59295958	Rotatable_Bond_Count	7
145679260	Total_Formal_Charge	0
94647	Non-hydrogen_Atom_Count	12
9570071	Hydrogen_Bond_Acceptor_Count	4
135442941	Structure_Complexity	529
68616	Structure_Complexity	428
14723648	Defined_Bond_Stereo_Count	0
34572	Defined_Bond_Stereo_Count	0
6433091	Undefined_Atom_Stereo_Count	2
92139	Defined_Bond_Stereo_Count	0
88729	XLogP3	3.9
6431301	Exact_Mass	194.130679813
8692	Undefined_Atom_Stereo_Count	1
44341259	Defined_Bond_Stereo_Count	0
21547072	Undefined_Atom_Stereo_Count	0
39234960	Hydrogen_Bond_Acceptor_Count	2
11048104	Structure_Complexity	467
13676	Hydrogen_Bond_Acceptor_Count	3
83996	TPSA	122
71894	Hydrogen_Bond_Acceptor_Count	4
10271800	TPSA	86.5
3624	Isotope_Atom_Count	0
10130120	Hydrogen_Bond_Donor_Count	2
46202743	Exact_Mass	439.18083850
57264323	Rotatable_Bond_Count	0
7915	Molecular_Weight	102.13
3791919	XLogP3-AA	0
12791421	Non-hydrogen_Atom_Count	8
101142583	Covalent_Unit_Count	1
73957	Non-hydrogen_Atom_Count	22
11175137	Undefined_Bond_Stereo_Count	0
15559706	Hydrogen_Bond_Donor_Count	0
10430	XLogP3	1.2
138621	Defined_Atom_Stereo_Count	0
60946	Structure_Complexity	579
5748352	Exact_Mass	892.5353131
135618542	Non-hydrogen_Atom_Count	41
145819	TPSA	55.7
54215450	Molecular_Weight	101.10
16726630	TPSA	86
14371531	Total_Formal_Charge	0
65280	Molecular_Weight	295.32
3766	Defined_Bond_Stereo_Count	0
22149470	Covalent_Unit_Count	1
5288382	Hydrogen_Bond_Acceptor_Count	9
6918191	Mono_Isotopic_Weight	324.0890221
67437	Exact_Mass	156.115029749
11169	Exact_Mass	296.07516538
23757	Rotatable_Bond_Count	4
73881	Undefined_Atom_Stereo_Count	0
11300765	Rotatable_Bond_Count	0
497377	Undefined_Bond_Stereo_Count	0
5268	Defined_Atom_Stereo_Count	0
5779	Undefined_Atom_Stereo_Count	1
49865859	Defined_Bond_Stereo_Count	0
146681110	Structure_Complexity	2010
545422	Defined_Bond_Stereo_Count	0
24751	TPSA	25.1
29083	Undefined_Bond_Stereo_Count	0
527256	Undefined_Atom_Stereo_Count	3
14552708	Non-hydrogen_Atom_Count	17
97523	Undefined_Atom_Stereo_Count	0
51987	Exact_Mass	274.98071
24180717	Undefined_Atom_Stereo_Count	0
13611196	Molecular_Weight	108.18
52905	Structure_Complexity	203
104881	XLogP3-AA	4.9
13574480	Isotope_Atom_Count	0
10407275	Total_Formal_Charge	0
49646	Tautomer_Count	1
91364344	TPSA	20.2
5281055	Mono_Isotopic_Weight	473.12567125
3464	Structure_Complexity	265
9963148	Mono_Isotopic_Weight	987.34845584
2745	Total_Formal_Charge	0
15222	Exact_Mass	253.204179104
53322382	Hydrogen_Bond_Acceptor_Count	4
45116669	Tautomer_Count	1
5081	TPSA	78.8
9803119	Isotope_Atom_Count	0
70499	Exact_Mass	143.131014166
16048558	Exact_Mass	230.094294304
20623556	Defined_Atom_Stereo_Count	0
292283	Undefined_Atom_Stereo_Count	0
5702690	Mono_Isotopic_Weight	497.90605924
167297	Undefined_Atom_Stereo_Count	2
24472	Defined_Atom_Stereo_Count	0
89055	Non-hydrogen_Atom_Count	13
21189113	Covalent_Unit_Count	1
246476	Structure_Complexity	496
1326	Total_Formal_Charge	0
3243927	XLogP3-AA	2.7
2435	Undefined_Bond_Stereo_Count	0
129897177	Defined_Bond_Stereo_Count	2
27648	Tautomer_Count	1
69698	Non-hydrogen_Atom_Count	11
657014	Structure_Complexity	185
1233	Defined_Bond_Stereo_Count	0
65628	Undefined_Bond_Stereo_Count	0
102504	Hydrogen_Bond_Donor_Count	2
17392	Defined_Bond_Stereo_Count	0
1479778	Undefined_Bond_Stereo_Count	0
344693	Exact_Mass	226.099379685
6539038	Defined_Atom_Stereo_Count	0
3776755	Total_Formal_Charge	1
101120059	Hydrogen_Bond_Donor_Count	0
14324	Isotope_Atom_Count	0
31243	Molecular_Weight	158.65
441358	Molecular_Weight	299.8
3032396	Hydrogen_Bond_Acceptor_Count	12
5226	Covalent_Unit_Count	1
25271781	Molecular_Weight	326.5
3797915	Hydrogen_Bond_Acceptor_Count	1
139254656	Hydrogen_Bond_Acceptor_Count	4
15942852	Undefined_Atom_Stereo_Count	2
134694392	Undefined_Atom_Stereo_Count	2
30137	Undefined_Bond_Stereo_Count	0
13739752	Undefined_Bond_Stereo_Count	0
40466988	Hydrogen_Bond_Acceptor_Count	7
80416	Covalent_Unit_Count	2
165857173	Hydrogen_Bond_Donor_Count	0
436520	XLogP3-AA	8.7
21789	Rotatable_Bond_Count	1
3507056	Hydrogen_Bond_Acceptor_Count	5
135544356	Hydrogen_Bond_Acceptor_Count	16
24254	Exact_Mass	208.125200510
139179563	TPSA	18.5
45479834	Total_Formal_Charge	0
899	Molecular_Weight	221.21
57461922	Hydrogen_Bond_Acceptor_Count	2
92233	TPSA	53.3
5464110	Covalent_Unit_Count	2
10171348	Defined_Atom_Stereo_Count	0
448925	Hydrogen_Bond_Acceptor_Count	11
1698	Undefined_Bond_Stereo_Count	0
57345410	Total_Formal_Charge	0
23080859	Hydrogen_Bond_Donor_Count	1
91267	Hydrogen_Bond_Donor_Count	1
44392137	Structure_Complexity	820
107196	Structure_Complexity	52.5
14859157	Undefined_Bond_Stereo_Count	0
11229455	Structure_Complexity	101
8775	Molecular_Weight	366.08
89456730	Hydrogen_Bond_Acceptor_Count	2
556498	Undefined_Atom_Stereo_Count	4
135542556	Defined_Atom_Stereo_Count	2
71365	TPSA	137
2154	Defined_Bond_Stereo_Count	0
9919001	Structure_Complexity	507
27924	Hydrogen_Bond_Acceptor_Count	8
6604378	Hydrogen_Bond_Acceptor_Count	2
11971580	Defined_Atom_Stereo_Count	0
30529	Molecular_Weight	227.5
19907834	Defined_Atom_Stereo_Count	0
18200	XLogP3-AA	0.4
206693	Defined_Atom_Stereo_Count	0
3588	TPSA	118
6266	Isotope_Atom_Count	0
12200171	Covalent_Unit_Count	1
54360	Hydrogen_Bond_Acceptor_Count	3
6604893	Exact_Mass	244.08120465
91468768	Undefined_Atom_Stereo_Count	5
16401027	Non-hydrogen_Atom_Count	20
6433082	Rotatable_Bond_Count	10
9800555	Defined_Bond_Stereo_Count	1
133126830	Covalent_Unit_Count	1
16564	TPSA	82.9
37918	Rotatable_Bond_Count	4
55286731	Undefined_Bond_Stereo_Count	0
22108	Undefined_Atom_Stereo_Count	0
100472	Total_Formal_Charge	0
14799282	Defined_Atom_Stereo_Count	0
135413508	Non-hydrogen_Atom_Count	81
126686768	Covalent_Unit_Count	1
133662561	Molecular_Weight	182.14
167845	Mono_Isotopic_Weight	223.93009
5287620	Total_Formal_Charge	0
9514	Total_Formal_Charge	0
21792546	Rotatable_Bond_Count	4
5464190	Undefined_Bond_Stereo_Count	0
11510567	Defined_Bond_Stereo_Count	0
594397	XLogP3-AA	1.6
24823847	Total_Formal_Charge	0
11055399	Undefined_Bond_Stereo_Count	0
16211417	Hydrogen_Bond_Donor_Count	0
3034393	Covalent_Unit_Count	1
193581	Isotope_Atom_Count	0
10898638	Hydrogen_Bond_Acceptor_Count	1
20883	Defined_Bond_Stereo_Count	0
53728	Defined_Bond_Stereo_Count	0
13814	Isotope_Atom_Count	0
56927704	Non-hydrogen_Atom_Count	53
135434844	Total_Formal_Charge	0
88006	Mono_Isotopic_Weight	193.110278721
137249786	Covalent_Unit_Count	1
24183644	Undefined_Atom_Stereo_Count	0
36688137	Hydrogen_Bond_Acceptor_Count	2
19262	Covalent_Unit_Count	1
12599352	Defined_Atom_Stereo_Count	0
378443	Defined_Atom_Stereo_Count	0
7321	Total_Formal_Charge	0
20949	Hydrogen_Bond_Donor_Count	1
964	Hydrogen_Bond_Donor_Count	2
47750	Hydrogen_Bond_Acceptor_Count	6
65482	Hydrogen_Bond_Donor_Count	6
25654	Exact_Mass	389.16991885
23284	XLogP3-AA	4.7
6441388	TPSA	127
127516	Tautomer_Count	9
267	Structure_Complexity	2440
249187	Hydrogen_Bond_Acceptor_Count	10
71541098	Molecular_Weight	256.17
4205037	TPSA	74.8
12878836	Total_Formal_Charge	0
15600	Covalent_Unit_Count	1
95182	Non-hydrogen_Atom_Count	33
90643	Structure_Complexity	372
78819	Rotatable_Bond_Count	5
6537505	Hydrogen_Bond_Acceptor_Count	3
504571	Hydrogen_Bond_Donor_Count	1
77801	Defined_Bond_Stereo_Count	0
7020094	Molecular_Weight	270.24
70579	Exact_Mass	421.92576
10453145	XLogP3-AA	3.8
6918235	Undefined_Bond_Stereo_Count	0
91071011	Non-hydrogen_Atom_Count	29
69995962	Non-hydrogen_Atom_Count	6
20279	Rotatable_Bond_Count	2
103535	Covalent_Unit_Count	1
708625	Defined_Bond_Stereo_Count	0
90916291	Non-hydrogen_Atom_Count	6
114612	Undefined_Atom_Stereo_Count	0
6520	Undefined_Atom_Stereo_Count	0
5767	Total_Formal_Charge	0
62705859	Molecular_Weight	457.4
63096	Isotope_Atom_Count	0
71449859	Covalent_Unit_Count	1
329061	Structure_Complexity	72.8
19871	Hydrogen_Bond_Donor_Count	1
78607	XLogP3-AA	1.2
5284380	Defined_Atom_Stereo_Count	4
87357201	Covalent_Unit_Count	2
64048	Undefined_Atom_Stereo_Count	0
124328800	Covalent_Unit_Count	1
86359	Hydrogen_Bond_Acceptor_Count	0
5280981	Defined_Atom_Stereo_Count	0
72015	Undefined_Atom_Stereo_Count	0
5392	Total_Formal_Charge	0
4092621	Non-hydrogen_Atom_Count	15
105	Hydrogen_Bond_Acceptor_Count	7
550642	Mono_Isotopic_Weight	112.088815002
102590130	Total_Formal_Charge	0
71463602	Structure_Complexity	1260
16736529	Molecular_Weight	318.76
91986	Mono_Isotopic_Weight	187.9795702
979	TPSA	74.6
56955071	Molecular_Weight	339.4
52947103	Total_Formal_Charge	0
55284122	Hydrogen_Bond_Acceptor_Count	2
13538	Isotope_Atom_Count	0
70111	Defined_Atom_Stereo_Count	0
4343483	Mono_Isotopic_Weight	109.9926871
26462	Total_Formal_Charge	0
53232	Rotatable_Bond_Count	7
79632	TPSA	216
29976098	Structure_Complexity	596
20056587	Undefined_Bond_Stereo_Count	0
136873	Mono_Isotopic_Weight	99.068413911
28754	Tautomer_Count	1
14263	Rotatable_Bond_Count	0
21924868	Undefined_Atom_Stereo_Count	7
163628725	Undefined_Atom_Stereo_Count	1
45488107	Covalent_Unit_Count	1
31353	Rotatable_Bond_Count	7
21534	Non-hydrogen_Atom_Count	6
46325	XLogP3-AA	2.2
40826	Hydrogen_Bond_Acceptor_Count	4
11592	Covalent_Unit_Count	1
22164	Molecular_Weight	208.26
3057	Undefined_Bond_Stereo_Count	0
91348407	Covalent_Unit_Count	1
217048	Rotatable_Bond_Count	12
75496	Tautomer_Count	1
10176216	Non-hydrogen_Atom_Count	4
68783	Exact_Mass	328.20384475
401	Non-hydrogen_Atom_Count	7
75577315	Defined_Atom_Stereo_Count	0
44267026	Rotatable_Bond_Count	4
6925	Undefined_Bond_Stereo_Count	0
96291	Structure_Complexity	86.9
573612	Undefined_Bond_Stereo_Count	0
6914273	Mono_Isotopic_Weight	314.06511943
45358040	Undefined_Bond_Stereo_Count	0
45356890	Mono_Isotopic_Weight	352.1012268
181976	Isotope_Atom_Count	0
657014	Non-hydrogen_Atom_Count	11
49798507	Defined_Atom_Stereo_Count	0
71517699	Covalent_Unit_Count	1
12441297	Covalent_Unit_Count	1
16211214	Molecular_Weight	381.4
11539235	Undefined_Atom_Stereo_Count	1
16155603	Structure_Complexity	4430
33874	Defined_Bond_Stereo_Count	0
27447	XLogP3	0.6
16759993	Rotatable_Bond_Count	4
57261612	Structure_Complexity	89.7
55290736	Molecular_Weight	97.16
81058	Hydrogen_Bond_Acceptor_Count	2
21124737	Non-hydrogen_Atom_Count	27
440068	Exact_Mass	434.24334058
86784	Defined_Atom_Stereo_Count	0
9898440	XLogP3-AA	7.5
3973230	Hydrogen_Bond_Acceptor_Count	2
51357128	Hydrogen_Bond_Acceptor_Count	7
67164	Structure_Complexity	34.5
88276	Structure_Complexity	169
47466	XLogP3-AA	4.3
57473238	Hydrogen_Bond_Donor_Count	1
11289	Rotatable_Bond_Count	6
518962	Undefined_Bond_Stereo_Count	0
9837916	Hydrogen_Bond_Acceptor_Count	3
206527	Total_Formal_Charge	0
39356	Hydrogen_Bond_Acceptor_Count	2
23925	TPSA	0
13653621	Molecular_Weight	420.5
700865	TPSA	72.1
135449281	Rotatable_Bond_Count	2
126975912	Undefined_Bond_Stereo_Count	0
62413	Covalent_Unit_Count	2
6786	Hydrogen_Bond_Donor_Count	0
12892799	TPSA	0
7861	TPSA	9.2
56471	XLogP3	0.9
10771356	Hydrogen_Bond_Acceptor_Count	14
69777	Hydrogen_Bond_Acceptor_Count	6
2775641	Undefined_Bond_Stereo_Count	0
2723715	Covalent_Unit_Count	3
5169	Covalent_Unit_Count	1
50587	Total_Formal_Charge	0
11953931	Undefined_Atom_Stereo_Count	1
3589	XLogP3-AA	4.3
4498243	Undefined_Bond_Stereo_Count	0
7746	Covalent_Unit_Count	1
146356470	Defined_Bond_Stereo_Count	0
9819350	XLogP3-AA	3.8
3386	Isotope_Atom_Count	0
68056645	XLogP3-AA	1.3
47510	Non-hydrogen_Atom_Count	16
522354	Undefined_Atom_Stereo_Count	0
73653998	XLogP3-AA	0.4
3727	Total_Formal_Charge	0
9010	Hydrogen_Bond_Acceptor_Count	9
50360	Exact_Mass	213.078978594
9604653	Undefined_Atom_Stereo_Count	0
19662	Isotope_Atom_Count	0
77935	Covalent_Unit_Count	1
137944176	Structure_Complexity	96.3
60121	Undefined_Atom_Stereo_Count	0
33344	Molecular_Weight	149.60
73707356	Mono_Isotopic_Weight	450.27298694
5462653	Total_Formal_Charge	0
140796896	Total_Formal_Charge	0
10892	XLogP3	2.2
54607635	TPSA	183
13464587	Undefined_Atom_Stereo_Count	0
535819	Total_Formal_Charge	0
8281	XLogP3	0.5
117214253	Defined_Bond_Stereo_Count	0
2724505	Undefined_Atom_Stereo_Count	0
139075087	Undefined_Atom_Stereo_Count	0
11065	Non-hydrogen_Atom_Count	22
10130120	Hydrogen_Bond_Acceptor_Count	5
55291451	Total_Formal_Charge	0
54111851	Total_Formal_Charge	0
12218432	Hydrogen_Bond_Donor_Count	1
527511	Hydrogen_Bond_Donor_Count	0
13485	Structure_Complexity	464
11358077	Total_Formal_Charge	0
5485201	Total_Formal_Charge	0
10788	Undefined_Bond_Stereo_Count	0
5485220	Non-hydrogen_Atom_Count	30
12743050	Structure_Complexity	121
29396	Non-hydrogen_Atom_Count	8
6380	Undefined_Bond_Stereo_Count	0
15088	Molecular_Weight	194.18
447234	Hydrogen_Bond_Acceptor_Count	4
153684851	Rotatable_Bond_Count	2
44183	Tautomer_Count	1
5315	Hydrogen_Bond_Donor_Count	3
91865076	TPSA	943
8050	Total_Formal_Charge	0
13946	XLogP3-AA	3.4
85531465	Exact_Mass	86.036779430
4619	Undefined_Atom_Stereo_Count	0
5284610	Mono_Isotopic_Weight	1084.47265329
25142310	TPSA	89
49865859	Rotatable_Bond_Count	5
57784275	Total_Formal_Charge	0
92089	Molecular_Weight	349.4
20752947	Covalent_Unit_Count	1
4262071	Defined_Bond_Stereo_Count	0
45026	Hydrogen_Bond_Donor_Count	3
23204	TPSA	0
14233	Non-hydrogen_Atom_Count	8
95162411	Isotope_Atom_Count	0
225161	Undefined_Atom_Stereo_Count	0
3187	Mono_Isotopic_Weight	359.21686904
32091	Structure_Complexity	537
5476374	Structure_Complexity	34.5
68322184	Exact_Mass	354.14920402
52165	Total_Formal_Charge	0
20996	XLogP3	8.5
16097	Covalent_Unit_Count	1
9808828	Hydrogen_Bond_Acceptor_Count	5
6951123	TPSA	49.3
48640	Covalent_Unit_Count	3
12393928	XLogP3-AA	1.3
72589	Total_Formal_Charge	0
165074	TPSA	0
20205172	Total_Formal_Charge	0
1331	Exact_Mass	282.09728894
18004304	Hydrogen_Bond_Acceptor_Count	3
24180972	Isotope_Atom_Count	0
49427	Non-hydrogen_Atom_Count	22
403802	Undefined_Bond_Stereo_Count	0
51030053	Total_Formal_Charge	0
11589590	Isotope_Atom_Count	0
69049742	Total_Formal_Charge	0
601898	Non-hydrogen_Atom_Count	18
55299417	Hydrogen_Bond_Acceptor_Count	0
11007841	TPSA	25.8
6437063	Undefined_Atom_Stereo_Count	0
48671	Isotope_Atom_Count	0
19223	Covalent_Unit_Count	1
24450	Non-hydrogen_Atom_Count	7
18728	Molecular_Weight	427.80
66038870	Structure_Complexity	102
5040	Undefined_Atom_Stereo_Count	15
9385	Isotope_Atom_Count	0
248271	XLogP3-AA	6.9
96160	Exact_Mass	69.057849228
2741	Defined_Bond_Stereo_Count	0
89390	Molecular_Weight	329.3
24848343	Structure_Complexity	289
24906321	Non-hydrogen_Atom_Count	29
53987564	Mono_Isotopic_Weight	117.042593085
122197581	Covalent_Unit_Count	1
1111	Non-hydrogen_Atom_Count	55
53881088	TPSA	57.9
3536595	Undefined_Bond_Stereo_Count	0
68636556	Covalent_Unit_Count	1
23691965	Hydrogen_Bond_Acceptor_Count	3
6539029	Undefined_Bond_Stereo_Count	0
67375395	XLogP3-AA	2.8
8053	Tautomer_Count	1
11374717	Defined_Atom_Stereo_Count	1
547696	Non-hydrogen_Atom_Count	7
285886	Exact_Mass	284.120115130
34533	Structure_Complexity	255
6917674	Covalent_Unit_Count	1
256347	Defined_Bond_Stereo_Count	0
15133	Hydrogen_Bond_Donor_Count	2
54585738	Hydrogen_Bond_Acceptor_Count	4
122235961	Undefined_Atom_Stereo_Count	2
11497646	Isotope_Atom_Count	0
114690178	Molecular_Weight	107.11
40473182	Isotope_Atom_Count	0
9247	Isotope_Atom_Count	0
10305301	Molecular_Weight	677.7
59882246	XLogP3-AA	0.2
140249	Defined_Bond_Stereo_Count	0
9835049	Undefined_Bond_Stereo_Count	0
49849523	Hydrogen_Bond_Donor_Count	1
5288706	Isotope_Atom_Count	0
123208701	Defined_Atom_Stereo_Count	0
1805	TPSA	141
1516	Hydrogen_Bond_Donor_Count	3
520942	TPSA	9.2
4619	Defined_Atom_Stereo_Count	0
139588352	Rotatable_Bond_Count	12
78002	Isotope_Atom_Count	0
71671	Structure_Complexity	255
22986754	Mono_Isotopic_Weight	112.088815002
7257	XLogP3	2.7
6419902	Covalent_Unit_Count	3
149434	Covalent_Unit_Count	1
12463393	Hydrogen_Bond_Donor_Count	2
85475	Structure_Complexity	238
13181	Rotatable_Bond_Count	3
129848667	Defined_Atom_Stereo_Count	0
11432307	Structure_Complexity	777
53167	Rotatable_Bond_Count	0
12542141	TPSA	17.1
254598	Undefined_Bond_Stereo_Count	0
88898	Rotatable_Bond_Count	0
111509	Defined_Bond_Stereo_Count	0
8715	Structure_Complexity	97.1
155032	Mono_Isotopic_Weight	407.0562682
23532160	Structure_Complexity	94.5
10350561	Mono_Isotopic_Weight	841.44598505
8012	Molecular_Weight	90.19
25147683	Tautomer_Count	1
58981134	Defined_Atom_Stereo_Count	0
6323236	TPSA	161
11497646	Defined_Bond_Stereo_Count	0
106823823	Defined_Bond_Stereo_Count	0
5523	TPSA	32.7
7915	Tautomer_Count	1
50912739	Structure_Complexity	3140
2618	TPSA	235
139078414	Total_Formal_Charge	0
6992788	Undefined_Bond_Stereo_Count	0
11245700	Hydrogen_Bond_Donor_Count	1
22264	Hydrogen_Bond_Donor_Count	3
11973	TPSA	201
3000715	Rotatable_Bond_Count	4
166775	Rotatable_Bond_Count	13
69079	Covalent_Unit_Count	1
135565472	Hydrogen_Bond_Acceptor_Count	7
3158	Defined_Atom_Stereo_Count	0
11149862	Rotatable_Bond_Count	3
129689816	Total_Formal_Charge	0
530132	Molecular_Weight	217.34
595161	XLogP3-AA	1.7
4178022	Isotope_Atom_Count	0
13662384	Undefined_Bond_Stereo_Count	0
13652	Hydrogen_Bond_Donor_Count	0
87187677	Covalent_Unit_Count	1
637996	Hydrogen_Bond_Donor_Count	0
66112	Defined_Bond_Stereo_Count	0
72	Tautomer_Count	10
520362	XLogP3-AA	2.6
3029326	Isotope_Atom_Count	0
17960143	Structure_Complexity	70
88705	XLogP3-AA	2.4
53670643	TPSA	72.2
67330085	TPSA	169
5464190	Undefined_Atom_Stereo_Count	0
9746	Defined_Bond_Stereo_Count	0
5310969	Undefined_Bond_Stereo_Count	0
9432	Isotope_Atom_Count	0
16661549	Total_Formal_Charge	0
147007373	Hydrogen_Bond_Acceptor_Count	1
5944	Exact_Mass	196.07355886
135417349	Defined_Bond_Stereo_Count	2
123816513	Hydrogen_Bond_Donor_Count	1
315165	Hydrogen_Bond_Donor_Count	1
19382908	Rotatable_Bond_Count	2
21680724	Undefined_Bond_Stereo_Count	0
9956222	Non-hydrogen_Atom_Count	35
900090	Defined_Bond_Stereo_Count	0
13019077	Exact_Mass	416.32904526
9005	Rotatable_Bond_Count	3
160230029	Non-hydrogen_Atom_Count	8
65039	Mono_Isotopic_Weight	378.12494298
9861	Rotatable_Bond_Count	17
5076	Undefined_Bond_Stereo_Count	0
11880	Rotatable_Bond_Count	1
79865794	Exact_Mass	112.088815002
66711	Exact_Mass	238.134422523
1449	Defined_Atom_Stereo_Count	0
92279	Undefined_Atom_Stereo_Count	0
57461922	Undefined_Bond_Stereo_Count	0
13297684	Covalent_Unit_Count	1
4551	Undefined_Bond_Stereo_Count	0
16005262	Non-hydrogen_Atom_Count	7
48920	Undefined_Atom_Stereo_Count	0
57519510	Exact_Mass	490.22295748
3874	Defined_Atom_Stereo_Count	0
46830489	XLogP3-AA	4.7
142	Covalent_Unit_Count	1
22320	Isotope_Atom_Count	0
88212048	Mono_Isotopic_Weight	118.062994177
24478	Isotope_Atom_Count	0
157727	Undefined_Atom_Stereo_Count	0
95456	Undefined_Bond_Stereo_Count	0
9421	Non-hydrogen_Atom_Count	28
135438121	Tautomer_Count	5
4911	TPSA	83.1
44593434	Rotatable_Bond_Count	4
102234473	Defined_Bond_Stereo_Count	0
67978393	Isotope_Atom_Count	0
16214946	Structure_Complexity	759
13082553	Defined_Atom_Stereo_Count	0
34574	Exact_Mass	241.085126602
4142809	Hydrogen_Bond_Donor_Count	2
312915	Total_Formal_Charge	0
67955	Total_Formal_Charge	0
25262965	Molecular_Weight	465.5
75530316	Molecular_Weight	511.6
220401	TPSA	66
85608271	Non-hydrogen_Atom_Count	8
28768	Undefined_Atom_Stereo_Count	0
439246	Isotope_Atom_Count	0
914	Hydrogen_Bond_Acceptor_Count	3
631779	Defined_Bond_Stereo_Count	0
54676537	Undefined_Atom_Stereo_Count	1
57280823	Non-hydrogen_Atom_Count	7
4635	Defined_Atom_Stereo_Count	0
76971016	TPSA	272
54166403	Covalent_Unit_Count	1
920	Defined_Bond_Stereo_Count	0
129861481	Undefined_Bond_Stereo_Count	0
15561185	XLogP3-AA	8.8
10246418	Isotope_Atom_Count	0
17865	Structure_Complexity	214
52940549	Exact_Mass	680.37717722
62478	Non-hydrogen_Atom_Count	11
145562	Non-hydrogen_Atom_Count	4
60196269	TPSA	182
105093	Molecular_Weight	196.96657
17242	Rotatable_Bond_Count	9
69270	TPSA	46.3
5459844	Hydrogen_Bond_Donor_Count	1
82650946	Exact_Mass	115.063328530
55264361	Mono_Isotopic_Weight	99.068413911
135407187	Structure_Complexity	354
9853710	Molecular_Weight	774.9
16005120	Hydrogen_Bond_Donor_Count	1
193972	Tautomer_Count	2
65409	Exact_Mass	324.89063
5289320	Mono_Isotopic_Weight	387.17289623
950975	Isotope_Atom_Count	0
6588	Rotatable_Bond_Count	1
31315	Undefined_Bond_Stereo_Count	0
667483	Hydrogen_Bond_Acceptor_Count	3
136305444	Total_Formal_Charge	0
54688	Hydrogen_Bond_Donor_Count	4
192627	Molecular_Weight	289.33
7225	Mono_Isotopic_Weight	133.052763847
135762717	Undefined_Bond_Stereo_Count	0
85904472	Hydrogen_Bond_Acceptor_Count	0
70220	XLogP3-AA	1.8
6432418	Defined_Bond_Stereo_Count	0
5224	TPSA	214
6433115	XLogP3-AA	2.9
17016	Non-hydrogen_Atom_Count	10
136750	Undefined_Bond_Stereo_Count	0
103032	Undefined_Atom_Stereo_Count	1
81391	Hydrogen_Bond_Acceptor_Count	4
16134956	Exact_Mass	3749.9498161
33134	Isotope_Atom_Count	0
573612	Undefined_Atom_Stereo_Count	0
9883933	Total_Formal_Charge	0
123237074	TPSA	20.2
36209	Hydrogen_Bond_Acceptor_Count	0
102093221	Undefined_Atom_Stereo_Count	0
30140	Non-hydrogen_Atom_Count	10
87815038	Undefined_Atom_Stereo_Count	0
46878477	Covalent_Unit_Count	1
54136480	Exact_Mass	118.062994177
8168	Rotatable_Bond_Count	11
6603720	Tautomer_Count	4
10662	Undefined_Atom_Stereo_Count	0
131698851	Rotatable_Bond_Count	10
101707094	Molecular_Weight	66.10
13574952	Rotatable_Bond_Count	1
98306	Rotatable_Bond_Count	2
23255624	Defined_Atom_Stereo_Count	3
74441105	Isotope_Atom_Count	0
20787	Undefined_Atom_Stereo_Count	0
117957810	Covalent_Unit_Count	1
114961	TPSA	127
58890069	Undefined_Bond_Stereo_Count	0
73415770	Defined_Bond_Stereo_Count	0
3085168	Exact_Mass	562.21444394
62010	Mono_Isotopic_Weight	101.084063974
2351	Structure_Complexity	382
123659755	Structure_Complexity	72.5
23585071	Undefined_Bond_Stereo_Count	0
5382	Tautomer_Count	1
50989726	Mono_Isotopic_Weight	97.089149355
644113	Molecular_Weight	363.2
129009953	Exact_Mass	213.0750129
112412	Total_Formal_Charge	0
10162630	Undefined_Atom_Stereo_Count	0
23377620	Isotope_Atom_Count	0
86305	Covalent_Unit_Count	1
139243813	Undefined_Bond_Stereo_Count	0
227260	XLogP3-AA	2.2
53323075	Hydrogen_Bond_Acceptor_Count	8
85768913	Mono_Isotopic_Weight	95.073499291
23662389	Mono_Isotopic_Weight	361.03445057
142106	Structure_Complexity	124
420	XLogP3-AA	8.3
3038501	Mono_Isotopic_Weight	333.13247072
159977	Exact_Mass	297.15896025
11993	Total_Formal_Charge	0
80642	Tautomer_Count	1
21679899	Molecular_Weight	98.14
104903	Rotatable_Bond_Count	6
22264	Non-hydrogen_Atom_Count	27
13788048	Structure_Complexity	520
3016	Undefined_Atom_Stereo_Count	0
12201381	Undefined_Atom_Stereo_Count	0
38895	Tautomer_Count	1
13082758	Defined_Atom_Stereo_Count	0
81832	Tautomer_Count	3
71308751	Hydrogen_Bond_Acceptor_Count	16
44258	Defined_Atom_Stereo_Count	0
24917008	Covalent_Unit_Count	1
44392105	Total_Formal_Charge	0
9183	Defined_Bond_Stereo_Count	0
3718378	Rotatable_Bond_Count	0
13867124	Undefined_Bond_Stereo_Count	0
7060	Undefined_Bond_Stereo_Count	0
12023	Isotope_Atom_Count	0
17705	Covalent_Unit_Count	1
13146993	Defined_Atom_Stereo_Count	0
8210	XLogP3	1.9
3516	Undefined_Bond_Stereo_Count	0
9280	Rotatable_Bond_Count	4
14520	Undefined_Bond_Stereo_Count	0
118451841	Rotatable_Bond_Count	0
2249	Non-hydrogen_Atom_Count	19
148573599	Undefined_Atom_Stereo_Count	0
61508	Isotope_Atom_Count	0
21868057	Isotope_Atom_Count	0
994627	Non-hydrogen_Atom_Count	27
202	Defined_Bond_Stereo_Count	0
27932	Defined_Atom_Stereo_Count	0
5370611	Structure_Complexity	303
61041	Exact_Mass	150.104465066
643774	Rotatable_Bond_Count	0
145391309	Covalent_Unit_Count	1
12132	Hydrogen_Bond_Acceptor_Count	1
124019740	Undefined_Bond_Stereo_Count	0
62725	Undefined_Atom_Stereo_Count	0
136216662	Isotope_Atom_Count	0
23708	Structure_Complexity	1770
56987624	XLogP3-AA	0.4
9872438	Defined_Atom_Stereo_Count	0
10788	Undefined_Atom_Stereo_Count	0
37768	Isotope_Atom_Count	0
18656	Total_Formal_Charge	0
17534	Tautomer_Count	1
61293	Non-hydrogen_Atom_Count	11
83335	Rotatable_Bond_Count	2
67128140	Hydrogen_Bond_Acceptor_Count	4
6850791	Isotope_Atom_Count	0
5415	Hydrogen_Bond_Donor_Count	7
14819	Rotatable_Bond_Count	0
75197	Hydrogen_Bond_Acceptor_Count	4
6937	Mono_Isotopic_Weight	164.120115130
14815788	Total_Formal_Charge	0
17825268	Rotatable_Bond_Count	3
5460326	XLogP3-AA	2.3
8147	Undefined_Atom_Stereo_Count	0
56627	Undefined_Atom_Stereo_Count	1
151446	Undefined_Atom_Stereo_Count	1
13270940	Hydrogen_Bond_Acceptor_Count	1
6931310	Molecular_Weight	268.33
3246941	Isotope_Atom_Count	0
60814	Total_Formal_Charge	0
418296	Total_Formal_Charge	0
21455617	Undefined_Atom_Stereo_Count	0
91772	Non-hydrogen_Atom_Count	26
12394645	Rotatable_Bond_Count	0
444450	Hydrogen_Bond_Acceptor_Count	10
19031167	Exact_Mass	101.120449483
58817179	XLogP3-AA	2.9
72589	Isotope_Atom_Count	0
62662	Rotatable_Bond_Count	0
12656387	Rotatable_Bond_Count	0
6418362	Molecular_Weight	287.32
716121	Undefined_Atom_Stereo_Count	0
2193	Isotope_Atom_Count	0
44183569	TPSA	168
133662560	TPSA	110
3061720	Molecular_Weight	276.76
1212	Rotatable_Bond_Count	3
21336	Structure_Complexity	236
6918457	Hydrogen_Bond_Acceptor_Count	7
96356	Covalent_Unit_Count	1
5281521	Hydrogen_Bond_Acceptor_Count	1
21019	XLogP3-AA	1.8
45266908	Non-hydrogen_Atom_Count	46
53325875	Hydrogen_Bond_Acceptor_Count	6
153913521	Hydrogen_Bond_Acceptor_Count	2
94834	Rotatable_Bond_Count	0
12961638	Hydrogen_Bond_Acceptor_Count	5
24997747	Undefined_Atom_Stereo_Count	0
70978	XLogP3-AA	1
9883778	Hydrogen_Bond_Donor_Count	2
132935795	Exact_Mass	199.10308534
54084075	Undefined_Atom_Stereo_Count	0
72182	Defined_Bond_Stereo_Count	0
5284650	Mono_Isotopic_Weight	196.088815002
302	Hydrogen_Bond_Acceptor_Count	5
23567810	Structure_Complexity	111
10685477	Non-hydrogen_Atom_Count	22
14923	Hydrogen_Bond_Donor_Count	2
3803614	Defined_Bond_Stereo_Count	0
104522	Undefined_Atom_Stereo_Count	0
23663976	Mono_Isotopic_Weight	433.16653072
154183660	Defined_Bond_Stereo_Count	0
634	Undefined_Atom_Stereo_Count	3
5248373	Covalent_Unit_Count	1
56654130	Undefined_Bond_Stereo_Count	0
619387	Defined_Bond_Stereo_Count	0
67513158	TPSA	26.3
63449	Hydrogen_Bond_Donor_Count	2
62327	Tautomer_Count	5
1470839	Non-hydrogen_Atom_Count	20
20517187	Defined_Bond_Stereo_Count	0
16197725	Defined_Atom_Stereo_Count	60
29976	Undefined_Bond_Stereo_Count	0
126456023	Undefined_Bond_Stereo_Count	0
15266847	Molecular_Weight	113.11
10996	XLogP3-AA	1.3
58701785	Hydrogen_Bond_Acceptor_Count	8
135459645	Undefined_Bond_Stereo_Count	2
118499237	TPSA	43.4
76449347	Defined_Atom_Stereo_Count	0
5375785	Hydrogen_Bond_Donor_Count	0
67241466	Non-hydrogen_Atom_Count	26
11180	Exact_Mass	350.143551
14581	Non-hydrogen_Atom_Count	15
444590	Rotatable_Bond_Count	18
33	Isotope_Atom_Count	0
2775641	Defined_Atom_Stereo_Count	0
360154	Isotope_Atom_Count	0
135408964	Hydrogen_Bond_Donor_Count	1
22280261	Rotatable_Bond_Count	1
68663	Defined_Atom_Stereo_Count	0
12264	Undefined_Bond_Stereo_Count	0
156592279	TPSA	145
21522	Non-hydrogen_Atom_Count	17
561376	Isotope_Atom_Count	0
2723854	Isotope_Atom_Count	0
234	Total_Formal_Charge	0
9282	Structure_Complexity	1180
163325	Non-hydrogen_Atom_Count	6
182645	Hydrogen_Bond_Donor_Count	1
125286695	Covalent_Unit_Count	1
91805671	TPSA	9.2
21411178	Hydrogen_Bond_Acceptor_Count	4
25162926	Defined_Bond_Stereo_Count	0
56845689	Undefined_Atom_Stereo_Count	1
875202	Defined_Atom_Stereo_Count	0
51340308	Hydrogen_Bond_Donor_Count	1
122623	Non-hydrogen_Atom_Count	24
8528	Molecular_Weight	335.4
74242	Structure_Complexity	175
6436055	Covalent_Unit_Count	1
157684	Exact_Mass	825.3868268
45052197	Hydrogen_Bond_Acceptor_Count	0
20394923	TPSA	46.2
75057	Isotope_Atom_Count	0
44338763	Defined_Bond_Stereo_Count	0
32326	Total_Formal_Charge	0
54120990	Molecular_Weight	112.09
642197	TPSA	0
8878	Total_Formal_Charge	0
11045	Undefined_Atom_Stereo_Count	0
21560064	Non-hydrogen_Atom_Count	8
21843641	TPSA	12
9900	Defined_Atom_Stereo_Count	0
49792792	Molecular_Weight	358.5
91980486	Covalent_Unit_Count	2
18795105	Isotope_Atom_Count	0
13265823	Structure_Complexity	185
24181457	Covalent_Unit_Count	2
14743344	TPSA	51.8
3017295	Structure_Complexity	110
9835049	Undefined_Atom_Stereo_Count	0
2539	Mono_Isotopic_Weight	510.16383041
191101	Defined_Bond_Stereo_Count	0
91683	Non-hydrogen_Atom_Count	22
9899402	Undefined_Atom_Stereo_Count	0
9895035	Isotope_Atom_Count	0
14079973	Undefined_Atom_Stereo_Count	1
10887868	Isotope_Atom_Count	0
289460	Exact_Mass	228.09324893
7201	Undefined_Atom_Stereo_Count	0
60165517	Rotatable_Bond_Count	5
46830239	Isotope_Atom_Count	0
553	Isotope_Atom_Count	0
64658	Covalent_Unit_Count	2
78904	Defined_Atom_Stereo_Count	0
517348	Hydrogen_Bond_Acceptor_Count	2
72038	XLogP3-AA	2.9
56659408	Structure_Complexity	615
524211	Mono_Isotopic_Weight	106.078250319
4282864	Exact_Mass	868.02333415
64992139	Hydrogen_Bond_Donor_Count	1
53436345	Non-hydrogen_Atom_Count	7
135516356	Hydrogen_Bond_Acceptor_Count	6
91820610	Hydrogen_Bond_Acceptor_Count	3
93012	Rotatable_Bond_Count	5
16270	Mono_Isotopic_Weight	112.125200510
868031	Total_Formal_Charge	0
16129809	Exact_Mass	1131.32532709
1716	Total_Formal_Charge	0
14546681	Defined_Atom_Stereo_Count	0
11219835	TPSA	76.2
24906119	XLogP3-AA	2.8
6989253	Undefined_Bond_Stereo_Count	0
219704	Hydrogen_Bond_Donor_Count	1
7646	Non-hydrogen_Atom_Count	13
78630	TPSA	25.8
137909	Defined_Bond_Stereo_Count	0
56955180	Covalent_Unit_Count	1
5324108	Undefined_Atom_Stereo_Count	0
69333963	Hydrogen_Bond_Acceptor_Count	2
64927	Defined_Bond_Stereo_Count	0
53462828	Structure_Complexity	822
20933	Isotope_Atom_Count	0
78704	Undefined_Bond_Stereo_Count	0
2733514	Covalent_Unit_Count	1
45280821	Covalent_Unit_Count	1
153373905	Hydrogen_Bond_Donor_Count	0
95705	Mono_Isotopic_Weight	170.06914219
17604	Undefined_Atom_Stereo_Count	0
68682560	Undefined_Atom_Stereo_Count	0
1246	Defined_Bond_Stereo_Count	0
139405	XLogP3-AA	0.8
13318273	Hydrogen_Bond_Donor_Count	0
54681623	XLogP3-AA	2.7
12316	Tautomer_Count	1
7792	Hydrogen_Bond_Donor_Count	1
154416437	Undefined_Atom_Stereo_Count	2
24199313	Undefined_Bond_Stereo_Count	0
201	Exact_Mass	654.38142824
148201	Covalent_Unit_Count	1
23480	Hydrogen_Bond_Donor_Count	1
10887834	Undefined_Atom_Stereo_Count	0
73170	Non-hydrogen_Atom_Count	31
31295	Total_Formal_Charge	0
15774823	Structure_Complexity	106
138122	Hydrogen_Bond_Donor_Count	1
66879	XLogP3-AA	1.8
135566069	Molecular_Weight	1569.7
147614	Exact_Mass	130.110613074
2864	TPSA	108
87505	Total_Formal_Charge	1
208841	Undefined_Atom_Stereo_Count	0
147285	Isotope_Atom_Count	0
85743571	Structure_Complexity	101
11569158	Mono_Isotopic_Weight	477.1567673
53674	Structure_Complexity	328
71727581	Molecular_Weight	440.9
652019	Undefined_Atom_Stereo_Count	1
9285	Tautomer_Count	1
12682631	Exact_Mass	113.058911855
16402	Hydrogen_Bond_Donor_Count	2
91471800	Undefined_Atom_Stereo_Count	0
142107	TPSA	20.2
1667	Hydrogen_Bond_Acceptor_Count	5
19386566	Isotope_Atom_Count	0
19438038	Isotope_Atom_Count	0
6950	Undefined_Atom_Stereo_Count	1
20387231	Covalent_Unit_Count	1
22390912	Isotope_Atom_Count	0
3286	Non-hydrogen_Atom_Count	19
10351178	Covalent_Unit_Count	1
5535	TPSA	378
20387216	Hydrogen_Bond_Donor_Count	0
5034	Exact_Mass	520.79460
6433154	TPSA	43.4
10251906	XLogP3-AA	3.8
22645860	Molecular_Weight	98.10
10090285	Covalent_Unit_Count	1
69311	Mono_Isotopic_Weight	190.15689456
24229456	Defined_Atom_Stereo_Count	0
25273215	TPSA	52.8
837	Structure_Complexity	405
16987	Defined_Atom_Stereo_Count	0
413525	Mono_Isotopic_Weight	286.1236763
2745	Undefined_Atom_Stereo_Count	5
56678998	TPSA	89.4
23270355	Hydrogen_Bond_Donor_Count	1
87187677	Undefined_Atom_Stereo_Count	1
24744154	Defined_Bond_Stereo_Count	0
57104	Total_Formal_Charge	0
3237289	TPSA	66.1
163050677	Exact_Mass	284.16237386
6611744	Isotope_Atom_Count	0
5284373	Rotatable_Bond_Count	15
129634850	Rotatable_Bond_Count	1
28187	Tautomer_Count	1
66587017	Defined_Bond_Stereo_Count	0
15953353	Mono_Isotopic_Weight	446.19470727
82717	TPSA	115
131451243	Molecular_Weight	95.10
96066	Total_Formal_Charge	0
54471	Exact_Mass	321.0687196
56974851	Hydrogen_Bond_Acceptor_Count	3
1343	Molecular_Weight	226.19
278600	Non-hydrogen_Atom_Count	7
10138260	Rotatable_Bond_Count	6
13031981	Hydrogen_Bond_Acceptor_Count	2
21590468	Isotope_Atom_Count	0
11865459	XLogP3	2.9
5283381	XLogP3-AA	7.2
14663555	Defined_Atom_Stereo_Count	0
55290587	XLogP3-AA	0.6
14251035	Structure_Complexity	53.6
57073922	Undefined_Atom_Stereo_Count	1
64303	Molecular_Weight	377.9
5284648	Rotatable_Bond_Count	1
32169	Defined_Bond_Stereo_Count	0
131057	Hydrogen_Bond_Donor_Count	4
11865437	Isotope_Atom_Count	0
2303	Undefined_Atom_Stereo_Count	1
449369	Hydrogen_Bond_Donor_Count	2
3783514	Hydrogen_Bond_Acceptor_Count	3
5460029	Hydrogen_Bond_Donor_Count	4
142901	TPSA	17.1
9554198	Hydrogen_Bond_Acceptor_Count	3
12101	Defined_Bond_Stereo_Count	0
11953153	Molecular_Weight	489.4
14842942	Mono_Isotopic_Weight	202.99458
6495	Defined_Atom_Stereo_Count	0
19082215	TPSA	128
54366638	Hydrogen_Bond_Donor_Count	0
25202509	TPSA	216
5488345	Isotope_Atom_Count	0
11850983	Non-hydrogen_Atom_Count	17
14079973	Structure_Complexity	71.3
439791	Undefined_Bond_Stereo_Count	0
1201546	Undefined_Bond_Stereo_Count	0
13807316	Undefined_Bond_Stereo_Count	0
65910	Tautomer_Count	1
5361462	Tautomer_Count	2
145019560	TPSA	34
44125988	XLogP3-AA	2.6
18205	Covalent_Unit_Count	2
3702	Tautomer_Count	2
5307	Hydrogen_Bond_Donor_Count	3
5327131	Undefined_Atom_Stereo_Count	0
4666	Defined_Bond_Stereo_Count	0
21023677	Molecular_Weight	114.19
6777	Hydrogen_Bond_Donor_Count	0
57416910	Hydrogen_Bond_Acceptor_Count	3
7070	Total_Formal_Charge	0
61103	Tautomer_Count	1
123751374	Exact_Mass	1201.84136802
89578867	Non-hydrogen_Atom_Count	23
421876	Isotope_Atom_Count	0
1720	Hydrogen_Bond_Acceptor_Count	3
27991	Defined_Bond_Stereo_Count	0
817967	Undefined_Bond_Stereo_Count	0
1800	Exact_Mass	161.082721304
12309518	TPSA	45.6
16421	TPSA	96.4
123671769	Undefined_Atom_Stereo_Count	0
104745	Hydrogen_Bond_Donor_Count	0
2009	Non-hydrogen_Atom_Count	15
41744	TPSA	215
44134949	Isotope_Atom_Count	0
864	Molecular_Weight	206.3
3166	Defined_Atom_Stereo_Count	0
20751579	Exact_Mass	472.25331412
118208260	Undefined_Atom_Stereo_Count	0
4659568	TPSA	130
13785328	XLogP3-AA	3.6
750190	Defined_Atom_Stereo_Count	1
53683458	Non-hydrogen_Atom_Count	7
3083671	Non-hydrogen_Atom_Count	19
5360237	TPSA	293
66636	Undefined_Atom_Stereo_Count	0
20871316	Mono_Isotopic_Weight	112.088815002
134687906	Hydrogen_Bond_Acceptor_Count	16
158800	Undefined_Atom_Stereo_Count	0
33360	Exact_Mass	286.08749484
4914117	Undefined_Bond_Stereo_Count	0
108150	Total_Formal_Charge	0
117853562	Structure_Complexity	113
57090177	Covalent_Unit_Count	1
99748	Undefined_Atom_Stereo_Count	0
8506	Hydrogen_Bond_Donor_Count	2
164946899	Hydrogen_Bond_Donor_Count	3
5365552	Hydrogen_Bond_Acceptor_Count	0
6408	TPSA	0
57306415	Undefined_Atom_Stereo_Count	0
446871	Molecular_Weight	466.4
14964043	Non-hydrogen_Atom_Count	7
64107	TPSA	118
29778	TPSA	80.7
135392460	Rotatable_Bond_Count	0
25184541	Total_Formal_Charge	0
153921	Non-hydrogen_Atom_Count	30
6401	Tautomer_Count	1
5447	Undefined_Atom_Stereo_Count	0
18691	Rotatable_Bond_Count	3
129721137	Covalent_Unit_Count	1
57396625	TPSA	48.4
71887	Exact_Mass	248.12732577
25171648	Mono_Isotopic_Weight	492.22737416
17779928	Covalent_Unit_Count	1
21976318	XLogP3-AA	3.2
144416139	Rotatable_Bond_Count	1
26185	Molecular_Weight	238.24
11147674	Hydrogen_Bond_Donor_Count	1
244867	Total_Formal_Charge	0
3282	Exact_Mass	165.078978594
12940550	TPSA	40.5
22832	Rotatable_Bond_Count	10
339213	Undefined_Atom_Stereo_Count	0
23521244	Structure_Complexity	78
88850	Defined_Bond_Stereo_Count	0
16134956	Tautomer_Count	1000
165675	Undefined_Atom_Stereo_Count	0
77828	Undefined_Bond_Stereo_Count	0
49757967	XLogP3-AA	0.7
14094186	Exact_Mass	99.043261792
13625	Hydrogen_Bond_Acceptor_Count	2
154083	Rotatable_Bond_Count	2
135451156	Hydrogen_Bond_Acceptor_Count	3
21998683	Structure_Complexity	80.2
3092	Mono_Isotopic_Weight	225.03857033
10027781	Covalent_Unit_Count	1
104955	Hydrogen_Bond_Acceptor_Count	4
23077956	TPSA	68.2
706	Mono_Isotopic_Weight	382.13102722
145454105	Defined_Atom_Stereo_Count	3
65258	Isotope_Atom_Count	0
11459006	Undefined_Atom_Stereo_Count	0
11617	Undefined_Atom_Stereo_Count	0
9795	Molecular_Weight	191.11
6276645	Total_Formal_Charge	0
177120	Undefined_Bond_Stereo_Count	0
57123584	Mono_Isotopic_Weight	113.047678466
2507	Undefined_Atom_Stereo_Count	1
2734118	Hydrogen_Bond_Acceptor_Count	0
1451	Undefined_Bond_Stereo_Count	0
124723	Exact_Mass	128.058577502
8197	Defined_Atom_Stereo_Count	0
138026	Structure_Complexity	96.6
8003	Defined_Atom_Stereo_Count	0
87243	Undefined_Atom_Stereo_Count	0
53707229	Hydrogen_Bond_Donor_Count	0
122188	Hydrogen_Bond_Donor_Count	3
10698	Isotope_Atom_Count	0
3017	Hydrogen_Bond_Acceptor_Count	6
59809	Undefined_Atom_Stereo_Count	0
57053600	Mono_Isotopic_Weight	87.032028402
57395308	Molecular_Weight	616.7
71839	XLogP3-AA	0.5
4653	Isotope_Atom_Count	0
89708952	Exact_Mass	113.047678466
87646	Defined_Bond_Stereo_Count	0
6539005	Hydrogen_Bond_Acceptor_Count	7
88396	Hydrogen_Bond_Acceptor_Count	3
101461666	Exact_Mass	330.03191198
56955186	Covalent_Unit_Count	1
3055	Undefined_Bond_Stereo_Count	0
52654	Hydrogen_Bond_Donor_Count	0
12309465	Structure_Complexity	470
88578918	Molecular_Weight	101.15
16769	Rotatable_Bond_Count	5
70383887	Mono_Isotopic_Weight	110.073164938
5359272	Hydrogen_Bond_Donor_Count	1
103940	Defined_Atom_Stereo_Count	0
135121972	TPSA	96.4
121207282	Structure_Complexity	155
207292	Hydrogen_Bond_Acceptor_Count	1
21019405	Covalent_Unit_Count	1
77441779	Rotatable_Bond_Count	2
13170	Defined_Atom_Stereo_Count	0
709	XLogP3	1.5
135413525	Exact_Mass	241.09635999
25137901	Undefined_Bond_Stereo_Count	0
59867303	Exact_Mass	112.063662883
3688	TPSA	66.6
2209	Molecular_Weight	162.3
139145	Structure_Complexity	409
6733	Mono_Isotopic_Weight	230.094294304
9917	Tautomer_Count	1
13039	Defined_Atom_Stereo_Count	0
71485	Defined_Atom_Stereo_Count	9
65238	Covalent_Unit_Count	1
12980109	Covalent_Unit_Count	1
84072504	Defined_Atom_Stereo_Count	0
129677105	Covalent_Unit_Count	1
72199539	XLogP3-AA	4.4
44400351	Molecular_Weight	432.5
139243813	Defined_Atom_Stereo_Count	0
455	Undefined_Bond_Stereo_Count	0
7773	Covalent_Unit_Count	1
36565	Covalent_Unit_Count	1
2723733	Hydrogen_Bond_Acceptor_Count	11
104938	Mono_Isotopic_Weight	360.12677620
13559474	Isotope_Atom_Count	0
58270057	Isotope_Atom_Count	0
107947	Total_Formal_Charge	0
61583	Molecular_Weight	247.33
154059	Mono_Isotopic_Weight	362.199428076
91722674	XLogP3-AA	4.2
8911	Undefined_Atom_Stereo_Count	0
197856	Defined_Bond_Stereo_Count	0
12264	Undefined_Atom_Stereo_Count	0
23671691	Isotope_Atom_Count	0
6918454	TPSA	50.4
159324	Isotope_Atom_Count	0
97729	Total_Formal_Charge	0
6918140	Undefined_Bond_Stereo_Count	0
8267	Hydrogen_Bond_Acceptor_Count	4
13205839	Isotope_Atom_Count	0
5461012	Molecular_Weight	253.40
139073990	Exact_Mass	284.16237386
30072	Isotope_Atom_Count	0
59350891	XLogP3-AA	1.9
45116616	TPSA	46.2
91582439	Isotope_Atom_Count	0
12278591	Covalent_Unit_Count	1
61236	Defined_Atom_Stereo_Count	0
143682218	Hydrogen_Bond_Acceptor_Count	1
13539	Isotope_Atom_Count	0
68315	Defined_Atom_Stereo_Count	0
1470715	Defined_Bond_Stereo_Count	0
11974020	Hydrogen_Bond_Acceptor_Count	8
53765848	Defined_Bond_Stereo_Count	0
4055843	Exact_Mass	238.062994177
84623	Isotope_Atom_Count	0
11493598	Total_Formal_Charge	0
2455	Molecular_Weight	421.3
77603	Hydrogen_Bond_Acceptor_Count	2
54598431	Hydrogen_Bond_Acceptor_Count	4
11443029	Molecular_Weight	480.9
4199	Molecular_Weight	298.4
13401998	TPSA	21.3
5353424	Total_Formal_Charge	0
57384039	Mono_Isotopic_Weight	371.14945819
173548	Defined_Bond_Stereo_Count	0
3083540	Structure_Complexity	439
285725	Exact_Mass	110.048012819
21345781	Structure_Complexity	71.6
9847836	Total_Formal_Charge	0
91753565	Molecular_Weight	204.35
192435	Isotope_Atom_Count	0
4293	Defined_Atom_Stereo_Count	0
79790	Covalent_Unit_Count	1
13132266	Total_Formal_Charge	0
14200857	Undefined_Bond_Stereo_Count	0
44590447	Defined_Bond_Stereo_Count	0
146159752	Structure_Complexity	688
6436219	Structure_Complexity	634
137685	Hydrogen_Bond_Donor_Count	0
15529	Defined_Bond_Stereo_Count	0
3015798	TPSA	90.7
6025	Total_Formal_Charge	0
84623	Hydrogen_Bond_Donor_Count	0
22015260	Hydrogen_Bond_Donor_Count	0
1960	Undefined_Bond_Stereo_Count	0
582708	Undefined_Bond_Stereo_Count	0
11396	Exact_Mass	156.093900383
44456	Defined_Bond_Stereo_Count	0
11725766	Undefined_Bond_Stereo_Count	0
51030054	Hydrogen_Bond_Donor_Count	0
8942	Molecular_Weight	240.30
26398	Undefined_Atom_Stereo_Count	0
71221	Hydrogen_Bond_Donor_Count	1
10080320	Covalent_Unit_Count	1
15272297	Undefined_Atom_Stereo_Count	0
6326	Rotatable_Bond_Count	0
19962939	Undefined_Atom_Stereo_Count	0
260859	Mono_Isotopic_Weight	342.117352223
558148	Non-hydrogen_Atom_Count	7
44565778	Defined_Atom_Stereo_Count	0
4797	Isotope_Atom_Count	0
557171	Covalent_Unit_Count	1
3054073	Non-hydrogen_Atom_Count	5
53317992	Covalent_Unit_Count	1
134688323	Covalent_Unit_Count	1
287755	Hydrogen_Bond_Donor_Count	0
39709	Mono_Isotopic_Weight	331.12421471
54014389	Defined_Atom_Stereo_Count	0
142883	Hydrogen_Bond_Donor_Count	0
714937	Molecular_Weight	313.2
9799979	Hydrogen_Bond_Donor_Count	1
21185399	Structure_Complexity	72.5
5744890	Defined_Atom_Stereo_Count	0
5282403	Molecular_Weight	405.5
435360	Rotatable_Bond_Count	1
62333	Covalent_Unit_Count	1
37933	Defined_Atom_Stereo_Count	2
524210	Undefined_Atom_Stereo_Count	0
12059922	Exact_Mass	255.04840
18182	Isotope_Atom_Count	0
60569	Defined_Bond_Stereo_Count	0
53921772	Exact_Mass	116.047344113
118388035	TPSA	104
15765418	Undefined_Bond_Stereo_Count	0
16071605	Undefined_Atom_Stereo_Count	0
65499	Structure_Complexity	569
111314	Total_Formal_Charge	0
5224206	Molecular_Weight	91.13
1266	Undefined_Atom_Stereo_Count	1
316722	Exact_Mass	112.088815002
70696864	Undefined_Bond_Stereo_Count	0
10963	Structure_Complexity	51.2
54234	Defined_Bond_Stereo_Count	0
166931	Tautomer_Count	1
20198094	Undefined_Atom_Stereo_Count	2
6778	Undefined_Atom_Stereo_Count	0
10453870	Structure_Complexity	525
148573599	Molecular_Weight	106.16
15731	Structure_Complexity	161
1533	Hydrogen_Bond_Acceptor_Count	2
14532111	Isotope_Atom_Count	0
5319422	Hydrogen_Bond_Donor_Count	2
80519	Undefined_Atom_Stereo_Count	0
11953808	Structure_Complexity	1520
53736	Covalent_Unit_Count	1
44786	Isotope_Atom_Count	0
3082052	Structure_Complexity	242
23736	Defined_Bond_Stereo_Count	0
6602154	Total_Formal_Charge	0
51946	Exact_Mass	192.175224706
13562	Rotatable_Bond_Count	3
16779	Defined_Atom_Stereo_Count	0
3634	Total_Formal_Charge	0
64432	XLogP3-AA	3
23432895	Rotatable_Bond_Count	2
5282375	Undefined_Atom_Stereo_Count	0
36588	Covalent_Unit_Count	1
160617	Undefined_Bond_Stereo_Count	0
57401151	Covalent_Unit_Count	1
13925600	Non-hydrogen_Atom_Count	8
11332471	Hydrogen_Bond_Donor_Count	1
16678407	Structure_Complexity	552
10966200	Molecular_Weight	226.27
59401	Undefined_Atom_Stereo_Count	0
564664	Undefined_Bond_Stereo_Count	0
9952446	Covalent_Unit_Count	1
10105	Undefined_Bond_Stereo_Count	0
87187801	Mono_Isotopic_Weight	112.088815002
59665407	TPSA	120
540987	Rotatable_Bond_Count	12
16683704	Total_Formal_Charge	0
91612119	Mono_Isotopic_Weight	114.068079557
59966648	Undefined_Atom_Stereo_Count	2
141772581	Total_Formal_Charge	0
12642439	Tautomer_Count	1
5340	TPSA	122
70687386	Covalent_Unit_Count	1
66965363	Defined_Bond_Stereo_Count	0
25182616	Isotope_Atom_Count	0
456255	Undefined_Bond_Stereo_Count	0
104556	Non-hydrogen_Atom_Count	15
54608508	Total_Formal_Charge	0
136266076	Mono_Isotopic_Weight	318.01162
79267	Covalent_Unit_Count	1
130918	Defined_Bond_Stereo_Count	0
3033017	Covalent_Unit_Count	1
124921376	Hydrogen_Bond_Acceptor_Count	14
6857473	Defined_Atom_Stereo_Count	5
644007	Undefined_Bond_Stereo_Count	0
21908889	Exact_Mass	121.03750770
18781684	Isotope_Atom_Count	0
69334516	Covalent_Unit_Count	1
439568	XLogP3	2.7
70719	Molecular_Weight	109.13
67301	Isotope_Atom_Count	0
139782102	Exact_Mass	96.057514874
470375	Mono_Isotopic_Weight	428.00886708
84733	Total_Formal_Charge	0
67338	Isotope_Atom_Count	0
13776191	Defined_Atom_Stereo_Count	0
146158568	Molecular_Weight	527.5
656657	Defined_Atom_Stereo_Count	1
55463	Structure_Complexity	585
53348188	Hydrogen_Bond_Acceptor_Count	8
135565932	Isotope_Atom_Count	0
18671478	Rotatable_Bond_Count	1
2348	XLogP3	0.9
20067321	Defined_Atom_Stereo_Count	0
2898	Undefined_Atom_Stereo_Count	0
53243273	Exact_Mass	115.063328530
16907	Total_Formal_Charge	0
6740	Mono_Isotopic_Weight	171.0087061
130881	Molecular_Weight	558.6
65787	Undefined_Bond_Stereo_Count	0
9938	XLogP3	3.2
566685	Defined_Bond_Stereo_Count	0
2762887	Exact_Mass	113.027691913
46216796	XLogP3-AA	3.8
93186	XLogP3-AA	3.4
21595393	Exact_Mass	337.227988553
24825270	Total_Formal_Charge	0
8189	Rotatable_Bond_Count	9
23092834	Defined_Atom_Stereo_Count	0
316724	Undefined_Bond_Stereo_Count	0
15561101	TPSA	56
163091	Hydrogen_Bond_Donor_Count	0
5357402	Hydrogen_Bond_Acceptor_Count	0
71622657	Structure_Complexity	345
413504	Defined_Bond_Stereo_Count	0
112322	Undefined_Bond_Stereo_Count	0
15013749	Isotope_Atom_Count	0
516893	Exact_Mass	99.95627537
86873	Undefined_Atom_Stereo_Count	1
91826482	Mono_Isotopic_Weight	444.0906928
2724588	Defined_Bond_Stereo_Count	0
71945	Undefined_Bond_Stereo_Count	0
78521	Mono_Isotopic_Weight	339.0444402
3365	Hydrogen_Bond_Acceptor_Count	7
74441087	Undefined_Atom_Stereo_Count	1
68764493	Covalent_Unit_Count	1
9899402	TPSA	24.5
129009972	Undefined_Bond_Stereo_Count	0
81151	Tautomer_Count	2
134019	Undefined_Bond_Stereo_Count	0
63089	Hydrogen_Bond_Donor_Count	0
6992041	TPSA	160
13600903	Undefined_Atom_Stereo_Count	0
6778	Defined_Atom_Stereo_Count	0
164333	Isotope_Atom_Count	0
3050432	Defined_Atom_Stereo_Count	0
30199	Tautomer_Count	2
703047	Undefined_Atom_Stereo_Count	0
5591	Undefined_Atom_Stereo_Count	2
9874874	Defined_Bond_Stereo_Count	0
24871329	Structure_Complexity	533
53477715	Mono_Isotopic_Weight	639.00812033
21302490	XLogP3-AA	3.8
81141	XLogP3	2.2
2723654	Total_Formal_Charge	0
85874	TPSA	44.5
22645860	TPSA	38.1
2794811	Total_Formal_Charge	0
12251381	Non-hydrogen_Atom_Count	8
14294229	Undefined_Atom_Stereo_Count	0
6431771	Exact_Mass	343.12970781
2130	Molecular_Weight	151.25
482	Defined_Bond_Stereo_Count	0
12331	Defined_Bond_Stereo_Count	0
3539116	Defined_Atom_Stereo_Count	0
57159129	Isotope_Atom_Count	0
9956	Undefined_Bond_Stereo_Count	0
5850	Structure_Complexity	201
21908889	Defined_Atom_Stereo_Count	0
16218636	Exact_Mass	307.26401645
68163	Covalent_Unit_Count	1
157690	TPSA	143
284995	Undefined_Bond_Stereo_Count	0
57403932	Covalent_Unit_Count	1
22386229	Structure_Complexity	53.7
138564	Covalent_Unit_Count	1
11831043	Defined_Atom_Stereo_Count	5
22344	Undefined_Atom_Stereo_Count	0
135403832	XLogP3-AA	1.9
53321036	Molecular_Weight	270.33
135465077	Isotope_Atom_Count	0
5270	XLogP3	0.4
53473572	XLogP3-AA	7.1
124005380	Exact_Mass	110.109550447
146159501	Defined_Atom_Stereo_Count	1
17517	Total_Formal_Charge	0
24066917	Structure_Complexity	198
3057	Molecular_Weight	478.6
20623556	Structure_Complexity	123
67944290	Exact_Mass	180.06338810
53465849	Undefined_Bond_Stereo_Count	0
16224456	Hydrogen_Bond_Acceptor_Count	7
93374	Structure_Complexity	65.3
22728753	Covalent_Unit_Count	1
60196377	Non-hydrogen_Atom_Count	10
21120209	Hydrogen_Bond_Acceptor_Count	7
70310	Undefined_Atom_Stereo_Count	0
68591	Undefined_Atom_Stereo_Count	0
15927	Tautomer_Count	1
5702698	Molecular_Weight	391.6
25210	Undefined_Bond_Stereo_Count	0
524670	TPSA	0
86609	Covalent_Unit_Count	1
11105495	Non-hydrogen_Atom_Count	7
156519226	Exact_Mass	110.073164938
11263488	TPSA	32.3
54411340	Mono_Isotopic_Weight	95.048347172
70838	Isotope_Atom_Count	0
633546	Hydrogen_Bond_Donor_Count	0
81846	Isotope_Atom_Count	0
11744314	XLogP3-AA	2.8
2723866	Hydrogen_Bond_Donor_Count	6
88045	Hydrogen_Bond_Donor_Count	9
10772953	Non-hydrogen_Atom_Count	8
38852	Covalent_Unit_Count	5
135539077	Rotatable_Bond_Count	7
23567801	Molecular_Weight	112.17
123415454	Structure_Complexity	86.2
81183	Non-hydrogen_Atom_Count	15
1437819	Covalent_Unit_Count	1
10301	Hydrogen_Bond_Acceptor_Count	2
2005	TPSA	66.4
63021	Exact_Mass	340.20384475
16212880	Defined_Bond_Stereo_Count	0
20387237	Undefined_Atom_Stereo_Count	2
6979027	TPSA	62.3
94021	Undefined_Bond_Stereo_Count	0
7058062	Structure_Complexity	128
15558638	TPSA	43.4
36688153	Exact_Mass	288.175224706
158371	Structure_Complexity	1860
75714	Exact_Mass	115.063328530
23667568	TPSA	85.8
5062	Structure_Complexity	559
31528	Defined_Atom_Stereo_Count	0
3083714	Structure_Complexity	2010
12971800	Defined_Atom_Stereo_Count	1
7850	XLogP3-AA	1.5
60155184	Undefined_Atom_Stereo_Count	0
76716	Undefined_Bond_Stereo_Count	0
7919	Total_Formal_Charge	0
10796703	Structure_Complexity	76.2
57336523	Undefined_Bond_Stereo_Count	0
106823823	Exact_Mass	116.083729621
174111	Mono_Isotopic_Weight	194.940932
8225	Tautomer_Count	1
596593	XLogP3-AA	2
140999	Isotope_Atom_Count	0
90953405	TPSA	54
441667	Exact_Mass	449.10838648
96004	Isotope_Atom_Count	0
23423585	Structure_Complexity	58.7
64685	XLogP3	2.7
16738693	Molecular_Weight	430.4
102678	Exact_Mass	580.4222973
9840857	Defined_Bond_Stereo_Count	0
123462301	Mono_Isotopic_Weight	86.084398327
94204	Molecular_Weight	440.7
7060524	Mono_Isotopic_Weight	112.063662883
3829279	Isotope_Atom_Count	0
167980	Rotatable_Bond_Count	7
730093	Hydrogen_Bond_Donor_Count	2
6880	Mono_Isotopic_Weight	182.05790880
79142	Defined_Bond_Stereo_Count	0
142044455	Undefined_Bond_Stereo_Count	0
91266152	Molecular_Weight	94.15
6471	Isotope_Atom_Count	0
73537	Defined_Atom_Stereo_Count	2
32933	Non-hydrogen_Atom_Count	19
5282547	Isotope_Atom_Count	0
520907	Isotope_Atom_Count	0
11083834	Undefined_Bond_Stereo_Count	0
17695	Undefined_Bond_Stereo_Count	0
12452048	Covalent_Unit_Count	1
6421522	Total_Formal_Charge	0
6587	Rotatable_Bond_Count	0
24780	Exact_Mass	500.30708103
57545	Total_Formal_Charge	0
10355	Total_Formal_Charge	0
14626842	Defined_Atom_Stereo_Count	0
9220	Non-hydrogen_Atom_Count	9
11687	Exact_Mass	346.21440943
3667129	Isotope_Atom_Count	0
13394	Tautomer_Count	3
21930924	Mono_Isotopic_Weight	370.02294
23378249	Non-hydrogen_Atom_Count	11
5361092	Isotope_Atom_Count	0
3034811	Structure_Complexity	2.8
1810203	XLogP3-AA	0.9
131536	Molecular_Weight	585.6
67850	Structure_Complexity	134
446355	Mono_Isotopic_Weight	209.06880783
12632903	Defined_Atom_Stereo_Count	0
15752274	Defined_Bond_Stereo_Count	0
13214	Hydrogen_Bond_Donor_Count	0
64781	Defined_Bond_Stereo_Count	0
9892539	Isotope_Atom_Count	0
1550887	Undefined_Bond_Stereo_Count	0
2540	Non-hydrogen_Atom_Count	45
20465	Covalent_Unit_Count	1
24194514	Defined_Bond_Stereo_Count	0
441243	Rotatable_Bond_Count	13
52999	Mono_Isotopic_Weight	381.07430439
155087254	Non-hydrogen_Atom_Count	85
61041	Undefined_Bond_Stereo_Count	0
457	Molecular_Weight	137.16
16421	Hydrogen_Bond_Donor_Count	0
10307850	Defined_Atom_Stereo_Count	0
15027981	XLogP3-AA	1
153623425	Defined_Bond_Stereo_Count	0
170317	Non-hydrogen_Atom_Count	23
135399748	Defined_Bond_Stereo_Count	0
72943	Covalent_Unit_Count	1
3437714	Defined_Bond_Stereo_Count	0
27982	Rotatable_Bond_Count	2
6537504	Hydrogen_Bond_Acceptor_Count	18
9835852	Total_Formal_Charge	0
128913	Tautomer_Count	1
16224058	Covalent_Unit_Count	1
44195571	Hydrogen_Bond_Acceptor_Count	10
34052	Defined_Bond_Stereo_Count	0
55300028	Covalent_Unit_Count	1
4359	Undefined_Bond_Stereo_Count	0
10130220	Structure_Complexity	151
85339	Hydrogen_Bond_Donor_Count	1
9543187	Covalent_Unit_Count	1
14536538	XLogP3-AA	4.9
21786	Defined_Bond_Stereo_Count	0
12363	Defined_Atom_Stereo_Count	0
24891698	Exact_Mass	427.20082506
102242605	Undefined_Atom_Stereo_Count	0
163714395	Defined_Bond_Stereo_Count	0
53909396	Covalent_Unit_Count	1
157706	Hydrogen_Bond_Donor_Count	1
339231	Undefined_Bond_Stereo_Count	0
49928	Covalent_Unit_Count	1
6953	Hydrogen_Bond_Acceptor_Count	6
71312086	Undefined_Bond_Stereo_Count	1
3836	Non-hydrogen_Atom_Count	31
75318	Hydrogen_Bond_Donor_Count	1
5351564	Non-hydrogen_Atom_Count	24
5460221	Exact_Mass	281.248055291
266052	Defined_Atom_Stereo_Count	0
15789550	Exact_Mass	101.084063974
444493	Non-hydrogen_Atom_Count	51
14050	Isotope_Atom_Count	0
533876	Isotope_Atom_Count	0
38382	Defined_Atom_Stereo_Count	0
100937012	Undefined_Bond_Stereo_Count	0
14282406	TPSA	38.8
14282994	TPSA	32.8
11569	Undefined_Bond_Stereo_Count	0
44134719	Non-hydrogen_Atom_Count	15
9739	Undefined_Bond_Stereo_Count	0
6709	Undefined_Bond_Stereo_Count	0
11434920	Total_Formal_Charge	0
6995749	Undefined_Bond_Stereo_Count	0
5319422	Hydrogen_Bond_Acceptor_Count	5
11553983	Mono_Isotopic_Weight	440.22122615
3005572	Hydrogen_Bond_Acceptor_Count	9
40771	Rotatable_Bond_Count	6
3623	Exact_Mass	275.15214353
23777801	Tautomer_Count	1
138914	Non-hydrogen_Atom_Count	8
248127	Covalent_Unit_Count	1
62354	Undefined_Atom_Stereo_Count	13
53796229	Hydrogen_Bond_Acceptor_Count	2
10175126	Undefined_Bond_Stereo_Count	0
11030410	Hydrogen_Bond_Acceptor_Count	6
527	Hydrogen_Bond_Acceptor_Count	1
216325	Molecular_Weight	616.9
445319	Non-hydrogen_Atom_Count	7
19375416	Defined_Atom_Stereo_Count	0
36900	Hydrogen_Bond_Acceptor_Count	3
2736548	Hydrogen_Bond_Acceptor_Count	2
95083	Hydrogen_Bond_Donor_Count	1
521300	Structure_Complexity	49.5
14476155	Structure_Complexity	535
14740383	Total_Formal_Charge	0
12820526	Hydrogen_Bond_Acceptor_Count	1
46164	Isotope_Atom_Count	0
48000	Exact_Mass	696.34642666
68602320	Total_Formal_Charge	0
21932619	Hydrogen_Bond_Acceptor_Count	10
22344257	XLogP3-AA	0.4
52948810	Molecular_Weight	362.8
13761352	Hydrogen_Bond_Donor_Count	0
56842000	Mono_Isotopic_Weight	601.944164
73216	Isotope_Atom_Count	0
44258737	Undefined_Atom_Stereo_Count	2
101671175	Defined_Atom_Stereo_Count	6
20259185	Non-hydrogen_Atom_Count	8
9877608	Total_Formal_Charge	0
12302695	Hydrogen_Bond_Acceptor_Count	11
87929779	Total_Formal_Charge	0
6154	Tautomer_Count	2
143060	Rotatable_Bond_Count	1
23629997	Exact_Mass	390.18042397
446758	TPSA	60.7
57938	Total_Formal_Charge	0
97697	TPSA	29
132327702	Non-hydrogen_Atom_Count	8
61534	TPSA	2
41376	Tautomer_Count	12
71970	Hydrogen_Bond_Donor_Count	2
55303612	Total_Formal_Charge	0
57291121	Total_Formal_Charge	0
14025	Hydrogen_Bond_Donor_Count	0
12855889	Structure_Complexity	1950
49866692	Exact_Mass	293.1294900
13699300	Mono_Isotopic_Weight	116.047344113
9656	Defined_Bond_Stereo_Count	0
122672143	Molecular_Weight	112.17
69049742	TPSA	145
19100836	Covalent_Unit_Count	1
26346	XLogP3-AA	6.5
64498	Mono_Isotopic_Weight	193.146664230
9084	Defined_Atom_Stereo_Count	0
456255	Undefined_Atom_Stereo_Count	0
5702114	Isotope_Atom_Count	0
568783	XLogP3	3.1
62321	Molecular_Weight	224.34
71624688	Hydrogen_Bond_Acceptor_Count	3
39187	Undefined_Atom_Stereo_Count	1
11614	Structure_Complexity	43.3
6918388	Isotope_Atom_Count	0
16240279	Undefined_Atom_Stereo_Count	0
76661607	Molecular_Weight	104.15
690730	Rotatable_Bond_Count	1
24759	Rotatable_Bond_Count	12
77048	Defined_Bond_Stereo_Count	0
25749227	Undefined_Bond_Stereo_Count	0
4180	Structure_Complexity	236
9863447	Isotope_Atom_Count	0
56659843	Structure_Complexity	659
443003	Non-hydrogen_Atom_Count	13
6442928	Defined_Bond_Stereo_Count	2
9841596	Tautomer_Count	1
5829	Covalent_Unit_Count	1
123610	Undefined_Atom_Stereo_Count	5
87215	Defined_Atom_Stereo_Count	0
70143	Isotope_Atom_Count	0
25102720	Total_Formal_Charge	0
3732019	Undefined_Bond_Stereo_Count	0
32051	Isotope_Atom_Count	0
751826	Hydrogen_Bond_Donor_Count	1
11267045	Isotope_Atom_Count	0
94034	Hydrogen_Bond_Donor_Count	1
24868286	Exact_Mass	254.9966172
18622372	Molecular_Weight	111.10
66261	Structure_Complexity	257
22605229	Exact_Mass	102.031694049
5827	Defined_Bond_Stereo_Count	0
163722493	Defined_Atom_Stereo_Count	0
6975516	Isotope_Atom_Count	0
24450	Molecular_Weight	174.176
22063278	Mono_Isotopic_Weight	97.089149355
11969542	Non-hydrogen_Atom_Count	32
79535	Isotope_Atom_Count	0
68780878	Mono_Isotopic_Weight	398.17427596
10364560	Structure_Complexity	565
1249	Defined_Bond_Stereo_Count	0
10552	Undefined_Atom_Stereo_Count	0
62770	Molecular_Weight	564.0
37461	Structure_Complexity	553
158793	Hydrogen_Bond_Acceptor_Count	5
413538	Defined_Bond_Stereo_Count	0
10909503	Structure_Complexity	57.2
3954	Non-hydrogen_Atom_Count	34
54392263	Structure_Complexity	66.8
79875564	Undefined_Atom_Stereo_Count	0
15628	Covalent_Unit_Count	1
99143	Undefined_Atom_Stereo_Count	0
5360349	Rotatable_Bond_Count	0
77050446	TPSA	32.6
536683	Defined_Bond_Stereo_Count	0
135515430	Hydrogen_Bond_Donor_Count	1
10409	Undefined_Atom_Stereo_Count	0
3036222	Hydrogen_Bond_Acceptor_Count	2
68648	Total_Formal_Charge	0
2111	Defined_Bond_Stereo_Count	0
12962868	Structure_Complexity	98.4
124635203	TPSA	190
2434	Undefined_Bond_Stereo_Count	0
40469377	Total_Formal_Charge	1
71752170	Undefined_Atom_Stereo_Count	0
3009	Mono_Isotopic_Weight	182.08668395
71171	Non-hydrogen_Atom_Count	48
59446219	Isotope_Atom_Count	0
131110184	Rotatable_Bond_Count	2
28620	Isotope_Atom_Count	0
3243871	Exact_Mass	366.0771200
72860	TPSA	9.2
633097	XLogP3	2.5
5553	Rotatable_Bond_Count	21
17432	Hydrogen_Bond_Donor_Count	0
24958528	Structure_Complexity	757
5934	Undefined_Bond_Stereo_Count	0
10105	Defined_Atom_Stereo_Count	0
227244	Defined_Atom_Stereo_Count	0
92268	Rotatable_Bond_Count	0
117968974	Defined_Bond_Stereo_Count	0
11225102	Mono_Isotopic_Weight	466.30562448
19775133	Defined_Atom_Stereo_Count	0
122662800	Defined_Atom_Stereo_Count	0
5459958	Exact_Mass	159.06573383
123457	Hydrogen_Bond_Acceptor_Count	1
136887	Mono_Isotopic_Weight	110.073164938
240796	Rotatable_Bond_Count	1
5460795	Hydrogen_Bond_Donor_Count	3
3356829	Molecular_Weight	118.52
54114	Isotope_Atom_Count	0
8032	Undefined_Bond_Stereo_Count	0
24956	Hydrogen_Bond_Acceptor_Count	0
55285004	Hydrogen_Bond_Acceptor_Count	2
6476333	Structure_Complexity	936
146157141	Defined_Atom_Stereo_Count	1
14763103	Covalent_Unit_Count	1
444013	Isotope_Atom_Count	0
164116	Molecular_Weight	252.27
312145	Non-hydrogen_Atom_Count	31
488	TPSA	201
24871267	Undefined_Atom_Stereo_Count	0
78352	Defined_Bond_Stereo_Count	0
7318	Exact_Mass	183.01677226
41377	Non-hydrogen_Atom_Count	17
146681110	Non-hydrogen_Atom_Count	73
10428273	Total_Formal_Charge	0
5050	Total_Formal_Charge	0
4961823	Isotope_Atom_Count	0
13613	Exact_Mass	128.094963011
53316417	Covalent_Unit_Count	2
13487685	Structure_Complexity	58.6
139348436	Structure_Complexity	103
6445540	Undefined_Atom_Stereo_Count	0
65709	Rotatable_Bond_Count	8
39214	XLogP3	0.4
6549	Mono_Isotopic_Weight	154.135765193
54583833	Undefined_Bond_Stereo_Count	0
605877	Non-hydrogen_Atom_Count	19
49865355	Hydrogen_Bond_Acceptor_Count	4
28284151	Rotatable_Bond_Count	2
11338033	Structure_Complexity	479
53503	Tautomer_Count	1
9934032	Hydrogen_Bond_Acceptor_Count	7
894468	Rotatable_Bond_Count	4
13473	Non-hydrogen_Atom_Count	22
271	Total_Formal_Charge	2
2442	Exact_Mass	375.99727
20390093	Mono_Isotopic_Weight	100.027277375
4584	Defined_Bond_Stereo_Count	0
21441185	Defined_Bond_Stereo_Count	0
86805	TPSA	82
7166	Molecular_Weight	162.18
66783827	Structure_Complexity	46.2
287983	Undefined_Bond_Stereo_Count	0
21817602	Isotope_Atom_Count	0
69497	Exact_Mass	232.05580079
84811	Non-hydrogen_Atom_Count	14
86295112	Structure_Complexity	618
112322	Defined_Atom_Stereo_Count	0
84141	Non-hydrogen_Atom_Count	17
53856650	Mono_Isotopic_Weight	110.109550447
64722	Hydrogen_Bond_Donor_Count	1
825744	Molecular_Weight	338.4
6708701	XLogP3-AA	0.6
18283	Rotatable_Bond_Count	2
71264	Hydrogen_Bond_Donor_Count	1
11217523	Hydrogen_Bond_Acceptor_Count	2
11275562	Hydrogen_Bond_Acceptor_Count	9
129673373	Undefined_Bond_Stereo_Count	0
580328	Covalent_Unit_Count	1
23537	TPSA	29.1
53316138	Defined_Atom_Stereo_Count	6
5351564	Undefined_Bond_Stereo_Count	0
21922314	Defined_Atom_Stereo_Count	0
6540298	Structure_Complexity	641
46173707	Defined_Atom_Stereo_Count	15
21482439	TPSA	9.2
41990	Tautomer_Count	4
129840260	Undefined_Bond_Stereo_Count	0
54372438	Molecular_Weight	100.12
20696068	Hydrogen_Bond_Donor_Count	1
59952	Undefined_Atom_Stereo_Count	0
7725	Exact_Mass	120.057514874
5608	TPSA	306
123385	Defined_Bond_Stereo_Count	0
67420901	Exact_Mass	110.048012819
89628790	Defined_Bond_Stereo_Count	0
23725019	Hydrogen_Bond_Acceptor_Count	4
79003661	Structure_Complexity	120
9595290	Undefined_Bond_Stereo_Count	0
24536	Isotope_Atom_Count	0
12493366	TPSA	32.1
7092657	TPSA	37.3
9956	Defined_Atom_Stereo_Count	0
91410652	Molecular_Weight	114.14
6435207	Isotope_Atom_Count	0
119054	Hydrogen_Bond_Acceptor_Count	5
19159	Undefined_Atom_Stereo_Count	1
317678	Defined_Atom_Stereo_Count	0
12340	Mono_Isotopic_Weight	88.088815002
5702065	Defined_Atom_Stereo_Count	1
105426997	Exact_Mass	112.088815002
92981	Total_Formal_Charge	0
3035905	Hydrogen_Bond_Acceptor_Count	2
6905	Rotatable_Bond_Count	0
283242	Hydrogen_Bond_Acceptor_Count	2
119082985	Exact_Mass	96.068748264
13940	Hydrogen_Bond_Donor_Count	0
3378440	Hydrogen_Bond_Acceptor_Count	8
74867	Non-hydrogen_Atom_Count	17
20463	Isotope_Atom_Count	0
50993725	Covalent_Unit_Count	1
44154280	Tautomer_Count	6
21880519	Exact_Mass	144.151415257
21078422	Defined_Atom_Stereo_Count	0
6720	Molecular_Weight	295.3
133057415	Hydrogen_Bond_Acceptor_Count	3
13138	Covalent_Unit_Count	1
90725416	Exact_Mass	904.44565070
83403	Defined_Bond_Stereo_Count	0
133832	Hydrogen_Bond_Donor_Count	0
21681979	Structure_Complexity	143
5153297	Molecular_Weight	130.13
5963	Defined_Atom_Stereo_Count	0
65601	Structure_Complexity	445
671214	Total_Formal_Charge	0
22591521	Isotope_Atom_Count	0
10747	Isotope_Atom_Count	0
53319739	Molecular_Weight	279.29
11001318	Tautomer_Count	1
2724640	Hydrogen_Bond_Donor_Count	2
17198	TPSA	55.8
445	Defined_Atom_Stereo_Count	0
76464	Mono_Isotopic_Weight	226.07588133
129846269	Molecular_Weight	368.3
12431567	Exact_Mass	98.073164938
817122	Undefined_Bond_Stereo_Count	0
72728690	Exact_Mass	97.052763847
72099	Undefined_Bond_Stereo_Count	0
136705145	Rotatable_Bond_Count	5
4740	Defined_Bond_Stereo_Count	0
53298027	Undefined_Bond_Stereo_Count	0
86956	Isotope_Atom_Count	0
54144952	Undefined_Bond_Stereo_Count	0
24883439	Defined_Atom_Stereo_Count	0
25015692	Non-hydrogen_Atom_Count	37
129704588	Hydrogen_Bond_Donor_Count	3
5641	Defined_Bond_Stereo_Count	0
129654479	Structure_Complexity	108
54500069	Hydrogen_Bond_Donor_Count	2
4371	Molecular_Weight	808.5
77680	Undefined_Bond_Stereo_Count	0
231360	Isotope_Atom_Count	0
13530	Structure_Complexity	70.6
156618055	Molecular_Weight	342.30
20311319	Rotatable_Bond_Count	0
6539985	Defined_Bond_Stereo_Count	0
9793	Exact_Mass	376.20498756
42207	Molecular_Weight	543.1
16218740	Undefined_Bond_Stereo_Count	0
858	TPSA	29.6
524667	XLogP3-AA	3.8
449355	Hydrogen_Bond_Acceptor_Count	9
6389	Total_Formal_Charge	0
62209	Non-hydrogen_Atom_Count	18
4359	Undefined_Atom_Stereo_Count	0
11170949	XLogP3-AA	0.1
20387201	TPSA	3
9000	Defined_Atom_Stereo_Count	0
9016	TPSA	18.5
44338967	Defined_Atom_Stereo_Count	0
59791	Covalent_Unit_Count	1
517121	Structure_Complexity	225
40510	Undefined_Atom_Stereo_Count	0
13787747	Covalent_Unit_Count	3
1715	Tautomer_Count	1
12271363	Defined_Atom_Stereo_Count	0
44280082	Mono_Isotopic_Weight	257.05104977
68737	Covalent_Unit_Count	3
13917	Molecular_Weight	221.29
814152	TPSA	88.6
73921	Molecular_Weight	207.23
61024	Defined_Bond_Stereo_Count	0
18335911	XLogP3-AA	0.5
21187507	Undefined_Bond_Stereo_Count	0
261790	Tautomer_Count	1
121235738	Isotope_Atom_Count	0
15614042	Isotope_Atom_Count	0
3985	Rotatable_Bond_Count	26
19434657	Hydrogen_Bond_Acceptor_Count	1
44299	Defined_Bond_Stereo_Count	0
22833506	Mono_Isotopic_Weight	410.1051646
16700308	Hydrogen_Bond_Donor_Count	0
143506727	Hydrogen_Bond_Acceptor_Count	0
74745	Hydrogen_Bond_Donor_Count	0
161094262	Structure_Complexity	15.5
7003	Defined_Atom_Stereo_Count	0
54678407	Rotatable_Bond_Count	2
23532162	Undefined_Atom_Stereo_Count	0
123969717	XLogP3-AA	0.6
130659	Rotatable_Bond_Count	8
73707684	Non-hydrogen_Atom_Count	7
11569	Undefined_Atom_Stereo_Count	0
117010139	TPSA	15
71272	Mono_Isotopic_Weight	392.02910
316797	Covalent_Unit_Count	1
12545984	Non-hydrogen_Atom_Count	7
85217	Non-hydrogen_Atom_Count	14
24732	Undefined_Bond_Stereo_Count	0
85939688	Non-hydrogen_Atom_Count	18
46708292	Non-hydrogen_Atom_Count	20
73603	Undefined_Atom_Stereo_Count	1
2763078	Hydrogen_Bond_Donor_Count	1
55287187	Isotope_Atom_Count	0
53734710	Hydrogen_Bond_Acceptor_Count	2
2734086	Molecular_Weight	446.7
68196	Defined_Atom_Stereo_Count	0
712373	Defined_Atom_Stereo_Count	0
81120	Undefined_Bond_Stereo_Count	0
31236	Defined_Bond_Stereo_Count	0
9865421	Mono_Isotopic_Weight	394.20049070
135582708	Mono_Isotopic_Weight	324.09306551
20035294	Isotope_Atom_Count	0
444022	Total_Formal_Charge	0
799	Hydrogen_Bond_Acceptor_Count	6
124809074	TPSA	272
443157	Defined_Atom_Stereo_Count	1
4273	Structure_Complexity	551
21677822	XLogP3-AA	2.7
14227	Total_Formal_Charge	0
12052005	Isotope_Atom_Count	0
11213	Defined_Bond_Stereo_Count	0
23599502	Defined_Bond_Stereo_Count	0
35162	Defined_Atom_Stereo_Count	0
137550	Undefined_Atom_Stereo_Count	0
89748954	Molecular_Weight	114.19
14257	Covalent_Unit_Count	1
24742076	Structure_Complexity	642
448043	Undefined_Bond_Stereo_Count	0
129761	Hydrogen_Bond_Donor_Count	2
23310226	Hydrogen_Bond_Donor_Count	0
737804	Defined_Bond_Stereo_Count	0
11627212	XLogP3-AA	9.4
11170991	Structure_Complexity	129
18213	Structure_Complexity	55
7032	Defined_Bond_Stereo_Count	0
11344002	Defined_Atom_Stereo_Count	0
11735949	Undefined_Atom_Stereo_Count	0
13820629	Total_Formal_Charge	0
28871	Isotope_Atom_Count	0
1929	Isotope_Atom_Count	0
11565240	XLogP3-AA	1.2
95308	Isotope_Atom_Count	0
76674	Undefined_Bond_Stereo_Count	0
88937798	Undefined_Atom_Stereo_Count	0
8710	Total_Formal_Charge	0
129396765	Undefined_Atom_Stereo_Count	0
57656232	Undefined_Bond_Stereo_Count	0
4259	Exact_Mass	401.17508442
13854255	Undefined_Atom_Stereo_Count	0
12634652	Undefined_Bond_Stereo_Count	0
2100	Molecular_Weight	919.0
15193678	Total_Formal_Charge	0
123134056	Covalent_Unit_Count	2
68216	Total_Formal_Charge	0
10011877	Undefined_Bond_Stereo_Count	0
40539	Non-hydrogen_Atom_Count	13
11700183	Isotope_Atom_Count	0
21910271	Exact_Mass	223.04899890
1289	Covalent_Unit_Count	1
57174031	XLogP3	3.8
6165177	XLogP3	1.7
151114	Rotatable_Bond_Count	1
439378	Undefined_Bond_Stereo_Count	0
23615430	Non-hydrogen_Atom_Count	16
68009306	Total_Formal_Charge	0
71762	Undefined_Atom_Stereo_Count	8
2737136	Hydrogen_Bond_Acceptor_Count	7
7817	Structure_Complexity	116
4136	Undefined_Bond_Stereo_Count	0
13140	Covalent_Unit_Count	1
16760577	Mono_Isotopic_Weight	325.17902698
70681777	XLogP3-AA	2.2
547686	Non-hydrogen_Atom_Count	8
44339046	Hydrogen_Bond_Donor_Count	2
28837	XLogP3	6.6
605461	Total_Formal_Charge	0
154225133	Defined_Bond_Stereo_Count	0
36207	Rotatable_Bond_Count	5
37059	Undefined_Atom_Stereo_Count	2
83063	Non-hydrogen_Atom_Count	13
135616187	Defined_Bond_Stereo_Count	2
93189	Mono_Isotopic_Weight	178.135765193
31493	Total_Formal_Charge	0
18016	Rotatable_Bond_Count	16
129893524	Covalent_Unit_Count	3
12366	XLogP3-AA	7.8
54961	TPSA	31.7
55255285	Mono_Isotopic_Weight	111.068413911
54099775	Non-hydrogen_Atom_Count	8
12425308	Hydrogen_Bond_Acceptor_Count	3
49843517	Hydrogen_Bond_Donor_Count	2
138059757	Non-hydrogen_Atom_Count	31
10560336	Structure_Complexity	152
3068367	Hydrogen_Bond_Acceptor_Count	16
59903796	Mono_Isotopic_Weight	100.052429494
141849	Undefined_Bond_Stereo_Count	0
24822135	Structure_Complexity	555
9918381	Defined_Atom_Stereo_Count	0
6917839	Total_Formal_Charge	0
49808	Rotatable_Bond_Count	6
100698	Molecular_Weight	93.08
52948843	Non-hydrogen_Atom_Count	25
123603692	Hydrogen_Bond_Acceptor_Count	1
15559658	Hydrogen_Bond_Acceptor_Count	1
649153	Rotatable_Bond_Count	10
89532783	XLogP3-AA	0.9
13748845	Defined_Atom_Stereo_Count	0
8819	Hydrogen_Bond_Acceptor_Count	6
103544	Covalent_Unit_Count	1
2909	Defined_Bond_Stereo_Count	0
46893453	Covalent_Unit_Count	1
5814	TPSA	86.7
3315	Molecular_Weight	872.9
134694664	Isotope_Atom_Count	0
18992283	Total_Formal_Charge	0
69280558	TPSA	61.4
45248	Molecular_Weight	277.36
8413	Hydrogen_Bond_Acceptor_Count	2
54207973	Hydrogen_Bond_Donor_Count	1
4800713	Hydrogen_Bond_Donor_Count	1
5232201	Molecular_Weight	110.14
11957463	Structure_Complexity	576
11316094	Molecular_Weight	419.5
17754438	Covalent_Unit_Count	1
23674	Defined_Bond_Stereo_Count	0
24826799	Total_Formal_Charge	0
88495127	Exact_Mass	122.00376522
46173707	Tautomer_Count	1
81166	Exact_Mass	199.06669983
26662	Defined_Bond_Stereo_Count	0
193504	Rotatable_Bond_Count	3
23678	Undefined_Atom_Stereo_Count	0
71459165	Covalent_Unit_Count	1
12007083	Exact_Mass	420.20088463
20129	Total_Formal_Charge	0
81902	Hydrogen_Bond_Acceptor_Count	1
53385491	Mono_Isotopic_Weight	1582.6453481
89273	Total_Formal_Charge	0
12681848	Mono_Isotopic_Weight	296.17360725
9847219	XLogP3-AA	4.8
26249	Hydrogen_Bond_Acceptor_Count	8
24869	Exact_Mass	112.052429494
44093	Structure_Complexity	244
10491069	Molecular_Weight	253.21
5361918	Molecular_Weight	356.4
121207368	Rotatable_Bond_Count	0
1758	Structure_Complexity	356
87110	Covalent_Unit_Count	1
135398731	Non-hydrogen_Atom_Count	32
10780	Hydrogen_Bond_Donor_Count	0
24868263	Mono_Isotopic_Weight	351.21714909
256737	TPSA	60.7
91412269	Structure_Complexity	262
12308	Hydrogen_Bond_Acceptor_Count	1
23693089	Hydrogen_Bond_Donor_Count	4
197942	Molecular_Weight	206.63
69162577	Hydrogen_Bond_Acceptor_Count	3
14528849	XLogP3-AA	1
539001	Total_Formal_Charge	0
5288811	Undefined_Bond_Stereo_Count	0
46224600	Isotope_Atom_Count	0
3798	Defined_Bond_Stereo_Count	0
45511	Hydrogen_Bond_Donor_Count	0
9470	Undefined_Atom_Stereo_Count	1
77763	TPSA	20.2
24848343	Mono_Isotopic_Weight	254.0267192
54110642	TPSA	57.5
5672	Exact_Mass	778.39416469
143047391	Hydrogen_Bond_Donor_Count	1
14104	XLogP3	3.8
71449988	Undefined_Bond_Stereo_Count	0
7812	Hydrogen_Bond_Donor_Count	1
20483578	Molecular_Weight	112.13
65786	TPSA	58.6
10022	Exact_Mass	153.97934
76968505	Covalent_Unit_Count	2
136430	Structure_Complexity	140
6918336	Defined_Bond_Stereo_Count	0
148140	Molecular_Weight	161.20
16667743	Structure_Complexity	484
2130	XLogP3	2.4
123156	Total_Formal_Charge	0
7642	XLogP3-AA	8.5
68979856	Hydrogen_Bond_Acceptor_Count	3
12127	Defined_Bond_Stereo_Count	0
46878493	Molecular_Weight	112.04
9281	Non-hydrogen_Atom_Count	58
579338	Undefined_Bond_Stereo_Count	0
449487	Undefined_Bond_Stereo_Count	0
16213095	Covalent_Unit_Count	2
6890	Covalent_Unit_Count	1
231934	Undefined_Atom_Stereo_Count	0
515574	Hydrogen_Bond_Donor_Count	0
70695756	Defined_Bond_Stereo_Count	0
13661	Undefined_Atom_Stereo_Count	0
689750	Mono_Isotopic_Weight	232.06703418
14782	TPSA	17.1
87851	Total_Formal_Charge	0
54526114	Hydrogen_Bond_Donor_Count	0
5486172	XLogP3-AA	0
25014511	Defined_Bond_Stereo_Count	0
118654527	Non-hydrogen_Atom_Count	20
443046	Undefined_Atom_Stereo_Count	3
24891699	Hydrogen_Bond_Acceptor_Count	6
11297617	Molecular_Weight	981.0
169	Undefined_Atom_Stereo_Count	2
22181125	Mono_Isotopic_Weight	87.068413911
6742	Structure_Complexity	605
33503	Non-hydrogen_Atom_Count	15
3643	Structure_Complexity	908
408	TPSA	33.2
10659	XLogP3-AA	2.7
15189029	Covalent_Unit_Count	1
3383	Hydrogen_Bond_Donor_Count	2
6453994	TPSA	29.1
142965989	Rotatable_Bond_Count	6
23649427	Isotope_Atom_Count	0
8992	Undefined_Bond_Stereo_Count	0
12362	Hydrogen_Bond_Acceptor_Count	3
11408688	Structure_Complexity	559
10525838	Structure_Complexity	617
15256327	Structure_Complexity	103
11358	Hydrogen_Bond_Acceptor_Count	1
458096	Rotatable_Bond_Count	13
6921840	Defined_Atom_Stereo_Count	1
25245437	Covalent_Unit_Count	1
61144	Defined_Bond_Stereo_Count	0
45738	TPSA	9.2
3246	Hydrogen_Bond_Acceptor_Count	2
9402	Hydrogen_Bond_Donor_Count	1
5280343	Mono_Isotopic_Weight	302.04265265
10451635	XLogP3-AA	3.7
6443013	Rotatable_Bond_Count	14
71587288	Defined_Bond_Stereo_Count	0
9786	Structure_Complexity	240
60165656	Undefined_Atom_Stereo_Count	0
53393586	Mono_Isotopic_Weight	527.23263824
6385	Covalent_Unit_Count	1
23236224	Undefined_Bond_Stereo_Count	0
20499147	Defined_Bond_Stereo_Count	0
10197636	Exact_Mass	100.052429494
135621748	Hydrogen_Bond_Acceptor_Count	2
42768	Mono_Isotopic_Weight	520.22725974
5351564	Undefined_Atom_Stereo_Count	0
85867	TPSA	90.8
5282421	Undefined_Atom_Stereo_Count	0
130013569	Non-hydrogen_Atom_Count	8
12699170	Undefined_Atom_Stereo_Count	3
23916	Undefined_Bond_Stereo_Count	1
1368742	Covalent_Unit_Count	1
8633	Tautomer_Count	4
98559	Exact_Mass	282.18444672
14416477	Defined_Atom_Stereo_Count	0
9948102	Undefined_Bond_Stereo_Count	0
135434844	Rotatable_Bond_Count	24
481709	Exact_Mass	300.0739936
19241	Undefined_Atom_Stereo_Count	0
101658	Defined_Atom_Stereo_Count	0
15257	Defined_Atom_Stereo_Count	0
6363	XLogP3-AA	0.1
9908783	Rotatable_Bond_Count	3
16132429	Defined_Bond_Stereo_Count	0
5092	Non-hydrogen_Atom_Count	20
21306027	Rotatable_Bond_Count	1
21867906	Covalent_Unit_Count	2
72568	TPSA	37.4
3000825	Total_Formal_Charge	0
521998	Structure_Complexity	206
441035	Molecular_Weight	180.16
6328250	TPSA	30.2
11027	Total_Formal_Charge	0
14078847	Undefined_Bond_Stereo_Count	0
2452	Defined_Atom_Stereo_Count	0
68975085	Defined_Atom_Stereo_Count	0
65249	Molecular_Weight	147.13
56052	Undefined_Atom_Stereo_Count	2
70240	Undefined_Bond_Stereo_Count	0
53970191	Molecular_Weight	112.17
673681	Molecular_Weight	155.18
547749	TPSA	20.2
9828626	Defined_Atom_Stereo_Count	0
10221890	Defined_Atom_Stereo_Count	0
84461	Tautomer_Count	2
3658056	Total_Formal_Charge	0
861	Structure_Complexity	402
136093	Mono_Isotopic_Weight	97.089149355
101050964	XLogP3-AA	1.1
68933	Mono_Isotopic_Weight	264.06809681
6043	Non-hydrogen_Atom_Count	10
10797	Undefined_Bond_Stereo_Count	0
3086637	Tautomer_Count	117
17963363	Defined_Bond_Stereo_Count	0
34624	Hydrogen_Bond_Donor_Count	0
279506	Exact_Mass	104.047344113
57992058	XLogP3-AA	3.9
57467561	TPSA	18.5
40466988	XLogP3-AA	1.8
6917733	Rotatable_Bond_Count	14
476770	XLogP3-AA	6.4
53720955	Molecular_Weight	109.13
6586	Mono_Isotopic_Weight	93.9821570
3081884	Defined_Atom_Stereo_Count	4
54456063	XLogP3-AA	0.7
3336	Covalent_Unit_Count	1
140738	Molecular_Weight	114.19
87035	Exact_Mass	192.126263138
706992	Isotope_Atom_Count	0
128549	Exact_Mass	402.21547206
9989218	Structure_Complexity	68.6
17028077	Covalent_Unit_Count	1
24360	Undefined_Atom_Stereo_Count	0
439195	Covalent_Unit_Count	1
65328	Defined_Bond_Stereo_Count	0
12344722	Molecular_Weight	93.13
68195	Undefined_Atom_Stereo_Count	0
69488	Structure_Complexity	25.5
5467	Exact_Mass	328.14567842
9834591	Isotope_Atom_Count	0
8283	Mono_Isotopic_Weight	220.182715385
64017	Hydrogen_Bond_Acceptor_Count	6
6024	Rotatable_Bond_Count	7
40855	TPSA	132
10339178	Defined_Atom_Stereo_Count	0
28876	Structure_Complexity	363
44263854	Structure_Complexity	525
706992	Hydrogen_Bond_Donor_Count	0
138860	Mono_Isotopic_Weight	104.062600255
11589453	Defined_Atom_Stereo_Count	0
8230	Total_Formal_Charge	0
211	XLogP3-AA	0.6
9823820	Undefined_Bond_Stereo_Count	0
65513	Hydrogen_Bond_Acceptor_Count	10
5813	Tautomer_Count	10
5380876	Rotatable_Bond_Count	0
137537	Defined_Atom_Stereo_Count	0
16220118	Exact_Mass	313.0481653
16113378	Hydrogen_Bond_Donor_Count	1
104428	Rotatable_Bond_Count	6
146159909	Isotope_Atom_Count	0
90019226	Molecular_Weight	103.12
72913	Total_Formal_Charge	0
117965	Exact_Mass	324.1968412
23663958	Non-hydrogen_Atom_Count	17
21302490	Defined_Bond_Stereo_Count	0
98043896	Total_Formal_Charge	0
5317319	Defined_Bond_Stereo_Count	1
911	Exact_Mass	177.04596439
21793339	Undefined_Bond_Stereo_Count	0
540327	Isotope_Atom_Count	0
90998196	Defined_Atom_Stereo_Count	0
9552079	Isotope_Atom_Count	0
75825	Isotope_Atom_Count	0
11742	Isotope_Atom_Count	0
44412343	Non-hydrogen_Atom_Count	25
10949861	Non-hydrogen_Atom_Count	1
20060810	Undefined_Bond_Stereo_Count	0
3056	TPSA	107
198236	Undefined_Atom_Stereo_Count	0
24828759	Undefined_Atom_Stereo_Count	0
69240	Covalent_Unit_Count	1
447405	TPSA	125
3052776	Structure_Complexity	212
24726	TPSA	0
2734229	Structure_Complexity	206
12285886	Rotatable_Bond_Count	1
12104	Isotope_Atom_Count	0
13399110	Hydrogen_Bond_Donor_Count	0
53326398	Structure_Complexity	1110
6360	Undefined_Atom_Stereo_Count	0
561	Hydrogen_Bond_Acceptor_Count	7
90561	Tautomer_Count	7
527511	Molecular_Weight	109.17
447980	TPSA	57.7
10895019	Isotope_Atom_Count	1
668390	XLogP3-AA	2
62865	Molecular_Weight	323.5
4107	Non-hydrogen_Atom_Count	17
8992	Defined_Atom_Stereo_Count	0
123304022	Molecular_Weight	102.13
84599	Defined_Atom_Stereo_Count	0
70685495	Total_Formal_Charge	0
20470942	XLogP3-AA	0.4
16290686	Covalent_Unit_Count	1
370	Covalent_Unit_Count	1
19427867	TPSA	38.3
139367	Structure_Complexity	96
21201338	Defined_Bond_Stereo_Count	0
3151	Hydrogen_Bond_Acceptor_Count	3
6604816	Mono_Isotopic_Weight	1201.84136802
18660697	Hydrogen_Bond_Acceptor_Count	9
96379	Isotope_Atom_Count	0
817122	Defined_Atom_Stereo_Count	0
67249135	Structure_Complexity	712
3151	Defined_Atom_Stereo_Count	0
23649427	XLogP3-AA	2.2
10402760	Defined_Bond_Stereo_Count	0
7090	Exact_Mass	162.079312947
12986478	Exact_Mass	115.063328530
10909908	Rotatable_Bond_Count	4
304016	Structure_Complexity	177
56663315	XLogP3-AA	3.7
125183304	Exact_Mass	904.44565070
39425	Mono_Isotopic_Weight	249.139173551
12648080	Molecular_Weight	154.16
24917008	Molecular_Weight	290.42
11313946	Exact_Mass	344.13069707
1361	Covalent_Unit_Count	1
163285965	Isotope_Atom_Count	0
7946	Tautomer_Count	1
75908	Undefined_Bond_Stereo_Count	0
4048	Total_Formal_Charge	0
87609775	Hydrogen_Bond_Donor_Count	3
13039	TPSA	55.1
22401764	Isotope_Atom_Count	0
16218740	Defined_Atom_Stereo_Count	0
155560570	Undefined_Bond_Stereo_Count	0
3651	Rotatable_Bond_Count	2
4497	Hydrogen_Bond_Acceptor_Count	8
129722163	Defined_Atom_Stereo_Count	0
11469158	TPSA	35.5
59539	Undefined_Atom_Stereo_Count	0
94317	Structure_Complexity	86.6
2725022	Structure_Complexity	339
6948	Exact_Mass	499.7267
18681973	TPSA	61.4
6452300	Hydrogen_Bond_Acceptor_Count	3
53734710	Undefined_Bond_Stereo_Count	0
107994	Undefined_Atom_Stereo_Count	0
21907926	Molecular_Weight	124.06
11476467	TPSA	122
11114	Undefined_Bond_Stereo_Count	0
5282411	TPSA	87
69333573	TPSA	42.6
104865206	Defined_Atom_Stereo_Count	0
3282	Molecular_Weight	165.19
16212984	Non-hydrogen_Atom_Count	8
10311306	Hydrogen_Bond_Acceptor_Count	9
71835	Molecular_Weight	263.12
24916897	Defined_Bond_Stereo_Count	0
8221	Total_Formal_Charge	0
69204	Non-hydrogen_Atom_Count	8
120081	Non-hydrogen_Atom_Count	16
268492	Non-hydrogen_Atom_Count	23
6438150	Mono_Isotopic_Weight	418.19915329
1969	Tautomer_Count	1
24314	Covalent_Unit_Count	1
55244	Undefined_Atom_Stereo_Count	0
87279974	Rotatable_Bond_Count	1
58438	Hydrogen_Bond_Acceptor_Count	3
22006231	Defined_Bond_Stereo_Count	0
10101269	Isotope_Atom_Count	0
20190406	Undefined_Bond_Stereo_Count	0
8028	Hydrogen_Bond_Donor_Count	0
6918092	Mono_Isotopic_Weight	668.15062196
58031952	Covalent_Unit_Count	1
125449602	Exact_Mass	114.068079557
3859614	Undefined_Atom_Stereo_Count	0
24207	Isotope_Atom_Count	0
693507	Hydrogen_Bond_Acceptor_Count	4
74180	Hydrogen_Bond_Donor_Count	1
12496412	Hydrogen_Bond_Donor_Count	0
15347	Defined_Bond_Stereo_Count	0
71337442	Defined_Bond_Stereo_Count	0
135502804	XLogP3-AA	1.7
11262	Defined_Bond_Stereo_Count	0
23663953	Mono_Isotopic_Weight	458.1043004
4261	XLogP3-AA	2
37542	Hydrogen_Bond_Donor_Count	4
53320444	Undefined_Bond_Stereo_Count	0
185554	Covalent_Unit_Count	1
14670	Non-hydrogen_Atom_Count	20
18406174	Undefined_Atom_Stereo_Count	2
61583	Defined_Bond_Stereo_Count	0
5289382	Hydrogen_Bond_Donor_Count	7
135472946	Isotope_Atom_Count	0
11710	Structure_Complexity	71
135398654	Defined_Atom_Stereo_Count	3
4206	Rotatable_Bond_Count	13
198212	Total_Formal_Charge	0
16132344	Defined_Atom_Stereo_Count	45
123203551	Non-hydrogen_Atom_Count	8
6426699	Hydrogen_Bond_Donor_Count	1
9988	XLogP3-AA	0.9
134693234	XLogP3	3.6
2356	Total_Formal_Charge	0
80472094	Structure_Complexity	110
9838022	Exact_Mass	221.177964357
3081078	Covalent_Unit_Count	1
108026	XLogP3-AA	2.5
13238893	Mono_Isotopic_Weight	189.07653381
79619	TPSA	30
6918123	Hydrogen_Bond_Donor_Count	3
213037	Molecular_Weight	576.5
60063	XLogP3-AA	0.4
71449988	Undefined_Atom_Stereo_Count	0
21487318	Total_Formal_Charge	0
20674252	Non-hydrogen_Atom_Count	7
68119	Hydrogen_Bond_Donor_Count	0
86354	Exact_Mass	333.1607901
24714	Hydrogen_Bond_Donor_Count	6
163276613	XLogP3-AA	0.5
7854	Covalent_Unit_Count	1
42108	Hydrogen_Bond_Donor_Count	0
67873	Defined_Bond_Stereo_Count	0
124510	Non-hydrogen_Atom_Count	7
56949966	Total_Formal_Charge	0
10178	Undefined_Bond_Stereo_Count	0
71008	XLogP3-AA	3
49864532	Mono_Isotopic_Weight	343.1199879
108888	Exact_Mass	362.20932405
12200971	Exact_Mass	117.078978594
2971	Mono_Isotopic_Weight	322.21440943
139580	Defined_Bond_Stereo_Count	0
17691	Defined_Atom_Stereo_Count	0
22132384	Isotope_Atom_Count	0
68012	Non-hydrogen_Atom_Count	14
91820610	Defined_Atom_Stereo_Count	6
21676144	Hydrogen_Bond_Donor_Count	1
15604015	Defined_Atom_Stereo_Count	0
13113	Defined_Bond_Stereo_Count	0
11441796	Structure_Complexity	575
16971	Isotope_Atom_Count	0
17754081	Hydrogen_Bond_Donor_Count	4
6435893	Hydrogen_Bond_Donor_Count	5
32307	Hydrogen_Bond_Donor_Count	1
3085877	Exact_Mass	164.058577502
107400	Total_Formal_Charge	0
968081	Undefined_Bond_Stereo_Count	0
60196321	Defined_Bond_Stereo_Count	0
11568443	TPSA	95.5
91067785	Covalent_Unit_Count	1
90843502	Undefined_Bond_Stereo_Count	0
5284382	Undefined_Atom_Stereo_Count	0
5735	Structure_Complexity	573
21942786	Hydrogen_Bond_Donor_Count	1
998021	Rotatable_Bond_Count	7
118689592	Exact_Mass	665.30474055
156580566	TPSA	125
119205	Mono_Isotopic_Weight	358.14163842
59904965	Hydrogen_Bond_Acceptor_Count	0
5489410	Total_Formal_Charge	0
6433513	Hydrogen_Bond_Acceptor_Count	4
3086455	Defined_Bond_Stereo_Count	0
1385867	Mono_Isotopic_Weight	102.128274515
274730	Hydrogen_Bond_Donor_Count	3
70516989	Hydrogen_Bond_Donor_Count	1
59792626	Undefined_Bond_Stereo_Count	0
78090	Tautomer_Count	1
6604413	Mono_Isotopic_Weight	337.24393591
41124	Hydrogen_Bond_Donor_Count	0
71541188	Defined_Bond_Stereo_Count	0
3002003	Isotope_Atom_Count	0
11547499	TPSA	132
94355	Isotope_Atom_Count	0
1252769	Exact_Mass	110.02286070
91749	Non-hydrogen_Atom_Count	15
9821941	Defined_Atom_Stereo_Count	0
39793	Hydrogen_Bond_Acceptor_Count	4
5324054	Total_Formal_Charge	0
362	Hydrogen_Bond_Donor_Count	2
5259899	Rotatable_Bond_Count	4
721137	Hydrogen_Bond_Acceptor_Count	4
165363453	Isotope_Atom_Count	1
10118014	Hydrogen_Bond_Donor_Count	2
10867444	XLogP3-AA	4.4
15830	Isotope_Atom_Count	0
2775941	XLogP3-AA	9.4
3435	Defined_Bond_Stereo_Count	0
28118	Undefined_Atom_Stereo_Count	0
90451	Tautomer_Count	1
134393564	Isotope_Atom_Count	0
107885	XLogP3	6.3
701542	Undefined_Atom_Stereo_Count	0
5480	Hydrogen_Bond_Donor_Count	1
137092	Defined_Bond_Stereo_Count	0
66908206	Undefined_Bond_Stereo_Count	0
510	TPSA	140
12487261	Defined_Bond_Stereo_Count	0
138851	Mono_Isotopic_Weight	114.042927438
7530950	Hydrogen_Bond_Acceptor_Count	2
13860942	Hydrogen_Bond_Acceptor_Count	3
61660	Tautomer_Count	1
136197528	Isotope_Atom_Count	0
5113032	Tautomer_Count	160
66545764	Non-hydrogen_Atom_Count	37
72149	Defined_Atom_Stereo_Count	0
6382	Molecular_Weight	209.82
22859	Total_Formal_Charge	0
6321422	Undefined_Atom_Stereo_Count	0
4235	Undefined_Bond_Stereo_Count	0
35020890	Covalent_Unit_Count	1
94811	Undefined_Bond_Stereo_Count	0
9867605	Mono_Isotopic_Weight	434.0297083
67085	Exact_Mass	422.07428
14459508	Hydrogen_Bond_Donor_Count	1
411051	Hydrogen_Bond_Acceptor_Count	2
59072033	Undefined_Bond_Stereo_Count	0
11126230	Covalent_Unit_Count	1
135019886	Hydrogen_Bond_Donor_Count	8
701016	Non-hydrogen_Atom_Count	19
162990684	Undefined_Bond_Stereo_Count	0
361739	Hydrogen_Bond_Donor_Count	0
89312617	Defined_Atom_Stereo_Count	0
8906	Structure_Complexity	221
5355019	Undefined_Bond_Stereo_Count	0
134587348	Defined_Atom_Stereo_Count	1
91488	Total_Formal_Charge	0
88889699	Total_Formal_Charge	0
31651	Defined_Bond_Stereo_Count	0
41721	Covalent_Unit_Count	2
10228095	Covalent_Unit_Count	1
16036825	Structure_Complexity	499
2724537	Exact_Mass	73.089149355
103451287	Mono_Isotopic_Weight	118.062994177
23695850	Undefined_Bond_Stereo_Count	0
251513	Structure_Complexity	258
3317081	XLogP3-AA	3.2
81927	Rotatable_Bond_Count	9
61080	Rotatable_Bond_Count	5
22909	Covalent_Unit_Count	1
486543	Defined_Atom_Stereo_Count	0
3055172	XLogP3	3.8
137224318	Undefined_Atom_Stereo_Count	0
721938	Undefined_Bond_Stereo_Count	0
70540665	Defined_Atom_Stereo_Count	0
50925625	Defined_Atom_Stereo_Count	1
147246726	Undefined_Atom_Stereo_Count	3
81110	Undefined_Bond_Stereo_Count	0
20653386	Undefined_Atom_Stereo_Count	2
574809	Defined_Bond_Stereo_Count	0
148244549	TPSA	41.8
22563961	Covalent_Unit_Count	1
72163100	Covalent_Unit_Count	1
71509158	Molecular_Weight	717.6
58420420	Undefined_Atom_Stereo_Count	0
3037082	XLogP3	3.1
84834	Exact_Mass	124.01941529
4520	Molecular_Weight	176.22
44310743	Hydrogen_Bond_Acceptor_Count	4
141407094	Defined_Bond_Stereo_Count	0
76403	Rotatable_Bond_Count	1
25116191	Rotatable_Bond_Count	6
6659	Rotatable_Bond_Count	2
11636795	Covalent_Unit_Count	1
15123310	Hydrogen_Bond_Acceptor_Count	3
17820196	Undefined_Atom_Stereo_Count	1
23667303	Isotope_Atom_Count	0
69462477	Structure_Complexity	76.8
3058737	XLogP3	1.8
20821286	Hydrogen_Bond_Donor_Count	0
46936995	Rotatable_Bond_Count	7
31227	Defined_Bond_Stereo_Count	0
642157	Rotatable_Bond_Count	0
16213473	Hydrogen_Bond_Acceptor_Count	8
44144429	Undefined_Bond_Stereo_Count	0
12425324	Non-hydrogen_Atom_Count	9
24832091	Molecular_Weight	454.5
22170205	Molecular_Weight	357.8
257501	Covalent_Unit_Count	1
45791261	Hydrogen_Bond_Donor_Count	1
55285855	Structure_Complexity	77.7
82982	Hydrogen_Bond_Acceptor_Count	7
6450232	Molecular_Weight	373.4
23694217	Hydrogen_Bond_Donor_Count	2
2724259	Undefined_Atom_Stereo_Count	0
3540	Covalent_Unit_Count	1
53387504	Defined_Atom_Stereo_Count	2
6444353	Mono_Isotopic_Weight	385.0878830
55276371	Rotatable_Bond_Count	0
2604	Covalent_Unit_Count	1
69085357	Isotope_Atom_Count	0
3081349	Defined_Atom_Stereo_Count	0
19793985	Exact_Mass	255.05315777
70933	Tautomer_Count	1
4346	Defined_Bond_Stereo_Count	0
56927690	Isotope_Atom_Count	0
18923110	Hydrogen_Bond_Acceptor_Count	2
42890	Undefined_Bond_Stereo_Count	0
84976	Rotatable_Bond_Count	4
594	Hydrogen_Bond_Acceptor_Count	4
88365	XLogP3	3.9
46856306	Rotatable_Bond_Count	4
441923	Isotope_Atom_Count	0
655960	Molecular_Weight	426.5
70695634	Tautomer_Count	1
6871212	Defined_Atom_Stereo_Count	0
13270940	Defined_Atom_Stereo_Count	0
664510	Hydrogen_Bond_Donor_Count	1
21987892	Structure_Complexity	144
21718270	Mono_Isotopic_Weight	116.058577502
129010082	Undefined_Atom_Stereo_Count	1
6834	Hydrogen_Bond_Acceptor_Count	2
5228468	Structure_Complexity	85.3
31041	Hydrogen_Bond_Acceptor_Count	1
19952	Covalent_Unit_Count	1
23617198	Molecular_Weight	458.9
8123	Tautomer_Count	1
9797798	Mono_Isotopic_Weight	335.07040306
123133975	Mono_Isotopic_Weight	813.45107043
11467403	TPSA	64.2
4535	Molecular_Weight	265.3
542305	Molecular_Weight	118.17
9577585	Hydrogen_Bond_Donor_Count	1
40030	Undefined_Atom_Stereo_Count	0
62835	Rotatable_Bond_Count	0
89138284	XLogP3-AA	1.8
3770186	Molecular_Weight	819.9
130796	Rotatable_Bond_Count	4
138948	Isotope_Atom_Count	0
85056	Hydrogen_Bond_Donor_Count	0
5493444	Mono_Isotopic_Weight	551.39343642
636368	Molecular_Weight	484.5
75412563	Mono_Isotopic_Weight	433.71509
11707110	Exact_Mass	615.07788
3799953	Mono_Isotopic_Weight	78.03774543
84647602	Hydrogen_Bond_Donor_Count	1
5327073	Structure_Complexity	575
657731	Exact_Mass	292.02113
12285862	Mono_Isotopic_Weight	180.06338810
23	Undefined_Atom_Stereo_Count	0
3497012	Mono_Isotopic_Weight	183.07696722
59792626	Defined_Atom_Stereo_Count	0
192160	TPSA	38.7
192197	Defined_Atom_Stereo_Count	2
5289613	Exact_Mass	234.05282342
3033851	Covalent_Unit_Count	1
57354313	Undefined_Bond_Stereo_Count	0
53788450	Defined_Bond_Stereo_Count	0
58208	Defined_Bond_Stereo_Count	0
129735833	Defined_Atom_Stereo_Count	0
54033586	Defined_Atom_Stereo_Count	0
36966	Hydrogen_Bond_Acceptor_Count	8
54700	Total_Formal_Charge	0
131750204	Non-hydrogen_Atom_Count	39
16726	TPSA	69.7
91231076	Non-hydrogen_Atom_Count	8
20690188	Undefined_Bond_Stereo_Count	0
468076	Hydrogen_Bond_Acceptor_Count	7
45157716	Hydrogen_Bond_Donor_Count	5
123938	Undefined_Atom_Stereo_Count	0
10991489	Rotatable_Bond_Count	4
463694	Defined_Bond_Stereo_Count	0
545800	Exact_Mass	184.219100893
18730041	XLogP3-AA	2.9
8133	Undefined_Atom_Stereo_Count	0
16058629	Defined_Bond_Stereo_Count	0
129860447	Structure_Complexity	42.8
34364440	Covalent_Unit_Count	1
517827	Undefined_Bond_Stereo_Count	0
124631517	Defined_Bond_Stereo_Count	0
4359436	Hydrogen_Bond_Acceptor_Count	2
87356557	Undefined_Atom_Stereo_Count	1
46899922	Rotatable_Bond_Count	5
5371	Exact_Mass	430.34469533
12571	Structure_Complexity	86.9
146158974	Defined_Bond_Stereo_Count	0
14017587	Structure_Complexity	386
89844	Undefined_Bond_Stereo_Count	0
43499891	Isotope_Atom_Count	0
75908	Undefined_Atom_Stereo_Count	0
6624	Non-hydrogen_Atom_Count	17
63610	XLogP3-AA	4.8
6289935	Total_Formal_Charge	0
2683	XLogP3-AA	8.7
638186	Mono_Isotopic_Weight	95.9533555
42955	XLogP3	3.7
19868281	Hydrogen_Bond_Donor_Count	2
65909	Undefined_Bond_Stereo_Count	0
440959	Covalent_Unit_Count	1
22022636	Rotatable_Bond_Count	0
5505	Total_Formal_Charge	0
71308696	Isotope_Atom_Count	0
3082754	Undefined_Bond_Stereo_Count	0
62412	Isotope_Atom_Count	0
11764	Rotatable_Bond_Count	0
13194811	Hydrogen_Bond_Acceptor_Count	3
95200	Total_Formal_Charge	0
5289247	Undefined_Bond_Stereo_Count	0
5194779	Covalent_Unit_Count	1
193290	Defined_Atom_Stereo_Count	0
689013	Total_Formal_Charge	0
2734389	Hydrogen_Bond_Donor_Count	2
11414871	Structure_Complexity	349
35161	Defined_Bond_Stereo_Count	0
26747	Rotatable_Bond_Count	7
9120	Defined_Atom_Stereo_Count	0
6473767	Hydrogen_Bond_Acceptor_Count	13
7172302	Structure_Complexity	99.3
2998624	XLogP3-AA	2.5
19938019	Isotope_Atom_Count	0
6429604	Covalent_Unit_Count	1
23462	Total_Formal_Charge	0
66379	Isotope_Atom_Count	0
61124202	Total_Formal_Charge	0
15148131	XLogP3-AA	0.6
134693234	Total_Formal_Charge	0
4113	Total_Formal_Charge	0
23557886	XLogP3-AA	0
6537503	XLogP3-AA	0.8
10734	Isotope_Atom_Count	0
131751505	Undefined_Bond_Stereo_Count	0
295258	Isotope_Atom_Count	0
84937	Defined_Bond_Stereo_Count	0
38971	Non-hydrogen_Atom_Count	29
8697	Molecular_Weight	144.21
71452498	Exact_Mass	535.12133477
13245716	Undefined_Bond_Stereo_Count	0
20591	Hydrogen_Bond_Acceptor_Count	3
1017	Covalent_Unit_Count	1
11438771	Hydrogen_Bond_Donor_Count	0
71308696	Defined_Bond_Stereo_Count	0
5282251	Hydrogen_Bond_Acceptor_Count	10
202195	Defined_Bond_Stereo_Count	0
42350	Total_Formal_Charge	0
143686076	Structure_Complexity	90.2
20494989	Defined_Bond_Stereo_Count	0
221523	Mono_Isotopic_Weight	84.057514874
6418147	Undefined_Bond_Stereo_Count	0
23552407	Defined_Atom_Stereo_Count	0
114946	Covalent_Unit_Count	1
475319	Isotope_Atom_Count	0
57399909	Undefined_Bond_Stereo_Count	0
3463	Total_Formal_Charge	0
8553	Undefined_Bond_Stereo_Count	0
130145308	Covalent_Unit_Count	1
53974092	TPSA	43.1
14784415	Molecular_Weight	97.12
92319	Structure_Complexity	284
151419	Non-hydrogen_Atom_Count	19
60200126	Structure_Complexity	802
23394557	TPSA	93.2
65875	Mono_Isotopic_Weight	309.147726857
67782142	Covalent_Unit_Count	1
124012131	Defined_Bond_Stereo_Count	0
79015	Exact_Mass	48.021129366
75640	Defined_Atom_Stereo_Count	0
44242317	Non-hydrogen_Atom_Count	42
165906267	Defined_Atom_Stereo_Count	0
9869218	Hydrogen_Bond_Donor_Count	2
63397	Undefined_Bond_Stereo_Count	0
490561	Isotope_Atom_Count	0
14295	TPSA	20.2
253350	Isotope_Atom_Count	0
16213546	Hydrogen_Bond_Acceptor_Count	6
154169739	Covalent_Unit_Count	1
16049374	Defined_Bond_Stereo_Count	0
14909256	Covalent_Unit_Count	1
69990	Hydrogen_Bond_Acceptor_Count	1
11815293	TPSA	43.1
12414280	Structure_Complexity	134
9846588	Isotope_Atom_Count	0
1489495	Defined_Bond_Stereo_Count	0
80695	Exact_Mass	481.99427965
69674601	XLogP3-AA	0.2
46930997	Defined_Bond_Stereo_Count	2
5624	Defined_Atom_Stereo_Count	0
5314562	TPSA	26.3
22263	Defined_Bond_Stereo_Count	0
22897807	Hydrogen_Bond_Donor_Count	0
71311141	Undefined_Bond_Stereo_Count	0
12268623	Defined_Atom_Stereo_Count	0
54541930	Exact_Mass	115.063328530
24848321	Exact_Mass	289.227988553
10057607	Defined_Atom_Stereo_Count	0
903755	Defined_Bond_Stereo_Count	0
297930	Non-hydrogen_Atom_Count	44
10034073	Covalent_Unit_Count	1
315341	Covalent_Unit_Count	1
44394119	Mono_Isotopic_Weight	599.23778211
22565	XLogP3-AA	3.1
134695353	Covalent_Unit_Count	1
24728612	Molecular_Weight	776.6
14926651	Undefined_Bond_Stereo_Count	0
141886129	Isotope_Atom_Count	0
12452021	Total_Formal_Charge	0
16686268	Total_Formal_Charge	0
174174	Non-hydrogen_Atom_Count	21
6169	Defined_Atom_Stereo_Count	5
56949747	Defined_Atom_Stereo_Count	4
184321	TPSA	3
12302694	Non-hydrogen_Atom_Count	23
9936727	Non-hydrogen_Atom_Count	37
20232381	Non-hydrogen_Atom_Count	6
44560703	Hydrogen_Bond_Donor_Count	2
542762	XLogP3-AA	1.3
144416139	Total_Formal_Charge	0
124823816	Structure_Complexity	634
6704	Covalent_Unit_Count	1
9874248	Undefined_Bond_Stereo_Count	0
6914	Isotope_Atom_Count	0
68019	Hydrogen_Bond_Donor_Count	0
550525	Exact_Mass	339.961063
12968	Undefined_Bond_Stereo_Count	0
854150	Isotope_Atom_Count	0
9962	TPSA	0
66903	Total_Formal_Charge	0
4262071	Non-hydrogen_Atom_Count	24
139383946	Mono_Isotopic_Weight	112.063662883
141248885	Defined_Atom_Stereo_Count	0
49766037	Covalent_Unit_Count	1
3730	Structure_Complexity	653
57394706	Defined_Atom_Stereo_Count	0
75842	Rotatable_Bond_Count	5
267571	Rotatable_Bond_Count	2
7864	XLogP3-AA	0.8
3036261	Non-hydrogen_Atom_Count	14
315201	Molecular_Weight	112.13
11188898	Mono_Isotopic_Weight	404.17697855
16134395	Defined_Atom_Stereo_Count	13
3016416	Total_Formal_Charge	0
72734332	Undefined_Bond_Stereo_Count	0
14205677	Undefined_Atom_Stereo_Count	0
87689	Non-hydrogen_Atom_Count	12
86018330	Mono_Isotopic_Weight	92.062600255
160556	Defined_Bond_Stereo_Count	0
68030	Tautomer_Count	1
73557521	Defined_Bond_Stereo_Count	0
21031	Rotatable_Bond_Count	0
74615	Defined_Atom_Stereo_Count	0
53920622	Defined_Bond_Stereo_Count	0
15551468	Hydrogen_Bond_Acceptor_Count	2
129428745	Molecular_Weight	480.7
159	Defined_Bond_Stereo_Count	0
716121	Mono_Isotopic_Weight	274.1236763
57565697	Total_Formal_Charge	0
91474	Total_Formal_Charge	0
23689036	Defined_Bond_Stereo_Count	0
25019940	Exact_Mass	557.22384613
19693843	Rotatable_Bond_Count	0
86609	Tautomer_Count	1
6326972	Total_Formal_Charge	0
90961655	Undefined_Atom_Stereo_Count	2
66320	Exact_Mass	109.98373652
102594	Hydrogen_Bond_Donor_Count	1
16667503	Exact_Mass	892.5353131
4617	Structure_Complexity	468
10975412	Isotope_Atom_Count	0
10041	Rotatable_Bond_Count	0
24871329	Rotatable_Bond_Count	4
26877	Structure_Complexity	835
60196293	Rotatable_Bond_Count	3
12873460	XLogP3-AA	1
129600762	Undefined_Atom_Stereo_Count	0
89131	Defined_Bond_Stereo_Count	0
10049	XLogP3	2.7
7068	TPSA	117
12960	TPSA	151
750284	Defined_Bond_Stereo_Count	0
188802	Covalent_Unit_Count	2
82502376	Mono_Isotopic_Weight	114.05416083
71309503	Structure_Complexity	151
1779	Defined_Atom_Stereo_Count	0
20387194	Hydrogen_Bond_Acceptor_Count	1
3000241	Non-hydrogen_Atom_Count	10
28936	TPSA	46.5
7017	Mono_Isotopic_Weight	170.073164938
131057	Molecular_Weight	241.29
57400037	Exact_Mass	434.05538
136582	Non-hydrogen_Atom_Count	7
70273609	Covalent_Unit_Count	1
9015	Covalent_Unit_Count	1
16051942	XLogP3-AA	3.8
9842127	XLogP3-AA	4.7
13135	Total_Formal_Charge	0
7270	Undefined_Bond_Stereo_Count	0
134755071	Non-hydrogen_Atom_Count	60
117	Hydrogen_Bond_Donor_Count	3
43146	Structure_Complexity	327
7232	Total_Formal_Charge	0
24802551	Undefined_Atom_Stereo_Count	1
9815578	Exact_Mass	199.074561919
135398517	Molecular_Weight	176.17
97341	Undefined_Atom_Stereo_Count	2
60165656	XLogP3-AA	3
137705114	Defined_Bond_Stereo_Count	0
23991	Rotatable_Bond_Count	0
12855	Undefined_Atom_Stereo_Count	0
49597	Hydrogen_Bond_Acceptor_Count	5
16050932	Rotatable_Bond_Count	4
11364421	Undefined_Bond_Stereo_Count	0
14511497	Non-hydrogen_Atom_Count	8
27967	Isotope_Atom_Count	0
534012	Isotope_Atom_Count	0
13449768	Isotope_Atom_Count	0
156422	Defined_Atom_Stereo_Count	0
6321253	Mono_Isotopic_Weight	338.21066147
24892842	Molecular_Weight	339.5
88027139	Defined_Atom_Stereo_Count	0
40468	Defined_Bond_Stereo_Count	0
14951968	Non-hydrogen_Atom_Count	8
66719	Hydrogen_Bond_Acceptor_Count	2
122433	Defined_Bond_Stereo_Count	0
7043	Hydrogen_Bond_Donor_Count	0
3047822	Hydrogen_Bond_Acceptor_Count	4
969491	Rotatable_Bond_Count	0
59736263	Hydrogen_Bond_Acceptor_Count	2
135413511	Hydrogen_Bond_Donor_Count	1
3086686	XLogP3-AA	2.6
110839	Hydrogen_Bond_Acceptor_Count	3
12041	Tautomer_Count	2
951	Defined_Bond_Stereo_Count	0
15982151	Structure_Complexity	718
2775149	Covalent_Unit_Count	2
98047	Defined_Bond_Stereo_Count	0
5312115	Tautomer_Count	1
5320250	Undefined_Bond_Stereo_Count	0
5289289	XLogP3-AA	1.5
5282706	Defined_Bond_Stereo_Count	1
136729	Covalent_Unit_Count	1
5367805	Hydrogen_Bond_Donor_Count	2
118701718	TPSA	46.5
136135	Rotatable_Bond_Count	0
11416	Structure_Complexity	56.4
8282	Molecular_Weight	119.16
20561716	Rotatable_Bond_Count	0
56935	Defined_Atom_Stereo_Count	0
5365811	Mono_Isotopic_Weight	98.073164938
398661	Hydrogen_Bond_Donor_Count	1
76258	Tautomer_Count	1
9916489	Structure_Complexity	880
14871	Rotatable_Bond_Count	14
35912	Isotope_Atom_Count	0
68195	Mono_Isotopic_Weight	355.06604838
16213698	Defined_Atom_Stereo_Count	18
90843502	Mono_Isotopic_Weight	112.052429494
124143	Undefined_Bond_Stereo_Count	0
66614	Total_Formal_Charge	0
101254311	Non-hydrogen_Atom_Count	12
15765924	Covalent_Unit_Count	1
4921934	Total_Formal_Charge	1
12950121	Rotatable_Bond_Count	1
78373	Undefined_Atom_Stereo_Count	0
9800068	Total_Formal_Charge	0
123535886	Defined_Atom_Stereo_Count	0
16760503	Isotope_Atom_Count	0
449488	Undefined_Bond_Stereo_Count	0
8345	TPSA	71.1
12872197	Structure_Complexity	96.3
121098	Covalent_Unit_Count	1
21389388	TPSA	38.3
6433101	XLogP3-AA	4.5
200164	Isotope_Atom_Count	0
5350	Total_Formal_Charge	0
16682730	Undefined_Atom_Stereo_Count	0
5364920	Undefined_Bond_Stereo_Count	0
44571221	Defined_Bond_Stereo_Count	0
90488914	Defined_Bond_Stereo_Count	0
340026	Hydrogen_Bond_Donor_Count	1
88396	Isotope_Atom_Count	0
12268623	Undefined_Atom_Stereo_Count	0
18771155	Rotatable_Bond_Count	2
54120990	Undefined_Atom_Stereo_Count	0
158786	Hydrogen_Bond_Donor_Count	4
15683	Hydrogen_Bond_Donor_Count	0
62871	TPSA	61.3
117963	Structure_Complexity	321
131567	Undefined_Bond_Stereo_Count	0
131714458	Mono_Isotopic_Weight	395.03581088
54675866	Mono_Isotopic_Weight	153.01878364
91250151	TPSA	17.1
48918	Non-hydrogen_Atom_Count	20
445063	Structure_Complexity	403
94811	Defined_Atom_Stereo_Count	0
74839	Molecular_Weight	207.23
8189	Undefined_Bond_Stereo_Count	0
91240583	Hydrogen_Bond_Donor_Count	2
23436	Isotope_Atom_Count	0
9919170	Structure_Complexity	1380
16130295	TPSA	2820
11643926	Defined_Atom_Stereo_Count	0
17298	Rotatable_Bond_Count	5
91442807	XLogP3-AA	5.1
26731	Covalent_Unit_Count	1
20823772	Undefined_Atom_Stereo_Count	0
279062	Total_Formal_Charge	0
163668741	Total_Formal_Charge	0
53682689	Molecular_Weight	98.14
61119	Hydrogen_Bond_Donor_Count	0
85382	Isotope_Atom_Count	0
46841789	Structure_Complexity	808
13728301	Undefined_Atom_Stereo_Count	2
56330	Mono_Isotopic_Weight	417.22637110
8691	Isotope_Atom_Count	0
5324683	XLogP3-AA	1.3
711656	Total_Formal_Charge	0
5319	Exact_Mass	276.05686342
11224214	Non-hydrogen_Atom_Count	32
124905	Total_Formal_Charge	0
21851	Structure_Complexity	175
15295	Undefined_Bond_Stereo_Count	0
1721	Hydrogen_Bond_Donor_Count	6
128814	Defined_Bond_Stereo_Count	0
139595130	Hydrogen_Bond_Acceptor_Count	16
71517868	Defined_Atom_Stereo_Count	1
82593534	TPSA	32.3
79691	Non-hydrogen_Atom_Count	13
123133899	Structure_Complexity	1420
5460348	Undefined_Bond_Stereo_Count	0
53627587	Structure_Complexity	72.1
135648979	Undefined_Atom_Stereo_Count	0
123358	Isotope_Atom_Count	0
6437377	Hydrogen_Bond_Acceptor_Count	8
46203139	Molecular_Weight	514.4
11934	TPSA	0
62669683	Isotope_Atom_Count	0
6537099	Covalent_Unit_Count	1
53779803	Rotatable_Bond_Count	1
12313776	Isotope_Atom_Count	0
20351642	Mono_Isotopic_Weight	254.08171824
68624	Defined_Bond_Stereo_Count	0
129634850	Isotope_Atom_Count	0
132274082	TPSA	279
5459361	Rotatable_Bond_Count	42
21930812	Non-hydrogen_Atom_Count	9
7156900	Non-hydrogen_Atom_Count	23
61691030	Rotatable_Bond_Count	2
20784557	Total_Formal_Charge	0
242426	Hydrogen_Bond_Donor_Count	2
119435	Defined_Bond_Stereo_Count	0
95200	Hydrogen_Bond_Donor_Count	0
60196425	Molecular_Weight	491.3
34572	Undefined_Atom_Stereo_Count	0
91589206	Rotatable_Bond_Count	1
6358	Hydrogen_Bond_Acceptor_Count	0
12302675	Mono_Isotopic_Weight	342.11621151
54767229	Hydrogen_Bond_Donor_Count	1
21800	Total_Formal_Charge	0
119097293	Covalent_Unit_Count	1
65452	Total_Formal_Charge	0
548545	Covalent_Unit_Count	1
20508	Covalent_Unit_Count	1
5280450	Molecular_Weight	280.4
135887824	Undefined_Atom_Stereo_Count	4
87367	Mono_Isotopic_Weight	293.16584950
19802062	Defined_Bond_Stereo_Count	0
64738	Non-hydrogen_Atom_Count	21
43961	Covalent_Unit_Count	1
91599894	Molecular_Weight	110.20
4996851	XLogP3-AA	0.7
29685	Mono_Isotopic_Weight	341.13755610
10125048	Mono_Isotopic_Weight	86.048012819
90754	Covalent_Unit_Count	1
24846	Molecular_Weight	164.14
24794350	Rotatable_Bond_Count	3
92806	Non-hydrogen_Atom_Count	24
334	Non-hydrogen_Atom_Count	29
75828	Mono_Isotopic_Weight	265.89008
825522	TPSA	52.6
58938020	Structure_Complexity	63.1
875	TPSA	115
73707487	Defined_Bond_Stereo_Count	0
2724951	TPSA	58.2
2734224	Tautomer_Count	1
79161	TPSA	0
61749380	Rotatable_Bond_Count	2
10239891	Isotope_Atom_Count	0
42993	Undefined_Bond_Stereo_Count	0
1517	XLogP3-AA	7.5
11595	Covalent_Unit_Count	1
5355026	Defined_Atom_Stereo_Count	0
17174	Defined_Bond_Stereo_Count	0
56608900	TPSA	9.2
87161809	Structure_Complexity	110
67126	Defined_Atom_Stereo_Count	0
6432591	Hydrogen_Bond_Donor_Count	0
457831	Defined_Bond_Stereo_Count	0
163872483	Isotope_Atom_Count	0
90579	XLogP3	1.5
4714967	Isotope_Atom_Count	0
9548611	Defined_Atom_Stereo_Count	0
1752	Rotatable_Bond_Count	8
5281614	XLogP3-AA	2
534283	Isotope_Atom_Count	0
135977933	Covalent_Unit_Count	1
6440175	Molecular_Weight	585.7
16211009	TPSA	86
57667	Isotope_Atom_Count	0
2764838	Rotatable_Bond_Count	1
19502	Hydrogen_Bond_Donor_Count	0
4912932	Structure_Complexity	127
49721	Hydrogen_Bond_Donor_Count	0
54758034	Defined_Bond_Stereo_Count	0
22123474	Defined_Atom_Stereo_Count	0
18542	Defined_Atom_Stereo_Count	0
16059	Defined_Bond_Stereo_Count	0
15981397	Hydrogen_Bond_Donor_Count	1
13005	Structure_Complexity	122
17076	Isotope_Atom_Count	0
60947	Defined_Bond_Stereo_Count	0
521151	XLogP3-AA	0.3
79577298	Isotope_Atom_Count	0
699222	TPSA	77
54255838	Non-hydrogen_Atom_Count	8
3009817	Isotope_Atom_Count	0
160244305	Defined_Atom_Stereo_Count	12
6479653	Defined_Bond_Stereo_Count	7
14825	Total_Formal_Charge	0
213046	Defined_Bond_Stereo_Count	0
146157955	Mono_Isotopic_Weight	867.49802062
49806720	Non-hydrogen_Atom_Count	36
5280880	Defined_Atom_Stereo_Count	3
62946	Hydrogen_Bond_Donor_Count	2
20087060	Hydrogen_Bond_Acceptor_Count	3
9813985	Molecular_Weight	267.3
135409452	Hydrogen_Bond_Acceptor_Count	3
14911569	Defined_Atom_Stereo_Count	0
9244	Rotatable_Bond_Count	0
72075	TPSA	6.5
93146	Covalent_Unit_Count	1
5460700	Defined_Bond_Stereo_Count	0
7496	TPSA	142
596	Hydrogen_Bond_Donor_Count	4
57396213	Undefined_Atom_Stereo_Count	0
144416139	Isotope_Atom_Count	0
6427080	XLogP3-AA	2.6
10134310	Defined_Atom_Stereo_Count	0
35703	Molecular_Weight	190.19
67371	Exact_Mass	477.2030488
1730	Hydrogen_Bond_Acceptor_Count	2
89875063	TPSA	20.2
127894	Total_Formal_Charge	0
15475335	TPSA	48.9
52931497	Hydrogen_Bond_Acceptor_Count	8
837924	Undefined_Atom_Stereo_Count	0
9307	Molecular_Weight	211.21
10885	Undefined_Atom_Stereo_Count	0
57392505	Undefined_Atom_Stereo_Count	1
81653	Tautomer_Count	1
7415	Exact_Mass	127.136099547
4369233	Covalent_Unit_Count	1
10091748	Structure_Complexity	586
12939	Undefined_Bond_Stereo_Count	0
58221870	Isotope_Atom_Count	0
28639	Defined_Bond_Stereo_Count	0
527072	TPSA	0
23674745	Undefined_Bond_Stereo_Count	0
91322204	Total_Formal_Charge	0
22181493	Mono_Isotopic_Weight	96.068748264
222572	TPSA	23.6
109318	Isotope_Atom_Count	0
221511	Total_Formal_Charge	0
10444765	Mono_Isotopic_Weight	249.172878976
21210	Structure_Complexity	54.9
735940	Non-hydrogen_Atom_Count	10
4578030	Mono_Isotopic_Weight	300.13615911
232838	TPSA	60.8
53321035	Defined_Bond_Stereo_Count	1
124037382	Structure_Complexity	19100
14529	TPSA	20.2
10813969	Undefined_Atom_Stereo_Count	0
38706	Non-hydrogen_Atom_Count	12
446578	Hydrogen_Bond_Donor_Count	3
3048339	Exact_Mass	231.162314293
71812105	Exact_Mass	291.18344366
141010	Non-hydrogen_Atom_Count	14
13991585	Covalent_Unit_Count	1
45933886	Defined_Atom_Stereo_Count	4
53489	Hydrogen_Bond_Donor_Count	2
1971	Isotope_Atom_Count	0
5305	Exact_Mass	390.230728204
87359450	TPSA	30.9
22033763	Mono_Isotopic_Weight	98.036779430
293	Total_Formal_Charge	0
54411340	Covalent_Unit_Count	1
633526	TPSA	27.7
16659677	Isotope_Atom_Count	0
11737	Isotope_Atom_Count	0
67296898	Mono_Isotopic_Weight	114.068079557
14481877	Covalent_Unit_Count	1
567	Molecular_Weight	277.70
2603	Undefined_Bond_Stereo_Count	0
815404	Undefined_Atom_Stereo_Count	0
53238011	Defined_Atom_Stereo_Count	0
5709759	Undefined_Bond_Stereo_Count	0
6433586	Hydrogen_Bond_Donor_Count	6
7026090	XLogP3-AA	0
5288499	Defined_Atom_Stereo_Count	8
97865	TPSA	77
166653	Structure_Complexity	0
69333614	Structure_Complexity	66.7
20484	Hydrogen_Bond_Acceptor_Count	6
47319	Tautomer_Count	1
3299	Defined_Atom_Stereo_Count	0
13187	Rotatable_Bond_Count	6
442866	Structure_Complexity	338
9581	TPSA	32.3
3326	Non-hydrogen_Atom_Count	28
11392	Total_Formal_Charge	0
2346	Structure_Complexity	132
78819	Undefined_Atom_Stereo_Count	0
12536263	Hydrogen_Bond_Donor_Count	3
91427979	Hydrogen_Bond_Acceptor_Count	0
23622962	Isotope_Atom_Count	0
129009974	Defined_Atom_Stereo_Count	12
31300	Isotope_Atom_Count	0
15981894	Hydrogen_Bond_Acceptor_Count	9
2724275	Undefined_Bond_Stereo_Count	0
96201	XLogP3-AA	4.9
9596	Undefined_Atom_Stereo_Count	0
54680692	Defined_Bond_Stereo_Count	0
11151622	Defined_Bond_Stereo_Count	1
101630689	Rotatable_Bond_Count	6
83735	Undefined_Atom_Stereo_Count	0
70590037	Covalent_Unit_Count	4
6440459	Defined_Bond_Stereo_Count	1
22601	Defined_Bond_Stereo_Count	0
24848177	Defined_Atom_Stereo_Count	0
6539017	Total_Formal_Charge	0
135594347	Rotatable_Bond_Count	5
18048	Total_Formal_Charge	0
16754849	TPSA	75.1
5013	Mono_Isotopic_Weight	227.142247555
11009	Undefined_Bond_Stereo_Count	0
90997437	Exact_Mass	416.32904526
88984133	Exact_Mass	104.094963011
143399	Undefined_Atom_Stereo_Count	0
51043	Undefined_Atom_Stereo_Count	0
18387331	Mono_Isotopic_Weight	99.104799419
6453603	Defined_Atom_Stereo_Count	0
15408	Total_Formal_Charge	0
21852125	Non-hydrogen_Atom_Count	14
442076	Undefined_Atom_Stereo_Count	1
31216	Total_Formal_Charge	0
2826731	Mono_Isotopic_Weight	255.0784668
13316167	Non-hydrogen_Atom_Count	11
13389	Undefined_Bond_Stereo_Count	0
17352	Exact_Mass	71.073499291
2129427	Undefined_Bond_Stereo_Count	0
1016	Hydrogen_Bond_Acceptor_Count	7
55285439	Mono_Isotopic_Weight	99.068413911
6492	Isotope_Atom_Count	0
22660626	Rotatable_Bond_Count	0
19042	Tautomer_Count	1
12931852	Molecular_Weight	82.10
14410	Rotatable_Bond_Count	2
54303	Total_Formal_Charge	0
101694728	Undefined_Bond_Stereo_Count	0
9962	Total_Formal_Charge	0
66199	Hydrogen_Bond_Donor_Count	0
9938326	Isotope_Atom_Count	0
13848132	Total_Formal_Charge	0
78377	Tautomer_Count	1
91861230	TPSA	190
69695	Non-hydrogen_Atom_Count	11
7963	Total_Formal_Charge	0
130541995	Hydrogen_Bond_Donor_Count	0
72640182	Defined_Atom_Stereo_Count	0
9961878	Defined_Bond_Stereo_Count	0
5461016	Undefined_Atom_Stereo_Count	0
2762906	Covalent_Unit_Count	1
42405	XLogP3-AA	3.8
25240297	Covalent_Unit_Count	1
92363	Undefined_Bond_Stereo_Count	0
82337	Rotatable_Bond_Count	2
19017820	Defined_Bond_Stereo_Count	0
12341793	Structure_Complexity	365
6918585	Covalent_Unit_Count	1
5151436	Total_Formal_Charge	0
108888	Total_Formal_Charge	0
7989	Rotatable_Bond_Count	3
544380	Defined_Bond_Stereo_Count	0
18506428	Hydrogen_Bond_Donor_Count	2
54732122	Undefined_Bond_Stereo_Count	0
78382	Non-hydrogen_Atom_Count	12
130659	Exact_Mass	502.97075483
196129	Undefined_Bond_Stereo_Count	0
91538	Rotatable_Bond_Count	1
26350	Hydrogen_Bond_Acceptor_Count	3
74370	Structure_Complexity	1030
11554076	Hydrogen_Bond_Donor_Count	1
12870232	Undefined_Atom_Stereo_Count	0
134399	Structure_Complexity	86.9
145307712	Mono_Isotopic_Weight	107.037113783
67236438	Hydrogen_Bond_Donor_Count	3
15940571	Hydrogen_Bond_Donor_Count	2
66304	Exact_Mass	154.054751968
6419807	Exact_Mass	328.1090889
90713931	Rotatable_Bond_Count	15
102138	Structure_Complexity	2.8
101587427	Hydrogen_Bond_Acceptor_Count	3
23422066	Mono_Isotopic_Weight	162.05416083
44144429	Mono_Isotopic_Weight	559.12774
564980	XLogP3-AA	0.7
6828	Isotope_Atom_Count	0
9949648	Covalent_Unit_Count	1
824	Isotope_Atom_Count	0
3604	Mono_Isotopic_Weight	202.240898965
18923030	Isotope_Atom_Count	0
439647	Total_Formal_Charge	0
2803	Exact_Mass	229.0173527
56036	Covalent_Unit_Count	1
16133802	Hydrogen_Bond_Acceptor_Count	41
1979	Mono_Isotopic_Weight	169.110278721
135618150	Hydrogen_Bond_Donor_Count	10
25192277	Hydrogen_Bond_Acceptor_Count	7
69588	Undefined_Bond_Stereo_Count	0
55290394	Exact_Mass	113.047678466
37034	Defined_Bond_Stereo_Count	0
66615678	Covalent_Unit_Count	1
12560	Undefined_Atom_Stereo_Count	0
3073	Non-hydrogen_Atom_Count	11
15096	Structure_Complexity	104
58506875	Covalent_Unit_Count	1
1222	Hydrogen_Bond_Donor_Count	3
89748954	XLogP3-AA	1.6
159603835	Non-hydrogen_Atom_Count	8
3037918	Hydrogen_Bond_Acceptor_Count	1
160889158	Structure_Complexity	87.4
156588860	Hydrogen_Bond_Acceptor_Count	14
10100	Structure_Complexity	397
6776	Undefined_Bond_Stereo_Count	0
60196286	Undefined_Atom_Stereo_Count	0
3003791	Rotatable_Bond_Count	2
23090608	Defined_Atom_Stereo_Count	0
12596294	Hydrogen_Bond_Acceptor_Count	2
65055	Defined_Bond_Stereo_Count	0
44345665	Covalent_Unit_Count	1
198212	Non-hydrogen_Atom_Count	13
20872204	Defined_Bond_Stereo_Count	0
10460941	Molecular_Weight	584.7
12502754	Isotope_Atom_Count	0
73093	Rotatable_Bond_Count	9
639095	Hydrogen_Bond_Donor_Count	1
123870	Defined_Atom_Stereo_Count	0
44456	Structure_Complexity	305
6496	Covalent_Unit_Count	1
643208	Defined_Bond_Stereo_Count	0
13791578	Covalent_Unit_Count	1
6318	Total_Formal_Charge	0
649153	Molecular_Weight	455.5
73895	Tautomer_Count	1
11053509	Rotatable_Bond_Count	1
45488111	Mono_Isotopic_Weight	444.12093841
54463873	Isotope_Atom_Count	0
3033953	Hydrogen_Bond_Acceptor_Count	9
27891	Covalent_Unit_Count	2
3035406	Rotatable_Bond_Count	23
866077	Defined_Atom_Stereo_Count	0
989	Non-hydrogen_Atom_Count	9
704481	Defined_Atom_Stereo_Count	2
189821	Molecular_Weight	441.5
5281104	Non-hydrogen_Atom_Count	30
15133384	Isotope_Atom_Count	0
85764696	Molecular_Weight	114.14
4195	Undefined_Bond_Stereo_Count	0
32708	TPSA	65.7
5282241	Hydrogen_Bond_Donor_Count	6
9868041	Mono_Isotopic_Weight	443.12633996
442966	Covalent_Unit_Count	1
174341	Structure_Complexity	345
11764862	Undefined_Bond_Stereo_Count	0
5281575	Isotope_Atom_Count	0
10236005	Mono_Isotopic_Weight	129.042593085
10434	Molecular_Weight	112.13
6413	Total_Formal_Charge	0
253	TPSA	104
115034	Tautomer_Count	1
57398392	Undefined_Atom_Stereo_Count	0
5702162	Structure_Complexity	303
51941	Exact_Mass	117.102788042
147165509	TPSA	0
156414	Hydrogen_Bond_Donor_Count	2
7021156	Rotatable_Bond_Count	4
125037259	Isotope_Atom_Count	0
85689	Undefined_Bond_Stereo_Count	0
54684461	Hydrogen_Bond_Acceptor_Count	10
17673	Defined_Atom_Stereo_Count	0
4194	Mono_Isotopic_Weight	883.45654973
69656	Undefined_Bond_Stereo_Count	0
70383887	Rotatable_Bond_Count	0
12630477	Rotatable_Bond_Count	0
3041255	Isotope_Atom_Count	0
2118	Exact_Mass	308.0828741
1197	Non-hydrogen_Atom_Count	20
25125217	Mono_Isotopic_Weight	487.18312413
11593431	Mono_Isotopic_Weight	88.052429494
79012	Tautomer_Count	1
67066652	Molecular_Weight	116.11
4141	Hydrogen_Bond_Donor_Count	0
55423	Hydrogen_Bond_Donor_Count	1
195906	Defined_Atom_Stereo_Count	0
16049374	Exact_Mass	481.1260618
139355316	Exact_Mass	342.11621151
10263	Hydrogen_Bond_Donor_Count	0
969152	Hydrogen_Bond_Donor_Count	1
8449	Undefined_Bond_Stereo_Count	0
10045495	Total_Formal_Charge	0
85912645	Total_Formal_Charge	0
13531383	Tautomer_Count	1
13761353	Defined_Bond_Stereo_Count	0
526715	Hydrogen_Bond_Acceptor_Count	5
705388	Rotatable_Bond_Count	3
60196273	Undefined_Bond_Stereo_Count	0
35763	Non-hydrogen_Atom_Count	11
92041	Mono_Isotopic_Weight	158.04915563
35075	Structure_Complexity	187
45110509	Undefined_Bond_Stereo_Count	0
8485	XLogP3	7
57882	Rotatable_Bond_Count	11
10005402	Hydrogen_Bond_Acceptor_Count	9
6436138	Defined_Atom_Stereo_Count	0
70555429	Molecular_Weight	96.09
4557	Covalent_Unit_Count	1
10263	Defined_Bond_Stereo_Count	0
9047	Structure_Complexity	376
1551	Isotope_Atom_Count	0
820103	XLogP3-AA	4.2
15365	Covalent_Unit_Count	1
22096568	Defined_Bond_Stereo_Count	0
11198850	Non-hydrogen_Atom_Count	27
9183	Undefined_Bond_Stereo_Count	0
23567810	Non-hydrogen_Atom_Count	8
15293	Exact_Mass	158.130679813
5967	Non-hydrogen_Atom_Count	42
16219580	Hydrogen_Bond_Acceptor_Count	6
8559	XLogP3	4
46945256	Hydrogen_Bond_Donor_Count	3
2776282	Structure_Complexity	525
36933	Structure_Complexity	320
64617	Mono_Isotopic_Weight	276.183778013
398739	Non-hydrogen_Atom_Count	19
29982856	TPSA	190
16748289	Molecular_Weight	318.3
11626560	Hydrogen_Bond_Acceptor_Count	6
123597800	Covalent_Unit_Count	1
1394	Rotatable_Bond_Count	21
453359	Undefined_Atom_Stereo_Count	0
129009927	Covalent_Unit_Count	1
71323	Covalent_Unit_Count	1
270840	Defined_Bond_Stereo_Count	0
24901141	Hydrogen_Bond_Acceptor_Count	6
21889252	Undefined_Atom_Stereo_Count	0
28499	Rotatable_Bond_Count	8
14870212	Defined_Bond_Stereo_Count	0
89216	Defined_Atom_Stereo_Count	0
4683	Exact_Mass	319.07257305
34991	Non-hydrogen_Atom_Count	20
5817	Undefined_Atom_Stereo_Count	0
156599244	XLogP3-AA	5.1
536549	Isotope_Atom_Count	0
6336505	Hydrogen_Bond_Donor_Count	3
10774305	Isotope_Atom_Count	0
6419942	Molecular_Weight	302.16
42648	Total_Formal_Charge	0
13035120	Total_Formal_Charge	0
696	Structure_Complexity	220
17833	Total_Formal_Charge	0
14647	XLogP3-AA	4.7
82982	Molecular_Weight	572.6
5462350	Defined_Atom_Stereo_Count	4
431097	Undefined_Bond_Stereo_Count	0
133562785	Isotope_Atom_Count	0
2064030	Hydrogen_Bond_Acceptor_Count	1
18510	Isotope_Atom_Count	0
19646	Hydrogen_Bond_Acceptor_Count	6
60569	Non-hydrogen_Atom_Count	18
14018	Undefined_Atom_Stereo_Count	0
16212984	Structure_Complexity	54.9
20623561	Covalent_Unit_Count	1
5017	Isotope_Atom_Count	0
5381	Tautomer_Count	1
461128	Isotope_Atom_Count	0
81045	Undefined_Bond_Stereo_Count	0
5351154	Exact_Mass	184.11849242
8434	TPSA	46.5
2366	Hydrogen_Bond_Donor_Count	1
147577	XLogP3-AA	3.9
5754	Isotope_Atom_Count	0
23262897	Rotatable_Bond_Count	1
59665343	Covalent_Unit_Count	1
6378649	Exact_Mass	156.115029749
57394836	Undefined_Bond_Stereo_Count	0
72747174	Mono_Isotopic_Weight	100.100048391
12669677	Hydrogen_Bond_Donor_Count	0
3826	Rotatable_Bond_Count	3
169	Hydrogen_Bond_Acceptor_Count	4
124604783	Defined_Bond_Stereo_Count	2
23483	Tautomer_Count	1
91298633	Undefined_Bond_Stereo_Count	0
76355	Exact_Mass	114.068079557
83045	Isotope_Atom_Count	0
524409	Hydrogen_Bond_Donor_Count	0
6539020	Hydrogen_Bond_Donor_Count	1
415267	Hydrogen_Bond_Donor_Count	0
20387201	Defined_Bond_Stereo_Count	0
44567678	Exact_Mass	1814.6085580
46910592	Mono_Isotopic_Weight	658.22975722
3420996	Isotope_Atom_Count	0
12102501	Hydrogen_Bond_Acceptor_Count	3
7588	Non-hydrogen_Atom_Count	22
6918474	Undefined_Atom_Stereo_Count	0
142882	Undefined_Atom_Stereo_Count	0
9841	Isotope_Atom_Count	0
5727	Rotatable_Bond_Count	0
12254	Exact_Mass	88.063662883
80873	Hydrogen_Bond_Donor_Count	4
8419	Hydrogen_Bond_Acceptor_Count	3
1551246	Isotope_Atom_Count	0
107319	Defined_Bond_Stereo_Count	0
146158371	Structure_Complexity	915
37864	TPSA	29.5
20979505	Hydrogen_Bond_Donor_Count	0
19829703	TPSA	64.2
24965990	Tautomer_Count	1
75690	Mono_Isotopic_Weight	254.13382109
54246209	Covalent_Unit_Count	1
16212247	Rotatable_Bond_Count	0
705145	Rotatable_Bond_Count	6
159671	Exact_Mass	236.061382
12193680	Undefined_Bond_Stereo_Count	0
16305	Structure_Complexity	162
10441672	Covalent_Unit_Count	1
9949648	Defined_Atom_Stereo_Count	1
62820	Rotatable_Bond_Count	3
123816919	Exact_Mass	108.093900383
4368	Total_Formal_Charge	0
36272	Structure_Complexity	710
133134	Undefined_Bond_Stereo_Count	0
2816105	Undefined_Atom_Stereo_Count	0
9290	Hydrogen_Bond_Donor_Count	10
21719953	Total_Formal_Charge	0
49852291	Mono_Isotopic_Weight	412.1764997
44338970	Total_Formal_Charge	0
44033	Exact_Mass	367.1081396
6834	Defined_Atom_Stereo_Count	0
131885396	Defined_Atom_Stereo_Count	0
123164	Exact_Mass	14.0156500638
24417	Defined_Bond_Stereo_Count	0
12669	Tautomer_Count	1
6321412	Undefined_Bond_Stereo_Count	0
4277	Covalent_Unit_Count	1
9989224	Tautomer_Count	4
44310838	Hydrogen_Bond_Acceptor_Count	7
146159872	Hydrogen_Bond_Acceptor_Count	17
12637126	Undefined_Bond_Stereo_Count	0
22829	Structure_Complexity	593
15475284	Molecular_Weight	97.16
456190	Isotope_Atom_Count	0
52943923	Covalent_Unit_Count	1
547096	Hydrogen_Bond_Acceptor_Count	1
15411	Isotope_Atom_Count	0
12990	TPSA	17.1
39272	Total_Formal_Charge	0
7506	Tautomer_Count	1
17905	Hydrogen_Bond_Acceptor_Count	1
10112	Isotope_Atom_Count	0
22749	XLogP3-AA	2
81864	Non-hydrogen_Atom_Count	8
57397461	Exact_Mass	409.0209280
17074	Mono_Isotopic_Weight	157.945683
2156	XLogP3	7.6
76171	Hydrogen_Bond_Donor_Count	1
53631439	Hydrogen_Bond_Acceptor_Count	2
6420071	Covalent_Unit_Count	2
12487265	Isotope_Atom_Count	0
90708518	Hydrogen_Bond_Donor_Count	1
5282948	Isotope_Atom_Count	0
12481	Hydrogen_Bond_Donor_Count	1
159269	Defined_Atom_Stereo_Count	3
18349198	Hydrogen_Bond_Donor_Count	1
118360945	Undefined_Bond_Stereo_Count	0
5360134	Defined_Atom_Stereo_Count	0
20448997	Covalent_Unit_Count	1
6857474	Total_Formal_Charge	0
1422	Total_Formal_Charge	0
14944519	Rotatable_Bond_Count	21
16219567	Hydrogen_Bond_Donor_Count	8
87639	Structure_Complexity	292
642669	Exact_Mass	224.11609238
134754219	Rotatable_Bond_Count	3
145640699	Hydrogen_Bond_Acceptor_Count	2
12031310	Defined_Bond_Stereo_Count	0
25142699	Rotatable_Bond_Count	3
358641	Defined_Bond_Stereo_Count	0
54280	Total_Formal_Charge	0
66374	Hydrogen_Bond_Donor_Count	0
70690020	Exact_Mass	417.21647512
47531	Total_Formal_Charge	0
5232201	Defined_Bond_Stereo_Count	0
4868	Isotope_Atom_Count	0
44567097	Undefined_Bond_Stereo_Count	0
122903	Defined_Bond_Stereo_Count	0
12298579	Covalent_Unit_Count	1
17174	Molecular_Weight	110.11
3032279	Hydrogen_Bond_Acceptor_Count	7
5408	Molecular_Weight	288.4
439215	Defined_Atom_Stereo_Count	4
62858	Defined_Bond_Stereo_Count	0
130232326	Non-hydrogen_Atom_Count	38
125889	Exact_Mass	159.125928785
76044	Non-hydrogen_Atom_Count	26
21685	Defined_Bond_Stereo_Count	0
54688686	Undefined_Bond_Stereo_Count	0
15394	Defined_Bond_Stereo_Count	0
49621	Isotope_Atom_Count	0
78123	Structure_Complexity	177
10220680	Undefined_Atom_Stereo_Count	0
2741	Defined_Atom_Stereo_Count	0
56834578	Hydrogen_Bond_Acceptor_Count	8
16219102	Isotope_Atom_Count	0
525424	Covalent_Unit_Count	1
14012	Covalent_Unit_Count	4
10820564	Defined_Atom_Stereo_Count	0
9746	Undefined_Atom_Stereo_Count	0
44565819	Isotope_Atom_Count	0
8362	Rotatable_Bond_Count	3
1194	Total_Formal_Charge	0
87217	Covalent_Unit_Count	1
317062	Covalent_Unit_Count	1
77072	Total_Formal_Charge	1
82313	Tautomer_Count	2
31041	Non-hydrogen_Atom_Count	18
557816	Mono_Isotopic_Weight	112.052429494
6710780	Hydrogen_Bond_Donor_Count	3
19870792	Defined_Bond_Stereo_Count	0
62383	Structure_Complexity	57.6
46931005	Isotope_Atom_Count	0
28754	Covalent_Unit_Count	1
27781	TPSA	23.6
11514319	Molecular_Weight	249.26
3707	Undefined_Bond_Stereo_Count	0
25008767	Undefined_Atom_Stereo_Count	0
21496049	Covalent_Unit_Count	1
72002	Hydrogen_Bond_Donor_Count	2
11249342	Undefined_Bond_Stereo_Count	0
398655	Exact_Mass	431.0520275
582251	Non-hydrogen_Atom_Count	6
11182600	Molecular_Weight	117.15
2032	Hydrogen_Bond_Donor_Count	2
4044	TPSA	49.3
852452	Rotatable_Bond_Count	2
131204	Rotatable_Bond_Count	6
57734486	Defined_Bond_Stereo_Count	1
453	Isotope_Atom_Count	0
104805	Defined_Bond_Stereo_Count	0
527031	Undefined_Bond_Stereo_Count	0
444474	Exact_Mass	239.13822480
10290	Undefined_Bond_Stereo_Count	0
103023	TPSA	90.2
637541	Molecular_Weight	164.16
11073371	Isotope_Atom_Count	0
10613	Structure_Complexity	246
22129037	Non-hydrogen_Atom_Count	8
14818447	TPSA	0
2723766	Undefined_Bond_Stereo_Count	0
49765077	Undefined_Atom_Stereo_Count	0
9827982	Molecular_Weight	518.9
10138259	Isotope_Atom_Count	0
6440013	Non-hydrogen_Atom_Count	59
131954782	Mono_Isotopic_Weight	1348.60159125
6527	TPSA	44.8
402045	Structure_Complexity	719
94459	TPSA	28.2
630355	Rotatable_Bond_Count	4
7790	TPSA	52.6
134693629	Hydrogen_Bond_Donor_Count	0
235090	Tautomer_Count	2
1108	Non-hydrogen_Atom_Count	17
29138	Non-hydrogen_Atom_Count	26
446094	TPSA	42.5
6379	Structure_Complexity	19.1
126514322	Total_Formal_Charge	0
867	Molecular_Weight	104.06
101649230	Undefined_Bond_Stereo_Count	0
44442053	Hydrogen_Bond_Donor_Count	2
12604	Undefined_Atom_Stereo_Count	0
41794	Rotatable_Bond_Count	2
2219	Isotope_Atom_Count	0
18850	Undefined_Atom_Stereo_Count	0
10864881	Structure_Complexity	80.6
45356872	Defined_Bond_Stereo_Count	0
11254899	Structure_Complexity	156
5639	Hydrogen_Bond_Donor_Count	1
67683363	Undefined_Atom_Stereo_Count	0
30541	Molecular_Weight	277.4
21721168	Mono_Isotopic_Weight	129.01878364
2335	Exact_Mass	412.321554582
670359	Isotope_Atom_Count	0
134693629	Defined_Bond_Stereo_Count	0
10987215	Isotope_Atom_Count	0
57401683	Mono_Isotopic_Weight	452.18821194
26130	Tautomer_Count	1
87322	Isotope_Atom_Count	0
11534837	Mono_Isotopic_Weight	418.0570545
88318	Mono_Isotopic_Weight	87.104799419
14415253	Rotatable_Bond_Count	1
45358438	Total_Formal_Charge	0
7201	Mono_Isotopic_Weight	135.104799419
5329020	Undefined_Bond_Stereo_Count	0
71582942	TPSA	63.2
9901617	Molecular_Weight	320.3
25306	Isotope_Atom_Count	0
90903483	Undefined_Bond_Stereo_Count	0
10110	XLogP3-AA	0.3
4456484	Hydrogen_Bond_Acceptor_Count	12
1505	Defined_Atom_Stereo_Count	0
21941444	Structure_Complexity	96.4
52948174	Structure_Complexity	709
14913584	TPSA	47.6
54339	Hydrogen_Bond_Acceptor_Count	3
413544	Non-hydrogen_Atom_Count	21
97337	Isotope_Atom_Count	0
20774103	Undefined_Bond_Stereo_Count	0
49692	Undefined_Atom_Stereo_Count	0
12573	XLogP3-AA	3.1
15180	Non-hydrogen_Atom_Count	17
5365909	Molecular_Weight	114.14
114781	Hydrogen_Bond_Acceptor_Count	2
9340	Undefined_Atom_Stereo_Count	1
22481042	Undefined_Bond_Stereo_Count	0
49517	Non-hydrogen_Atom_Count	41
11538455	TPSA	95.3
55288198	Non-hydrogen_Atom_Count	8
11989572	Defined_Atom_Stereo_Count	0
18506422	Rotatable_Bond_Count	2
16950	Total_Formal_Charge	0
292103	Structure_Complexity	56
14142596	Isotope_Atom_Count	0
6490	XLogP3-AA	3.1
3492020	Molecular_Weight	218.32
1550846	Mono_Isotopic_Weight	129.057849228
69351	Non-hydrogen_Atom_Count	13
129679806	Non-hydrogen_Atom_Count	8
40466924	Hydrogen_Bond_Donor_Count	1
62277	Hydrogen_Bond_Acceptor_Count	7
123603692	Non-hydrogen_Atom_Count	8
481696	Isotope_Atom_Count	0
524213	Molecular_Weight	106.16
6114	Non-hydrogen_Atom_Count	12
13027931	Non-hydrogen_Atom_Count	8
8926	Tautomer_Count	1
53825954	TPSA	101
30550	Undefined_Atom_Stereo_Count	4
9743	Exact_Mass	112.032442941
79043	TPSA	0
96807	Hydrogen_Bond_Donor_Count	1
14532111	Non-hydrogen_Atom_Count	7
118360945	Defined_Atom_Stereo_Count	0
9964079	TPSA	64.2
95309	Total_Formal_Charge	0
46944253	Hydrogen_Bond_Donor_Count	1
408714	Hydrogen_Bond_Acceptor_Count	1
9842616	Undefined_Atom_Stereo_Count	2
22174896	Hydrogen_Bond_Acceptor_Count	2
11886769	Hydrogen_Bond_Donor_Count	8
54344827	Defined_Bond_Stereo_Count	0
735319	Rotatable_Bond_Count	1
79919	Total_Formal_Charge	0
5283134	Molecular_Weight	625.8
3034319	Rotatable_Bond_Count	1
895	Molecular_Weight	244.33
6857536	Undefined_Atom_Stereo_Count	1
14090	Defined_Atom_Stereo_Count	0
10438	Rotatable_Bond_Count	2
6102731	Rotatable_Bond_Count	10
14463	Hydrogen_Bond_Acceptor_Count	6
184366	Hydrogen_Bond_Acceptor_Count	2
3591	Undefined_Bond_Stereo_Count	3
4478	Hydrogen_Bond_Donor_Count	7
12298	Defined_Bond_Stereo_Count	0
11415	Molecular_Weight	282.90
16050641	TPSA	77.2
14142596	Defined_Bond_Stereo_Count	0
72155	Hydrogen_Bond_Donor_Count	0
53373584	Hydrogen_Bond_Acceptor_Count	10
22887897	Exact_Mass	423.23693578
12029691	Undefined_Bond_Stereo_Count	0
53320169	Undefined_Atom_Stereo_Count	0
6416	Total_Formal_Charge	0
10589377	Mono_Isotopic_Weight	287.18120410
140793266	Rotatable_Bond_Count	1
69588	Defined_Atom_Stereo_Count	0
520721	Isotope_Atom_Count	0
37631	Mono_Isotopic_Weight	179.094628657
25008940	Defined_Atom_Stereo_Count	2
16329	Mono_Isotopic_Weight	231.98876
57400481	Structure_Complexity	824
6924	Undefined_Bond_Stereo_Count	0
71587637	Mono_Isotopic_Weight	425.06122
29029	Hydrogen_Bond_Donor_Count	4
53894233	Hydrogen_Bond_Donor_Count	0
66587032	Rotatable_Bond_Count	4
311438	Undefined_Bond_Stereo_Count	0
68074148	Structure_Complexity	94.7
11657	TPSA	0
11256587	Tautomer_Count	42
4092	Undefined_Atom_Stereo_Count	1
21517	Defined_Atom_Stereo_Count	0
24820357	Undefined_Bond_Stereo_Count	0
696858	Undefined_Bond_Stereo_Count	1
21547708	Defined_Bond_Stereo_Count	0
62332	Exact_Mass	242.094294304
21162824	Hydrogen_Bond_Acceptor_Count	2
25202562	Hydrogen_Bond_Donor_Count	0
20633892	Exact_Mass	112.088815002
1736	Hydrogen_Bond_Donor_Count	3
86278355	Rotatable_Bond_Count	31
63198	Non-hydrogen_Atom_Count	19
107526	TPSA	118
74470	Undefined_Atom_Stereo_Count	0
6437648	Hydrogen_Bond_Acceptor_Count	2
9855448	Molecular_Weight	85.10
5352435	Isotope_Atom_Count	0
10390369	Covalent_Unit_Count	1
23216963	Structure_Complexity	90.4
1268252	Undefined_Bond_Stereo_Count	0
95809	TPSA	0
126521	TPSA	167
53667577	Defined_Atom_Stereo_Count	0
20852	Defined_Bond_Stereo_Count	0
165676	Molecular_Weight	944.1
20472522	Undefined_Atom_Stereo_Count	2
757435	Exact_Mass	343.1339066
114880	Exact_Mass	510.30401228
12407016	Rotatable_Bond_Count	0
3388301	Molecular_Weight	220.03
9578	Structure_Complexity	150
135414248	Hydrogen_Bond_Acceptor_Count	5
3045414	Tautomer_Count	3
6597	Undefined_Atom_Stereo_Count	0
10072851	Hydrogen_Bond_Donor_Count	2
24268	TPSA	62.9
44338763	Undefined_Bond_Stereo_Count	0
71584163	Rotatable_Bond_Count	5
17787271	Defined_Bond_Stereo_Count	0
455799	Covalent_Unit_Count	2
73799602	Non-hydrogen_Atom_Count	7
12865500	Non-hydrogen_Atom_Count	8
11229455	XLogP3-AA	0.9
68570	Non-hydrogen_Atom_Count	20
146110	Mono_Isotopic_Weight	442.18117893
66824709	Covalent_Unit_Count	1
175967	Structure_Complexity	627
9286	Non-hydrogen_Atom_Count	15
13639661	Molecular_Weight	116.11
123304439	Rotatable_Bond_Count	1
18758985	Molecular_Weight	99.09
56834577	TPSA	102
117807974	Defined_Atom_Stereo_Count	0
2782896	Undefined_Bond_Stereo_Count	0
29084	Mono_Isotopic_Weight	220.08479225
1245	TPSA	87
66876120	Hydrogen_Bond_Acceptor_Count	2
599202	Hydrogen_Bond_Donor_Count	0
6256685	Covalent_Unit_Count	1
12892785	Isotope_Atom_Count	0
3086428	Hydrogen_Bond_Donor_Count	8
446113	Total_Formal_Charge	0
85693614	Molecular_Weight	117.15
12255141	Rotatable_Bond_Count	0
117190135	Mono_Isotopic_Weight	114.042927438
24916843	Non-hydrogen_Atom_Count	47
71457269	Hydrogen_Bond_Donor_Count	2
363357	Mono_Isotopic_Weight	326.235813585
66576989	Covalent_Unit_Count	1
6114	Molecular_Weight	195.69
50295	Hydrogen_Bond_Acceptor_Count	8
398745	Defined_Bond_Stereo_Count	0
10161305	Hydrogen_Bond_Donor_Count	2
32226	Undefined_Atom_Stereo_Count	0
102293	Isotope_Atom_Count	0
13201	Tautomer_Count	1
6568	Hydrogen_Bond_Donor_Count	1
11113597	TPSA	166
66357	Undefined_Atom_Stereo_Count	0
23427989	Mono_Isotopic_Weight	1075.72835490
81867	Isotope_Atom_Count	0
77763	Defined_Bond_Stereo_Count	0
44792	Mono_Isotopic_Weight	173.177964357
70452	Total_Formal_Charge	0
23317073	Rotatable_Bond_Count	1
10685477	Isotope_Atom_Count	0
53940530	Hydrogen_Bond_Acceptor_Count	2
367985	XLogP3-AA	2.9
65663	Covalent_Unit_Count	1
6437071	Covalent_Unit_Count	1
41774	Total_Formal_Charge	0
16050931	Non-hydrogen_Atom_Count	20
38101	Structure_Complexity	261
97597	Structure_Complexity	585
200424	Tautomer_Count	1
5478986	Defined_Bond_Stereo_Count	0
446816	Defined_Atom_Stereo_Count	0
295763	Covalent_Unit_Count	1
9571109	TPSA	107
130429734	Covalent_Unit_Count	1
57395973	Undefined_Bond_Stereo_Count	0
59117176	Non-hydrogen_Atom_Count	8
8427	Non-hydrogen_Atom_Count	14
138275	Structure_Complexity	138
5266	Isotope_Atom_Count	0
3387354	Molecular_Weight	393.4
91618104	Total_Formal_Charge	0
121586	Molecular_Weight	290.11
143337	Molecular_Weight	284.48
117439	Exact_Mass	281.12632271
85505	Exact_Mass	184.9879707
11768891	Tautomer_Count	1
16133838	Hydrogen_Bond_Acceptor_Count	54
14022497	Isotope_Atom_Count	0
5769	TPSA	45.6
10402	Undefined_Bond_Stereo_Count	0
14842863	TPSA	149
641294	Exact_Mass	162.068079557
11967214	Defined_Atom_Stereo_Count	0
11327	Rotatable_Bond_Count	0
11040682	Non-hydrogen_Atom_Count	8
17526	Rotatable_Bond_Count	8
41632	Non-hydrogen_Atom_Count	20
55710	Hydrogen_Bond_Acceptor_Count	3
537387	Hydrogen_Bond_Donor_Count	0
90408860	Undefined_Atom_Stereo_Count	0
11716	Mono_Isotopic_Weight	72.057514874
15570483	Hydrogen_Bond_Acceptor_Count	0
15920952	Defined_Atom_Stereo_Count	0
77756	Structure_Complexity	179
92258	Undefined_Bond_Stereo_Count	0
10094429	Defined_Bond_Stereo_Count	0
34154	Non-hydrogen_Atom_Count	17
22168583	Total_Formal_Charge	0
4458	Hydrogen_Bond_Donor_Count	1
6850789	Molecular_Weight	501.98
2734248	Total_Formal_Charge	0
65332	Isotope_Atom_Count	0
71469	Hydrogen_Bond_Donor_Count	14
12681848	Non-hydrogen_Atom_Count	21
52949543	Undefined_Atom_Stereo_Count	0
153852218	Hydrogen_Bond_Acceptor_Count	2
3452	Total_Formal_Charge	0
20392754	Mono_Isotopic_Weight	97.052763847
168971	XLogP3-AA	1.1
699570	Hydrogen_Bond_Acceptor_Count	4
439298	Defined_Atom_Stereo_Count	12
22263119	Rotatable_Bond_Count	1
12211639	Structure_Complexity	56.7
20699949	Non-hydrogen_Atom_Count	8
3018598	Hydrogen_Bond_Acceptor_Count	6
71302984	Non-hydrogen_Atom_Count	8
2551	Structure_Complexity	117
26130	TPSA	62.8
3104	Undefined_Atom_Stereo_Count	4
6881	Non-hydrogen_Atom_Count	19
6363	Total_Formal_Charge	0
6436158	Exact_Mass	813.45107043
53865481	Defined_Bond_Stereo_Count	0
247573	Rotatable_Bond_Count	2
24853	Covalent_Unit_Count	4
449284	Non-hydrogen_Atom_Count	29
155893809	Non-hydrogen_Atom_Count	8
154183660	Defined_Atom_Stereo_Count	0
6872	Mono_Isotopic_Weight	213.078978594
103984	Rotatable_Bond_Count	6
11535547	Mono_Isotopic_Weight	98.036779430
89240655	Hydrogen_Bond_Acceptor_Count	2
6461	Defined_Bond_Stereo_Count	0
656909	Exact_Mass	308.16574516
7076	Defined_Bond_Stereo_Count	0
71583378	XLogP3-AA	3.4
9549284	Hydrogen_Bond_Donor_Count	2
519449	Tautomer_Count	1
2781177	Defined_Atom_Stereo_Count	0
71884	Exact_Mass	710.30978362
13695806	Non-hydrogen_Atom_Count	8
12638	TPSA	29.3
23866	Defined_Bond_Stereo_Count	0
11412	Total_Formal_Charge	0
51086	Covalent_Unit_Count	1
77405	Hydrogen_Bond_Donor_Count	2
2734163	Covalent_Unit_Count	2
610169	TPSA	26
67060	Hydrogen_Bond_Acceptor_Count	5
1437819	TPSA	37.4
30185	Defined_Bond_Stereo_Count	0
23667636	Isotope_Atom_Count	1
131704328	Defined_Atom_Stereo_Count	0
53917786	Molecular_Weight	113.08
3032600	Defined_Bond_Stereo_Count	0
30107	Isotope_Atom_Count	0
6134	Isotope_Atom_Count	0
54848	Undefined_Bond_Stereo_Count	0
62766	Covalent_Unit_Count	2
10449	Rotatable_Bond_Count	2
5230	Rotatable_Bond_Count	3
51030901	Rotatable_Bond_Count	5
18764599	XLogP3-AA	0.2
457035	Defined_Atom_Stereo_Count	0
54585640	Hydrogen_Bond_Donor_Count	1
38350	Total_Formal_Charge	0
9548819	Non-hydrogen_Atom_Count	6
53643991	Hydrogen_Bond_Donor_Count	2
57228285	Mono_Isotopic_Weight	114.00654193
52660	Total_Formal_Charge	0
70715	Hydrogen_Bond_Donor_Count	1
222786	Exact_Mass	360.19367399
10364560	XLogP3-AA	2
85922476	Structure_Complexity	99.6
4970	Rotatable_Bond_Count	0
22832145	Non-hydrogen_Atom_Count	64
633091	Total_Formal_Charge	0
535824	Rotatable_Bond_Count	0
162461	Covalent_Unit_Count	1
5781	Undefined_Bond_Stereo_Count	0
130285	TPSA	42
85248	Rotatable_Bond_Count	2
10154203	Defined_Bond_Stereo_Count	0
82740	TPSA	317
54684461	Defined_Atom_Stereo_Count	6
6918091	Defined_Bond_Stereo_Count	0
116119794	Covalent_Unit_Count	1
155290	Covalent_Unit_Count	2
695341	XLogP3	1.3
134767951	Exact_Mass	303.14705815
16130957	Total_Formal_Charge	0
423792	Defined_Atom_Stereo_Count	0
58708317	Hydrogen_Bond_Acceptor_Count	8
821629	Non-hydrogen_Atom_Count	17
13603	Covalent_Unit_Count	1
25295	Molecular_Weight	289.80
137530132	Hydrogen_Bond_Acceptor_Count	5
86882	Covalent_Unit_Count	1
796414	Hydrogen_Bond_Acceptor_Count	3
15842092	Isotope_Atom_Count	0
4156	Hydrogen_Bond_Acceptor_Count	3
57750312	Covalent_Unit_Count	1
12428066	Hydrogen_Bond_Acceptor_Count	2
23349	XLogP3-AA	0.3
25091037	Rotatable_Bond_Count	37
11043	Molecular_Weight	351.12
5460094	Exact_Mass	527.23263824
11817188	Exact_Mass	234.198365449
5934	Exact_Mass	239.142247555
7508	Mono_Isotopic_Weight	110.073164938
123224323	Non-hydrogen_Atom_Count	7
11228773	Rotatable_Bond_Count	0
2792	TPSA	77.5
134399	Exact_Mass	129.115364102
5288769	Hydrogen_Bond_Acceptor_Count	11
6392641	Mono_Isotopic_Weight	824.368622
50045	XLogP3-AA	2.4
66708587	Covalent_Unit_Count	1
53702849	Mono_Isotopic_Weight	101.047678466
21930923	Total_Formal_Charge	0
125027416	Rotatable_Bond_Count	3
14647552	Exact_Mass	133.146664230
197581	Undefined_Bond_Stereo_Count	0
67030919	Undefined_Atom_Stereo_Count	0
95542	Total_Formal_Charge	0
57390868	Total_Formal_Charge	0
135415564	Hydrogen_Bond_Donor_Count	5
54089	Hydrogen_Bond_Acceptor_Count	3
146050491	Structure_Complexity	2830
413518	Exact_Mass	212.0716407
13855	Defined_Bond_Stereo_Count	0
143399	XLogP3-AA	3
5707	Total_Formal_Charge	0
101008927	Non-hydrogen_Atom_Count	20
34991	XLogP3-AA	1.9
57401682	Hydrogen_Bond_Donor_Count	2
18868	Hydrogen_Bond_Donor_Count	1
131632429	Undefined_Atom_Stereo_Count	2
135565082	Isotope_Atom_Count	0
3017597	Tautomer_Count	2
7177	Rotatable_Bond_Count	8
23666830	Isotope_Atom_Count	0
56626310	Exact_Mass	226.110613074
80542	Undefined_Bond_Stereo_Count	0
819	Defined_Atom_Stereo_Count	0
68546	Defined_Atom_Stereo_Count	0
84878	Defined_Bond_Stereo_Count	0
76209	Molecular_Weight	102.13
10269	Mono_Isotopic_Weight	236.177630004
19935251	Rotatable_Bond_Count	0
53364498	Molecular_Weight	519.6
6098	Undefined_Bond_Stereo_Count	0
88332	Undefined_Bond_Stereo_Count	0
93171	Tautomer_Count	1
2724588	Undefined_Bond_Stereo_Count	0
11281300	Undefined_Bond_Stereo_Count	0
2413	Defined_Atom_Stereo_Count	0
172198	Molecular_Weight	1046.2
62108	Molecular_Weight	458.7
20129	XLogP3-AA	1.6
699	Defined_Atom_Stereo_Count	0
11723971	Undefined_Atom_Stereo_Count	0
5352846	Defined_Atom_Stereo_Count	0
3032910	TPSA	63.6
12508	Molecular_Weight	116.16
219301	Undefined_Atom_Stereo_Count	0
12408	Structure_Complexity	218
11440685	Covalent_Unit_Count	1
83904774	XLogP3-AA	0.2
994360	Total_Formal_Charge	0
66673773	Molecular_Weight	114.08
88771736	Undefined_Atom_Stereo_Count	0
72679314	TPSA	94.9
70682213	Isotope_Atom_Count	0
16080117	Covalent_Unit_Count	1
84363	Undefined_Atom_Stereo_Count	0
5281167	Total_Formal_Charge	0
688570	Structure_Complexity	284
313637	Exact_Mass	269.13889351
165701938	Defined_Bond_Stereo_Count	0
40467346	Total_Formal_Charge	1
21843641	Undefined_Bond_Stereo_Count	0
140625088	Mono_Isotopic_Weight	284.16237386
82400	Structure_Complexity	414
6328163	Exact_Mass	500.0545926
3036261	Hydrogen_Bond_Donor_Count	4
60196291	Undefined_Atom_Stereo_Count	0
11715	Molecular_Weight	136.98
86821	Structure_Complexity	634
10727124	Undefined_Bond_Stereo_Count	0
11174789	Covalent_Unit_Count	1
39230	Molecular_Weight	342.1
65595	Isotope_Atom_Count	0
23603	Molecular_Weight	237.30
5326956	Molecular_Weight	537.5
556172	Defined_Bond_Stereo_Count	0
8661	Hydrogen_Bond_Donor_Count	2
9104	Non-hydrogen_Atom_Count	32
90047364	TPSA	62.7
19380118	Defined_Atom_Stereo_Count	0
53318409	Total_Formal_Charge	0
3268	Non-hydrogen_Atom_Count	33
9879302	Defined_Bond_Stereo_Count	0
4667	Undefined_Bond_Stereo_Count	1
87063833	Rotatable_Bond_Count	0
97171	Hydrogen_Bond_Acceptor_Count	3
85979	Defined_Bond_Stereo_Count	0
5388880	Non-hydrogen_Atom_Count	1
71555	Exact_Mass	217.0869564
98207156	Defined_Bond_Stereo_Count	0
67749	XLogP3-AA	1.6
107647	Isotope_Atom_Count	0
140342802	Hydrogen_Bond_Acceptor_Count	2
157706	Structure_Complexity	137
22704	Covalent_Unit_Count	1
2135	XLogP3-AA	1.5
14027329	Non-hydrogen_Atom_Count	8
61100	TPSA	121
57031203	Defined_Atom_Stereo_Count	0
12465674	Undefined_Atom_Stereo_Count	2
5497	Tautomer_Count	1
174782	Structure_Complexity	841
4141522	Structure_Complexity	149
948323	Defined_Bond_Stereo_Count	0
56962215	Hydrogen_Bond_Donor_Count	1
445071	Total_Formal_Charge	0
12720	TPSA	0
57265913	TPSA	17.1
153939	XLogP3-AA	1.4
16772299	Hydrogen_Bond_Acceptor_Count	1
5289247	Exact_Mass	257.02589765
4285	Molecular_Weight	327.5
5364509	Non-hydrogen_Atom_Count	21
36906	Total_Formal_Charge	0
87870897	Non-hydrogen_Atom_Count	8
18156	Exact_Mass	268.04840674
5213	Covalent_Unit_Count	1
77922	TPSA	52.3
154170332	Undefined_Bond_Stereo_Count	0
15816	Exact_Mass	216.13615911
22731	Hydrogen_Bond_Donor_Count	0
159594	Non-hydrogen_Atom_Count	37
15599	Isotope_Atom_Count	0
84081255	Isotope_Atom_Count	0
20326	Defined_Atom_Stereo_Count	0
274074	Non-hydrogen_Atom_Count	28
9984	Isotope_Atom_Count	0
3033867	Tautomer_Count	1
45278337	Exact_Mass	421.28983728
45711	Defined_Atom_Stereo_Count	0
14841958	Defined_Bond_Stereo_Count	0
85540	Structure_Complexity	499
2578	Rotatable_Bond_Count	4
11364421	Exact_Mass	521.31143813
19823	Non-hydrogen_Atom_Count	33
76735	TPSA	139
176163	Undefined_Atom_Stereo_Count	1
132941102	Rotatable_Bond_Count	67
657014	Rotatable_Bond_Count	0
20531373	TPSA	16.4
146681183	Hydrogen_Bond_Acceptor_Count	5
94910	Undefined_Atom_Stereo_Count	0
51971	Mono_Isotopic_Weight	284.131348519
42552711	Exact_Mass	342.11621151
11921	Rotatable_Bond_Count	1
129669570	TPSA	125
3038495	Exact_Mass	417.24162724
25002426	Molecular_Weight	433.4
129864651	Total_Formal_Charge	0
20633892	Non-hydrogen_Atom_Count	8
516872	Molecular_Weight	97.18
450484	Molecular_Weight	393.21
17814354	Undefined_Bond_Stereo_Count	0
44629653	Isotope_Atom_Count	0
55278707	Covalent_Unit_Count	1
22091090	Undefined_Bond_Stereo_Count	0
59058905	Hydrogen_Bond_Acceptor_Count	4
24877326	Isotope_Atom_Count	0
13113546	Molecular_Weight	99.13
10482134	Undefined_Atom_Stereo_Count	0
11017	Hydrogen_Bond_Acceptor_Count	7
87106789	Covalent_Unit_Count	2
2783176	XLogP3-AA	1.4
54675854	Exact_Mass	151.039519081
157356129	Molecular_Weight	108.18
87642220	Hydrogen_Bond_Acceptor_Count	11
107915	Tautomer_Count	1
537396	Undefined_Atom_Stereo_Count	1
171375	Mono_Isotopic_Weight	196.06129390
11714580	Undefined_Bond_Stereo_Count	0
33498	Undefined_Bond_Stereo_Count	0
69684	Mono_Isotopic_Weight	142.110613074
25142176	Hydrogen_Bond_Acceptor_Count	6
69624	TPSA	0
38031	Hydrogen_Bond_Donor_Count	0
13651872	Rotatable_Bond_Count	1
9930049	Defined_Bond_Stereo_Count	0
60047	TPSA	127
7154	Rotatable_Bond_Count	3
71742706	Molecular_Weight	114.14
31877	Undefined_Bond_Stereo_Count	1
4453511	Rotatable_Bond_Count	3
5362417	Total_Formal_Charge	0
67171867	Hydrogen_Bond_Donor_Count	3
49652	Total_Formal_Charge	0
1794427	Defined_Atom_Stereo_Count	4
11408688	Defined_Bond_Stereo_Count	0
1331	Total_Formal_Charge	0
1807	Mono_Isotopic_Weight	210.94802
323180	Mono_Isotopic_Weight	110.059246208
11657	Total_Formal_Charge	0
688267	Defined_Atom_Stereo_Count	2
62930	Covalent_Unit_Count	1
87114	TPSA	42.1
640308	Defined_Atom_Stereo_Count	0
9230	Exact_Mass	117.057849228
446080	Undefined_Bond_Stereo_Count	0
53384918	Isotope_Atom_Count	0
57399614	Molecular_Weight	543.6
135418174	Rotatable_Bond_Count	2
9529	Exact_Mass	260.04584451
14770	TPSA	0
3803614	Defined_Atom_Stereo_Count	0
12787245	Non-hydrogen_Atom_Count	7
143035	Isotope_Atom_Count	0
21303152	Covalent_Unit_Count	1
23675737	Tautomer_Count	4
3359	Exact_Mass	666.36822473
4442	XLogP3-AA	2.2
5487426	Rotatable_Bond_Count	5
17700	Defined_Atom_Stereo_Count	0
449107	Mono_Isotopic_Weight	531.30970680
15450	Covalent_Unit_Count	1
139593411	Undefined_Bond_Stereo_Count	0
24884197	Rotatable_Bond_Count	1
493342	Non-hydrogen_Atom_Count	23
16796	Covalent_Unit_Count	1
2529	Mono_Isotopic_Weight	476.1682861
68414798	Defined_Bond_Stereo_Count	0
68424	Mono_Isotopic_Weight	87.068413911
13522	Defined_Bond_Stereo_Count	0
11675994	Defined_Bond_Stereo_Count	0
2762892	Non-hydrogen_Atom_Count	8
50925404	XLogP3-AA	3.7
72200721	Undefined_Bond_Stereo_Count	0
135391180	Structure_Complexity	1700
129831062	Undefined_Bond_Stereo_Count	2
83669972	XLogP3-AA	0.2
53361524	Hydrogen_Bond_Donor_Count	2
101399329	Molecular_Weight	112.13
1163242	XLogP3-AA	4.5
24309	Hydrogen_Bond_Donor_Count	1
10197646	Defined_Bond_Stereo_Count	0
55560	Mono_Isotopic_Weight	554.33558719
10888022	Tautomer_Count	1
84731066	Covalent_Unit_Count	1
690730	Structure_Complexity	210
93154	Undefined_Atom_Stereo_Count	1
23566493	Total_Formal_Charge	0
945090	Defined_Atom_Stereo_Count	0
440068	XLogP3-AA	5.6
5318998	Hydrogen_Bond_Donor_Count	2
58028426	Defined_Bond_Stereo_Count	0
14833	Total_Formal_Charge	0
7122	Non-hydrogen_Atom_Count	13
5744	Molecular_Weight	404.5
69833	Hydrogen_Bond_Acceptor_Count	1
443967	Molecular_Weight	434.5
50962	Exact_Mass	318.161979940
3855171	Mono_Isotopic_Weight	246.96609661
79322731	Non-hydrogen_Atom_Count	8
9874875	XLogP3-AA	8.1
78099560	Exact_Mass	462.1686514
11589453	Rotatable_Bond_Count	5
10866664	Molecular_Weight	164.16
14511	Defined_Bond_Stereo_Count	0
108157	Hydrogen_Bond_Donor_Count	1
12136363	Covalent_Unit_Count	1
1878	Exact_Mass	370.17802393
974	Tautomer_Count	2
213039	Hydrogen_Bond_Donor_Count	3
60105598	Hydrogen_Bond_Donor_Count	5
5227	Defined_Bond_Stereo_Count	0
6424	Defined_Bond_Stereo_Count	0
5826113	Exact_Mass	370.21574685
16048558	TPSA	35.5
134129703	Undefined_Atom_Stereo_Count	1
23662512	Covalent_Unit_Count	2
1548954	XLogP3-AA	7.2
153097190	XLogP3-AA	1.2
65677	Covalent_Unit_Count	1
129627254	Non-hydrogen_Atom_Count	45
9473	Undefined_Bond_Stereo_Count	0
22353151	Rotatable_Bond_Count	6
389	Isotope_Atom_Count	0
5521	Non-hydrogen_Atom_Count	10
53465918	Molecular_Weight	410.5
2775311	Rotatable_Bond_Count	0
10954241	Hydrogen_Bond_Acceptor_Count	6
6918546	Defined_Atom_Stereo_Count	0
72700	Isotope_Atom_Count	0
23056	Non-hydrogen_Atom_Count	25
27119	Undefined_Atom_Stereo_Count	0
138375814	Isotope_Atom_Count	0
123673485	Molecular_Weight	109.17
56202	Isotope_Atom_Count	0
87474167	Structure_Complexity	79.8
85821087	Hydrogen_Bond_Acceptor_Count	0
163263	Undefined_Bond_Stereo_Count	0
124524088	Hydrogen_Bond_Acceptor_Count	16
86295112	Molecular_Weight	340.4
34408	Hydrogen_Bond_Donor_Count	0
13526	Exact_Mass	230.02002368
101254308	Molecular_Weight	182.15
17807203	Total_Formal_Charge	0
14221107	Exact_Mass	98.073164938
5921	TPSA	32.7
57856017	Exact_Mass	111.068413911
54583932	Hydrogen_Bond_Acceptor_Count	4
12302681	Covalent_Unit_Count	1
2804374	Molecular_Weight	231.68
89053264	TPSA	26
51174	Defined_Bond_Stereo_Count	0
323	Molecular_Weight	146.14
38350	Hydrogen_Bond_Donor_Count	0
70789202	Undefined_Bond_Stereo_Count	0
158294441	Exact_Mass	116.047344113
5351387	Exact_Mass	396.09740462
444539	XLogP3	2.1
16073660	Hydrogen_Bond_Donor_Count	0
86018330	TPSA	0
2009	Hydrogen_Bond_Acceptor_Count	4
46936772	Non-hydrogen_Atom_Count	42
75691	Hydrogen_Bond_Donor_Count	0
5702044	Non-hydrogen_Atom_Count	40
527511	Hydrogen_Bond_Acceptor_Count	0
135506152	Molecular_Weight	112.09
65093	Undefined_Atom_Stereo_Count	0
22836365	Covalent_Unit_Count	1
13172504	XLogP3-AA	1.6
544356	Molecular_Weight	274.4
2684	Covalent_Unit_Count	1
9789	Mono_Isotopic_Weight	121.01393355
53395363	Defined_Bond_Stereo_Count	0
129833854	Hydrogen_Bond_Acceptor_Count	7
169005	Undefined_Bond_Stereo_Count	0
15529	Hydrogen_Bond_Acceptor_Count	3
135408658	Rotatable_Bond_Count	3
131664136	Defined_Atom_Stereo_Count	0
75530316	Rotatable_Bond_Count	5
940066	Isotope_Atom_Count	0
158431	Undefined_Atom_Stereo_Count	0
447378	Molecular_Weight	443.4
19540	Rotatable_Bond_Count	4
14163	Hydrogen_Bond_Donor_Count	0
123070	Exact_Mass	20.0564071114
5367460	Hydrogen_Bond_Acceptor_Count	2
12303048	Molecular_Weight	897.8
46304	Defined_Bond_Stereo_Count	0
1079	Rotatable_Bond_Count	7
8005	Exact_Mass	92.0392780
124486	Undefined_Bond_Stereo_Count	0
52940827	Hydrogen_Bond_Acceptor_Count	5
4413	Structure_Complexity	552
101815863	Hydrogen_Bond_Donor_Count	2
9979	Defined_Atom_Stereo_Count	0
38127	Structure_Complexity	545
137348324	Total_Formal_Charge	0
13329881	Structure_Complexity	58.7
23543714	Mono_Isotopic_Weight	112.027277375
69840958	Non-hydrogen_Atom_Count	7
73707447	Rotatable_Bond_Count	12
3034808	TPSA	119
20336998	Mono_Isotopic_Weight	101.120449483
98488	Undefined_Bond_Stereo_Count	0
12310	Defined_Bond_Stereo_Count	0
44195571	Mono_Isotopic_Weight	521.22498894
5352428	Non-hydrogen_Atom_Count	14
15208263	Structure_Complexity	155
17954	Structure_Complexity	294
9548720	Structure_Complexity	641
5288588	Mono_Isotopic_Weight	298.1236763
165360129	Mono_Isotopic_Weight	1248.62378324
522549	Undefined_Atom_Stereo_Count	2
18965	Undefined_Bond_Stereo_Count	0
6602480	Non-hydrogen_Atom_Count	40
449343	Isotope_Atom_Count	0
15493441	Rotatable_Bond_Count	2
15793	Defined_Atom_Stereo_Count	0
70967	Non-hydrogen_Atom_Count	11
946372	Non-hydrogen_Atom_Count	26
20231751	Exact_Mass	160.9560951
60287	Defined_Bond_Stereo_Count	0
6951123	Exact_Mass	145.110278721
5486971	Defined_Bond_Stereo_Count	0
11534	Rotatable_Bond_Count	0
15643399	Molecular_Weight	98.19
84614	Exact_Mass	269.10519334
21343371	Mono_Isotopic_Weight	84.057514874
18439449	Mono_Isotopic_Weight	115.063328530
91824751	Mono_Isotopic_Weight	832.52780463
50317	XLogP3-AA	3.6
3045400	Hydrogen_Bond_Acceptor_Count	5
90488724	Mono_Isotopic_Weight	1671.90967533
6604756	Defined_Atom_Stereo_Count	2
68700720	Undefined_Atom_Stereo_Count	0
75357255	Rotatable_Bond_Count	1
98954	Mono_Isotopic_Weight	156.115029749
521701	Covalent_Unit_Count	5
45488113	Defined_Bond_Stereo_Count	0
19927	XLogP3-AA	1
28561	Mono_Isotopic_Weight	177.03606841
133119158	Undefined_Atom_Stereo_Count	0
4594	Tautomer_Count	2
87964902	Isotope_Atom_Count	0
5283741	Structure_Complexity	688
25052023	Defined_Bond_Stereo_Count	0
24848261	Defined_Bond_Stereo_Count	0
11115	Exact_Mass	236.152477885
56149	Mono_Isotopic_Weight	431.87194
39727	Tautomer_Count	1
87833	Covalent_Unit_Count	1
67444	XLogP3	7
83390	Exact_Mass	111.104799419
53822679	Structure_Complexity	76.1
72257	Defined_Bond_Stereo_Count	0
12931639	Defined_Bond_Stereo_Count	0
3084049	Structure_Complexity	1300
566069	XLogP3-AA	2.2
54316980	Total_Formal_Charge	0
10820493	Undefined_Atom_Stereo_Count	0
70692775	Total_Formal_Charge	0
5340	Defined_Atom_Stereo_Count	0
92155	Isotope_Atom_Count	0
6619879	Covalent_Unit_Count	1
53484290	Defined_Bond_Stereo_Count	0
59217416	TPSA	38.9
11970447	Hydrogen_Bond_Acceptor_Count	5
21594228	Hydrogen_Bond_Acceptor_Count	7
54289557	Isotope_Atom_Count	0
50023	TPSA	62.8
129627802	Isotope_Atom_Count	0
142123799	Exact_Mass	102.079312947
105426927	Total_Formal_Charge	0
56668820	Undefined_Atom_Stereo_Count	1
11399764	Covalent_Unit_Count	1
152119	Covalent_Unit_Count	1
160940	Tautomer_Count	6
21809327	Non-hydrogen_Atom_Count	8
11963557	Total_Formal_Charge	0
19111	Defined_Bond_Stereo_Count	0
10424358	Covalent_Unit_Count	1
5315659	Non-hydrogen_Atom_Count	23
46884664	Defined_Bond_Stereo_Count	0
13413802	Molecular_Weight	113.16
67556876	Defined_Bond_Stereo_Count	1
107950	Hydrogen_Bond_Donor_Count	0
222572	Isotope_Atom_Count	0
9871	Undefined_Atom_Stereo_Count	0
5288193	Covalent_Unit_Count	1
3047822	XLogP3-AA	0.5
91942	XLogP3-AA	1.6
3001860	Covalent_Unit_Count	1
130918	Defined_Atom_Stereo_Count	0
1470715	XLogP3-AA	1.9
2733525	Isotope_Atom_Count	0
11543746	TPSA	57.8
93032	Molecular_Weight	175.18
12576587	Undefined_Bond_Stereo_Count	0
2724372	XLogP3	2.7
87163	Exact_Mass	124.074896272
65844	Undefined_Atom_Stereo_Count	1
13635047	XLogP3-AA	0.2
11954389	Structure_Complexity	899
54758501	Structure_Complexity	712
91012209	Hydrogen_Bond_Donor_Count	1
5032	Rotatable_Bond_Count	3
45116623	Defined_Atom_Stereo_Count	0
18002315	Non-hydrogen_Atom_Count	8
3033053	Tautomer_Count	3
248333	Structure_Complexity	158
274234	Isotope_Atom_Count	0
12082259	Total_Formal_Charge	0
44119936	Isotope_Atom_Count	0
90658468	Non-hydrogen_Atom_Count	24
10250	Structure_Complexity	230
23688976	Exact_Mass	229.07485883
23724526	Mono_Isotopic_Weight	383.10961
114781	Undefined_Atom_Stereo_Count	0
9820034	Undefined_Atom_Stereo_Count	0
129888394	Defined_Atom_Stereo_Count	0
4978	Total_Formal_Charge	0
22047	Undefined_Bond_Stereo_Count	0
307877	Defined_Atom_Stereo_Count	0
668081	Molecular_Weight	328.4
439518	Tautomer_Count	8
12486215	Molecular_Weight	191.23
78553	Mono_Isotopic_Weight	215.96083
70111	Hydrogen_Bond_Acceptor_Count	2
91322204	XLogP3-AA	1.2
90725416	Structure_Complexity	1830
65093	XLogP3-AA	2.6
11933	Defined_Atom_Stereo_Count	0
28506	Rotatable_Bond_Count	2
23712863	Undefined_Bond_Stereo_Count	0
5314123	Mono_Isotopic_Weight	96.057514874
9953732	Non-hydrogen_Atom_Count	30
139589209	Defined_Bond_Stereo_Count	5
12206947	Rotatable_Bond_Count	0
100094	Covalent_Unit_Count	1
19997	Isotope_Atom_Count	0
135398595	Hydrogen_Bond_Acceptor_Count	12
91663303	Rotatable_Bond_Count	9
3084049	Hydrogen_Bond_Donor_Count	14
8788	Structure_Complexity	219
76735	Structure_Complexity	296
11815284	Defined_Atom_Stereo_Count	0
10360656	Defined_Atom_Stereo_Count	0
65620	TPSA	33.1
442993	Rotatable_Bond_Count	5
62098	Defined_Atom_Stereo_Count	0
90472762	Isotope_Atom_Count	2
22612	Undefined_Bond_Stereo_Count	0
2883813	Exact_Mass	299.11575802
3375	Isotope_Atom_Count	0
71352	Isotope_Atom_Count	0
21956312	Isotope_Atom_Count	0
11704625	Molecular_Weight	428.5
124014051	Mono_Isotopic_Weight	113.084063974
90393	Exact_Mass	283.157228913
20087178	Undefined_Bond_Stereo_Count	0
21894213	TPSA	38.8
53906657	Hydrogen_Bond_Acceptor_Count	2
5319022	Covalent_Unit_Count	1
823960	Covalent_Unit_Count	1
25590	Hydrogen_Bond_Donor_Count	3
57396887	Hydrogen_Bond_Donor_Count	3
518733	Hydrogen_Bond_Donor_Count	1
25273227	XLogP3-AA	2.7
59146659	Hydrogen_Bond_Donor_Count	5
9585	Structure_Complexity	143
58528	Exact_Mass	256.121177757
135972	Undefined_Bond_Stereo_Count	0
3022	Defined_Bond_Stereo_Count	0
68075820	Undefined_Atom_Stereo_Count	3
85942939	Molecular_Weight	105.14
826870	TPSA	20.3
121945	Defined_Bond_Stereo_Count	0
33613	Rotatable_Bond_Count	4
14809953	Hydrogen_Bond_Acceptor_Count	1
12993402	Rotatable_Bond_Count	0
154655788	Mono_Isotopic_Weight	112.088815002
92839	Exact_Mass	152.083729621
3084101	Rotatable_Bond_Count	0
398743	Defined_Bond_Stereo_Count	0
57448808	Hydrogen_Bond_Acceptor_Count	2
11146968	Hydrogen_Bond_Acceptor_Count	7
11804710	Covalent_Unit_Count	1
123494194	Covalent_Unit_Count	1
3608	Undefined_Atom_Stereo_Count	1
95524	Undefined_Atom_Stereo_Count	1
9305	Undefined_Bond_Stereo_Count	0
9864687	Total_Formal_Charge	0
60165655	Structure_Complexity	308
34230	Molecular_Weight	725.0
12731218	Defined_Bond_Stereo_Count	0
158627	Undefined_Atom_Stereo_Count	0
21054637	Non-hydrogen_Atom_Count	7
11660	Molecular_Weight	112.98
124918412	Covalent_Unit_Count	1
59810317	Non-hydrogen_Atom_Count	7
14885960	Tautomer_Count	3
156326	Structure_Complexity	363
398517	Exact_Mass	410.14126175
598	TPSA	63.8
72149	Mono_Isotopic_Weight	382.18925731
4339838	Exact_Mass	633.42798706
7617	Structure_Complexity	92.1
12096	Covalent_Unit_Count	1
72200721	Undefined_Atom_Stereo_Count	0
101089158	Exact_Mass	116.083729621
21703153	Covalent_Unit_Count	1
1498	XLogP3-AA	3.7
87438806	Exact_Mass	104.094963011
46907787	Total_Formal_Charge	0
137942834	Molecular_Weight	101.15
244030	Isotope_Atom_Count	0
19846	Hydrogen_Bond_Donor_Count	1
54738	Undefined_Bond_Stereo_Count	0
18140	Undefined_Bond_Stereo_Count	0
12561969	Defined_Atom_Stereo_Count	0
13611091	Rotatable_Bond_Count	0
11815296	TPSA	18.5
11296670	Total_Formal_Charge	0
141681	Molecular_Weight	128.05
16687131	Defined_Atom_Stereo_Count	0
20080634	Structure_Complexity	88.5
61832	Isotope_Atom_Count	0
259360	Total_Formal_Charge	0
7170	Rotatable_Bond_Count	5
5475	Undefined_Atom_Stereo_Count	0
18530	Non-hydrogen_Atom_Count	7
62774675	Molecular_Weight	116.16
91878	Defined_Bond_Stereo_Count	0
97383	Defined_Bond_Stereo_Count	0
13573631	Rotatable_Bond_Count	3
71080	Non-hydrogen_Atom_Count	6
11972	Defined_Atom_Stereo_Count	0
10654193	Undefined_Atom_Stereo_Count	0
663	Structure_Complexity	130
54236240	Undefined_Bond_Stereo_Count	0
11182591	Hydrogen_Bond_Acceptor_Count	2
46926362	Exact_Mass	335.12454663
2995	TPSA	15.3
943	Tautomer_Count	1
6374	Defined_Bond_Stereo_Count	0
12699161	Hydrogen_Bond_Acceptor_Count	1
69089	Covalent_Unit_Count	1
13772685	Undefined_Bond_Stereo_Count	0
10384666	Rotatable_Bond_Count	8
13245709	Hydrogen_Bond_Acceptor_Count	1
139089144	Undefined_Bond_Stereo_Count	0
31243	Undefined_Bond_Stereo_Count	0
27582	Rotatable_Bond_Count	0
84647715	Defined_Bond_Stereo_Count	0
29131	Undefined_Bond_Stereo_Count	0
162839	Non-hydrogen_Atom_Count	15
887	Defined_Bond_Stereo_Count	0
44324941	Undefined_Bond_Stereo_Count	0
89055	Isotope_Atom_Count	0
57642398	Undefined_Atom_Stereo_Count	0
9008	Rotatable_Bond_Count	8
77982	Defined_Bond_Stereo_Count	0
47445	Hydrogen_Bond_Donor_Count	2
16081932	Covalent_Unit_Count	1
6950578	Undefined_Bond_Stereo_Count	0
436542	Rotatable_Bond_Count	1
76373	Non-hydrogen_Atom_Count	8
56623654	Exact_Mass	112.063662883
118459248	Covalent_Unit_Count	1
64505	XLogP3-AA	1.8
519946	TPSA	9.2
7180	XLogP3	3.6
13996773	TPSA	29.6
354785	Total_Formal_Charge	0
37175	Defined_Atom_Stereo_Count	0
12599701	Hydrogen_Bond_Donor_Count	1
13285535	Mono_Isotopic_Weight	226.074227566
21081761	XLogP3-AA	4.1
13086	Covalent_Unit_Count	1
134	Hydrogen_Bond_Donor_Count	1
93011	TPSA	37.4
20639618	Exact_Mass	20.047748626
3126	Hydrogen_Bond_Donor_Count	3
4219136	Defined_Bond_Stereo_Count	0
147919783	Covalent_Unit_Count	1
159832	Structure_Complexity	0
148429079	Hydrogen_Bond_Donor_Count	0
67361	Structure_Complexity	175
7507	Non-hydrogen_Atom_Count	8
140071	Total_Formal_Charge	0
91435	Undefined_Bond_Stereo_Count	0
3026856	Undefined_Atom_Stereo_Count	0
22450077	Rotatable_Bond_Count	3
4989	Structure_Complexity	248
18711468	Mono_Isotopic_Weight	96.093900383
7048767	Mono_Isotopic_Weight	324.183778013
11294	Rotatable_Bond_Count	3
21584147	Mono_Isotopic_Weight	100.063662883
93702	Hydrogen_Bond_Acceptor_Count	16
2734233	Defined_Atom_Stereo_Count	0
14026391	Covalent_Unit_Count	1
20644245	Structure_Complexity	77.4
145712264	Non-hydrogen_Atom_Count	59
53316376	Hydrogen_Bond_Acceptor_Count	10
12544003	Covalent_Unit_Count	1
6386647	Tautomer_Count	3
11138	XLogP3-AA	0.5
16213640	Non-hydrogen_Atom_Count	12
27522	Molecular_Weight	576.3
55285439	Rotatable_Bond_Count	0
19962939	TPSA	24.4
147336409	Hydrogen_Bond_Acceptor_Count	0
5238	Structure_Complexity	2
90941377	Molecular_Weight	425.4
58806244	Structure_Complexity	76.2
34794	Defined_Atom_Stereo_Count	1
91276	Total_Formal_Charge	0
442372	Undefined_Bond_Stereo_Count	0
7957	Hydrogen_Bond_Acceptor_Count	1
73240	Defined_Bond_Stereo_Count	0
324081	Exact_Mass	221.095297364
44719499	Rotatable_Bond_Count	4
69229	Mono_Isotopic_Weight	182.06914219
54705095	Defined_Atom_Stereo_Count	6
529341	Isotope_Atom_Count	0
22858512	Defined_Bond_Stereo_Count	0
10784	Hydrogen_Bond_Acceptor_Count	1
5704083	Isotope_Atom_Count	0
9606	Hydrogen_Bond_Donor_Count	0
19065601	Molecular_Weight	248.17
15702065	Exact_Mass	114.068079557
2933256	Exact_Mass	303.1389920
17745	Undefined_Atom_Stereo_Count	1
9690120	Covalent_Unit_Count	2
97868	Defined_Bond_Stereo_Count	0
123659755	Undefined_Bond_Stereo_Count	0
551493	Total_Formal_Charge	0
11677589	Covalent_Unit_Count	1
192988	Defined_Bond_Stereo_Count	0
70662752	Molecular_Weight	112.17
4520	XLogP3-AA	0.1
11001426	Undefined_Bond_Stereo_Count	0
108043	Undefined_Bond_Stereo_Count	0
123805	Exact_Mass	898.46610084
15004706	Isotope_Atom_Count	0
565962	Covalent_Unit_Count	1
694117	Total_Formal_Charge	0
66545	TPSA	115
23545554	Isotope_Atom_Count	0
12302681	Undefined_Atom_Stereo_Count	1
4178	Covalent_Unit_Count	1
47326	Mono_Isotopic_Weight	349.16779360
8907	Exact_Mass	298.287180451
23160050	Hydrogen_Bond_Donor_Count	0
21786	Defined_Atom_Stereo_Count	0
87704774	Non-hydrogen_Atom_Count	14
60602	Structure_Complexity	1100
8422	XLogP3	2.5
133108869	TPSA	75.6
90420227	Non-hydrogen_Atom_Count	8
91364344	Defined_Atom_Stereo_Count	0
74141	Hydrogen_Bond_Acceptor_Count	3
3417	Defined_Bond_Stereo_Count	0
131704	Hydrogen_Bond_Acceptor_Count	8
162246	Structure_Complexity	585
12290023	Exact_Mass	116.083729621
69582	Non-hydrogen_Atom_Count	10
21962760	Undefined_Atom_Stereo_Count	0
117968974	Undefined_Bond_Stereo_Count	0
3064674	Non-hydrogen_Atom_Count	26
91170688	TPSA	60.7
8020	Defined_Bond_Stereo_Count	0
21493122	Covalent_Unit_Count	1
57501504	Non-hydrogen_Atom_Count	47
55939	Undefined_Bond_Stereo_Count	0
7274	Tautomer_Count	1
5299	Rotatable_Bond_Count	6
42890	Structure_Complexity	912
154461366	Non-hydrogen_Atom_Count	8
8407	XLogP3	3.7
91472	Hydrogen_Bond_Acceptor_Count	1
6918606	Isotope_Atom_Count	0
85065	Undefined_Bond_Stereo_Count	0
90488948	Covalent_Unit_Count	1
54375073	Hydrogen_Bond_Acceptor_Count	1
139906410	Defined_Atom_Stereo_Count	0
2723716	Defined_Bond_Stereo_Count	0
13730	Isotope_Atom_Count	0
13674270	Defined_Atom_Stereo_Count	0
581866	Molecular_Weight	128.56
81836	Undefined_Atom_Stereo_Count	0
60196385	Defined_Atom_Stereo_Count	0
101943115	Hydrogen_Bond_Donor_Count	0
123920	Hydrogen_Bond_Donor_Count	1
3263	Defined_Atom_Stereo_Count	0
161500	Covalent_Unit_Count	1
66666	Mono_Isotopic_Weight	130.078250319
58492	Isotope_Atom_Count	0
10256440	Non-hydrogen_Atom_Count	38
24978553	Non-hydrogen_Atom_Count	57
129627812	Defined_Bond_Stereo_Count	0
143888994	Isotope_Atom_Count	0
7720	Structure_Complexity	52.5
402869	Defined_Atom_Stereo_Count	0
3134071	XLogP3-AA	2.4
62786	Molecular_Weight	231.72
6328144	Undefined_Bond_Stereo_Count	0
21879319	TPSA	55.4
5367460	Undefined_Bond_Stereo_Count	0
12603004	Undefined_Atom_Stereo_Count	0
13611188	XLogP3-AA	2
21614701	Undefined_Atom_Stereo_Count	0
192155	Defined_Bond_Stereo_Count	0
6412	Undefined_Atom_Stereo_Count	0
90769054	XLogP3-AA	0.3
6427770	Undefined_Bond_Stereo_Count	0
6950274	Defined_Bond_Stereo_Count	0
3037886	XLogP3	1.8
10090005	Isotope_Atom_Count	0
51047	Isotope_Atom_Count	0
736104	Structure_Complexity	248
2781329	Non-hydrogen_Atom_Count	8
7259	Structure_Complexity	90.6
98614	Structure_Complexity	292
78802	Defined_Bond_Stereo_Count	0
14815775	Structure_Complexity	133
5899	Mono_Isotopic_Weight	180.01466183
123628273	Total_Formal_Charge	0
13756235	Exact_Mass	83.073499291
13968540	Hydrogen_Bond_Donor_Count	0
13772685	Defined_Atom_Stereo_Count	0
51671	Mono_Isotopic_Weight	413.18854629
10334852	Non-hydrogen_Atom_Count	20
252499	XLogP3-AA	2.5
10964334	Structure_Complexity	2320
65370	Total_Formal_Charge	0
72199784	Structure_Complexity	626
88305	Covalent_Unit_Count	1
33376	Defined_Atom_Stereo_Count	0
6015	Hydrogen_Bond_Donor_Count	0
70693142	Defined_Atom_Stereo_Count	0
69245	Rotatable_Bond_Count	0
13432	Covalent_Unit_Count	1
73828	TPSA	78.1
65955	Mono_Isotopic_Weight	140.058577502
144686955	Structure_Complexity	382
19474	Rotatable_Bond_Count	0
16211409	Hydrogen_Bond_Donor_Count	0
23681045	Tautomer_Count	1
88707373	Exact_Mass	105.078978594
6257	Molecular_Weight	223.22
70250408	Tautomer_Count	2
6420010	Hydrogen_Bond_Acceptor_Count	8
14072448	Total_Formal_Charge	0
839562	Molecular_Weight	316.4
53699711	Molecular_Weight	114.10
517063	Structure_Complexity	122
145820	Undefined_Atom_Stereo_Count	0
3746	Hydrogen_Bond_Acceptor_Count	3
24818	Structure_Complexity	37.1
6749	Total_Formal_Charge	0
4424	Undefined_Bond_Stereo_Count	2
63141	Molecular_Weight	516.11
220820	Hydrogen_Bond_Donor_Count	0
41575	Defined_Atom_Stereo_Count	0
67451737	Defined_Atom_Stereo_Count	0
3126	XLogP3-AA	5.8
91753565	Covalent_Unit_Count	1
1353	Hydrogen_Bond_Donor_Count	2
870718	Exact_Mass	250.09535693
667476	Isotope_Atom_Count	0
11572	Molecular_Weight	96.17
179344	Defined_Bond_Stereo_Count	0
932	Exact_Mass	272.06847348
54045	Undefined_Atom_Stereo_Count	0
2733984	Structure_Complexity	82.6
3793	Non-hydrogen_Atom_Count	49
14282994	Hydrogen_Bond_Donor_Count	1
51066536	Structure_Complexity	675
11983193	Undefined_Bond_Stereo_Count	0
5827	Defined_Atom_Stereo_Count	0
10930781	Mono_Isotopic_Weight	790.22615588
10946	Undefined_Atom_Stereo_Count	0
232446	Mono_Isotopic_Weight	268.146329876
19010362	Covalent_Unit_Count	1
20695916	Structure_Complexity	70.8
443382	Defined_Atom_Stereo_Count	2
64964	Non-hydrogen_Atom_Count	14
10331863	Mono_Isotopic_Weight	240.10627659
5543	Mono_Isotopic_Weight	303.001818
1249	Defined_Atom_Stereo_Count	0
54388248	Mono_Isotopic_Weight	112.088815002
141082	Total_Formal_Charge	0
45085104	Covalent_Unit_Count	1
33463	Structure_Complexity	761
9935	XLogP3	1.8
44395044	Molecular_Weight	499.6
75068	Non-hydrogen_Atom_Count	7
140	Structure_Complexity	624
20198022	Undefined_Bond_Stereo_Count	0
57521916	Total_Formal_Charge	0
135445761	Hydrogen_Bond_Donor_Count	1
72627	Hydrogen_Bond_Donor_Count	2
17980418	Hydrogen_Bond_Acceptor_Count	4
117891679	Undefined_Atom_Stereo_Count	0
49862577	Molecular_Weight	426.5
58265153	Molecular_Weight	180.16
18712663	Tautomer_Count	1
8816	Mono_Isotopic_Weight	383.21876
69676	Rotatable_Bond_Count	1
110839	Isotope_Atom_Count	0
9793992	TPSA	104
69851796	Defined_Bond_Stereo_Count	0
87870867	Covalent_Unit_Count	1
53678703	Molecular_Weight	112.13
522003	Hydrogen_Bond_Acceptor_Count	2
12978170	Hydrogen_Bond_Acceptor_Count	0
206876	Hydrogen_Bond_Donor_Count	1
34055	Defined_Atom_Stereo_Count	0
64061	Covalent_Unit_Count	3
102515443	Covalent_Unit_Count	1
121763185	Undefined_Atom_Stereo_Count	3
10271	Isotope_Atom_Count	0
90813484	Hydrogen_Bond_Acceptor_Count	2
10475633	Non-hydrogen_Atom_Count	28
19100324	Undefined_Bond_Stereo_Count	0
135398513	Undefined_Bond_Stereo_Count	0
536111	Hydrogen_Bond_Donor_Count	0
87863	Non-hydrogen_Atom_Count	23
529389	Non-hydrogen_Atom_Count	8
101684738	Structure_Complexity	133
45484184	Defined_Atom_Stereo_Count	0
23665591	Exact_Mass	237.00395384
140473289	Molecular_Weight	1202.6
69049742	Undefined_Atom_Stereo_Count	2
1549062	Undefined_Atom_Stereo_Count	0
140996483	Defined_Bond_Stereo_Count	0
87251056	Structure_Complexity	174
5362118	Defined_Bond_Stereo_Count	0
88970	Rotatable_Bond_Count	9
10855383	Undefined_Atom_Stereo_Count	0
41463	XLogP3-AA	6.6
584	Isotope_Atom_Count	0
7209	Hydrogen_Bond_Donor_Count	0
20206342	Mono_Isotopic_Weight	83.037113783
158770620	Exact_Mass	114.104465066
15129466	Defined_Bond_Stereo_Count	0
11561779	Rotatable_Bond_Count	9
141691	Undefined_Bond_Stereo_Count	0
14852454	Total_Formal_Charge	0
10857507	Exact_Mass	238.06886740
656628	Defined_Atom_Stereo_Count	1
545127	Hydrogen_Bond_Donor_Count	0
71777654	Defined_Atom_Stereo_Count	4
151404	Isotope_Atom_Count	0
9796068	XLogP3-AA	1.3
93286	Defined_Bond_Stereo_Count	0
141169621	Rotatable_Bond_Count	0
85787089	XLogP3-AA	0.7
133612499	Exact_Mass	1033.54575866
70680969	TPSA	66.1
5358907	Structure_Complexity	391
57782	Non-hydrogen_Atom_Count	20
5460324	XLogP3-AA	2.4
91224654	Exact_Mass	108.093900383
71160	Defined_Bond_Stereo_Count	0
37545	Structure_Complexity	31.2
16091096	Non-hydrogen_Atom_Count	46
11519741	Undefined_Atom_Stereo_Count	0
12734620	Exact_Mass	126.104465066
123462301	Structure_Complexity	53.5
2734225	Molecular_Weight	258.83
3865	Undefined_Bond_Stereo_Count	0
160440	Tautomer_Count	1
8445	Defined_Atom_Stereo_Count	0
118253852	Isotope_Atom_Count	0
75252	Defined_Atom_Stereo_Count	0
36246	Isotope_Atom_Count	0
5464344	Undefined_Atom_Stereo_Count	0
66840	Mono_Isotopic_Weight	242.95311
10820486	Molecular_Weight	110.11
16219049	Structure_Complexity	869
12313523	Exact_Mass	222.173213330
446986	Structure_Complexity	1440
589116	Hydrogen_Bond_Acceptor_Count	3
2734956	Mono_Isotopic_Weight	159.0450916
4162	TPSA	46.2
27123	Exact_Mass	444.25118886
134283942	TPSA	20.3
13601742	Non-hydrogen_Atom_Count	8
557816	XLogP3-AA	0.5
4431056	Non-hydrogen_Atom_Count	8
65490	XLogP3	3.7
21441185	Defined_Atom_Stereo_Count	0
4584	Defined_Atom_Stereo_Count	0
10132189	TPSA	61
326240	Structure_Complexity	1080
97012111	Mono_Isotopic_Weight	342.11621151
136051299	TPSA	149
131535	TPSA	192
61220	Non-hydrogen_Atom_Count	11
2736145	Undefined_Bond_Stereo_Count	0
70190	Defined_Bond_Stereo_Count	0
401234	Total_Formal_Charge	0
136808	Mono_Isotopic_Weight	182.109550447
101863	Covalent_Unit_Count	1
85773920	Exact_Mass	100.052429494
347	Mono_Isotopic_Weight	286.10525291
135398570	Defined_Bond_Stereo_Count	0
72187569	Non-hydrogen_Atom_Count	23
135398570	Structure_Complexity	616
29656	Hydrogen_Bond_Acceptor_Count	1
198707	Tautomer_Count	2
51341966	Exact_Mass	265.972503
25078013	Mono_Isotopic_Weight	1671.90967533
2725002	Defined_Bond_Stereo_Count	0
12778904	Mono_Isotopic_Weight	84.068748264
58373	Mono_Isotopic_Weight	265.110278721
44443938	Mono_Isotopic_Weight	510.16609434
13433600	Hydrogen_Bond_Acceptor_Count	3
17730	Undefined_Bond_Stereo_Count	0
97109339	Exact_Mass	106.041864811
6399027	TPSA	58.9
13072114	Hydrogen_Bond_Acceptor_Count	9
65079	Non-hydrogen_Atom_Count	45
91339524	Molecular_Weight	96.13
146345448	Defined_Bond_Stereo_Count	0
122670	Molecular_Weight	159.19
19816653	Isotope_Atom_Count	0
78431	Isotope_Atom_Count	0
137727	Defined_Atom_Stereo_Count	0
14833	Covalent_Unit_Count	5
13220194	Structure_Complexity	238
9609	Non-hydrogen_Atom_Count	5
60627	Structure_Complexity	539
2742181	Defined_Atom_Stereo_Count	0
67543	Hydrogen_Bond_Acceptor_Count	16
323	Non-hydrogen_Atom_Count	11
3651	Non-hydrogen_Atom_Count	11
13590	Defined_Bond_Stereo_Count	0
131721310	Undefined_Atom_Stereo_Count	0
72121	Defined_Atom_Stereo_Count	0
13231	Hydrogen_Bond_Donor_Count	1
6433288	Undefined_Atom_Stereo_Count	0
518760	Tautomer_Count	1
15644502	Defined_Atom_Stereo_Count	0
7190	Defined_Atom_Stereo_Count	0
81056	XLogP3	2
15940170	Rotatable_Bond_Count	7
70103	Total_Formal_Charge	0
167266	Defined_Bond_Stereo_Count	0
139807	Hydrogen_Bond_Donor_Count	0
54392998	TPSA	38.3
20607916	Defined_Atom_Stereo_Count	0
95456	Hydrogen_Bond_Acceptor_Count	2
41466	Defined_Atom_Stereo_Count	0
52943718	XLogP3-AA	3.6
724045	Hydrogen_Bond_Acceptor_Count	4
16065257	Mono_Isotopic_Weight	428.15584919
92943	Isotope_Atom_Count	0
243274	Isotope_Atom_Count	0
47721	Defined_Bond_Stereo_Count	0
68888	XLogP3-AA	0.8
85859899	Mono_Isotopic_Weight	96.021129366
44324941	Undefined_Atom_Stereo_Count	0
135409453	TPSA	87.8
409301	Tautomer_Count	1
13791	XLogP3	6
984821	Total_Formal_Charge	0
101675604	Tautomer_Count	4
57114132	Isotope_Atom_Count	0
24763119	Rotatable_Bond_Count	5
611945	Total_Formal_Charge	0
3343	Mono_Isotopic_Weight	303.14705815
68678	Rotatable_Bond_Count	3
14647552	Molecular_Weight	133.23
78747	Defined_Atom_Stereo_Count	0
70060	Molecular_Weight	320.16
38286	Exact_Mass	327.1237359
135968625	XLogP3-AA	6.7
94381	Defined_Bond_Stereo_Count	0
7579	TPSA	61.3
86488	Non-hydrogen_Atom_Count	17
258383	Exact_Mass	95.073499291
9952446	Rotatable_Bond_Count	7
16682930	Hydrogen_Bond_Donor_Count	0
4658	XLogP3-AA	4.5
10686	Exact_Mass	120.093900383
417753	Exact_Mass	495.1275944
129861481	Hydrogen_Bond_Acceptor_Count	2
447661	Covalent_Unit_Count	1
20055283	Rotatable_Bond_Count	17
5462210	Isotope_Atom_Count	0
6055792	Undefined_Bond_Stereo_Count	0
192630	Total_Formal_Charge	0
119438	Covalent_Unit_Count	1
2734181	Isotope_Atom_Count	0
17754007	Mono_Isotopic_Weight	200.04962974
5109	Defined_Bond_Stereo_Count	0
9589	Rotatable_Bond_Count	1
97255	Undefined_Atom_Stereo_Count	0
20827794	Covalent_Unit_Count	1
7150	Hydrogen_Bond_Acceptor_Count	2
82052	Undefined_Bond_Stereo_Count	0
137274216	TPSA	257
1896971	Exact_Mass	114.042927438
19962876	Mono_Isotopic_Weight	83.037113783
642110	XLogP3	1.2
85920	Defined_Bond_Stereo_Count	0
79608	Covalent_Unit_Count	1
65584	Non-hydrogen_Atom_Count	12
13204	Structure_Complexity	98.7
11499271	Exact_Mass	162.0559907
65940	Total_Formal_Charge	0
4627807	Mono_Isotopic_Weight	115.099714038
3792	TPSA	60
14373	Rotatable_Bond_Count	5
21917397	TPSA	3.9
88948	Covalent_Unit_Count	1
6918788	Hydrogen_Bond_Acceptor_Count	16
28030	Non-hydrogen_Atom_Count	8
15072	Molecular_Weight	125.17
67058	Covalent_Unit_Count	1
3028194	Defined_Bond_Stereo_Count	0
28565	Hydrogen_Bond_Donor_Count	2
11769	Structure_Complexity	273
21947035	Molecular_Weight	159.20
439520	XLogP3-AA	3.6
22591521	Hydrogen_Bond_Acceptor_Count	3
22675	Hydrogen_Bond_Acceptor_Count	2
301567	Covalent_Unit_Count	1
19082030	Covalent_Unit_Count	1
11469057	Covalent_Unit_Count	1
12607503	Molecular_Weight	96.13
12873460	TPSA	239
74319	Structure_Complexity	201
6918309	Isotope_Atom_Count	0
45116665	Exact_Mass	110.084398327
12580	Covalent_Unit_Count	1
158796	Hydrogen_Bond_Donor_Count	2
65624	Hydrogen_Bond_Donor_Count	0
941915	Rotatable_Bond_Count	1
5283078	Exact_Mass	354.24062418
11263492	TPSA	9.2
3476986	Molecular_Weight	292.3
72734319	Isotope_Atom_Count	0
6323336	Structure_Complexity	151
81627	Structure_Complexity	185
44329367	Total_Formal_Charge	0
23496510	Covalent_Unit_Count	1
11360614	Covalent_Unit_Count	1
12664700	Isotope_Atom_Count	0
54236240	Defined_Atom_Stereo_Count	0
2734664	Hydrogen_Bond_Acceptor_Count	1
477698	Defined_Atom_Stereo_Count	0
68112	Defined_Bond_Stereo_Count	0
86231890	TPSA	9.2
58091261	Structure_Complexity	86.1
6950337	Defined_Bond_Stereo_Count	0
70258	Defined_Bond_Stereo_Count	0
8292	Mono_Isotopic_Weight	308.03058836
12757	Hydrogen_Bond_Donor_Count	0
66509091	Undefined_Bond_Stereo_Count	0
83909	Total_Formal_Charge	0
24865625	Hydrogen_Bond_Donor_Count	3
92829	Rotatable_Bond_Count	5
105421	Structure_Complexity	207
23667634	Defined_Atom_Stereo_Count	4
135495951	Exact_Mass	88.027277375
61541	Non-hydrogen_Atom_Count	3
59823	Undefined_Atom_Stereo_Count	1
23668192	Rotatable_Bond_Count	1
14897272	Total_Formal_Charge	0
96373	Rotatable_Bond_Count	2
135446965	Defined_Bond_Stereo_Count	0
129801083	Molecular_Weight	82.10
60096125	TPSA	35.3
3752	Molecular_Weight	256.09
6376436	Rotatable_Bond_Count	11
87868	Undefined_Atom_Stereo_Count	0
21061878	Non-hydrogen_Atom_Count	8
54758035	Covalent_Unit_Count	1
22369295	Molecular_Weight	114.17
29647	Undefined_Bond_Stereo_Count	0
11993	TPSA	0
76428	TPSA	45.8
79123	Structure_Complexity	77.8
11338127	Mono_Isotopic_Weight	385.15387487
9653	TPSA	48.5
23674	Undefined_Atom_Stereo_Count	0
11434920	Hydrogen_Bond_Acceptor_Count	3
87829093	Undefined_Atom_Stereo_Count	0
23506294	Undefined_Atom_Stereo_Count	1
2734931	Molecular_Weight	156.06
10113978	Undefined_Atom_Stereo_Count	0
68423	Structure_Complexity	39.4
6327514	TPSA	35.5
12950121	Isotope_Atom_Count	0
72924	Hydrogen_Bond_Acceptor_Count	3
13781592	Defined_Atom_Stereo_Count	0
51041322	XLogP3	0.7
49867325	Undefined_Atom_Stereo_Count	0
67505	Molecular_Weight	136.18
132274234	TPSA	557
6227	Exact_Mass	137.93164
55397	Structure_Complexity	243
13083763	XLogP3-AA	1.4
22136196	Exact_Mass	114.00654193
6640	Exact_Mass	200.05071541
71311389	Exact_Mass	257.925853
8256	Hydrogen_Bond_Donor_Count	0
142834	Exact_Mass	94.078250319
6328144	Undefined_Atom_Stereo_Count	0
71450114	Undefined_Bond_Stereo_Count	0
23163355	Defined_Atom_Stereo_Count	0
22842006	Isotope_Atom_Count	0
27195	Rotatable_Bond_Count	2
10240789	Hydrogen_Bond_Acceptor_Count	1
80040	Covalent_Unit_Count	1
33039	Mono_Isotopic_Weight	244.08593506
30868	Total_Formal_Charge	2
2496	Tautomer_Count	2
87219146	Mono_Isotopic_Weight	115.063328530
14647	Undefined_Bond_Stereo_Count	0
56679001	Hydrogen_Bond_Acceptor_Count	6
10606708	Hydrogen_Bond_Acceptor_Count	3
16211948	Total_Formal_Charge	0
11744314	Mono_Isotopic_Weight	446.1608497
3467	Hydrogen_Bond_Acceptor_Count	12
6420130	Defined_Atom_Stereo_Count	2
60740	TPSA	37.3
31348	Defined_Bond_Stereo_Count	0
7648	Defined_Atom_Stereo_Count	0
11840927	Total_Formal_Charge	0
38988396	Hydrogen_Bond_Donor_Count	2
11254	Mono_Isotopic_Weight	86.036779430
14671256	Hydrogen_Bond_Acceptor_Count	1
14536538	Hydrogen_Bond_Acceptor_Count	4
71541096	Non-hydrogen_Atom_Count	18
7504	Isotope_Atom_Count	0
10066	Molecular_Weight	364.9
72929	Undefined_Atom_Stereo_Count	0
134694648	Rotatable_Bond_Count	9
62787	Rotatable_Bond_Count	4
44115	Exact_Mass	334.0884336
1918	Mono_Isotopic_Weight	814.18368448
21884945	XLogP3	0.1
593379	TPSA	92.8
10887879	Molecular_Weight	118.17
67643	Molecular_Weight	410.06
48491	Rotatable_Bond_Count	10
156412638	Molecular_Weight	110.12
8196	Covalent_Unit_Count	1
12743050	Defined_Atom_Stereo_Count	0
153648135	Undefined_Atom_Stereo_Count	1
7695	XLogP3	1.9
102959	Exact_Mass	182.05790880
54133029	Exact_Mass	113.047678466
10038849	Hydrogen_Bond_Acceptor_Count	2
134150175	Defined_Bond_Stereo_Count	0
523251	Non-hydrogen_Atom_Count	8
88705879	TPSA	46.2
409384	Rotatable_Bond_Count	2
32142	Exact_Mass	191.131014166
15702065	XLogP3-AA	0
23376967	Hydrogen_Bond_Donor_Count	4
11126210	Total_Formal_Charge	0
8255	Exact_Mass	56.062600255
718862	Non-hydrogen_Atom_Count	20
135456058	Isotope_Atom_Count	0
171296	Mono_Isotopic_Weight	291.1138399
3533588	Hydrogen_Bond_Donor_Count	2
19784166	Total_Formal_Charge	0
44279790	Undefined_Atom_Stereo_Count	1
73425158	Total_Formal_Charge	0
110785	Hydrogen_Bond_Donor_Count	0
133021	Exact_Mass	379.1339066
11672461	Structure_Complexity	1130
96701	Covalent_Unit_Count	1
13590	Molecular_Weight	98.15
117601215	Hydrogen_Bond_Acceptor_Count	4
163326	Covalent_Unit_Count	1
8001	Mono_Isotopic_Weight	199.88363
267769	Structure_Complexity	426
23675312	Total_Formal_Charge	0
2400	Exact_Mass	341.116426730
135484551	Hydrogen_Bond_Acceptor_Count	9
139244568	Structure_Complexity	546
53779803	Isotope_Atom_Count	0
4011971	Isotope_Atom_Count	0
449093	Undefined_Bond_Stereo_Count	0
16008685	XLogP3-AA	2.7
37459	Non-hydrogen_Atom_Count	27
60196435	Molecular_Weight	419.4
3795	TPSA	76.5
30437	Undefined_Bond_Stereo_Count	0
3444	Tautomer_Count	1
10113978	Defined_Atom_Stereo_Count	0
91290078	Hydrogen_Bond_Acceptor_Count	1
12438035	Structure_Complexity	79.3
51941	Rotatable_Bond_Count	2
13265779	Defined_Bond_Stereo_Count	0
24971342	Structure_Complexity	427
141082	Hydrogen_Bond_Donor_Count	0
104234	Molecular_Weight	299.4
15907	Hydrogen_Bond_Acceptor_Count	2
66335	Covalent_Unit_Count	1
69391	XLogP3-AA	0.4
45278337	Total_Formal_Charge	0
20547	Rotatable_Bond_Count	2
60654	Defined_Bond_Stereo_Count	0
6328144	Defined_Atom_Stereo_Count	0
520326	Rotatable_Bond_Count	6
17852315	Non-hydrogen_Atom_Count	8
9793707	Molecular_Weight	102.09
162172	Isotope_Atom_Count	0
12244237	Mono_Isotopic_Weight	77.97755048
15166013	Non-hydrogen_Atom_Count	8
6175	Total_Formal_Charge	0
59221	Undefined_Bond_Stereo_Count	0
9447938	XLogP3	3.3
123791702	Undefined_Bond_Stereo_Count	1
5280881	Exact_Mass	334.21440943
6917959	Defined_Bond_Stereo_Count	0
11829354	XLogP3-AA	1.2
5283213	XLogP3	2.8
11669	Tautomer_Count	1
37274	Defined_Atom_Stereo_Count	0
69963	Isotope_Atom_Count	0
10986146	Structure_Complexity	2
6344	Total_Formal_Charge	0
5364509	Hydrogen_Bond_Donor_Count	0
71307	Total_Formal_Charge	0
70615	Defined_Bond_Stereo_Count	0
4659568	Covalent_Unit_Count	1
6424	Hydrogen_Bond_Acceptor_Count	1
22157549	XLogP3-AA	6.7
68871	TPSA	12.5
4437318	Undefined_Atom_Stereo_Count	0
11317439	Undefined_Bond_Stereo_Count	0
57516046	Total_Formal_Charge	0
442072	Non-hydrogen_Atom_Count	20
5281969	Molecular_Weight	347.5
517106	Undefined_Atom_Stereo_Count	0
130515614	TPSA	20.2
88267	Undefined_Bond_Stereo_Count	0
3032771	Hydrogen_Bond_Donor_Count	3
11319053	Undefined_Bond_Stereo_Count	0
146256	Rotatable_Bond_Count	6
1899	Covalent_Unit_Count	1
3058751	Rotatable_Bond_Count	5
550825	Defined_Atom_Stereo_Count	0
2795	Hydrogen_Bond_Acceptor_Count	2
53384934	Rotatable_Bond_Count	3
5357479	Undefined_Atom_Stereo_Count	0
7098630	Undefined_Bond_Stereo_Count	0
2565	Defined_Atom_Stereo_Count	0
70695756	Defined_Atom_Stereo_Count	0
163883593	TPSA	67.8
35398	Hydrogen_Bond_Donor_Count	3
102198498	Structure_Complexity	1560
91864743	Mono_Isotopic_Weight	521.8583111
12524131	Undefined_Atom_Stereo_Count	0
54698174	Covalent_Unit_Count	3
71695437	Non-hydrogen_Atom_Count	6
66684386	Molecular_Weight	349.4
56828	Exact_Mass	363.1601214
130600	TPSA	13.6
68511084	Total_Formal_Charge	0
566455	Mono_Isotopic_Weight	189.078978594
82153	Undefined_Bond_Stereo_Count	0
613589	Tautomer_Count	1
82736	Undefined_Bond_Stereo_Count	0
123288617	Isotope_Atom_Count	0
522769	Isotope_Atom_Count	0
29675	Isotope_Atom_Count	0
81732	Undefined_Atom_Stereo_Count	0
14656	Tautomer_Count	2
5281065	Defined_Atom_Stereo_Count	0
91171	Structure_Complexity	52.5
6526	Defined_Atom_Stereo_Count	0
12932	Non-hydrogen_Atom_Count	23
10197660	Undefined_Atom_Stereo_Count	2
11051613	Exact_Mass	114.068079557
43146	Exact_Mass	251.131014166
3061720	Total_Formal_Charge	0
445049	Structure_Complexity	459
16211214	Defined_Bond_Stereo_Count	0
3050432	Hydrogen_Bond_Acceptor_Count	2
164675904	TPSA	37.4
80790	Non-hydrogen_Atom_Count	12
57399651	Total_Formal_Charge	0
138756126	Defined_Atom_Stereo_Count	2
2764838	Hydrogen_Bond_Donor_Count	0
90394	Hydrogen_Bond_Donor_Count	3
4201	Covalent_Unit_Count	1
71583271	XLogP3-AA	3.5
102148036	Hydrogen_Bond_Donor_Count	2
63255	Rotatable_Bond_Count	3
65940	Hydrogen_Bond_Acceptor_Count	7
14020433	Undefined_Atom_Stereo_Count	2
70403	Exact_Mass	316.0648413
5231	Non-hydrogen_Atom_Count	14
156617908	TPSA	190
118797621	Mono_Isotopic_Weight	181.06674293
137530132	Covalent_Unit_Count	1
19665	Defined_Bond_Stereo_Count	0
34327	Undefined_Atom_Stereo_Count	0
78973	Total_Formal_Charge	0
6918546	Hydrogen_Bond_Acceptor_Count	12
15174915	Exact_Mass	360.16852187
2870	Total_Formal_Charge	0
693502	Isotope_Atom_Count	0
680502	Non-hydrogen_Atom_Count	25
73292	Covalent_Unit_Count	2
129009911	Undefined_Atom_Stereo_Count	0
71709	Defined_Atom_Stereo_Count	0
32593	Mono_Isotopic_Weight	371.16968530
23130211	Isotope_Atom_Count	0
520277	Covalent_Unit_Count	1
11634725	Tautomer_Count	44
70693582	Mono_Isotopic_Weight	447.21336163
1664	Undefined_Atom_Stereo_Count	1
6641	Exact_Mass	270.161979940
17104	Covalent_Unit_Count	1
20477345	Molecular_Weight	192.18
63656079	Undefined_Bond_Stereo_Count	0
131731052	Isotope_Atom_Count	0
123348667	Covalent_Unit_Count	1
66602237	Isotope_Atom_Count	0
139942026	Hydrogen_Bond_Acceptor_Count	1
11170934	Hydrogen_Bond_Donor_Count	0
73265408	Undefined_Bond_Stereo_Count	5
140850	TPSA	60.7
5054	Exact_Mass	110.036779430
1139	Exact_Mass	322.05660244
54360	TPSA	35.9
78225435	Defined_Atom_Stereo_Count	3
85979	Hydrogen_Bond_Acceptor_Count	1
12847948	Structure_Complexity	83.7
19782023	Exact_Mass	86.084398327
19160	Non-hydrogen_Atom_Count	7
14862984	XLogP3-AA	0.3
7987	TPSA	71.1
57394598	Undefined_Atom_Stereo_Count	0
5109	Rotatable_Bond_Count	5
13272656	Total_Formal_Charge	0
21430317	TPSA	0
12510929	Non-hydrogen_Atom_Count	8
134694738	Structure_Complexity	514
89976681	Defined_Bond_Stereo_Count	0
12656387	Defined_Bond_Stereo_Count	0
62485	Undefined_Atom_Stereo_Count	0
28503	XLogP3	3.9
18004304	Mono_Isotopic_Weight	105.078978594
456222	Undefined_Bond_Stereo_Count	0
9547261	Rotatable_Bond_Count	5
107751	Undefined_Bond_Stereo_Count	0
12059918	TPSA	0
232592	Hydrogen_Bond_Acceptor_Count	3
3793939	Molecular_Weight	202.00
24972774	Molecular_Weight	111.14
2622	Tautomer_Count	14
146776289	Isotope_Atom_Count	0
59022304	Isotope_Atom_Count	0
92246	Isotope_Atom_Count	0
22380788	Covalent_Unit_Count	1
34319	Defined_Atom_Stereo_Count	0
11549	Total_Formal_Charge	0
59814883	Hydrogen_Bond_Acceptor_Count	1
3663247	Defined_Bond_Stereo_Count	0
104806	Mono_Isotopic_Weight	61.987817862
8017	Non-hydrogen_Atom_Count	5
11969465	Molecular_Weight	400.5
13694931	Covalent_Unit_Count	1
4727	Covalent_Unit_Count	1
11502243	Structure_Complexity	552
4196	Defined_Bond_Stereo_Count	0
6433547	Covalent_Unit_Count	1
13756	Total_Formal_Charge	0
2019	Undefined_Bond_Stereo_Count	0
228	Non-hydrogen_Atom_Count	27
79964	Covalent_Unit_Count	1
21331354	Undefined_Atom_Stereo_Count	1
363	Undefined_Bond_Stereo_Count	0
21831691	Undefined_Bond_Stereo_Count	0
59169	Defined_Bond_Stereo_Count	0
6291	XLogP3	4
9811493	Hydrogen_Bond_Donor_Count	5
10920483	TPSA	43.4
40549	Undefined_Atom_Stereo_Count	0
60942	Defined_Bond_Stereo_Count	0
109325	Non-hydrogen_Atom_Count	13
71679077	Molecular_Weight	425.7
107879	Hydrogen_Bond_Acceptor_Count	8
6210	Undefined_Bond_Stereo_Count	0
105970	Structure_Complexity	393
142891	XLogP3	3.3
5743	Hydrogen_Bond_Acceptor_Count	6
53249535	Non-hydrogen_Atom_Count	26
6078	Defined_Bond_Stereo_Count	0
152445	Rotatable_Bond_Count	1
61185	Undefined_Atom_Stereo_Count	0
6973628	TPSA	17.1
69808	Molecular_Weight	114.26
12989	XLogP3-AA	0.6
5281701	XLogP3	1
10287749	XLogP3-AA	3.6
631468	Non-hydrogen_Atom_Count	16
55291103	Hydrogen_Bond_Acceptor_Count	3
80009	Isotope_Atom_Count	0
12194	Molecular_Weight	116.16
10275777	Rotatable_Bond_Count	7
93036	Exact_Mass	385.95146
5484735	Tautomer_Count	14
131535	Defined_Atom_Stereo_Count	3
21887872	Covalent_Unit_Count	2
24825253	Undefined_Bond_Stereo_Count	0
117265544	Defined_Atom_Stereo_Count	0
11980076	Non-hydrogen_Atom_Count	89
5325710	Undefined_Bond_Stereo_Count	0
53627718	Exact_Mass	109.089149355
13249050	Defined_Atom_Stereo_Count	0
44346	Defined_Atom_Stereo_Count	0
19979685	Molecular_Weight	112.13
71663	Mono_Isotopic_Weight	474.1562462
86287525	Exact_Mass	353.0679523
140568	Covalent_Unit_Count	1
11502	Undefined_Bond_Stereo_Count	1
13373005	Hydrogen_Bond_Acceptor_Count	11
653817	Total_Formal_Charge	0
127030	Covalent_Unit_Count	1
155032	Rotatable_Bond_Count	8
10899282	Defined_Atom_Stereo_Count	4
63055	XLogP3	2.3
54331	Covalent_Unit_Count	2
5400866	Isotope_Atom_Count	0
55253420	Exact_Mass	99.104799419
519559	Tautomer_Count	2
1718	Defined_Atom_Stereo_Count	0
70281073	Total_Formal_Charge	0
5284543	Defined_Atom_Stereo_Count	5
13930075	Exact_Mass	113.084063974
9963056	Covalent_Unit_Count	3
5873	Undefined_Bond_Stereo_Count	0
447715	Tautomer_Count	1
547676	Mono_Isotopic_Weight	102.104465066
522062	Total_Formal_Charge	0
19938786	Non-hydrogen_Atom_Count	8
6165177	TPSA	160
69957602	Hydrogen_Bond_Donor_Count	1
5287792	Total_Formal_Charge	0
9570092	TPSA	57.9
1086	Undefined_Bond_Stereo_Count	0
80837	Mono_Isotopic_Weight	706.13954689
7318	Covalent_Unit_Count	1
25422	TPSA	13.1
15512	Isotope_Atom_Count	0
6925	Undefined_Atom_Stereo_Count	0
112499971	Molecular_Weight	674.5
125409	Covalent_Unit_Count	1
50986266	Total_Formal_Charge	0
91773	Rotatable_Bond_Count	4
123516214	Molecular_Weight	102.13
133687818	Isotope_Atom_Count	0
534283	Structure_Complexity	64.6
23694214	Rotatable_Bond_Count	7
9867812	Undefined_Atom_Stereo_Count	0
82789	Defined_Bond_Stereo_Count	0
66577114	Molecular_Weight	852.8
22836365	Exact_Mass	181.06674293
360129	TPSA	139
2816568	Isotope_Atom_Count	0
137944176	Total_Formal_Charge	0
545422	Rotatable_Bond_Count	5
40926	Covalent_Unit_Count	1
75714	Non-hydrogen_Atom_Count	8
59772685	Molecular_Weight	432.4
517313	Rotatable_Bond_Count	6
5941539	Structure_Complexity	577
135556680	Structure_Complexity	119
14546681	Undefined_Bond_Stereo_Count	0
109014	Mono_Isotopic_Weight	170.084398327
66270	Covalent_Unit_Count	1
15528723	TPSA	40.5
11000531	Mono_Isotopic_Weight	283.08445790
12004215	Defined_Atom_Stereo_Count	9
24758982	Undefined_Bond_Stereo_Count	0
6604122	Exact_Mass	376.16343649
52949373	Hydrogen_Bond_Acceptor_Count	8
163468867	Undefined_Bond_Stereo_Count	0
559072	Hydrogen_Bond_Donor_Count	0
79497	Mono_Isotopic_Weight	176.120115130
57484773	Hydrogen_Bond_Donor_Count	0
24198694	Non-hydrogen_Atom_Count	28
46936405	Mono_Isotopic_Weight	316.07022733
10995	Non-hydrogen_Atom_Count	7
12021	Molecular_Weight	90.08
23670359	Hydrogen_Bond_Acceptor_Count	8
6437850	Undefined_Atom_Stereo_Count	0
87216	Hydrogen_Bond_Acceptor_Count	8
903755	Undefined_Bond_Stereo_Count	0
90942710	Total_Formal_Charge	0
36283	Hydrogen_Bond_Acceptor_Count	4
123702	Exact_Mass	288.21748344
28718	Total_Formal_Charge	0
71512	Rotatable_Bond_Count	5
66815	Defined_Bond_Stereo_Count	0
81477	Hydrogen_Bond_Donor_Count	2
21673601	Defined_Atom_Stereo_Count	0
447277	Undefined_Atom_Stereo_Count	0
1519487	Covalent_Unit_Count	1
167724	Covalent_Unit_Count	1
67054	Hydrogen_Bond_Donor_Count	2
67849	Hydrogen_Bond_Donor_Count	0
1326	Isotope_Atom_Count	0
20782688	Covalent_Unit_Count	1
94570	Total_Formal_Charge	0
421	Tautomer_Count	1
11597697	Mono_Isotopic_Weight	455.17599275
23721629	TPSA	60.4
7652	Molecular_Weight	238.28
42070	Hydrogen_Bond_Acceptor_Count	2
134150175	Structure_Complexity	939
74809	Total_Formal_Charge	0
411817	Exact_Mass	282.1498911
12290	Mono_Isotopic_Weight	95.037113783
9868219	Undefined_Atom_Stereo_Count	0
11528340	Mono_Isotopic_Weight	118.074227566
808817	Undefined_Bond_Stereo_Count	0
32446	Molecular_Weight	357.9
12230	Undefined_Atom_Stereo_Count	0
87212	Undefined_Bond_Stereo_Count	0
108938	Total_Formal_Charge	0
107676	Covalent_Unit_Count	3
54285963	Undefined_Atom_Stereo_Count	0
4659387	Hydrogen_Bond_Donor_Count	2
94926	XLogP3-AA	3
76344	Hydrogen_Bond_Acceptor_Count	4
91599597	Exact_Mass	110.109550447
1449	Undefined_Atom_Stereo_Count	0
31099	Tautomer_Count	2
132192027	Undefined_Atom_Stereo_Count	0
29093	Covalent_Unit_Count	1
12602	XLogP3-AA	1.5
6435068	Rotatable_Bond_Count	11
9009	Tautomer_Count	1
498233	Undefined_Bond_Stereo_Count	0
2370	Molecular_Weight	161.22
636750	Tautomer_Count	1
3081561	Molecular_Weight	1680.5
6420039	Isotope_Atom_Count	0
10812218	Undefined_Bond_Stereo_Count	0
69333861	Hydrogen_Bond_Acceptor_Count	4
11024312	Defined_Atom_Stereo_Count	8
14528851	Molecular_Weight	112.17
10986	Structure_Complexity	25.5
72728690	TPSA	33
87186939	Exact_Mass	113.022526347
8207	TPSA	20.2
14768	Covalent_Unit_Count	1
11954319	Rotatable_Bond_Count	4
71661882	Molecular_Weight	605.1
10038849	Undefined_Bond_Stereo_Count	0
71541189	Undefined_Bond_Stereo_Count	0
11416126	Hydrogen_Bond_Donor_Count	1
128423	Undefined_Atom_Stereo_Count	1
1301	Exact_Mass	252.07623855
58207	Defined_Atom_Stereo_Count	0
3335	Mono_Isotopic_Weight	254.094294304
158729741	Hydrogen_Bond_Acceptor_Count	4
18730044	Hydrogen_Bond_Acceptor_Count	0
76507	Undefined_Bond_Stereo_Count	0
5311101	Non-hydrogen_Atom_Count	30
40998	Mono_Isotopic_Weight	409.1422784
25142309	Undefined_Bond_Stereo_Count	0
51299	XLogP3	1.9
23617351	Total_Formal_Charge	0
10991686	Defined_Bond_Stereo_Count	3
53960	Structure_Complexity	295
25127112	Defined_Bond_Stereo_Count	0
5361462	Mono_Isotopic_Weight	489.976916
154562176	Total_Formal_Charge	0
69158	XLogP3	3.4
21791020	Structure_Complexity	77.7
44033	Non-hydrogen_Atom_Count	23
3082127	Mono_Isotopic_Weight	225.95807833
6735	Defined_Atom_Stereo_Count	0
94617	Isotope_Atom_Count	0
5365748	Structure_Complexity	197
14284	Defined_Atom_Stereo_Count	0
16211283	Exact_Mass	396.1815851
194647	Undefined_Atom_Stereo_Count	8
625	Defined_Bond_Stereo_Count	0
135019886	Non-hydrogen_Atom_Count	23
523547	Undefined_Atom_Stereo_Count	1
25062766	Rotatable_Bond_Count	6
82658	Exact_Mass	140.083729621
70719	Defined_Bond_Stereo_Count	0
14843	Structure_Complexity	502
18936148	Isotope_Atom_Count	0
19937448	Structure_Complexity	170
91707	Molecular_Weight	361.8
67322	Hydrogen_Bond_Acceptor_Count	6
2599	Undefined_Atom_Stereo_Count	0
6422232	Defined_Bond_Stereo_Count	0
70686373	Hydrogen_Bond_Acceptor_Count	6
308140	Undefined_Atom_Stereo_Count	0
21354354	Non-hydrogen_Atom_Count	8
3036443	Total_Formal_Charge	0
193846	Isotope_Atom_Count	0
77690	Defined_Bond_Stereo_Count	0
16219471	Non-hydrogen_Atom_Count	22
3544	Hydrogen_Bond_Acceptor_Count	5
10131132	Mono_Isotopic_Weight	247.0611356
9433	Exact_Mass	420.19819929
72506564	Undefined_Atom_Stereo_Count	0
26038	Undefined_Atom_Stereo_Count	0
443407	Structure_Complexity	772
484651	Non-hydrogen_Atom_Count	80
71342	Hydrogen_Bond_Acceptor_Count	4
68365444	Covalent_Unit_Count	1
4908365	Undefined_Bond_Stereo_Count	0
6440938	Hydrogen_Bond_Donor_Count	1
12347357	TPSA	37.3
87853465	Undefined_Bond_Stereo_Count	0
10466948	Total_Formal_Charge	0
79834	Hydrogen_Bond_Donor_Count	1
14944610	Hydrogen_Bond_Donor_Count	2
7908	Molecular_Weight	101.19
11479128	Undefined_Atom_Stereo_Count	0
444182	Total_Formal_Charge	0
626366	Isotope_Atom_Count	0
122528532	Hydrogen_Bond_Acceptor_Count	3
10061651	Total_Formal_Charge	0
114853	Covalent_Unit_Count	1
9600409	Defined_Bond_Stereo_Count	1
19930642	Molecular_Weight	116.12
20224712	Undefined_Atom_Stereo_Count	0
122121	Undefined_Bond_Stereo_Count	0
18382	Hydrogen_Bond_Acceptor_Count	2
2543	Defined_Bond_Stereo_Count	0
14202705	Hydrogen_Bond_Acceptor_Count	1
491022	Non-hydrogen_Atom_Count	37
49	TPSA	54.4
91089723	Non-hydrogen_Atom_Count	7
14976610	Undefined_Bond_Stereo_Count	0
59350891	Undefined_Bond_Stereo_Count	0
400182	Structure_Complexity	1330
92660	Molecular_Weight	246.09
138062	Non-hydrogen_Atom_Count	7
71464685	Hydrogen_Bond_Donor_Count	6
123359	Non-hydrogen_Atom_Count	2
3017748	Tautomer_Count	1
129671450	Covalent_Unit_Count	1
29396	Hydrogen_Bond_Donor_Count	2
30291	XLogP3-AA	2.5
123555270	Mono_Isotopic_Weight	108.093900383
121285115	Isotope_Atom_Count	0
2020	Isotope_Atom_Count	0
146199	Defined_Bond_Stereo_Count	0
221126	Hydrogen_Bond_Donor_Count	0
29075	Hydrogen_Bond_Donor_Count	0
15681557	TPSA	106
18980	XLogP3-AA	0.5
618	TPSA	168
132541087	Hydrogen_Bond_Donor_Count	0
59347	Exact_Mass	241.0869564
177085	Molecular_Weight	184.62
91298647	Defined_Atom_Stereo_Count	0
440317	Rotatable_Bond_Count	8
88267	Defined_Atom_Stereo_Count	0
22170247	Isotope_Atom_Count	0
11424880	Hydrogen_Bond_Donor_Count	1
18952320	Total_Formal_Charge	0
16492	Tautomer_Count	1
16832	Exact_Mass	158.130679813
12207123	Mono_Isotopic_Weight	71.073499291
7026	Non-hydrogen_Atom_Count	19
2728077	Exact_Mass	215.094628657
41442	Isotope_Atom_Count	0
8085	Total_Formal_Charge	0
11040632	Defined_Atom_Stereo_Count	0
24066	Non-hydrogen_Atom_Count	15
42231	Undefined_Atom_Stereo_Count	0
12210211	Non-hydrogen_Atom_Count	8
35384	Defined_Bond_Stereo_Count	0
444025	Undefined_Atom_Stereo_Count	0
224243	Undefined_Atom_Stereo_Count	2
18705389	Undefined_Atom_Stereo_Count	1
22812306	Total_Formal_Charge	0
71455485	Non-hydrogen_Atom_Count	35
110789	XLogP3-AA	2.1
6109	Hydrogen_Bond_Acceptor_Count	10
20591	Exact_Mass	151.063328530
13382623	Non-hydrogen_Atom_Count	8
4469994	TPSA	113
136470	TPSA	0
457928	Isotope_Atom_Count	0
134688154	Total_Formal_Charge	0
8699	Defined_Atom_Stereo_Count	0
125520	Molecular_Weight	168.19
548353	Covalent_Unit_Count	1
71007	Rotatable_Bond_Count	1
11102	Rotatable_Bond_Count	22
9823454	Structure_Complexity	692
8795	Mono_Isotopic_Weight	129.126597491
11159486	Total_Formal_Charge	0
57674785	Covalent_Unit_Count	1
87212	Defined_Atom_Stereo_Count	0
16732454	Hydrogen_Bond_Donor_Count	2
14895680	Isotope_Atom_Count	0
48432	Undefined_Atom_Stereo_Count	0
65015	TPSA	78.7
3055957	Undefined_Bond_Stereo_Count	0
419182	Defined_Bond_Stereo_Count	0
7351	Hydrogen_Bond_Donor_Count	0
30072	Undefined_Atom_Stereo_Count	4
155346	Isotope_Atom_Count	0
65263	Mono_Isotopic_Weight	622.44478003
13207	Structure_Complexity	101
21617086	Exact_Mass	113.047678466
538141	TPSA	35.3
64302	Structure_Complexity	1100
87517	XLogP3-AA	3
13601	Rotatable_Bond_Count	0
2871	Exact_Mass	362.0144595
6881	XLogP3	4
54580795	Isotope_Atom_Count	0
11949646	Tautomer_Count	1
20943	XLogP3	2.6
6554040	Defined_Atom_Stereo_Count	3
56626310	Isotope_Atom_Count	0
10325129	Defined_Bond_Stereo_Count	0
12536	Undefined_Atom_Stereo_Count	4
6918540	Molecular_Weight	389.6
45528	Hydrogen_Bond_Acceptor_Count	3
6375	Hydrogen_Bond_Donor_Count	0
51930	Tautomer_Count	1
4382	Hydrogen_Bond_Acceptor_Count	3
5282386	Exact_Mass	280.1706265
3938668	Structure_Complexity	283
10755924	Total_Formal_Charge	0
537092	Mono_Isotopic_Weight	132.115029749
38221	TPSA	144
11321894	Covalent_Unit_Count	1
26130	Mono_Isotopic_Weight	139.026943022
163677749	XLogP3-AA	0.7
216208	Total_Formal_Charge	0
3049771	Non-hydrogen_Atom_Count	12
61029	Hydrogen_Bond_Acceptor_Count	3
23080859	Non-hydrogen_Atom_Count	8
69371	Hydrogen_Bond_Donor_Count	2
431249	Structure_Complexity	668
68890	Rotatable_Bond_Count	5
136400	Undefined_Atom_Stereo_Count	0
53315792	Hydrogen_Bond_Donor_Count	6
56626310	Hydrogen_Bond_Donor_Count	0
600269	Exact_Mass	175.04557046
66587017	Mono_Isotopic_Weight	458.0553388
63198	Mono_Isotopic_Weight	252.126263138
5325710	Undefined_Atom_Stereo_Count	0
89748954	Undefined_Atom_Stereo_Count	2
11643980	Non-hydrogen_Atom_Count	11
5355856	Molecular_Weight	224.34
12934018	Molecular_Weight	98.10
55710	Isotope_Atom_Count	0
55291451	Isotope_Atom_Count	0
133561861	Hydrogen_Bond_Acceptor_Count	3
46853654	Exact_Mass	516.19033720
92094	Rotatable_Bond_Count	12
36486	Isotope_Atom_Count	0
17806258	Hydrogen_Bond_Acceptor_Count	2
3033860	Defined_Bond_Stereo_Count	1
4686	Exact_Mass	434.21046687
2650	Exact_Mass	546.09913941
3515	Exact_Mass	198.140850574
4630913	Defined_Atom_Stereo_Count	0
12313776	Undefined_Bond_Stereo_Count	0
705935	Undefined_Bond_Stereo_Count	0
164075219	Undefined_Bond_Stereo_Count	0
8522	Exact_Mass	313.99161
4748	Exact_Mass	403.1485113
12731218	Hydrogen_Bond_Acceptor_Count	1
2771758	Tautomer_Count	7
10115	XLogP3-AA	11.5
2002	Defined_Atom_Stereo_Count	0
21534	Hydrogen_Bond_Donor_Count	2
890070	Rotatable_Bond_Count	3
89904392	Total_Formal_Charge	0
74735	Defined_Bond_Stereo_Count	0
9813758	Undefined_Bond_Stereo_Count	0
133556498	Non-hydrogen_Atom_Count	43
12343986	Covalent_Unit_Count	1
557796	Covalent_Unit_Count	1
171257	Covalent_Unit_Count	2
96251	Mono_Isotopic_Weight	244.088815002
5738	Defined_Bond_Stereo_Count	0
634423	Structure_Complexity	835
18779	Defined_Bond_Stereo_Count	0
14523552	Covalent_Unit_Count	1
234808	Rotatable_Bond_Count	0
339	Defined_Bond_Stereo_Count	0
4621	Total_Formal_Charge	0
70734	TPSA	58.7
16738927	TPSA	132
71335300	Molecular_Weight	110.15
11643997	Total_Formal_Charge	0
619387	Isotope_Atom_Count	0
19040543	Total_Formal_Charge	0
65125	TPSA	84.7
58208	Defined_Atom_Stereo_Count	0
6096880	Defined_Bond_Stereo_Count	0
71312306	Defined_Bond_Stereo_Count	0
53385579	Defined_Atom_Stereo_Count	4
219050	Exact_Mass	346.204513457
102198498	Defined_Atom_Stereo_Count	0
57401681	Undefined_Atom_Stereo_Count	0
5457	Hydrogen_Bond_Donor_Count	0
22559336	Hydrogen_Bond_Donor_Count	0
67374621	Isotope_Atom_Count	0
17779323	Hydrogen_Bond_Acceptor_Count	1
1397	Non-hydrogen_Atom_Count	47
118529	Isotope_Atom_Count	0
78255	Undefined_Atom_Stereo_Count	0
9868491	TPSA	76
23702994	Structure_Complexity	1340
14546681	Undefined_Atom_Stereo_Count	0
7252	Covalent_Unit_Count	1
14643618	Structure_Complexity	91.1
85912645	Mono_Isotopic_Weight	98.036779430
13465757	Structure_Complexity	261
43838	Rotatable_Bond_Count	5
40697	XLogP3-AA	4.5
95169	Undefined_Atom_Stereo_Count	0
6426739	Isotope_Atom_Count	0
110964	Defined_Bond_Stereo_Count	0
71012	Isotope_Atom_Count	0
12576587	Structure_Complexity	78.1
1549103	Undefined_Bond_Stereo_Count	0
67258371	Rotatable_Bond_Count	0
71719561	Undefined_Atom_Stereo_Count	0
54675757	Hydrogen_Bond_Acceptor_Count	3
53998308	Undefined_Atom_Stereo_Count	0
9984374	Hydrogen_Bond_Acceptor_Count	12
90488914	TPSA	272
21473742	Exact_Mass	107.048347172
9954114	Defined_Atom_Stereo_Count	0
12576852	Structure_Complexity	74.4
19754593	Defined_Bond_Stereo_Count	0
3009010	XLogP3-AA	3.6
129734884	TPSA	207
14796	TPSA	34.1
69861	Hydrogen_Bond_Donor_Count	1
146157761	Hydrogen_Bond_Donor_Count	3
7135	Hydrogen_Bond_Acceptor_Count	2
4736	Rotatable_Bond_Count	2
45086609	Hydrogen_Bond_Donor_Count	2
3640	Non-hydrogen_Atom_Count	26
28693	Hydrogen_Bond_Acceptor_Count	3
95069	Mono_Isotopic_Weight	224.058577502
519218	Covalent_Unit_Count	2
4075	Rotatable_Bond_Count	1
6986	Total_Formal_Charge	0
91770	TPSA	91.6
139057938	Defined_Atom_Stereo_Count	0
6917733	Non-hydrogen_Atom_Count	31
79244	TPSA	37.4
11234	Non-hydrogen_Atom_Count	16
1367	Hydrogen_Bond_Acceptor_Count	3
60924	Structure_Complexity	293
65614	Tautomer_Count	4
24888274	Hydrogen_Bond_Acceptor_Count	3
10937610	Covalent_Unit_Count	1
7494	Exact_Mass	167.058243149
81638	Mono_Isotopic_Weight	223.0036207
44310707	Mono_Isotopic_Weight	375.21580641
6427102	Total_Formal_Charge	0
124844	Undefined_Bond_Stereo_Count	0
57644703	Isotope_Atom_Count	0
87847445	Structure_Complexity	120
5353843	Defined_Bond_Stereo_Count	1
15942672	TPSA	63.2
9555	Defined_Bond_Stereo_Count	0
57484	Undefined_Atom_Stereo_Count	0
23204	Total_Formal_Charge	0
20072996	Molecular_Weight	101.15
30249	XLogP3-AA	4.2
17747460	Hydrogen_Bond_Donor_Count	0
12576852	Covalent_Unit_Count	1
39379	Covalent_Unit_Count	2
72495	XLogP3-AA	4.3
12443367	Isotope_Atom_Count	0
643985	Covalent_Unit_Count	1
131876601	Defined_Bond_Stereo_Count	2
68401	Hydrogen_Bond_Donor_Count	1
151205	Undefined_Bond_Stereo_Count	0
181052	XLogP3-AA	3.3
12830793	Undefined_Atom_Stereo_Count	0
122051	Undefined_Bond_Stereo_Count	0
6002	Defined_Atom_Stereo_Count	0
180335	Rotatable_Bond_Count	6
3086167	Total_Formal_Charge	0
44097	Covalent_Unit_Count	1
12702413	Hydrogen_Bond_Donor_Count	1
22910010	Exact_Mass	112.088815002
9782	Rotatable_Bond_Count	2
14057	Defined_Atom_Stereo_Count	0
10348973	Defined_Atom_Stereo_Count	0
638026	Covalent_Unit_Count	1
54675842	Defined_Bond_Stereo_Count	0
9843750	XLogP3-AA	1.3
10813807	Undefined_Bond_Stereo_Count	0
71076901	Undefined_Bond_Stereo_Count	0
12228201	Undefined_Bond_Stereo_Count	0
173730	Hydrogen_Bond_Acceptor_Count	5
21581715	TPSA	43.1
6206	Total_Formal_Charge	0
11105314	Exact_Mass	97.052763847
46173365	Mono_Isotopic_Weight	552.03040840
6321330	Hydrogen_Bond_Acceptor_Count	6
10357919	Molecular_Weight	308.4
443788	Undefined_Bond_Stereo_Count	0
123519331	Hydrogen_Bond_Donor_Count	1
57043	Mono_Isotopic_Weight	470.29669976
25005580	Total_Formal_Charge	0
14990169	Exact_Mass	292.276615768
123618563	Hydrogen_Bond_Donor_Count	0
15057	Covalent_Unit_Count	2
358	Defined_Bond_Stereo_Count	0
135697	TPSA	50.4
129827902	TPSA	609
750284	Undefined_Atom_Stereo_Count	0
12387212	Total_Formal_Charge	0
596091	Rotatable_Bond_Count	4
643968	Mono_Isotopic_Weight	246.06519962
5957	Isotope_Atom_Count	0
129514	Tautomer_Count	4
133268467	Hydrogen_Bond_Acceptor_Count	3
10882	Total_Formal_Charge	0
15079262	Hydrogen_Bond_Acceptor_Count	3
307975	Hydrogen_Bond_Donor_Count	1
71719561	Defined_Atom_Stereo_Count	0
117781134	Molecular_Weight	196.29
398637	Covalent_Unit_Count	1
12205389	Isotope_Atom_Count	1
93357	Structure_Complexity	643
45480520	Defined_Atom_Stereo_Count	1
15529	Isotope_Atom_Count	0
168088	Hydrogen_Bond_Donor_Count	1
40146	Rotatable_Bond_Count	3
20838642	Undefined_Bond_Stereo_Count	0
90127780	Hydrogen_Bond_Acceptor_Count	1
123994818	Molecular_Weight	87.12
123979	Molecular_Weight	240.25
135626366	Structure_Complexity	128
53677339	Defined_Bond_Stereo_Count	0
10241	Isotope_Atom_Count	0
688356	Structure_Complexity	394
3597	Total_Formal_Charge	0
9955534	Defined_Bond_Stereo_Count	0
704205	Undefined_Atom_Stereo_Count	0
92530	Undefined_Atom_Stereo_Count	2
9798547	Structure_Complexity	482
22507733	Undefined_Atom_Stereo_Count	0
5460819	Undefined_Bond_Stereo_Count	0
12622120	Rotatable_Bond_Count	3
59144	Total_Formal_Charge	0
24233	Defined_Bond_Stereo_Count	0
590596	XLogP3-AA	1.3
13435928	Hydrogen_Bond_Acceptor_Count	2
529269	Covalent_Unit_Count	1
89388	Exact_Mass	222.08920892
20054871	Rotatable_Bond_Count	7
123610	Isotope_Atom_Count	0
688667	Exact_Mass	282.08920892
424353	Rotatable_Bond_Count	6
75443	Rotatable_Bond_Count	2
24871329	Mono_Isotopic_Weight	639.8696636
7392	TPSA	17.1
57484	Defined_Atom_Stereo_Count	0
227541	Tautomer_Count	1
11858153	Structure_Complexity	423
13492096	Rotatable_Bond_Count	1
23079882	Hydrogen_Bond_Acceptor_Count	6
344693	Hydrogen_Bond_Donor_Count	1
522105	Structure_Complexity	70.8
7852	TPSA	26
45934355	Structure_Complexity	457
76376	Total_Formal_Charge	1
3397	XLogP3	3.3
907170	Mono_Isotopic_Weight	289.16779360
11480819	Mono_Isotopic_Weight	181.06674293
44760	Exact_Mass	450.1743917
140376	Hydrogen_Bond_Acceptor_Count	2
328257	Non-hydrogen_Atom_Count	7
440175	Total_Formal_Charge	0
5461012	XLogP3-AA	6.8
5478933	XLogP3-AA	2.2
12785	Hydrogen_Bond_Donor_Count	2
149755	TPSA	163
643976	Structure_Complexity	844
22673292	Exact_Mass	106.062994177
18506426	Rotatable_Bond_Count	3
2750	Mono_Isotopic_Weight	333.13986477
372	Structure_Complexity	348
29772	Total_Formal_Charge	0
22660	Tautomer_Count	2
317677	Structure_Complexity	74.6
22340	Structure_Complexity	39.2
23681217	TPSA	81.6
6428543	Rotatable_Bond_Count	5
38532	Undefined_Bond_Stereo_Count	2
137938996	Exact_Mass	114.068079557
70689387	Covalent_Unit_Count	1
49769064	Covalent_Unit_Count	1
8015	Mono_Isotopic_Weight	68.037448136
220001	Covalent_Unit_Count	1
11440492	Total_Formal_Charge	0
129867899	Rotatable_Bond_Count	4
47965	Isotope_Atom_Count	0
15715748	XLogP3-AA	2
146159501	Undefined_Bond_Stereo_Count	1
55993	Total_Formal_Charge	0
27561	Defined_Bond_Stereo_Count	0
104838	Hydrogen_Bond_Donor_Count	3
54011	Defined_Bond_Stereo_Count	0
12318317	Hydrogen_Bond_Donor_Count	0
40470	Hydrogen_Bond_Donor_Count	0
57401570	Exact_Mass	370.10996162
72196	Defined_Bond_Stereo_Count	0
3264	Exact_Mass	356.19875937
59059060	Undefined_Bond_Stereo_Count	0
57394708	Structure_Complexity	746
71680844	Undefined_Atom_Stereo_Count	1
118856278	Structure_Complexity	749
442431	Rotatable_Bond_Count	6
20486	Mono_Isotopic_Weight	421.9782500
88553883	Structure_Complexity	108
54676884	Defined_Atom_Stereo_Count	0
143670559	Isotope_Atom_Count	0
71343994	Structure_Complexity	90.4
9548590	Isotope_Atom_Count	0
18376592	Defined_Atom_Stereo_Count	0
153834924	TPSA	47.6
135459971	Non-hydrogen_Atom_Count	19
57887199	Total_Formal_Charge	0
86122	Total_Formal_Charge	0
20105	Mono_Isotopic_Weight	255.15176686
12968	Exact_Mass	189.11873540
40605	Exact_Mass	293.01535022
9887884	Non-hydrogen_Atom_Count	31
121207396	Structure_Complexity	134
32283	Isotope_Atom_Count	0
124085867	Hydrogen_Bond_Donor_Count	0
12871376	Hydrogen_Bond_Donor_Count	0
129688356	Molecular_Weight	235.26
64148	Hydrogen_Bond_Donor_Count	0
64120439	Isotope_Atom_Count	0
12623293	XLogP3-AA	2.6
15956520	Hydrogen_Bond_Acceptor_Count	9
129396765	TPSA	180
6918314	Mono_Isotopic_Weight	441.21647512
447555	TPSA	134
3328	Non-hydrogen_Atom_Count	20
13258	Structure_Complexity	220
242493	Mono_Isotopic_Weight	306.255880323
135398515	Mono_Isotopic_Weight	317.01803556
11582651	Defined_Atom_Stereo_Count	1
129854350	Isotope_Atom_Count	0
57572416	Undefined_Bond_Stereo_Count	0
75785	Exact_Mass	193.110278721
155293383	Molecular_Weight	877.0
6537197	Tautomer_Count	2
54267	Structure_Complexity	13.1
9518	Hydrogen_Bond_Donor_Count	0
18714263	Isotope_Atom_Count	0
11789150	Hydrogen_Bond_Acceptor_Count	1
36082	Hydrogen_Bond_Acceptor_Count	1
10129	Mono_Isotopic_Weight	138.140850574
4900	Rotatable_Bond_Count	2
129754695	Undefined_Atom_Stereo_Count	2
10131842	Undefined_Atom_Stereo_Count	0
21306607	TPSA	12
56972665	Hydrogen_Bond_Donor_Count	0
76973133	Structure_Complexity	418
14294229	Undefined_Bond_Stereo_Count	0
533460	Undefined_Bond_Stereo_Count	0
71462631	Defined_Bond_Stereo_Count	0
12309460	Molecular_Weight	406.9
146131	Structure_Complexity	228
2224	Mono_Isotopic_Weight	356.23270009
20695916	Rotatable_Bond_Count	1
131954443	Total_Formal_Charge	0
97725	Undefined_Bond_Stereo_Count	0
21180574	Defined_Bond_Stereo_Count	0
637540	Defined_Bond_Stereo_Count	1
45479680	Non-hydrogen_Atom_Count	55
65174649	Molecular_Weight	112.17
65477	Defined_Bond_Stereo_Count	0
701038	Rotatable_Bond_Count	2
18541897	Isotope_Atom_Count	0
693507	Structure_Complexity	435
53340426	Covalent_Unit_Count	1
4514	Tautomer_Count	2
61892972	Defined_Bond_Stereo_Count	0
756126	Hydrogen_Bond_Donor_Count	0
16051	Defined_Atom_Stereo_Count	0
41649	Mono_Isotopic_Weight	373.1080858
105426925	TPSA	23.8
156963344	Covalent_Unit_Count	1
23430	Exact_Mass	448.18456586
15083770	Isotope_Atom_Count	0
93131	Tautomer_Count	1
10073306	Defined_Bond_Stereo_Count	0
160796	Hydrogen_Bond_Donor_Count	2
4369413	Hydrogen_Bond_Donor_Count	1
257950	Structure_Complexity	160
21513403	Undefined_Bond_Stereo_Count	0
9528	Tautomer_Count	1
24901351	XLogP3-AA	3.3
40657	Rotatable_Bond_Count	11
91984	Non-hydrogen_Atom_Count	14
5288606	Total_Formal_Charge	0
13200	Structure_Complexity	128
636362	Isotope_Atom_Count	0
25171607	Undefined_Bond_Stereo_Count	0
73356	Hydrogen_Bond_Donor_Count	2
9980551	Rotatable_Bond_Count	4
3989307	Undefined_Atom_Stereo_Count	2
225147	Exact_Mass	116.083729621
13315542	Covalent_Unit_Count	1
3826	Hydrogen_Bond_Donor_Count	1
10796718	Total_Formal_Charge	0
822315	Mono_Isotopic_Weight	272.11206962
44429	Defined_Bond_Stereo_Count	0
650625	Hydrogen_Bond_Donor_Count	1
9918460	Undefined_Bond_Stereo_Count	0
18442764	Total_Formal_Charge	0
159190124	Rotatable_Bond_Count	15
50225	Undefined_Bond_Stereo_Count	0
44321290	Covalent_Unit_Count	1
56205	Covalent_Unit_Count	2
10558601	Hydrogen_Bond_Acceptor_Count	2
16220015	Hydrogen_Bond_Donor_Count	1
153270	Exact_Mass	523.20669828
54757838	TPSA	107
42334	Undefined_Atom_Stereo_Count	2
13595226	Defined_Bond_Stereo_Count	0
17549	Mono_Isotopic_Weight	224.04332136
10569	XLogP3-AA	4.8
129700770	Exact_Mass	324.183778013
10180	Undefined_Atom_Stereo_Count	0
138733	Rotatable_Bond_Count	0
171527	TPSA	21.7
70106	Exact_Mass	98.073164938
540877	Undefined_Atom_Stereo_Count	6
60574	Isotope_Atom_Count	0
44155874	Hydrogen_Bond_Acceptor_Count	5
959571	Undefined_Atom_Stereo_Count	0
61719	Structure_Complexity	444
250096	Covalent_Unit_Count	1
89402065	Isotope_Atom_Count	0
14113	Non-hydrogen_Atom_Count	13
153005	Exact_Mass	217.04087901
42602176	XLogP3-AA	1.3
24090	Undefined_Atom_Stereo_Count	1
32603	Exact_Mass	504.1462019
9464	Undefined_Atom_Stereo_Count	0
33845	Structure_Complexity	268
5364420	XLogP3-AA	6.9
426756	Undefined_Bond_Stereo_Count	0
90859735	Hydrogen_Bond_Donor_Count	0
22717649	Total_Formal_Charge	0
185588	Covalent_Unit_Count	1
21932259	Mono_Isotopic_Weight	405.02516722
85500	Rotatable_Bond_Count	6
135747285	Rotatable_Bond_Count	6
10886	TPSA	26.3
31101	Isotope_Atom_Count	0
10197650	Rotatable_Bond_Count	2
54475034	Covalent_Unit_Count	1
53562	Structure_Complexity	343
10953456	Undefined_Bond_Stereo_Count	0
53793878	Covalent_Unit_Count	1
73174	Hydrogen_Bond_Acceptor_Count	2
21124389	Defined_Bond_Stereo_Count	0
12559270	Total_Formal_Charge	0
8606	TPSA	62.7
20723390	Rotatable_Bond_Count	0
50990393	Mono_Isotopic_Weight	923.48784986
28417	Covalent_Unit_Count	1
31877	Molecular_Weight	85.10
58098237	Defined_Bond_Stereo_Count	0
16278	Rotatable_Bond_Count	2
64033	Molecular_Weight	260.29
68120	Rotatable_Bond_Count	1
134694652	Defined_Bond_Stereo_Count	1
163429552	Defined_Bond_Stereo_Count	0
201874	TPSA	44.1
59648875	Total_Formal_Charge	0
11159325	Hydrogen_Bond_Acceptor_Count	3
44412343	Defined_Bond_Stereo_Count	0
21401558	Covalent_Unit_Count	1
17799937	TPSA	24.4
83486	Molecular_Weight	354.89
45357585	Undefined_Atom_Stereo_Count	0
53472153	Defined_Atom_Stereo_Count	0
120095	TPSA	20.2
12480891	Non-hydrogen_Atom_Count	7
118513932	Non-hydrogen_Atom_Count	30
1217	Exact_Mass	167.058243149
11159325	Defined_Atom_Stereo_Count	0
21972427	Hydrogen_Bond_Acceptor_Count	2
638340	Non-hydrogen_Atom_Count	22
668081	XLogP3-AA	3.7
447145	Mono_Isotopic_Weight	463.07404340
1489495	Defined_Atom_Stereo_Count	0
70693583	Hydrogen_Bond_Donor_Count	1
317883	Undefined_Bond_Stereo_Count	0
7917	Non-hydrogen_Atom_Count	7
158299	Hydrogen_Bond_Donor_Count	0
23545756	TPSA	24.4
3048339	TPSA	23.5
23663624	Undefined_Bond_Stereo_Count	0
132420	TPSA	70
85945952	Hydrogen_Bond_Acceptor_Count	2
139057564	Hydrogen_Bond_Donor_Count	2
6331	Covalent_Unit_Count	1
7847	Molecular_Weight	56.06
85838693	Isotope_Atom_Count	0
175945	Covalent_Unit_Count	1
131673820	Isotope_Atom_Count	0
9887537	Isotope_Atom_Count	0
4228493	Defined_Bond_Stereo_Count	0
25271790	XLogP3	0.7
12672	TPSA	0
5687	Molecular_Weight	297.31
6444834	Undefined_Atom_Stereo_Count	1
3482402	Total_Formal_Charge	0
24785538	Mono_Isotopic_Weight	461.20878459
39593	Molecular_Weight	220.31
17038	Defined_Bond_Stereo_Count	0
9955836	Defined_Bond_Stereo_Count	0
5353760	Covalent_Unit_Count	1
6994279	Molecular_Weight	106.12
12336279	TPSA	15.6
165074	Isotope_Atom_Count	0
4523964	Covalent_Unit_Count	1
11684684	Molecular_Weight	496.0
11749756	Rotatable_Bond_Count	10
12251749	Structure_Complexity	92.5
33899	Total_Formal_Charge	0
34213	Molecular_Weight	346.8
83167	Mono_Isotopic_Weight	209.04365571
138113391	Defined_Atom_Stereo_Count	7
20521791	Rotatable_Bond_Count	1
737769	Molecular_Weight	324.4
6444037	Rotatable_Bond_Count	22
8119	Isotope_Atom_Count	0
5284542	XLogP3-AA	1.1
181511	Undefined_Bond_Stereo_Count	0
376375	Undefined_Atom_Stereo_Count	0
11423563	Isotope_Atom_Count	0
9228	Hydrogen_Bond_Acceptor_Count	2
2675	Mono_Isotopic_Weight	453.04129018
6854	Exact_Mass	167.073499291
16003	Defined_Atom_Stereo_Count	0
135437	Hydrogen_Bond_Acceptor_Count	4
12160	Undefined_Bond_Stereo_Count	0
641245	Hydrogen_Bond_Acceptor_Count	0
2037	Undefined_Bond_Stereo_Count	0
136797998	Structure_Complexity	555
11789135	Total_Formal_Charge	0
135524781	Defined_Atom_Stereo_Count	0
42635875	XLogP3-AA	0.2
123894108	Exact_Mass	101.084063974
19660	XLogP3-AA	1.2
163050679	Non-hydrogen_Atom_Count	20
6010	Hydrogen_Bond_Donor_Count	1
3033984	Total_Formal_Charge	0
67432369	Rotatable_Bond_Count	0
6426660	Hydrogen_Bond_Acceptor_Count	4
32266	Structure_Complexity	477
44134844	Hydrogen_Bond_Acceptor_Count	31
16211839	Tautomer_Count	1
71183	Undefined_Bond_Stereo_Count	0
9885850	Exact_Mass	371.9538468
44348524	Mono_Isotopic_Weight	416.32904526
23724556	Undefined_Atom_Stereo_Count	7
29498	Total_Formal_Charge	0
20056950	Mono_Isotopic_Weight	440.16000488
76335	Hydrogen_Bond_Acceptor_Count	1
21817601	Isotope_Atom_Count	0
13707503	Rotatable_Bond_Count	2
53394791	Defined_Atom_Stereo_Count	0
5283321	Undefined_Bond_Stereo_Count	0
4385988	XLogP3-AA	1.5
21030991	XLogP3	0.3
90863152	Rotatable_Bond_Count	0
819	Hydrogen_Bond_Acceptor_Count	30
9543026	Exact_Mass	821.12577494
141140139	Covalent_Unit_Count	1
76922	Undefined_Bond_Stereo_Count	0
23686132	Defined_Atom_Stereo_Count	0
1056	Mono_Isotopic_Weight	82.053098200
23680486	Hydrogen_Bond_Acceptor_Count	5
57179768	Hydrogen_Bond_Donor_Count	1
73554303	Non-hydrogen_Atom_Count	13
11407637	Defined_Atom_Stereo_Count	0
631047	Undefined_Bond_Stereo_Count	1
3674	Undefined_Bond_Stereo_Count	1
5460700	Defined_Atom_Stereo_Count	0
57390217	Exact_Mass	513.27399000
132277694	Total_Formal_Charge	0
173058	Rotatable_Bond_Count	3
68489225	Hydrogen_Bond_Acceptor_Count	6
159603	Isotope_Atom_Count	0
170249	Undefined_Bond_Stereo_Count	0
11154544	Hydrogen_Bond_Donor_Count	2
21702770	Undefined_Bond_Stereo_Count	0
85294873	Defined_Bond_Stereo_Count	0
16723	Molecular_Weight	160.09
439846	Rotatable_Bond_Count	1
5899068	Tautomer_Count	1
135981362	Structure_Complexity	832
54686183	Undefined_Atom_Stereo_Count	0
93146	Hydrogen_Bond_Donor_Count	2
70690637	Non-hydrogen_Atom_Count	31
62878	Isotope_Atom_Count	0
7251	Isotope_Atom_Count	0
7296	Non-hydrogen_Atom_Count	6
64964	Hydrogen_Bond_Donor_Count	4
707	Non-hydrogen_Atom_Count	41
4674	Covalent_Unit_Count	1
139001	Rotatable_Bond_Count	0
123167244	Total_Formal_Charge	0
5324	Rotatable_Bond_Count	2
31193	Hydrogen_Bond_Donor_Count	0
71679077	Covalent_Unit_Count	1
634470	Rotatable_Bond_Count	4
522536	Hydrogen_Bond_Acceptor_Count	2
11497983	Mono_Isotopic_Weight	587.20574689
17948	Non-hydrogen_Atom_Count	18
1582	Molecular_Weight	553.28
12275548	Isotope_Atom_Count	0
54562506	TPSA	20.2
69095	Structure_Complexity	363
6766	Defined_Bond_Stereo_Count	0
9893	TPSA	26.3
68007244	Total_Formal_Charge	0
91418	Isotope_Atom_Count	0
5870	Undefined_Bond_Stereo_Count	0
5276520	Total_Formal_Charge	0
14200857	Undefined_Atom_Stereo_Count	0
7014	Undefined_Bond_Stereo_Count	0
8187	Tautomer_Count	2
124846	Total_Formal_Charge	0
86498	Non-hydrogen_Atom_Count	26
123481823	Covalent_Unit_Count	1
65576188	Hydrogen_Bond_Acceptor_Count	2
139062526	Molecular_Weight	308.22
58158	Undefined_Atom_Stereo_Count	1
12285893	Hydrogen_Bond_Acceptor_Count	6
46783864	Hydrogen_Bond_Acceptor_Count	4
68312	Total_Formal_Charge	0
91845299	Hydrogen_Bond_Donor_Count	8
10176229	Total_Formal_Charge	0
156614100	Non-hydrogen_Atom_Count	22
95400	Total_Formal_Charge	0
11228026	Hydrogen_Bond_Acceptor_Count	6
444302	TPSA	104
15811016	Structure_Complexity	53.3
6652	TPSA	17.1
201749	Mono_Isotopic_Weight	266.16304257
22635267	Molecular_Weight	360.65
23675737	Undefined_Bond_Stereo_Count	0
86446	TPSA	68.8
11412	Structure_Complexity	40
2724055	Undefined_Atom_Stereo_Count	0
23180086	Rotatable_Bond_Count	4
319771	Tautomer_Count	5
9160	Non-hydrogen_Atom_Count	21
14510	Undefined_Atom_Stereo_Count	0
18600476	Defined_Bond_Stereo_Count	0
78557	Covalent_Unit_Count	1
67805120	Covalent_Unit_Count	1
31368	Exact_Mass	67.042199164
18615	Structure_Complexity	62.7
11137890	Undefined_Atom_Stereo_Count	0
5284459	Defined_Atom_Stereo_Count	0
5289382	Defined_Atom_Stereo_Count	8
98771	Hydrogen_Bond_Acceptor_Count	4
16757547	Exact_Mass	562.15121
44629601	Isotope_Atom_Count	0
52716	Molecular_Weight	399.8
65388	Mono_Isotopic_Weight	171.08820061
134070	Molecular_Weight	416.6
25199807	Covalent_Unit_Count	3
4655	TPSA	32.3
23670774	Undefined_Bond_Stereo_Count	0
2719	Total_Formal_Charge	0
17531	Hydrogen_Bond_Acceptor_Count	7
73241	Defined_Bond_Stereo_Count	0
197740	Total_Formal_Charge	0
25058183	Molecular_Weight	371.3
13319222	Exact_Mass	103.099714038
15723	Structure_Complexity	268
85939	Defined_Bond_Stereo_Count	0
60975	Isotope_Atom_Count	0
517296	Molecular_Weight	960.8
86083878	Mono_Isotopic_Weight	94.078250319
16480	Structure_Complexity	146
47703	Isotope_Atom_Count	0
80518	Undefined_Atom_Stereo_Count	0
90943885	Exact_Mass	110.109550447
13619723	Hydrogen_Bond_Acceptor_Count	1
246598	Defined_Bond_Stereo_Count	0
85573568	Isotope_Atom_Count	0
57397762	Undefined_Atom_Stereo_Count	0
44480399	Undefined_Bond_Stereo_Count	0
20309174	Total_Formal_Charge	0
25078013	Total_Formal_Charge	0
49091	Structure_Complexity	203
21553255	Hydrogen_Bond_Acceptor_Count	1
20665999	Covalent_Unit_Count	1
25778	Structure_Complexity	314
58806257	Mono_Isotopic_Weight	114.104465066
12217	Defined_Atom_Stereo_Count	0
710762	Defined_Bond_Stereo_Count	0
4148881	Hydrogen_Bond_Acceptor_Count	1
4648	Rotatable_Bond_Count	10
165704207	Rotatable_Bond_Count	0
520667	Mono_Isotopic_Weight	100.052429494
132274082	Exact_Mass	1201.84136802
9850430	Rotatable_Bond_Count	8
4068533	Molecular_Weight	94.04
13393280	Covalent_Unit_Count	1
12962854	Rotatable_Bond_Count	4
3205	Molecular_Weight	478.6
62926	Molecular_Weight	350.4
11672491	Total_Formal_Charge	0
242973	TPSA	57.4
16064	Hydrogen_Bond_Acceptor_Count	3
9854073	Hydrogen_Bond_Donor_Count	3
8305	Covalent_Unit_Count	1
93176	Non-hydrogen_Atom_Count	8
23712865	Hydrogen_Bond_Donor_Count	0
164868049	TPSA	9.2
89103941	Undefined_Atom_Stereo_Count	2
688272	Total_Formal_Charge	0
11542775	Hydrogen_Bond_Acceptor_Count	2
441975	Tautomer_Count	1
14453671	Covalent_Unit_Count	1
101988841	Non-hydrogen_Atom_Count	1
4386	Rotatable_Bond_Count	3
66932	Rotatable_Bond_Count	19
20592404	Isotope_Atom_Count	0
14597941	Hydrogen_Bond_Acceptor_Count	2
24808	Defined_Atom_Stereo_Count	0
63002	Molecular_Weight	538.1
513917	Hydrogen_Bond_Acceptor_Count	8
6857686	Undefined_Bond_Stereo_Count	0
19028568	Defined_Atom_Stereo_Count	0
14852477	Hydrogen_Bond_Acceptor_Count	2
91945062	Undefined_Atom_Stereo_Count	3
126624267	Defined_Atom_Stereo_Count	1
149528181	Hydrogen_Bond_Acceptor_Count	2
97536	Defined_Atom_Stereo_Count	2
998021	Hydrogen_Bond_Acceptor_Count	6
65055	Defined_Atom_Stereo_Count	0
90777230	Molecular_Weight	114.10
3087722	Isotope_Atom_Count	0
86160	Mono_Isotopic_Weight	297.266779359
55290736	Undefined_Bond_Stereo_Count	0
163090690	Exact_Mass	842.51400504
53627566	Hydrogen_Bond_Donor_Count	0
129864962	Exact_Mass	322.11398438
17931	Structure_Complexity	403
86811213	Exact_Mass	223.10199966
17531	Molecular_Weight	345.4
3037234	Total_Formal_Charge	0
6323491	Hydrogen_Bond_Acceptor_Count	6
52941568	Hydrogen_Bond_Donor_Count	0
53778	Exact_Mass	365.1636826
2741	XLogP3	1.6
643798	Hydrogen_Bond_Donor_Count	2
2697	Non-hydrogen_Atom_Count	37
6419942	Tautomer_Count	1
70696865	Non-hydrogen_Atom_Count	31
4735	Undefined_Atom_Stereo_Count	0
136603687	Isotope_Atom_Count	0
15413224	Non-hydrogen_Atom_Count	8
106228050	Defined_Atom_Stereo_Count	0
21713016	Structure_Complexity	70.1
5359371	Undefined_Atom_Stereo_Count	0
226108	Exact_Mass	116.058577502
139692455	Mono_Isotopic_Weight	73.052763847
17787271	Undefined_Bond_Stereo_Count	0
133057415	Undefined_Bond_Stereo_Count	0
72614909	Mono_Isotopic_Weight	96.068748264
5363097	Total_Formal_Charge	0
5281609	Hydrogen_Bond_Acceptor_Count	10
73438935	Defined_Atom_Stereo_Count	11
9424	Rotatable_Bond_Count	4
192711	Defined_Atom_Stereo_Count	0
66587032	Total_Formal_Charge	0
59059060	Defined_Atom_Stereo_Count	0
16129670	Rotatable_Bond_Count	132
9841	Undefined_Bond_Stereo_Count	0
12412266	Molecular_Weight	100.12
4593	TPSA	70.2
136791	Covalent_Unit_Count	1
12675	Exact_Mass	287.9808379
134688474	Defined_Bond_Stereo_Count	0
90184753	Defined_Bond_Stereo_Count	0
152413	Tautomer_Count	27
23675746	Undefined_Atom_Stereo_Count	3
145705672	Exact_Mass	490.36582469
61120	Total_Formal_Charge	0
7904	Structure_Complexity	65.9
680036	Exact_Mass	332.17360725
44404640	Molecular_Weight	651.9
101375997	Defined_Atom_Stereo_Count	31
12551755	Covalent_Unit_Count	1
24822135	Undefined_Bond_Stereo_Count	0
20684416	Defined_Bond_Stereo_Count	0
19754954	Mono_Isotopic_Weight	100.100048391
53737519	Total_Formal_Charge	0
84571	Non-hydrogen_Atom_Count	23
1738	Rotatable_Bond_Count	3
71776101	Exact_Mass	345.966361
1474141	Hydrogen_Bond_Acceptor_Count	5
69141	Undefined_Atom_Stereo_Count	0
24781	Total_Formal_Charge	0
97443	Undefined_Atom_Stereo_Count	0
245	Hydrogen_Bond_Acceptor_Count	11
418587	Mono_Isotopic_Weight	677.30474055
5476	Total_Formal_Charge	1
9908880	Undefined_Bond_Stereo_Count	0
5779	Total_Formal_Charge	0
121231162	Defined_Atom_Stereo_Count	3
14875988	Defined_Atom_Stereo_Count	0
49778730	Defined_Bond_Stereo_Count	0
71587119	Structure_Complexity	165
71396956	Covalent_Unit_Count	1
90730816	Covalent_Unit_Count	1
584547	Exact_Mass	416.21988874
540877	Isotope_Atom_Count	0
46193082	Hydrogen_Bond_Acceptor_Count	0
37134563	Defined_Bond_Stereo_Count	0
16738693	Total_Formal_Charge	0
42665	Non-hydrogen_Atom_Count	12
2752445	Isotope_Atom_Count	0
7140	Hydrogen_Bond_Donor_Count	1
17050	Molecular_Weight	171.24
22475	Mono_Isotopic_Weight	360.1582628
12246933	Defined_Atom_Stereo_Count	0
70694239	Rotatable_Bond_Count	4
135403802	TPSA	107
1101	Molecular_Weight	180.16
60974	Undefined_Bond_Stereo_Count	1
557356	Non-hydrogen_Atom_Count	11
27058	Rotatable_Bond_Count	14
25945	Isotope_Atom_Count	0
9948102	Hydrogen_Bond_Acceptor_Count	2
83884	Defined_Atom_Stereo_Count	5
17865	TPSA	9.2
108054	Hydrogen_Bond_Acceptor_Count	1
5003	Molecular_Weight	541.5
71778	Defined_Atom_Stereo_Count	0
8063338	Tautomer_Count	1
21564107	Non-hydrogen_Atom_Count	8
5282492	XLogP3	3.9
95125	Mono_Isotopic_Weight	284.11609238
627774	Hydrogen_Bond_Acceptor_Count	1
137699683	Non-hydrogen_Atom_Count	47
10159630	Covalent_Unit_Count	1
25184868	Molecular_Weight	154.25
136451	Mono_Isotopic_Weight	159.125928785
133556498	Mono_Isotopic_Weight	620.23163518
11500877	Covalent_Unit_Count	1
123187306	TPSA	0
6538	Molecular_Weight	430.9
70333	Undefined_Atom_Stereo_Count	0
72775170	Rotatable_Bond_Count	1
4595	Rotatable_Bond_Count	2
3772977	Covalent_Unit_Count	1
135431094	Hydrogen_Bond_Donor_Count	5
705472	Non-hydrogen_Atom_Count	24
54715668	Mono_Isotopic_Weight	188.94254
33786	TPSA	131
129629061	Hydrogen_Bond_Donor_Count	0
7124	Isotope_Atom_Count	0
12295520	Defined_Bond_Stereo_Count	0
66558664	Non-hydrogen_Atom_Count	42
626732	Hydrogen_Bond_Acceptor_Count	3
11116015	Undefined_Atom_Stereo_Count	2
201538	Rotatable_Bond_Count	15
589863	Molecular_Weight	215.10
17168	Covalent_Unit_Count	1
13391	Structure_Complexity	135
2303651	Undefined_Bond_Stereo_Count	0
626732	Defined_Atom_Stereo_Count	0
53978983	Exact_Mass	114.068079557
11179267	Undefined_Atom_Stereo_Count	1
54326118	Rotatable_Bond_Count	2
49865703	Hydrogen_Bond_Donor_Count	2
75494	Exact_Mass	294.01643791
16219567	Non-hydrogen_Atom_Count	23
87112	TPSA	43.4
139142290	Molecular_Weight	925.2
48362	Covalent_Unit_Count	1
3049771	Hydrogen_Bond_Acceptor_Count	4
694652	Molecular_Weight	329.4
66263	Hydrogen_Bond_Donor_Count	1
143196	TPSA	44.7
968625	Total_Formal_Charge	0
704328	Exact_Mass	340.16093457
77531	Defined_Atom_Stereo_Count	0
637927	Covalent_Unit_Count	1
46204763	Undefined_Atom_Stereo_Count	0
109094	Hydrogen_Bond_Acceptor_Count	3
40784491	Undefined_Atom_Stereo_Count	0
2724372	Hydrogen_Bond_Donor_Count	1
5288453	Hydrogen_Bond_Acceptor_Count	12
6435782	Rotatable_Bond_Count	7
22833295	Undefined_Bond_Stereo_Count	0
20081031	Hydrogen_Bond_Acceptor_Count	5
90915688	Defined_Atom_Stereo_Count	0
52943302	Mono_Isotopic_Weight	399.13944780
6918558	Defined_Bond_Stereo_Count	0
19989408	Undefined_Bond_Stereo_Count	0
751	Rotatable_Bond_Count	2
53956489	XLogP3-AA	0.3
14322	Hydrogen_Bond_Donor_Count	1
541660	Covalent_Unit_Count	1
32068	Undefined_Bond_Stereo_Count	0
65590	Hydrogen_Bond_Donor_Count	0
66934489	Undefined_Atom_Stereo_Count	2
16659838	Defined_Atom_Stereo_Count	1
25021359	Structure_Complexity	233
12431565	Undefined_Atom_Stereo_Count	1
5311167	Defined_Bond_Stereo_Count	0
69260851	Structure_Complexity	571
4916	Undefined_Bond_Stereo_Count	0
18343309	Hydrogen_Bond_Acceptor_Count	4
10953456	Defined_Atom_Stereo_Count	0
8793	Structure_Complexity	171
9935274	Structure_Complexity	624
5459784	Defined_Atom_Stereo_Count	2
50894	XLogP3	0.9
19540	TPSA	0
19284	XLogP3	8
13052632	Hydrogen_Bond_Donor_Count	2
6866	TPSA	12.9
5362712	Tautomer_Count	1
14170926	Hydrogen_Bond_Acceptor_Count	2
83465	Defined_Bond_Stereo_Count	0
90720950	Molecular_Weight	114.08
38769	TPSA	50.6
12591596	Defined_Bond_Stereo_Count	0
12136363	Molecular_Weight	115.13
23677058	Hydrogen_Bond_Donor_Count	1
55281352	Undefined_Bond_Stereo_Count	0
129	Defined_Bond_Stereo_Count	0
46591	Exact_Mass	215.175952981
19094	Isotope_Atom_Count	0
9970749	Total_Formal_Charge	0
9799979	Exact_Mass	379.22597718
42611257	XLogP3-AA	5
12502857	TPSA	23.8
90931176	Defined_Atom_Stereo_Count	0
3371	Hydrogen_Bond_Donor_Count	2
16051495	Defined_Bond_Stereo_Count	0
317883	Defined_Atom_Stereo_Count	0
158800	Exact_Mass	785.45615581
118371793	Structure_Complexity	171
23683747	TPSA	87.2
45120722	Defined_Bond_Stereo_Count	0
154826	Exact_Mass	339.16708015
941651	Covalent_Unit_Count	1
13947131	Hydrogen_Bond_Donor_Count	2
3416433	Structure_Complexity	127
9785	Hydrogen_Bond_Acceptor_Count	4
5791	Undefined_Atom_Stereo_Count	2
6953	Rotatable_Bond_Count	0
642669	Total_Formal_Charge	0
19747	Mono_Isotopic_Weight	391.1714350
2845	Undefined_Atom_Stereo_Count	5
2086	Hydrogen_Bond_Acceptor_Count	4
6529	Defined_Atom_Stereo_Count	0
1004	Hydrogen_Bond_Acceptor_Count	4
5352771	Exact_Mass	292.240230259
440005	Defined_Atom_Stereo_Count	1
71301229	Undefined_Bond_Stereo_Count	0
6604914	Undefined_Bond_Stereo_Count	0
9327	Undefined_Atom_Stereo_Count	0
27775	Covalent_Unit_Count	1
7987	Undefined_Bond_Stereo_Count	0
70691405	Defined_Bond_Stereo_Count	0
3033943	Isotope_Atom_Count	0
2734117	Structure_Complexity	281
71311204	Undefined_Bond_Stereo_Count	0
22022770	Undefined_Bond_Stereo_Count	0
49868036	Non-hydrogen_Atom_Count	93
36822	Hydrogen_Bond_Acceptor_Count	2
5003096	Exact_Mass	157.01974964
25142970	Undefined_Atom_Stereo_Count	0
74062	Defined_Atom_Stereo_Count	0
11199915	Mono_Isotopic_Weight	382.18925731
45040320	Covalent_Unit_Count	1
14816327	Undefined_Bond_Stereo_Count	0
44590515	Mono_Isotopic_Weight	500.19587943
281459	Hydrogen_Bond_Acceptor_Count	2
6082	Undefined_Bond_Stereo_Count	0
91486	Mono_Isotopic_Weight	301.298079487
9930049	TPSA	51.2
130025741	Rotatable_Bond_Count	2
23932	TPSA	0
159736	Total_Formal_Charge	0
5667	Isotope_Atom_Count	0
52945780	Undefined_Bond_Stereo_Count	0
5742832	Covalent_Unit_Count	1
7023411	Structure_Complexity	101
2734161	Hydrogen_Bond_Acceptor_Count	1
2058	Isotope_Atom_Count	0
34515	Molecular_Weight	332.4
5355219	TPSA	53.1
24759	Hydrogen_Bond_Donor_Count	14
4912	TPSA	91.1
5327065	Total_Formal_Charge	0
88391334	XLogP3-AA	1
17235	Defined_Atom_Stereo_Count	0
5368076	Mono_Isotopic_Weight	170.130679813
155087254	Rotatable_Bond_Count	15
59050126	Structure_Complexity	74.9
46937007	TPSA	203
92374	Undefined_Bond_Stereo_Count	0
6053	Structure_Complexity	236
10844548	Non-hydrogen_Atom_Count	8
625239	Molecular_Weight	285.3
642110	Hydrogen_Bond_Acceptor_Count	2
32592	Rotatable_Bond_Count	7
25023836	Isotope_Atom_Count	0
133017	Isotope_Atom_Count	0
117120	Isotope_Atom_Count	0
23617864	Hydrogen_Bond_Acceptor_Count	2
28803	Defined_Atom_Stereo_Count	0
8217	Non-hydrogen_Atom_Count	18
107327	Non-hydrogen_Atom_Count	16
5310987	Defined_Bond_Stereo_Count	1
3683	Structure_Complexity	602
53705537	Defined_Bond_Stereo_Count	0
149086	Structure_Complexity	1450
81415695	Mono_Isotopic_Weight	112.088815002
54710618	Undefined_Bond_Stereo_Count	0
153807932	Defined_Bond_Stereo_Count	0
14195	Isotope_Atom_Count	0
66448	Isotope_Atom_Count	0
344644	Isotope_Atom_Count	0
88709052	Undefined_Atom_Stereo_Count	2
12278548	Defined_Bond_Stereo_Count	0
46204457	Undefined_Bond_Stereo_Count	0
45480375	Covalent_Unit_Count	1
53143	Hydrogen_Bond_Donor_Count	2
68191	TPSA	0
2723610	Mono_Isotopic_Weight	342.11621151
18980946	Exact_Mass	113.084063974
72474	Structure_Complexity	636
1711921	XLogP3-AA	0.4
13480954	Rotatable_Bond_Count	2
69949	TPSA	34.1
926	Exact_Mass	664.11694759
17778639	Defined_Bond_Stereo_Count	0
556722	Defined_Atom_Stereo_Count	0
474523	Total_Formal_Charge	0
91089431	Total_Formal_Charge	0
141959525	Structure_Complexity	86.2
76583	Tautomer_Count	1
24949552	Undefined_Bond_Stereo_Count	0
179336	Hydrogen_Bond_Acceptor_Count	5
13848132	Hydrogen_Bond_Acceptor_Count	3
2281	TPSA	174
133967	Mono_Isotopic_Weight	290.20459364
9921294	Mono_Isotopic_Weight	252.1029409
4019	Non-hydrogen_Atom_Count	27
135565471	Hydrogen_Bond_Acceptor_Count	15
6401	Hydrogen_Bond_Donor_Count	0
53264	Undefined_Atom_Stereo_Count	0
10558611	Molecular_Weight	120.11
10558	Undefined_Atom_Stereo_Count	0
524217	TPSA	9.2
69393	Molecular_Weight	70.09
237859	Covalent_Unit_Count	1
86122	Tautomer_Count	2
6926378	Exact_Mass	168.102453689
13485	Undefined_Atom_Stereo_Count	0
111206	Structure_Complexity	55
204735	Structure_Complexity	103
154701841	Rotatable_Bond_Count	5
23667619	Undefined_Atom_Stereo_Count	0
54682463	Covalent_Unit_Count	1
24721103	Isotope_Atom_Count	0
6918663	Mono_Isotopic_Weight	401.0634615
170362	Rotatable_Bond_Count	3
16040270	Exact_Mass	194.134502709
126997316	Defined_Bond_Stereo_Count	0
107697	Hydrogen_Bond_Donor_Count	2
3735	XLogP3-AA	3.9
7403	XLogP3	3.9
15569631	Undefined_Atom_Stereo_Count	0
138402871	Non-hydrogen_Atom_Count	58
4659387	Exact_Mass	444.15821500
138403272	Defined_Atom_Stereo_Count	18
21875354	Exact_Mass	159.102119336
14585707	Exact_Mass	114.068079557
28864	Mono_Isotopic_Weight	338.21066147
12105	Defined_Bond_Stereo_Count	0
9802545	Hydrogen_Bond_Acceptor_Count	7
54725318	Hydrogen_Bond_Donor_Count	3
11474	Tautomer_Count	1
16052015	Undefined_Atom_Stereo_Count	2
534688	Undefined_Bond_Stereo_Count	0
33377	Hydrogen_Bond_Acceptor_Count	2
12123876	TPSA	0
71448984	Undefined_Bond_Stereo_Count	0
96160	Rotatable_Bond_Count	1
101016656	Covalent_Unit_Count	5
14791281	Non-hydrogen_Atom_Count	13
4912932	Covalent_Unit_Count	1
9837656	Undefined_Bond_Stereo_Count	0
54144657	Non-hydrogen_Atom_Count	7
70684819	Undefined_Bond_Stereo_Count	0
146364	Defined_Atom_Stereo_Count	7
974	Rotatable_Bond_Count	1
638116	Non-hydrogen_Atom_Count	7
73433376	Non-hydrogen_Atom_Count	7
129297096	Rotatable_Bond_Count	1
86088629	Hydrogen_Bond_Donor_Count	0
15940197	Hydrogen_Bond_Donor_Count	5
90087	Molecular_Weight	225.5
25243830	Covalent_Unit_Count	1
9869218	Mono_Isotopic_Weight	467.1247985
54150876	TPSA	64.6
18314506	Non-hydrogen_Atom_Count	7
129694674	Undefined_Atom_Stereo_Count	0
54051670	Undefined_Atom_Stereo_Count	0
17236	Rotatable_Bond_Count	4
21414	Undefined_Bond_Stereo_Count	0
31361	XLogP3-AA	1.4
938021	Defined_Atom_Stereo_Count	1
91100506	Structure_Complexity	75.3
66053	Undefined_Atom_Stereo_Count	0
6917939	Hydrogen_Bond_Acceptor_Count	5
5360	Undefined_Bond_Stereo_Count	0
633526	Isotope_Atom_Count	0
342681	XLogP3-AA	1.3
20514195	Non-hydrogen_Atom_Count	7
31657	Non-hydrogen_Atom_Count	14
12415356	TPSA	45.4
57716	Defined_Bond_Stereo_Count	0
618542	Total_Formal_Charge	0
357	Exact_Mass	217.903761
19360868	Molecular_Weight	120.15
20395	XLogP3-AA	4.3
60809	TPSA	66.5
5963	Undefined_Atom_Stereo_Count	0
32838	Structure_Complexity	18.8
61056	XLogP3-AA	4.3
5462507	Molecular_Weight	327.4
44480399	Defined_Atom_Stereo_Count	0
22352755	Isotope_Atom_Count	0
45116605	Mono_Isotopic_Weight	100.100048391
456058	Defined_Atom_Stereo_Count	7
9901	Isotope_Atom_Count	0
4361	Exact_Mass	327.256214676
11717831	Hydrogen_Bond_Donor_Count	2
529287	Defined_Bond_Stereo_Count	0
4513	Undefined_Bond_Stereo_Count	1
4964	Rotatable_Bond_Count	2
38085	Molecular_Weight	313.15
13133780	Undefined_Atom_Stereo_Count	1
6354	Exact_Mass	44.026214747
664419	Undefined_Atom_Stereo_Count	0
19499	Exact_Mass	86.036779430
53436345	Molecular_Weight	98.10
16437056	Mono_Isotopic_Weight	113.058911855
8073	Covalent_Unit_Count	1
5047019	Exact_Mass	167.03443370
81569	Rotatable_Bond_Count	3
13711	Hydrogen_Bond_Acceptor_Count	4
80786	Structure_Complexity	273
3681	Hydrogen_Bond_Donor_Count	2
10718	Hydrogen_Bond_Donor_Count	3
7715	Isotope_Atom_Count	0
13485	Defined_Atom_Stereo_Count	0
9870652	Hydrogen_Bond_Acceptor_Count	6
57369411	Structure_Complexity	1370
11309477	Exact_Mass	98.073164938
53762327	Non-hydrogen_Atom_Count	9
54	Isotope_Atom_Count	0
12473807	Non-hydrogen_Atom_Count	7
13245088	Non-hydrogen_Atom_Count	8
21324831	Defined_Atom_Stereo_Count	0
444005	Rotatable_Bond_Count	14
66252	Undefined_Bond_Stereo_Count	0
154091255	Undefined_Bond_Stereo_Count	0
24465	Mono_Isotopic_Weight	247.930592
20722796	Undefined_Atom_Stereo_Count	0
68802	Covalent_Unit_Count	1
53393621	Molecular_Weight	364.9
33474	XLogP3-AA	1.8
7558	XLogP3	3.5
6623	Exact_Mass	228.115029749
723	Structure_Complexity	119
35331	Structure_Complexity	300
146159220	Hydrogen_Bond_Acceptor_Count	20
29455	Isotope_Atom_Count	0
54421	Mono_Isotopic_Weight	366.15795719
13410810	XLogP3-AA	0.5
66082	Tautomer_Count	3
7225	Isotope_Atom_Count	0
96522	Rotatable_Bond_Count	1
52945793	Hydrogen_Bond_Donor_Count	1
5193	Mono_Isotopic_Weight	238.13174244
10197646	Undefined_Bond_Stereo_Count	0
53316417	Hydrogen_Bond_Acceptor_Count	11
131704172	Isotope_Atom_Count	0
71464488	Undefined_Bond_Stereo_Count	0
25169382	Rotatable_Bond_Count	3
21685	TPSA	20.2
57545	Isotope_Atom_Count	0
45488110	Defined_Bond_Stereo_Count	0
11147714	Undefined_Atom_Stereo_Count	0
11281445	Mono_Isotopic_Weight	415.17433553
12500939	Structure_Complexity	80.2
136323	Hydrogen_Bond_Acceptor_Count	0
5487426	Undefined_Atom_Stereo_Count	0
72286622	Rotatable_Bond_Count	3
937	Molecular_Weight	122.10
25142042	Undefined_Atom_Stereo_Count	0
122517441	Covalent_Unit_Count	1
137347968	Isotope_Atom_Count	0
311434	Hydrogen_Bond_Donor_Count	2
12252	Structure_Complexity	47.2
67522784	Non-hydrogen_Atom_Count	5
67669	Hydrogen_Bond_Donor_Count	0
135422442	Total_Formal_Charge	0
36605	Covalent_Unit_Count	2
97252	Rotatable_Bond_Count	0
15559706	Mono_Isotopic_Weight	385.816009
15266968	Defined_Atom_Stereo_Count	0
27020	XLogP3-AA	6.2
71720884	Rotatable_Bond_Count	4
129229305	XLogP3-AA	1.7
87990	Isotope_Atom_Count	0
25144319	Defined_Atom_Stereo_Count	0
133057415	Defined_Atom_Stereo_Count	0
115260	Total_Formal_Charge	0
11528340	Molecular_Weight	118.13
8987	Undefined_Bond_Stereo_Count	0
15950520	Undefined_Bond_Stereo_Count	0
54175107	XLogP3-AA	1
5270576	Molecular_Weight	260.22
161929	Total_Formal_Charge	0
19090	Rotatable_Bond_Count	1
10866248	Molecular_Weight	18.055
22061626	Covalent_Unit_Count	1
57147295	Exact_Mass	100.052429494
11067463	Structure_Complexity	421
16329	Undefined_Bond_Stereo_Count	0
84647662	TPSA	69.1
6445008	Defined_Bond_Stereo_Count	1
70291	Non-hydrogen_Atom_Count	11
2921148	Isotope_Atom_Count	0
15071968	Exact_Mass	100.052429494
3876660	TPSA	40
85983	Exact_Mass	218.05790880
6604200	Non-hydrogen_Atom_Count	17
23165199	Defined_Bond_Stereo_Count	0
60069415	Non-hydrogen_Atom_Count	8
20056440	Structure_Complexity	702
16038399	Molecular_Weight	373.4
24874	TPSA	26
9816981	Exact_Mass	274.09872823
439217	Rotatable_Bond_Count	3
67486	Mono_Isotopic_Weight	168.068748264
320055	Non-hydrogen_Atom_Count	8
16270	Rotatable_Bond_Count	2
78431	Exact_Mass	239.09799996
22833295	Undefined_Atom_Stereo_Count	0
98650	Tautomer_Count	1
7017	Total_Formal_Charge	0
155042170	Covalent_Unit_Count	1
135071	Defined_Bond_Stereo_Count	0
23552407	Hydrogen_Bond_Acceptor_Count	2
21798491	Undefined_Atom_Stereo_Count	2
39676	Structure_Complexity	391
11040	Mono_Isotopic_Weight	104.047344113
10220511	Rotatable_Bond_Count	0
31230	Undefined_Bond_Stereo_Count	0
144567671	Exact_Mass	108.093900383
6710664	Total_Formal_Charge	0
537445	Defined_Atom_Stereo_Count	0
539121	Molecular_Weight	228.33
53708930	Structure_Complexity	87.7
24845095	Mono_Isotopic_Weight	337.1193192
493082	Hydrogen_Bond_Donor_Count	0
57391720	TPSA	115
12198	Tautomer_Count	1
34800	TPSA	25.8
29971	Structure_Complexity	62.7
5927	TPSA	183
98148768	Exact_Mass	342.11621151
23681223	Isotope_Atom_Count	0
3267139	Rotatable_Bond_Count	6
314787	Undefined_Atom_Stereo_Count	0
121710	Non-hydrogen_Atom_Count	8
15130831	Mono_Isotopic_Weight	356.1422188
11213	Isotope_Atom_Count	0
11974440	Undefined_Bond_Stereo_Count	0
84878	Undefined_Bond_Stereo_Count	0
119097769	Non-hydrogen_Atom_Count	8
702695	Hydrogen_Bond_Acceptor_Count	5
4084	Hydrogen_Bond_Acceptor_Count	6
642623	Covalent_Unit_Count	1
222548	Covalent_Unit_Count	1
11231942	Hydrogen_Bond_Acceptor_Count	2
158882	XLogP3-AA	6.1
14336	Undefined_Atom_Stereo_Count	0
17801140	Undefined_Bond_Stereo_Count	0
891	Undefined_Atom_Stereo_Count	0
688356	Defined_Atom_Stereo_Count	0
164930	TPSA	17.1
4475481	Defined_Bond_Stereo_Count	0
447202	Defined_Atom_Stereo_Count	7
101191397	Hydrogen_Bond_Acceptor_Count	2
413540	Hydrogen_Bond_Donor_Count	0
6326947	Undefined_Bond_Stereo_Count	0
54258195	Molecular_Weight	105.14
10814237	Undefined_Atom_Stereo_Count	0
164179927	TPSA	95.7
66577116	Hydrogen_Bond_Donor_Count	12
11346	Non-hydrogen_Atom_Count	12
11561779	Defined_Atom_Stereo_Count	0
66673773	TPSA	41.5
92758	Isotope_Atom_Count	0
42201	Hydrogen_Bond_Acceptor_Count	4
100886	Exact_Mass	114.104465066
79161	Hydrogen_Bond_Acceptor_Count	3
123979022	Rotatable_Bond_Count	0
25184868	Exact_Mass	154.135765193
10180799	Non-hydrogen_Atom_Count	30
25211988	Rotatable_Bond_Count	4
90297	Defined_Bond_Stereo_Count	0
22037858	Non-hydrogen_Atom_Count	6
74087	Non-hydrogen_Atom_Count	6
413540	Defined_Bond_Stereo_Count	0
23151396	Molecular_Weight	100.08
1031	Molecular_Weight	60.10
120741	Hydrogen_Bond_Donor_Count	1
19986922	Hydrogen_Bond_Donor_Count	2
129794341	XLogP3-AA	0.1
71072050	Structure_Complexity	644
5373493	Covalent_Unit_Count	1
24875372	TPSA	99.8
89990643	TPSA	47.3
96490	Defined_Bond_Stereo_Count	0
85325038	Isotope_Atom_Count	0
21895916	Defined_Atom_Stereo_Count	0
441401	Defined_Bond_Stereo_Count	0
8970	Total_Formal_Charge	0
18628727	Undefined_Bond_Stereo_Count	0
70684298	Undefined_Bond_Stereo_Count	0
3033825	Mono_Isotopic_Weight	280.10725903
25608	Non-hydrogen_Atom_Count	12
1550213	Isotope_Atom_Count	0
66110	Hydrogen_Bond_Donor_Count	1
21962760	Structure_Complexity	57.7
141248885	Hydrogen_Bond_Acceptor_Count	2
57547	Tautomer_Count	1
53810451	Hydrogen_Bond_Donor_Count	0
2999	Hydrogen_Bond_Acceptor_Count	2
71210615	Structure_Complexity	382
16760627	Molecular_Weight	570.6
54169147	Undefined_Atom_Stereo_Count	0
8969	Defined_Bond_Stereo_Count	0
439377	Exact_Mass	161.06880783
11073538	Defined_Bond_Stereo_Count	0
6819	Hydrogen_Bond_Acceptor_Count	6
64148	Mono_Isotopic_Weight	239.99869710
451156	XLogP3	3.9
45086592	TPSA	83.6
65706	Hydrogen_Bond_Donor_Count	1
5215	Hydrogen_Bond_Donor_Count	2
31275	Exact_Mass	88.052429494
8099	Rotatable_Bond_Count	9
21187507	Undefined_Atom_Stereo_Count	0
3392178	Hydrogen_Bond_Acceptor_Count	1
45139106	Undefined_Bond_Stereo_Count	0
74242	Rotatable_Bond_Count	1
45356876	Hydrogen_Bond_Acceptor_Count	8
9906	Non-hydrogen_Atom_Count	15
5284544	Exact_Mass	515.22407968
12434155	Exact_Mass	112.052429494
154103	Total_Formal_Charge	0
72732	Molecular_Weight	242.27
86461	Undefined_Atom_Stereo_Count	0
135540987	Non-hydrogen_Atom_Count	29
10493	TPSA	132
6999801	Covalent_Unit_Count	1
56841013	Mono_Isotopic_Weight	548.03898
92374	Undefined_Atom_Stereo_Count	0
21253562	Tautomer_Count	1
44717198	Tautomer_Count	1
5488186	Non-hydrogen_Atom_Count	17
17129	Hydrogen_Bond_Donor_Count	0
139670117	Total_Formal_Charge	0
9920327	Isotope_Atom_Count	0
166473353	Structure_Complexity	94.7
69333884	Mono_Isotopic_Weight	107.048347172
55288479	Undefined_Atom_Stereo_Count	0
24818	Mono_Isotopic_Weight	267.75064
71357579	Undefined_Atom_Stereo_Count	0
5287620	Structure_Complexity	388
21356643	Non-hydrogen_Atom_Count	32
17142	Exact_Mass	297.09608521
54708299	Hydrogen_Bond_Donor_Count	2
6992032	Tautomer_Count	3
40666	Hydrogen_Bond_Donor_Count	1
6450800	Hydrogen_Bond_Donor_Count	1
24892842	TPSA	49.8
16329	Defined_Atom_Stereo_Count	0
4783	Rotatable_Bond_Count	10
96522	Hydrogen_Bond_Acceptor_Count	3
98150	Undefined_Atom_Stereo_Count	1
1088	Molecular_Weight	89.09
7474	TPSA	45.8
2209	Exact_Mass	162.02854067
11138428	Structure_Complexity	151
4807	Undefined_Atom_Stereo_Count	0
62165	Mono_Isotopic_Weight	324.302830514
54492709	Molecular_Weight	110.11
12275055	Defined_Atom_Stereo_Count	0
4921	Molecular_Weight	844.4
20782632	Mono_Isotopic_Weight	114.104465066
70837	Molecular_Weight	230.22
6087	Structure_Complexity	600
23063800	Molecular_Weight	111.15
599239	Hydrogen_Bond_Donor_Count	0
199402	Non-hydrogen_Atom_Count	85
66708	XLogP3-AA	2
61196	Total_Formal_Charge	0
642163	Defined_Atom_Stereo_Count	1
56993535	Hydrogen_Bond_Acceptor_Count	1
274074	Molecular_Weight	362.5
59310309	Covalent_Unit_Count	1
8365	Rotatable_Bond_Count	3
12654348	Mono_Isotopic_Weight	113.058911855
87386545	Hydrogen_Bond_Donor_Count	2
71459117	Defined_Atom_Stereo_Count	0
67948733	Defined_Atom_Stereo_Count	0
56843898	Molecular_Weight	418.3
54169147	Defined_Atom_Stereo_Count	0
20134527	Hydrogen_Bond_Donor_Count	0
23675349	Mono_Isotopic_Weight	264.09084324
9065	Molecular_Weight	187.66
88974141	Total_Formal_Charge	0
69437	Isotope_Atom_Count	0
57057991	TPSA	43.4
16070030	Hydrogen_Bond_Acceptor_Count	0
27461	Rotatable_Bond_Count	7
167605	Non-hydrogen_Atom_Count	6
84614	Molecular_Weight	269.29
23695982	Hydrogen_Bond_Donor_Count	1
10866310	Molecular_Weight	116.20
159952	Structure_Complexity	196
10196758	Covalent_Unit_Count	1
135509116	Isotope_Atom_Count	0
154574010	Non-hydrogen_Atom_Count	17
50516	Non-hydrogen_Atom_Count	35
90041889	Rotatable_Bond_Count	1
657251	Rotatable_Bond_Count	4
712421	Isotope_Atom_Count	0
663894	Structure_Complexity	667
92374	Defined_Atom_Stereo_Count	0
105054	Undefined_Bond_Stereo_Count	0
3698	TPSA	68
400185	Hydrogen_Bond_Acceptor_Count	5
12217061	Exact_Mass	97.063997236
69341027	Hydrogen_Bond_Donor_Count	2
11182588	Defined_Bond_Stereo_Count	0
5460188	Exact_Mass	304.276615768
65647	Hydrogen_Bond_Acceptor_Count	4
446925	Exact_Mass	536.438201786
129651751	Defined_Atom_Stereo_Count	0
25386	Exact_Mass	317.1546421
54575456	TPSA	167
111036	Tautomer_Count	1
123769339	Hydrogen_Bond_Acceptor_Count	2
115374	Non-hydrogen_Atom_Count	28
444041	Structure_Complexity	1480
89518758	Exact_Mass	342.11621151
96873	Rotatable_Bond_Count	4
550642	Total_Formal_Charge	0
58969552	Covalent_Unit_Count	1
9958230	XLogP3-AA	2.4
86277	Molecular_Weight	304.73
91170688	Total_Formal_Charge	0
5324585	Total_Formal_Charge	0
15926139	Undefined_Atom_Stereo_Count	0
446873	Rotatable_Bond_Count	3
176407	Undefined_Atom_Stereo_Count	0
4622	Undefined_Bond_Stereo_Count	0
19027815	Mono_Isotopic_Weight	107.073499291
70299	Molecular_Weight	172.56
6918013	Undefined_Bond_Stereo_Count	0
76848959	Defined_Atom_Stereo_Count	1
809622	TPSA	82.9
119259	Undefined_Bond_Stereo_Count	0
6501	Defined_Atom_Stereo_Count	0
11511	Non-hydrogen_Atom_Count	8
87979966	Hydrogen_Bond_Acceptor_Count	3
48548	XLogP3	2.3
104845	Exact_Mass	332.23514488
70269	Molecular_Weight	127.10
169536	Undefined_Bond_Stereo_Count	0
11388	Hydrogen_Bond_Donor_Count	1
669019	Total_Formal_Charge	0
414243	Defined_Atom_Stereo_Count	0
6992027	Hydrogen_Bond_Acceptor_Count	7
66261	Covalent_Unit_Count	1
19428628	Molecular_Weight	110.11
46220502	Hydrogen_Bond_Donor_Count	1
18617909	Undefined_Bond_Stereo_Count	0
6405	Molecular_Weight	88.15
9907842	Tautomer_Count	1
55288363	Hydrogen_Bond_Donor_Count	1
25246317	Defined_Atom_Stereo_Count	12
1464	Covalent_Unit_Count	1
166556	Hydrogen_Bond_Donor_Count	2
10486806	Undefined_Atom_Stereo_Count	1
37366	TPSA	66.4
199402	Exact_Mass	1202.74992724
13359	TPSA	53.3
57391458	Defined_Bond_Stereo_Count	0
67668	Structure_Complexity	231
59968312	Hydrogen_Bond_Donor_Count	0
54466147	Defined_Atom_Stereo_Count	0
556684	Structure_Complexity	136
91753	Hydrogen_Bond_Acceptor_Count	4
58979809	Defined_Bond_Stereo_Count	0
4369359	Defined_Bond_Stereo_Count	0
11520759	Hydrogen_Bond_Acceptor_Count	12
10044423	Mono_Isotopic_Weight	366.05554326
53479	Defined_Atom_Stereo_Count	0
12654270	Structure_Complexity	101
20221840	Defined_Bond_Stereo_Count	0
2284	Structure_Complexity	191
5668	Tautomer_Count	1
4292413	Undefined_Atom_Stereo_Count	0
97006	Hydrogen_Bond_Acceptor_Count	3
172306	Rotatable_Bond_Count	7
399895	Molecular_Weight	271.31
36798	XLogP3	1.3
23090608	Hydrogen_Bond_Acceptor_Count	2
89484493	Defined_Atom_Stereo_Count	0
81592	Hydrogen_Bond_Acceptor_Count	2
6410758	Molecular_Weight	462.5
20769606	Mono_Isotopic_Weight	114.068079557
171284	Hydrogen_Bond_Acceptor_Count	13
3792939	Exact_Mass	101.904340
51371222	Molecular_Weight	392.18
135643052	Defined_Bond_Stereo_Count	1
164668700	Structure_Complexity	148
12622744	Hydrogen_Bond_Donor_Count	0
60196360	Mono_Isotopic_Weight	844.38573014
71387	Hydrogen_Bond_Donor_Count	1
118210311	Non-hydrogen_Atom_Count	8
5311051	Undefined_Bond_Stereo_Count	0
3531736	Hydrogen_Bond_Acceptor_Count	4
20666035	Undefined_Bond_Stereo_Count	0
289031	Hydrogen_Bond_Acceptor_Count	7
5388936	Defined_Bond_Stereo_Count	0
56843375	Covalent_Unit_Count	1
70684819	Defined_Atom_Stereo_Count	0
7566539	Hydrogen_Bond_Acceptor_Count	11
162681560	Defined_Bond_Stereo_Count	0
13183276	Covalent_Unit_Count	1
123178849	Undefined_Bond_Stereo_Count	0
10273	Isotope_Atom_Count	0
60196412	Exact_Mass	587.28183511
6440178	Covalent_Unit_Count	1
107918	Mono_Isotopic_Weight	1005.16812503
503	Molecular_Weight	117.11
705472	Defined_Atom_Stereo_Count	0
693802	Isotope_Atom_Count	0
178438	Tautomer_Count	1
55284153	Molecular_Weight	112.13
10486	Rotatable_Bond_Count	0
122362413	TPSA	202
7397	Undefined_Atom_Stereo_Count	0
31193	Exact_Mass	113.903365
21951770	Exact_Mass	111.05449518
9966051	Tautomer_Count	4
21414	Defined_Atom_Stereo_Count	0
24870668	Defined_Atom_Stereo_Count	19
72941511	Hydrogen_Bond_Donor_Count	8
5288679	TPSA	58.6
8972	Non-hydrogen_Atom_Count	27
139243813	Molecular_Weight	80.10
9918559	Non-hydrogen_Atom_Count	35
97383	Undefined_Bond_Stereo_Count	0
51759	Hydrogen_Bond_Acceptor_Count	8
80076	Rotatable_Bond_Count	1
75320	Defined_Bond_Stereo_Count	0
642975	Molecular_Weight	126.20
595	Hydrogen_Bond_Donor_Count	4
537906	Hydrogen_Bond_Donor_Count	1
903168	Defined_Atom_Stereo_Count	0
5715107	Mono_Isotopic_Weight	186.079312947
55560	Molecular_Weight	554.7
95713	TPSA	26.8
55289794	Rotatable_Bond_Count	2
643918	Undefined_Atom_Stereo_Count	0
22022636	Defined_Bond_Stereo_Count	0
8461	Hydrogen_Bond_Donor_Count	0
4336361	Undefined_Bond_Stereo_Count	0
101796201	Structure_Complexity	151
3033818	Non-hydrogen_Atom_Count	24
637978	Covalent_Unit_Count	1
43216	TPSA	41.5
24892775	Non-hydrogen_Atom_Count	34
12490222	Undefined_Atom_Stereo_Count	0
307	Undefined_Atom_Stereo_Count	0
66099	Defined_Bond_Stereo_Count	0
522325	Isotope_Atom_Count	0
26970	Undefined_Bond_Stereo_Count	0
10058	Non-hydrogen_Atom_Count	41
5375048	Rotatable_Bond_Count	2
9847241	Undefined_Bond_Stereo_Count	0
165971	Total_Formal_Charge	0
45182	Non-hydrogen_Atom_Count	19
16760227	Hydrogen_Bond_Acceptor_Count	7
10214	Tautomer_Count	3
138403272	Rotatable_Bond_Count	3
4866	Covalent_Unit_Count	1
6682	Non-hydrogen_Atom_Count	19
66051	Isotope_Atom_Count	0
155424	Mono_Isotopic_Weight	154.03784206
5351564	Molecular_Weight	400.3
44456889	Mono_Isotopic_Weight	271.04807239
44792	Hydrogen_Bond_Donor_Count	2
102503853	Undefined_Atom_Stereo_Count	0
17864302	Undefined_Atom_Stereo_Count	0
9936727	Defined_Bond_Stereo_Count	0
21930930	Exact_Mass	108.032362755
65947	Mono_Isotopic_Weight	461.10568470
69370	Defined_Bond_Stereo_Count	0
11676068	Mono_Isotopic_Weight	417.1607901
11368	TPSA	61.7
9576811	Exact_Mass	353.12229995
4269486	Rotatable_Bond_Count	0
2312	Mono_Isotopic_Weight	289.240564612
637511	Molecular_Weight	132.16
522596	Undefined_Atom_Stereo_Count	0
23685849	Mono_Isotopic_Weight	212.06606779
9840517	Undefined_Atom_Stereo_Count	0
822	Isotope_Atom_Count	0
999	Mono_Isotopic_Weight	136.052429494
18980946	Isotope_Atom_Count	0
71463896	Total_Formal_Charge	0
22054617	Molecular_Weight	169.18
101602	Rotatable_Bond_Count	2
15331	Undefined_Bond_Stereo_Count	0
6032	Covalent_Unit_Count	1
9101	Undefined_Bond_Stereo_Count	0
214397	Isotope_Atom_Count	0
57782	Rotatable_Bond_Count	5
7668	Total_Formal_Charge	0
797972	Total_Formal_Charge	0
34719	TPSA	29.5
13867124	Rotatable_Bond_Count	6
88534961	Defined_Atom_Stereo_Count	0
10197646	Defined_Atom_Stereo_Count	0
56463	Covalent_Unit_Count	1
20349001	Covalent_Unit_Count	1
44563146	Undefined_Bond_Stereo_Count	0
12576155	Isotope_Atom_Count	0
57402653	Isotope_Atom_Count	0
54582799	Structure_Complexity	267
1180	Non-hydrogen_Atom_Count	60
18730046	Exact_Mass	98.109550447
60196320	TPSA	44.5
57397898	Non-hydrogen_Atom_Count	30
102600809	Hydrogen_Bond_Acceptor_Count	10
74886	Structure_Complexity	731
12777	Non-hydrogen_Atom_Count	10
58028426	Defined_Atom_Stereo_Count	0
86446	Hydrogen_Bond_Donor_Count	0
1009	Mono_Isotopic_Weight	720.01216123
242356	Non-hydrogen_Atom_Count	21
21805409	Mono_Isotopic_Weight	104.094963011
11027582	Exact_Mass	506.97095
45109807	Total_Formal_Charge	0
78960	Structure_Complexity	103
11416654	TPSA	125
4112	Total_Formal_Charge	0
5362440	XLogP3-AA	2.8
82418997	Isotope_Atom_Count	0
21958	Undefined_Atom_Stereo_Count	0
49778730	Molecular_Weight	448.5
70682976	Undefined_Atom_Stereo_Count	0
6451477	Non-hydrogen_Atom_Count	7
81764	Non-hydrogen_Atom_Count	19
163775008	Defined_Bond_Stereo_Count	5
13708	Defined_Atom_Stereo_Count	0
4549	TPSA	95.2
17242	Undefined_Bond_Stereo_Count	0
563	Isotope_Atom_Count	0
20483	Exact_Mass	185.98429308
11560	Undefined_Atom_Stereo_Count	0
131709170	TPSA	476
59755734	Hydrogen_Bond_Acceptor_Count	1
18736159	Structure_Complexity	98.6
57458911	Non-hydrogen_Atom_Count	17
11668120	Defined_Bond_Stereo_Count	0
135121972	Mono_Isotopic_Weight	364.0713660
11177	Covalent_Unit_Count	3
5227	Defined_Atom_Stereo_Count	0
20591	XLogP3-AA	1.1
535634	XLogP3-AA	0.2
10592	TPSA	94.8
43598	Non-hydrogen_Atom_Count	15
107	Defined_Bond_Stereo_Count	0
20658615	Exact_Mass	112.052429494
158691271	Hydrogen_Bond_Acceptor_Count	3
82418997	Hydrogen_Bond_Donor_Count	0
57590	Total_Formal_Charge	0
2734996	Covalent_Unit_Count	3
130349042	Undefined_Atom_Stereo_Count	0
3824	Defined_Bond_Stereo_Count	0
5280608	Total_Formal_Charge	0
19540	Hydrogen_Bond_Donor_Count	0
92253	Structure_Complexity	321
88314418	Rotatable_Bond_Count	8
10890565	Structure_Complexity	288
11304743	Molecular_Weight	422.4
91181590	Mono_Isotopic_Weight	303.14705815
1150567	Covalent_Unit_Count	1
6433588	TPSA	89.8
12132	Defined_Atom_Stereo_Count	0
20469	Total_Formal_Charge	0
6047	Structure_Complexity	209
16473	Exact_Mass	328.0648413
137798	Mono_Isotopic_Weight	166.08162162
461128	Rotatable_Bond_Count	2
129649958	Exact_Mass	111.043261792
45933929	Defined_Bond_Stereo_Count	0
162413	Molecular_Weight	186.29
91166722	Total_Formal_Charge	0
46173707	Total_Formal_Charge	0
53810451	Structure_Complexity	80.1
56675037	Non-hydrogen_Atom_Count	30
15671	Isotope_Atom_Count	0
44925	Exact_Mass	341.1995809
7693	Isotope_Atom_Count	0
5288033	Hydrogen_Bond_Donor_Count	1
493	Mono_Isotopic_Weight	715.17278544
254	Structure_Complexity	175
133662562	Structure_Complexity	151
11974213	XLogP3-AA	5.5
248271	Total_Formal_Charge	0
98490	Defined_Atom_Stereo_Count	0
5222465	Exact_Mass	110.03437374
10427712	Exact_Mass	346.11782371
6262	Rotatable_Bond_Count	4
18518868	Covalent_Unit_Count	2
91562	Structure_Complexity	664
24968	Undefined_Bond_Stereo_Count	0
135408770	Tautomer_Count	10
25084151	Hydrogen_Bond_Donor_Count	16
99057	Hydrogen_Bond_Donor_Count	3
6096206	Mono_Isotopic_Weight	830.24537723
122738	TPSA	221
67615455	Undefined_Atom_Stereo_Count	2
845646	Hydrogen_Bond_Donor_Count	1
102233552	Defined_Bond_Stereo_Count	1
45029742	Exact_Mass	302.07903816
5289158	Rotatable_Bond_Count	2
135398599	Tautomer_Count	6
79309	Mono_Isotopic_Weight	184.0403406
6324599	Covalent_Unit_Count	2
8268	Hydrogen_Bond_Acceptor_Count	1
5311053	XLogP3	2.7
1486	Defined_Bond_Stereo_Count	0
53395363	Defined_Atom_Stereo_Count	0
99027	Isotope_Atom_Count	0
10775424	Undefined_Bond_Stereo_Count	0
11702315	Hydrogen_Bond_Donor_Count	1
86890	Non-hydrogen_Atom_Count	60
162342152	Non-hydrogen_Atom_Count	8
6713428	Rotatable_Bond_Count	1
22574	Total_Formal_Charge	0
12310948	Rotatable_Bond_Count	0
9898279	Isotope_Atom_Count	0
22591684	Covalent_Unit_Count	1
87663190	Hydrogen_Bond_Donor_Count	0
135979919	XLogP3-AA	4.1
8698	Non-hydrogen_Atom_Count	13
68109743	Undefined_Atom_Stereo_Count	0
57656715	XLogP3-AA	3.5
45214	Hydrogen_Bond_Donor_Count	1
136257950	TPSA	209
81981	Total_Formal_Charge	0
11460	Covalent_Unit_Count	1
10558590	Exact_Mass	113.084063974
17326	Tautomer_Count	1
18689	Undefined_Bond_Stereo_Count	0
67522784	Total_Formal_Charge	0
11597936	Defined_Bond_Stereo_Count	0
23695767	Covalent_Unit_Count	2
62705859	Non-hydrogen_Atom_Count	33
42796	Undefined_Bond_Stereo_Count	0
87481476	Covalent_Unit_Count	1
86039889	Rotatable_Bond_Count	2
10931	Non-hydrogen_Atom_Count	7
70684298	Defined_Atom_Stereo_Count	0
10154017	Molecular_Weight	103.16
135492	Undefined_Bond_Stereo_Count	0
20585	TPSA	89.5
141329202	Hydrogen_Bond_Donor_Count	0
90472752	Tautomer_Count	1
18759	Covalent_Unit_Count	1
16759310	Defined_Atom_Stereo_Count	0
68333315	Covalent_Unit_Count	1
71681009	Covalent_Unit_Count	1
18936143	Defined_Bond_Stereo_Count	0
5362456	Total_Formal_Charge	0
7018	Rotatable_Bond_Count	0
136059	Non-hydrogen_Atom_Count	8
32209	Non-hydrogen_Atom_Count	19
9037	Defined_Bond_Stereo_Count	0
11538592	Rotatable_Bond_Count	4
64108	Isotope_Atom_Count	0
12598074	Non-hydrogen_Atom_Count	14
84036	Structure_Complexity	1510
72149	Undefined_Atom_Stereo_Count	0
24478	TPSA	98
6537505	Mono_Isotopic_Weight	250.15689456
12479	Non-hydrogen_Atom_Count	14
352114	Defined_Atom_Stereo_Count	0
71359012	Hydrogen_Bond_Acceptor_Count	1
165708195	Molecular_Weight	110.15
81971	Defined_Bond_Stereo_Count	0
6540262	Covalent_Unit_Count	1
64427	Defined_Atom_Stereo_Count	0
9846875	Total_Formal_Charge	0
127909	Total_Formal_Charge	0
71237	Hydrogen_Bond_Acceptor_Count	8
252163	Defined_Atom_Stereo_Count	0
70683717	Undefined_Bond_Stereo_Count	0
121763	XLogP3-AA	1
443878	Molecular_Weight	475.6
5277135	Hydrogen_Bond_Donor_Count	2
154724068	Non-hydrogen_Atom_Count	12
64962	Isotope_Atom_Count	0
12290	Non-hydrogen_Atom_Count	7
2319	Molecular_Weight	335.28
79691	Isotope_Atom_Count	0
2402	Molecular_Weight	453.5
306	Mono_Isotopic_Weight	226.04773803
122222714	Undefined_Atom_Stereo_Count	2
9526	Isotope_Atom_Count	0
5311053	Mono_Isotopic_Weight	424.1652663
129897177	Covalent_Unit_Count	2
129858712	Hydrogen_Bond_Acceptor_Count	6
347402	Isotope_Atom_Count	0
90488850	Non-hydrogen_Atom_Count	36
4226	Hydrogen_Bond_Acceptor_Count	5
83478540	Structure_Complexity	98.7
409642	Structure_Complexity	349
62015	Molecular_Weight	407.6
12295187	Rotatable_Bond_Count	0
125037258	Hydrogen_Bond_Donor_Count	8
90915228	Undefined_Bond_Stereo_Count	0
46936572	Undefined_Atom_Stereo_Count	0
1310	Isotope_Atom_Count	0
78072498	Undefined_Atom_Stereo_Count	2
85668777	Total_Formal_Charge	0
6857686	XLogP3-AA	3
12958096	Total_Formal_Charge	0
156156900	Defined_Bond_Stereo_Count	0
195906	Hydrogen_Bond_Acceptor_Count	2
99560	Hydrogen_Bond_Acceptor_Count	4
9855445	Rotatable_Bond_Count	1
528143	Undefined_Atom_Stereo_Count	0
22353151	Molecular_Weight	432.4
610161	Defined_Atom_Stereo_Count	0
4556055	TPSA	55.7
4141783	Undefined_Bond_Stereo_Count	0
535479	Mono_Isotopic_Weight	82.053098200
14849721	Structure_Complexity	46.5
65125	Exact_Mass	112.03851076
527526	Hydrogen_Bond_Acceptor_Count	0
9885692	Rotatable_Bond_Count	4
214350	Non-hydrogen_Atom_Count	24
19193	Exact_Mass	109.063997236
2300	Structure_Complexity	418
45375806	Covalent_Unit_Count	1
3327	Hydrogen_Bond_Donor_Count	1
90169	Hydrogen_Bond_Acceptor_Count	6
1769	Defined_Atom_Stereo_Count	0
26560	Molecular_Weight	358.5
2763	Exact_Mass	288.0319997
4004	Exact_Mass	330.03606767
68165256	TPSA	85.9
77843966	Defined_Atom_Stereo_Count	2
47909	Defined_Atom_Stereo_Count	0
3714831	Total_Formal_Charge	0
21057641	Covalent_Unit_Count	1
8661	Covalent_Unit_Count	3
55299073	Isotope_Atom_Count	0
24848232	Exact_Mass	200.11091037
10427712	Hydrogen_Bond_Acceptor_Count	8
21497	XLogP3-AA	0.1
21680	Tautomer_Count	1
162955683	Undefined_Bond_Stereo_Count	0
69676	Structure_Complexity	77
2779183	Molecular_Weight	248.0
55958	Total_Formal_Charge	0
62829	Molecular_Weight	302.4
905	Hydrogen_Bond_Donor_Count	2
11127402	Non-hydrogen_Atom_Count	15
751505	Defined_Atom_Stereo_Count	1
11009	Hydrogen_Bond_Acceptor_Count	2
33630	Hydrogen_Bond_Acceptor_Count	7
3029012	Molecular_Weight	181.19
413742	Total_Formal_Charge	0
3658056	Isotope_Atom_Count	0
9860424	Exact_Mass	277.10759338
1578	Rotatable_Bond_Count	0
97469	Non-hydrogen_Atom_Count	12
2789	Defined_Bond_Stereo_Count	0
2228691	Defined_Atom_Stereo_Count	0
4532218	Isotope_Atom_Count	0
55918	Defined_Atom_Stereo_Count	0
16135	Tautomer_Count	1
207292	Undefined_Bond_Stereo_Count	0
11556910	Exact_Mass	391.06251792
70257	XLogP3-AA	3.5
291133	Hydrogen_Bond_Acceptor_Count	3
3034285	Structure_Complexity	646
738952	Total_Formal_Charge	0
160332	Exact_Mass	287.058243149
12041	Isotope_Atom_Count	0
54758308	Rotatable_Bond_Count	9
11957587	Total_Formal_Charge	0
24780352	Hydrogen_Bond_Donor_Count	2
22097456	Mono_Isotopic_Weight	112.063662883
31244	Covalent_Unit_Count	1
8216	Tautomer_Count	1
65223	Defined_Atom_Stereo_Count	0
6620134	Exact_Mass	445.20015635
80779	Undefined_Atom_Stereo_Count	0
96098	Defined_Atom_Stereo_Count	0
11895	Exact_Mass	170.0134572
54561872	Defined_Atom_Stereo_Count	0
21850	Hydrogen_Bond_Acceptor_Count	5
439504	Mono_Isotopic_Weight	915.51914999
11286453	Non-hydrogen_Atom_Count	8
274426	Rotatable_Bond_Count	0
439498	TPSA	93.4
5491295	Hydrogen_Bond_Donor_Count	3
3022	Defined_Atom_Stereo_Count	0
20387242	Covalent_Unit_Count	1
145822437	Undefined_Atom_Stereo_Count	0
20821286	Isotope_Atom_Count	0
5282745	Non-hydrogen_Atom_Count	18
19935381	Defined_Bond_Stereo_Count	0
73820465	Undefined_Atom_Stereo_Count	7
31255	Undefined_Atom_Stereo_Count	0
15158	Mono_Isotopic_Weight	161.9404218
18617909	Defined_Atom_Stereo_Count	0
3058754	Exact_Mass	397.07079698
520907	Molecular_Weight	101.19
3239844	Undefined_Bond_Stereo_Count	0
3500	Hydrogen_Bond_Acceptor_Count	5
70690049	Rotatable_Bond_Count	3
448718	Hydrogen_Bond_Acceptor_Count	8
54581775	Molecular_Weight	372.3
446934	Molecular_Weight	292.5
83444	Molecular_Weight	242.39
16682730	TPSA	26.3
20864	Covalent_Unit_Count	1
45749	Exact_Mass	1333.67002241
25403	Hydrogen_Bond_Donor_Count	0
16404350	Molecular_Weight	1202.6
85047	Defined_Atom_Stereo_Count	0
84872	Undefined_Bond_Stereo_Count	0
5360134	Molecular_Weight	116.17
19989310	Undefined_Atom_Stereo_Count	1
73437612	Molecular_Weight	768.5
11861720	Rotatable_Bond_Count	1
7812	Non-hydrogen_Atom_Count	8
18542107	Covalent_Unit_Count	1
27058	Undefined_Bond_Stereo_Count	0
3599	TPSA	58.6
643990	Molecular_Weight	820.7
44125988	Rotatable_Bond_Count	5
11289	Structure_Complexity	442
96312	Mono_Isotopic_Weight	297.10731860
62406	Hydrogen_Bond_Donor_Count	1
25335	Tautomer_Count	1
11350631	XLogP3-AA	5.4
297777	TPSA	109
59043	Molecular_Weight	252.11
70685495	Isotope_Atom_Count	0
17354	Total_Formal_Charge	0
135398654	Hydrogen_Bond_Acceptor_Count	6
549482	TPSA	17.1
13297	Total_Formal_Charge	0
68072	Defined_Atom_Stereo_Count	0
4478	Isotope_Atom_Count	0
5318591	Defined_Atom_Stereo_Count	5
22636790	XLogP3-AA	0
1247	Hydrogen_Bond_Donor_Count	1
399895	Undefined_Atom_Stereo_Count	4
90487871	Hydrogen_Bond_Donor_Count	1
3034658	Rotatable_Bond_Count	1
12626561	TPSA	44.5
4112	Mono_Isotopic_Weight	454.17131583
60021	Hydrogen_Bond_Acceptor_Count	9
168076	Isotope_Atom_Count	0
148139	Hydrogen_Bond_Acceptor_Count	9
23649154	Covalent_Unit_Count	1
8188	Defined_Atom_Stereo_Count	0
18414702	XLogP3-AA	0.3
5281088	Non-hydrogen_Atom_Count	22
21893625	Defined_Atom_Stereo_Count	0
18506394	Hydrogen_Bond_Acceptor_Count	2
30819	Covalent_Unit_Count	1
160078	Structure_Complexity	1560
6557	Total_Formal_Charge	0
142773668	Rotatable_Bond_Count	0
656954	XLogP3-AA	3.6
74120	Defined_Bond_Stereo_Count	0
139820	Molecular_Weight	100.12
160355	Hydrogen_Bond_Acceptor_Count	6
5280373	Total_Formal_Charge	0
439224	Exact_Mass	226.10659032
305	Defined_Atom_Stereo_Count	0
31018	Non-hydrogen_Atom_Count	8
74904	Total_Formal_Charge	0
129821327	Total_Formal_Charge	0
51935	Isotope_Atom_Count	0
53465849	Rotatable_Bond_Count	6
88859271	Rotatable_Bond_Count	3
31255	Defined_Atom_Stereo_Count	0
12933751	Hydrogen_Bond_Donor_Count	0
2734903	Hydrogen_Bond_Donor_Count	0
24636	Defined_Bond_Stereo_Count	0
107800	Tautomer_Count	2
96160	Structure_Complexity	47.9
10964453	Molecular_Weight	114.19
3442	Defined_Atom_Stereo_Count	0
41428	Covalent_Unit_Count	1
89053237	Molecular_Weight	107.11
23666879	Hydrogen_Bond_Donor_Count	2
7976	Mono_Isotopic_Weight	94.053098200
26979	Isotope_Atom_Count	0
179344	Undefined_Bond_Stereo_Count	0
14535399	Defined_Atom_Stereo_Count	0
44193111	Exact_Mass	396.1040837
122174048	Defined_Bond_Stereo_Count	0
87458296	Hydrogen_Bond_Donor_Count	0
41308	Defined_Bond_Stereo_Count	0
65360	Exact_Mass	207.05652907
59896759	Defined_Atom_Stereo_Count	0
41019	Non-hydrogen_Atom_Count	11
12200749	Undefined_Bond_Stereo_Count	0
49091	Isotope_Atom_Count	0
12433	Defined_Atom_Stereo_Count	0
77082	Covalent_Unit_Count	2
2884	Defined_Atom_Stereo_Count	0
148201	Mono_Isotopic_Weight	646.27913494
99327	Mono_Isotopic_Weight	319.08782920
45357	Structure_Complexity	201
6950274	Undefined_Atom_Stereo_Count	0
6427080	Undefined_Atom_Stereo_Count	0
7017816	Structure_Complexity	88.5
19757680	Hydrogen_Bond_Donor_Count	2
6505	Rotatable_Bond_Count	19
160312	Covalent_Unit_Count	1
94037	Non-hydrogen_Atom_Count	25
12998627	Undefined_Bond_Stereo_Count	0
6917976	Hydrogen_Bond_Acceptor_Count	22
12315159	Molecular_Weight	152.23
1643	Covalent_Unit_Count	1
19212	Molecular_Weight	464.6
119584	Total_Formal_Charge	0
4829	Defined_Bond_Stereo_Count	0
9158	Defined_Bond_Stereo_Count	0
6492	Undefined_Atom_Stereo_Count	4
136965670	Structure_Complexity	1130
443951	Molecular_Weight	340.5
64953	Exact_Mass	365.00705
30945	Hydrogen_Bond_Donor_Count	0
19709	TPSA	26
69341269	Total_Formal_Charge	0
84788	Molecular_Weight	152.09
44237094	XLogP3-AA	3.1
139348436	Isotope_Atom_Count	0
54677977	Rotatable_Bond_Count	2
6918457	XLogP3-AA	3.2
4191617	XLogP3	2.1
52893	Undefined_Bond_Stereo_Count	0
12268621	Mono_Isotopic_Weight	113.047678466
10290754	Molecular_Weight	102.14
67554835	Hydrogen_Bond_Donor_Count	1
24763202	Undefined_Atom_Stereo_Count	0
135537958	Undefined_Atom_Stereo_Count	0
70916	Rotatable_Bond_Count	8
129714937	Hydrogen_Bond_Donor_Count	0
41539	Non-hydrogen_Atom_Count	12
91523740	Molecular_Weight	110.20
6441388	Non-hydrogen_Atom_Count	44
66265	TPSA	12
75931	Total_Formal_Charge	0
135412163	TPSA	83.8
1646	Rotatable_Bond_Count	3
6509724	Defined_Bond_Stereo_Count	1
123604326	Hydrogen_Bond_Acceptor_Count	1
11154711	Defined_Bond_Stereo_Count	0
99850	Hydrogen_Bond_Donor_Count	1
9812	Molecular_Weight	229.25
23219736	TPSA	49.7
5281884	Molecular_Weight	1214.6
9060	TPSA	79.1
692791	Defined_Atom_Stereo_Count	1
277826	Hydrogen_Bond_Acceptor_Count	1
413534	Rotatable_Bond_Count	4
62379	Mono_Isotopic_Weight	355.18746
11773081	Hydrogen_Bond_Acceptor_Count	4
109198	Non-hydrogen_Atom_Count	32
28424	Undefined_Atom_Stereo_Count	0
14852454	TPSA	38
32	Undefined_Bond_Stereo_Count	1
123424	Isotope_Atom_Count	0
22833567	Exact_Mass	318.255880323
24182914	Hydrogen_Bond_Donor_Count	0
57077234	Total_Formal_Charge	0
6956334	Exact_Mass	385.03991
39526	Isotope_Atom_Count	0
66908038	Isotope_Atom_Count	0
825877	Rotatable_Bond_Count	2
3843	Isotope_Atom_Count	0
12290031	Exact_Mass	85.089149355
56949966	Isotope_Atom_Count	0
123265201	Defined_Bond_Stereo_Count	0
74889149	Mono_Isotopic_Weight	113.084063974
71512	Undefined_Bond_Stereo_Count	0
523523	Defined_Atom_Stereo_Count	0
3229	Defined_Bond_Stereo_Count	0
135402338	Exact_Mass	267.06439116
5479787	Molecular_Weight	557.5
4377949	Tautomer_Count	1
170317	Mono_Isotopic_Weight	349.1000197
13265779	Undefined_Bond_Stereo_Count	0
260913	Covalent_Unit_Count	1
18822	Undefined_Atom_Stereo_Count	0
21523541	Mono_Isotopic_Weight	106.078250319
19004	Undefined_Atom_Stereo_Count	1
12998627	Exact_Mass	250.01157045
112711235	Mono_Isotopic_Weight	113.058911855
1990	Mono_Isotopic_Weight	75.032028402
287064	Defined_Atom_Stereo_Count	0
76921	Non-hydrogen_Atom_Count	12
89364481	Non-hydrogen_Atom_Count	8
6477971	Hydrogen_Bond_Acceptor_Count	12
21865526	Mono_Isotopic_Weight	414.20423867
135503538	Hydrogen_Bond_Donor_Count	4
3251	TPSA	118
11433190	Undefined_Bond_Stereo_Count	0
19077501	Mono_Isotopic_Weight	390.1258817
637552	Hydrogen_Bond_Donor_Count	1
122174048	Mono_Isotopic_Weight	627.8438521
34755	Hydrogen_Bond_Donor_Count	4
3127	XLogP3	2.4
53387035	Covalent_Unit_Count	1
9387	Hydrogen_Bond_Acceptor_Count	18
24901347	Mono_Isotopic_Weight	463.19296297
26350	Undefined_Bond_Stereo_Count	0
88300	Isotope_Atom_Count	0
83645	Molecular_Weight	240.29
45351	Mono_Isotopic_Weight	277.1233420
448372	Undefined_Bond_Stereo_Count	0
11954350	Structure_Complexity	593
13344	Exact_Mass	305.8946469
250451	Undefined_Atom_Stereo_Count	0
8730	Tautomer_Count	2
12364760	Covalent_Unit_Count	1
400769	Exact_Mass	505.31920885
441382	Isotope_Atom_Count	0
81011	Hydrogen_Bond_Donor_Count	4
9829419	Structure_Complexity	903
13073879	XLogP3-AA	0
448055	Defined_Bond_Stereo_Count	0
25058197	Exact_Mass	223.1127773
15510	Molecular_Weight	102.20
22147963	Structure_Complexity	133
2734249	Isotope_Atom_Count	0
42208	Tautomer_Count	2
3760	Total_Formal_Charge	0
31374	Molecular_Weight	87.12
22611874	Hydrogen_Bond_Acceptor_Count	1
69803	Rotatable_Bond_Count	4
163636613	Undefined_Bond_Stereo_Count	0
17881	Undefined_Atom_Stereo_Count	0
21864427	Hydrogen_Bond_Donor_Count	21
10559	XLogP3-AA	2.8
57004451	Defined_Bond_Stereo_Count	0
59882246	Mono_Isotopic_Weight	111.068413911
90248267	Molecular_Weight	102.14
13387	Rotatable_Bond_Count	0
51352361	Hydrogen_Bond_Acceptor_Count	7
18689	Defined_Atom_Stereo_Count	0
57800	Rotatable_Bond_Count	5
12423177	TPSA	33
39	XLogP3-AA	0.6
5280389	Undefined_Bond_Stereo_Count	0
123512955	Covalent_Unit_Count	1
5460495	Structure_Complexity	90.4
67125854	Undefined_Atom_Stereo_Count	0
16129706	Defined_Bond_Stereo_Count	0
71743843	Defined_Bond_Stereo_Count	0
8393	Tautomer_Count	1
7549	Tautomer_Count	1
60871	Hydrogen_Bond_Donor_Count	1
15657508	Non-hydrogen_Atom_Count	7
57403506	Molecular_Weight	435.4
145720674	Rotatable_Bond_Count	7
295763	TPSA	51.8
68027	Covalent_Unit_Count	1
64655	Undefined_Bond_Stereo_Count	0
14494974	Hydrogen_Bond_Acceptor_Count	2
198	Covalent_Unit_Count	1
23418	TPSA	96.3
100516	Undefined_Atom_Stereo_Count	0
12669677	Defined_Atom_Stereo_Count	6
47547	TPSA	62.7
819440	Hydrogen_Bond_Acceptor_Count	3
25249	Hydrogen_Bond_Donor_Count	2
15702063	Defined_Atom_Stereo_Count	0
54332589	Undefined_Bond_Stereo_Count	1
9812772	Exact_Mass	116.083729621
194953	Mono_Isotopic_Weight	202.09535693
12405	Hydrogen_Bond_Acceptor_Count	0
9844557	XLogP3-AA	6.5
34049	Hydrogen_Bond_Donor_Count	2
741	Hydrogen_Bond_Donor_Count	10
688938	Structure_Complexity	394
129628281	Isotope_Atom_Count	0
53977	Molecular_Weight	1162.8
5360134	TPSA	31.2
5366244	Hydrogen_Bond_Donor_Count	1
88867195	Structure_Complexity	64.8
260707	Structure_Complexity	126
57057991	Covalent_Unit_Count	1
74652199	TPSA	55.3
360081	Hydrogen_Bond_Donor_Count	2
163578456	Exact_Mass	115.063328530
40468	Isotope_Atom_Count	0
1486	Non-hydrogen_Atom_Count	13
4320774	Undefined_Bond_Stereo_Count	0
70684821	TPSA	100
60207729	Molecular_Weight	113.08
3318739	XLogP3-AA	7.9
11416	Non-hydrogen_Atom_Count	8
73977860	Non-hydrogen_Atom_Count	8
123314224	Undefined_Bond_Stereo_Count	0
4712	Non-hydrogen_Atom_Count	27
19871	Covalent_Unit_Count	1
63974	Hydrogen_Bond_Acceptor_Count	6
9892815	Hydrogen_Bond_Donor_Count	2
399594	TPSA	54.3
763185	Exact_Mass	254.178298710
72302	Total_Formal_Charge	0
58642	TPSA	84.9
107649	Total_Formal_Charge	2
447546	Covalent_Unit_Count	1
24860548	Hydrogen_Bond_Donor_Count	3
33184	TPSA	41.1
24812721	Structure_Complexity	583
57197748	Mono_Isotopic_Weight	180.06338810
72200166	Undefined_Atom_Stereo_Count	0
6537489	Total_Formal_Charge	0
461279	Mono_Isotopic_Weight	384.01236864
144402393	Isotope_Atom_Count	0
21672	Hydrogen_Bond_Acceptor_Count	2
642156	Undefined_Bond_Stereo_Count	0
21802862	Undefined_Atom_Stereo_Count	0
542606	XLogP3	0.1
250451	Defined_Atom_Stereo_Count	0
417875	Molecular_Weight	112.09
9053	Exact_Mass	376.20498756
13186	Hydrogen_Bond_Donor_Count	1
93321	Hydrogen_Bond_Donor_Count	4
22385738	XLogP3-AA	0.2
17241	Undefined_Bond_Stereo_Count	0
9818479	Total_Formal_Charge	0
59398673	XLogP3-AA	0.1
12848392	Defined_Bond_Stereo_Count	0
21071390	Hydrogen_Bond_Acceptor_Count	7
5282944	Total_Formal_Charge	0
59648985	TPSA	23.8
10199	Structure_Complexity	155
176453	Structure_Complexity	219
4913	Hydrogen_Bond_Donor_Count	2
3000450	Undefined_Bond_Stereo_Count	0
12077828	Structure_Complexity	454
14712340	Isotope_Atom_Count	0
36559	Molecular_Weight	236.4
261	TPSA	17.1
97832	Defined_Atom_Stereo_Count	0
15129466	Defined_Atom_Stereo_Count	0
817	Molecular_Weight	238.19
70545463	Molecular_Weight	95.14
15559311	Isotope_Atom_Count	0
93286	Defined_Atom_Stereo_Count	0
3239844	Undefined_Atom_Stereo_Count	0
6989	Non-hydrogen_Atom_Count	11
919205	Tautomer_Count	2
12289998	Isotope_Atom_Count	0
23677676	Hydrogen_Bond_Acceptor_Count	5
18177388	Undefined_Atom_Stereo_Count	1
447407	Covalent_Unit_Count	1
3047809	TPSA	101
5283338	Defined_Bond_Stereo_Count	1
638132	Undefined_Atom_Stereo_Count	0
16102853	Defined_Atom_Stereo_Count	1
848	Total_Formal_Charge	0
24973879	Exact_Mass	110.109550447
38200	Mono_Isotopic_Weight	439.745736
44590445	Isotope_Atom_Count	0
101731271	TPSA	3
537877	Hydrogen_Bond_Acceptor_Count	1
93192	TPSA	49.3
6527064	Covalent_Unit_Count	3
51803	Molecular_Weight	365.82
21282995	Total_Formal_Charge	0
9472	Rotatable_Bond_Count	9
235414	Undefined_Bond_Stereo_Count	0
64914374	Molecular_Weight	112.17
135410916	Isotope_Atom_Count	0
24963	Isotope_Atom_Count	0
85694	Defined_Atom_Stereo_Count	0
6189	Structure_Complexity	635
5808883	Exact_Mass	872.49220697
16106825	Mono_Isotopic_Weight	108.057514874
3341	TPSA	72.7
10290764	Molecular_Weight	112.13
72200940	Structure_Complexity	745
64502	Molecular_Weight	216.32
21864369	Tautomer_Count	970
10330791	Covalent_Unit_Count	1
97109339	TPSA	17.1
236566	Defined_Atom_Stereo_Count	0
158432	Structure_Complexity	568
7335	Covalent_Unit_Count	1
15979	XLogP3-AA	9.3
57992122	Hydrogen_Bond_Acceptor_Count	4
16219127	Hydrogen_Bond_Acceptor_Count	6
78858	XLogP3	0.9
13932052	Isotope_Atom_Count	0
4204	XLogP3-AA	3.7
146345448	Hydrogen_Bond_Acceptor_Count	3
33782	Structure_Complexity	415
40585	Undefined_Bond_Stereo_Count	0
736366	Hydrogen_Bond_Donor_Count	2
8705	Tautomer_Count	6
55191	Molecular_Weight	359.5
59277756	Mono_Isotopic_Weight	99.043261792
143342009	Hydrogen_Bond_Acceptor_Count	1
24085	Isotope_Atom_Count	0
11957526	Molecular_Weight	260.13
5742631	Defined_Bond_Stereo_Count	0
44468216	Tautomer_Count	3
11470068	Hydrogen_Bond_Donor_Count	0
83478501	Isotope_Atom_Count	0
9648	Defined_Atom_Stereo_Count	0
5242420	Structure_Complexity	297
93205	Mono_Isotopic_Weight	385.17500423
9919265	Structure_Complexity	1830
38081	Covalent_Unit_Count	1
129027658	XLogP3-AA	1.4
99143	Molecular_Weight	210.3
88974	Rotatable_Bond_Count	0
13567	Isotope_Atom_Count	0
24180695	Mono_Isotopic_Weight	209.12632271
70693584	Isotope_Atom_Count	0
627679	Hydrogen_Bond_Acceptor_Count	4
3916	Tautomer_Count	1
6224	Exact_Mass	257.97283534
4458	Molecular_Weight	154.25
6092	Tautomer_Count	1
7195	Undefined_Atom_Stereo_Count	0
71460926	Defined_Bond_Stereo_Count	0
71643	Undefined_Bond_Stereo_Count	0
6282	Covalent_Unit_Count	3
14671576	Hydrogen_Bond_Donor_Count	0
148837046	Non-hydrogen_Atom_Count	8
841	Hydrogen_Bond_Acceptor_Count	5
20774105	Undefined_Atom_Stereo_Count	0
12271346	Rotatable_Bond_Count	1
11717025	Defined_Atom_Stereo_Count	0
5460326	Mono_Isotopic_Weight	205.03569700
24781	Molecular_Weight	99.09
292184	Defined_Bond_Stereo_Count	0
78422631	Non-hydrogen_Atom_Count	14
527	Undefined_Bond_Stereo_Count	0
235269	XLogP3-AA	2.2
13556	Defined_Bond_Stereo_Count	0
15758	Hydrogen_Bond_Donor_Count	2
14464	Tautomer_Count	1
522002	Non-hydrogen_Atom_Count	8
5353355	Undefined_Bond_Stereo_Count	0
16685015	Mono_Isotopic_Weight	533.77790
55289472	Non-hydrogen_Atom_Count	7
94268	Mono_Isotopic_Weight	98.073164938
637885	TPSA	58.9
6669	Exact_Mass	294.12157168
14129	Isotope_Atom_Count	0
57429842	Non-hydrogen_Atom_Count	8
123359989	Defined_Atom_Stereo_Count	0
10162742	TPSA	103
7405	Defined_Atom_Stereo_Count	1
54686188	Molecular_Weight	805.9
92806	Undefined_Bond_Stereo_Count	0
36688153	Isotope_Atom_Count	0
21249654	Total_Formal_Charge	2
81601	Covalent_Unit_Count	2
92321	Hydrogen_Bond_Acceptor_Count	4
91824766	Molecular_Weight	1553.8
5284515	Rotatable_Bond_Count	6
71455277	Isotope_Atom_Count	0
15671365	Undefined_Bond_Stereo_Count	0
10026007	Non-hydrogen_Atom_Count	28
1452	Undefined_Bond_Stereo_Count	1
836041	Hydrogen_Bond_Acceptor_Count	2
37829	XLogP3-AA	2.4
124524515	Exact_Mass	342.11621151
52945260	Undefined_Bond_Stereo_Count	0
59495	TPSA	29.1
134976	Molecular_Weight	222.24
6102761	Defined_Atom_Stereo_Count	3
46233311	Rotatable_Bond_Count	8
17841655	Defined_Bond_Stereo_Count	0
11632737	Mono_Isotopic_Weight	401.11218768
96277	Exact_Mass	200.0240218
11974215	Exact_Mass	511.22309724
2465	Non-hydrogen_Atom_Count	23
398675	TPSA	36
77014	Covalent_Unit_Count	1
27016	Exact_Mass	283.157228913
58265608	Total_Formal_Charge	0
15496999	Exact_Mass	97.052763847
135413552	Total_Formal_Charge	0
5709	Hydrogen_Bond_Acceptor_Count	1
71489	Mono_Isotopic_Weight	416.14633
36305	Defined_Atom_Stereo_Count	0
15202944	Molecular_Weight	73.09
83669186	Defined_Bond_Stereo_Count	0
147895	TPSA	231
137701	Molecular_Weight	86.13
91302105	Hydrogen_Bond_Donor_Count	0
342737	Structure_Complexity	590
668508	Undefined_Bond_Stereo_Count	1
71455278	Isotope_Atom_Count	0
56658438	Covalent_Unit_Count	1
18622350	Isotope_Atom_Count	0
7659	TPSA	26.3
6618	Hydrogen_Bond_Donor_Count	2
535634	Structure_Complexity	83.4
839431	Structure_Complexity	365
3328	Defined_Bond_Stereo_Count	0
145721395	Molecular_Weight	840.3
12243027	Undefined_Bond_Stereo_Count	0
132282752	Defined_Bond_Stereo_Count	0
10534631	Hydrogen_Bond_Donor_Count	1
3733	TPSA	154
74320	Rotatable_Bond_Count	2
5460135	Defined_Bond_Stereo_Count	3
90547	Undefined_Atom_Stereo_Count	0
2526	Hydrogen_Bond_Acceptor_Count	6
5391	Defined_Atom_Stereo_Count	0
21157625	Undefined_Bond_Stereo_Count	0
2829715	Total_Formal_Charge	0
15950085	Covalent_Unit_Count	1
10225191	Undefined_Atom_Stereo_Count	0
376	Undefined_Bond_Stereo_Count	0
94310	Tautomer_Count	1
45878	Tautomer_Count	1
18622350	Hydrogen_Bond_Donor_Count	0
32495	Defined_Bond_Stereo_Count	0
5371560	TPSA	65.1
11661758	Non-hydrogen_Atom_Count	27
122669	Defined_Atom_Stereo_Count	0
87081618	Non-hydrogen_Atom_Count	10
154081962	Defined_Bond_Stereo_Count	0
7530	Mono_Isotopic_Weight	122.073164938
6420038	Isotope_Atom_Count	0
37207	Undefined_Atom_Stereo_Count	0
123558404	Hydrogen_Bond_Donor_Count	0
58318269	Structure_Complexity	415
562683	Undefined_Atom_Stereo_Count	0
91649	Undefined_Bond_Stereo_Count	0
131082430	Covalent_Unit_Count	1
9284	TPSA	34.6
447573	Hydrogen_Bond_Donor_Count	4
14049689	Tautomer_Count	1
55886	Undefined_Atom_Stereo_Count	0
71718453	Undefined_Bond_Stereo_Count	0
171075	Exact_Mass	244.0767261
59856471	Hydrogen_Bond_Acceptor_Count	9
49849523	Covalent_Unit_Count	1
9839657	Undefined_Bond_Stereo_Count	0
76225552	Structure_Complexity	80.1
16211286	Isotope_Atom_Count	0
53694406	Defined_Bond_Stereo_Count	0
456557	Isotope_Atom_Count	0
12608294	Structure_Complexity	77.6
14660779	Defined_Bond_Stereo_Count	0
29352	Exact_Mass	152.083729621
154776153	Exact_Mass	284.16237386
439570	Tautomer_Count	5
866400	Exact_Mass	312.10225383
5458497	Defined_Bond_Stereo_Count	1
54594759	Defined_Atom_Stereo_Count	0
552109	Molecular_Weight	118.17
69132	Defined_Atom_Stereo_Count	0
46936613	Rotatable_Bond_Count	8
24848261	Mono_Isotopic_Weight	413.1202852
17846631	Structure_Complexity	240
13930075	TPSA	29.1
11455910	Defined_Atom_Stereo_Count	0
25058186	Defined_Bond_Stereo_Count	0
703965	Total_Formal_Charge	0
2723816	Mono_Isotopic_Weight	96.01872368
12560816	Undefined_Atom_Stereo_Count	0
444183	Hydrogen_Bond_Donor_Count	4
231040	Undefined_Bond_Stereo_Count	0
2728270	Non-hydrogen_Atom_Count	24
6919629	Mono_Isotopic_Weight	184.09736831
118984411	Undefined_Atom_Stereo_Count	0
5362894	Covalent_Unit_Count	1
439192	Isotope_Atom_Count	0
71572	Tautomer_Count	2
5282545	Total_Formal_Charge	0
338733	Covalent_Unit_Count	1
2947	Hydrogen_Bond_Donor_Count	1
11447	XLogP3-AA	4
6950248	Mono_Isotopic_Weight	103.099714038
1473603	Covalent_Unit_Count	1
314	TPSA	175
9885355	Undefined_Atom_Stereo_Count	0
439680	Undefined_Bond_Stereo_Count	0
16760189	Defined_Bond_Stereo_Count	0
154147714	Structure_Complexity	145
65651	Structure_Complexity	694
519200	Exact_Mass	100.052429494
72207871	Molecular_Weight	101.15
6024	TPSA	167
106428	Exact_Mass	220.1342410
13853	Molecular_Weight	86.13
9934283	Defined_Atom_Stereo_Count	0
6780	Structure_Complexity	261
39327	Defined_Atom_Stereo_Count	0
12974	Covalent_Unit_Count	1
248370	Non-hydrogen_Atom_Count	27
7067874	Defined_Atom_Stereo_Count	5
20384488	Hydrogen_Bond_Acceptor_Count	1
13379958	Hydrogen_Bond_Acceptor_Count	1
11452716	Structure_Complexity	683
11617559	Covalent_Unit_Count	1
14077	Defined_Bond_Stereo_Count	0
157568	Non-hydrogen_Atom_Count	7
700140	Undefined_Atom_Stereo_Count	0
6850729	Isotope_Atom_Count	0
69507	Non-hydrogen_Atom_Count	16
41684	XLogP3-AA	2
57602863	XLogP3-AA	1.1
27665	TPSA	12.9
12694695	Covalent_Unit_Count	1
11910	Molecular_Weight	143.18
213040	Non-hydrogen_Atom_Count	36
11947765	Structure_Complexity	161
52141942	Hydrogen_Bond_Acceptor_Count	1
17360	Undefined_Bond_Stereo_Count	1
153835411	Isotope_Atom_Count	0
44144829	Total_Formal_Charge	0
65246	Covalent_Unit_Count	1
5572	Hydrogen_Bond_Donor_Count	1
17860889	Hydrogen_Bond_Acceptor_Count	2
3482	Covalent_Unit_Count	1
632910	Covalent_Unit_Count	1
5364971	Covalent_Unit_Count	1
153627081	Rotatable_Bond_Count	2
17898580	Hydrogen_Bond_Acceptor_Count	2
67123	Rotatable_Bond_Count	13
23335676	Isotope_Atom_Count	0
12040508	Exact_Mass	405.02516722
89555	Hydrogen_Bond_Acceptor_Count	1
895	Undefined_Bond_Stereo_Count	0
53728	Undefined_Atom_Stereo_Count	0
136257950	Hydrogen_Bond_Acceptor_Count	14
52946209	Structure_Complexity	374
10920451	Total_Formal_Charge	0
136219151	Exact_Mass	404.1767745
21792546	Isotope_Atom_Count	0
5606	Undefined_Atom_Stereo_Count	1
76324338	Covalent_Unit_Count	1
9800068	Hydrogen_Bond_Acceptor_Count	7
135459219	Undefined_Bond_Stereo_Count	0
125127450	Molecular_Weight	665.7
65728	Mono_Isotopic_Weight	386.354866087
45116687	Hydrogen_Bond_Donor_Count	1
656954	Non-hydrogen_Atom_Count	20
4479095	Defined_Bond_Stereo_Count	0
10942338	Non-hydrogen_Atom_Count	6
140233814	Defined_Atom_Stereo_Count	0
20542700	Structure_Complexity	112
24812721	Rotatable_Bond_Count	6
22323434	Defined_Bond_Stereo_Count	0
46931057	Rotatable_Bond_Count	17
146159501	TPSA	35.5
53664307	Covalent_Unit_Count	1
18760539	Structure_Complexity	50
3637	TPSA	63.8
25181577	Isotope_Atom_Count	0
71812105	Hydrogen_Bond_Acceptor_Count	3
6327657	Structure_Complexity	207
178080	Structure_Complexity	545
104	Defined_Atom_Stereo_Count	0
74068	XLogP3-AA	2.6
83970	Exact_Mass	545.18971080
12233	Hydrogen_Bond_Donor_Count	1
5146	Exact_Mass	124.052429494
12581088	Hydrogen_Bond_Donor_Count	0
11264371	TPSA	103
86278404	Molecular_Weight	180.16
136266076	Covalent_Unit_Count	1
31265	Structure_Complexity	89.3
57750369	Defined_Atom_Stereo_Count	0
3279	Defined_Bond_Stereo_Count	0
89053239	Hydrogen_Bond_Donor_Count	0
141281584	Exact_Mass	114.104465066
28837	Defined_Atom_Stereo_Count	0
11441307	XLogP3-AA	5.2
59519119	Undefined_Atom_Stereo_Count	1
410615	Undefined_Atom_Stereo_Count	1
25849	Hydrogen_Bond_Acceptor_Count	2
119025724	Non-hydrogen_Atom_Count	43
13032	Structure_Complexity	82.7
74685737	Covalent_Unit_Count	1
9873570	Molecular_Weight	323.5
199229	Hydrogen_Bond_Acceptor_Count	2
7533	Exact_Mass	179.06161445
11078	Exact_Mass	330.1710204
9568700	Molecular_Weight	206.27
74097	Total_Formal_Charge	0
29878	Total_Formal_Charge	0
3002120	TPSA	247
40428463	Hydrogen_Bond_Donor_Count	0
6431226	Defined_Atom_Stereo_Count	2
448653	Non-hydrogen_Atom_Count	54
21276	Covalent_Unit_Count	1
89493263	Structure_Complexity	158
73386890	Defined_Atom_Stereo_Count	0
23724963	Undefined_Atom_Stereo_Count	0
2372	Tautomer_Count	1
14974	Molecular_Weight	867.0
65492	Structure_Complexity	583
3086173	Mono_Isotopic_Weight	436.22631153
14300	Defined_Bond_Stereo_Count	0
22505735	Exact_Mass	98.084398327
19757496	Mono_Isotopic_Weight	108.01868458
162059	Structure_Complexity	110
2766	Undefined_Bond_Stereo_Count	1
135408763	Defined_Bond_Stereo_Count	0
6539304	XLogP3-AA	3
32804	Rotatable_Bond_Count	0
18942519	Non-hydrogen_Atom_Count	11
47675	Tautomer_Count	1
5488196	Molecular_Weight	236.27
6326719	Defined_Bond_Stereo_Count	0
71453618	Non-hydrogen_Atom_Count	28
135564527	Undefined_Atom_Stereo_Count	0
139054114	Non-hydrogen_Atom_Count	42
146159249	Non-hydrogen_Atom_Count	27
3855171	Covalent_Unit_Count	1
123630180	Exact_Mass	108.093900383
68947	Hydrogen_Bond_Acceptor_Count	2
643984	Rotatable_Bond_Count	3
10920474	Undefined_Bond_Stereo_Count	0
22404995	Isotope_Atom_Count	0
83335	Tautomer_Count	1
135398698	Hydrogen_Bond_Acceptor_Count	5
12687005	Molecular_Weight	303.4
142507	Total_Formal_Charge	0
91041862	Isotope_Atom_Count	0
6419708	Molecular_Weight	300.4
222865	Total_Formal_Charge	0
9754	Mono_Isotopic_Weight	201.96548
2788	XLogP3	3.5
9946953	Non-hydrogen_Atom_Count	24
5312125	Isotope_Atom_Count	0
25008	Covalent_Unit_Count	1
25512	Non-hydrogen_Atom_Count	6
68071	Defined_Bond_Stereo_Count	0
8430	Covalent_Unit_Count	1
20055424	XLogP3-AA	2.7
231040	Defined_Atom_Stereo_Count	0
24721356	Tautomer_Count	970
7652	Total_Formal_Charge	0
133688938	Defined_Bond_Stereo_Count	2
19787449	Covalent_Unit_Count	1
3946663	Defined_Atom_Stereo_Count	0
14269	Undefined_Bond_Stereo_Count	0
60199965	Non-hydrogen_Atom_Count	35
70685175	Structure_Complexity	683
66275	Defined_Atom_Stereo_Count	0
7088	Defined_Bond_Stereo_Count	0
65055	Rotatable_Bond_Count	5
15689273	Undefined_Bond_Stereo_Count	0
16717	Structure_Complexity	149
5275520	Molecular_Weight	168.23
11207	Non-hydrogen_Atom_Count	5
5464097	Hydrogen_Bond_Donor_Count	3
24254	Rotatable_Bond_Count	3
73707	XLogP3-AA	5.5
57174138	XLogP3-AA	0.2
22211722	Non-hydrogen_Atom_Count	28
566849	Exact_Mass	168.09727168
8112	Isotope_Atom_Count	0
11482181	Hydrogen_Bond_Acceptor_Count	4
129711468	Hydrogen_Bond_Acceptor_Count	3
75184787	Total_Formal_Charge	0
449085	Tautomer_Count	1
637517	Non-hydrogen_Atom_Count	20
53245830	Rotatable_Bond_Count	17
23992	Undefined_Atom_Stereo_Count	0
66969	Tautomer_Count	1
21389	Mono_Isotopic_Weight	348.16985928
87689	Defined_Bond_Stereo_Count	0
3048339	Tautomer_Count	3
5311201	Structure_Complexity	658
656804	Tautomer_Count	40
77463	XLogP3-AA	1.1
13981	Defined_Atom_Stereo_Count	0
103451510	XLogP3-AA	0.2
163613625	Total_Formal_Charge	0
53754520	Covalent_Unit_Count	1
136889	Defined_Atom_Stereo_Count	0
12353957	Structure_Complexity	84.2
16821	Non-hydrogen_Atom_Count	14
13698	Isotope_Atom_Count	0
9926586	Rotatable_Bond_Count	2
83969	Defined_Bond_Stereo_Count	0
12513420	XLogP3-AA	0.9
60196431	Defined_Atom_Stereo_Count	0
21719780	XLogP3-AA	1
95170	Defined_Bond_Stereo_Count	0
12598088	Hydrogen_Bond_Donor_Count	1
131634423	Total_Formal_Charge	0
521280	Tautomer_Count	1
121148	Defined_Atom_Stereo_Count	0
5496	Isotope_Atom_Count	0
33793	Molecular_Weight	386.80
135814	Exact_Mass	296.17360725
3512	Covalent_Unit_Count	1
477	Rotatable_Bond_Count	8
107217	Mono_Isotopic_Weight	196.146329876
61247	Molecular_Weight	102.17
44226825	Structure_Complexity	418
12486323	Mono_Isotopic_Weight	120.078644241
447956	Covalent_Unit_Count	1
164116	Undefined_Atom_Stereo_Count	1
3656821	Hydrogen_Bond_Donor_Count	2
151205	TPSA	88.6
68260836	Undefined_Atom_Stereo_Count	2
14920523	Hydrogen_Bond_Donor_Count	0
67899	Defined_Bond_Stereo_Count	0
8713	Hydrogen_Bond_Acceptor_Count	2
6604796	TPSA	70.9
124600	Rotatable_Bond_Count	4
1553	Non-hydrogen_Atom_Count	20
84072037	Defined_Atom_Stereo_Count	0
61868	Mono_Isotopic_Weight	118.099379685
71541174	Non-hydrogen_Atom_Count	23
89512131	Molecular_Weight	371.8
17110	Mono_Isotopic_Weight	287.25727730
6420	Undefined_Atom_Stereo_Count	0
54224045	Isotope_Atom_Count	0
21940	Defined_Bond_Stereo_Count	0
74353448	Mono_Isotopic_Weight	556.18755704
9950244	Rotatable_Bond_Count	4
34636	Hydrogen_Bond_Acceptor_Count	5
16832	Defined_Bond_Stereo_Count	0
31005	TPSA	18.5
136592	Defined_Bond_Stereo_Count	0
2762816	Hydrogen_Bond_Donor_Count	1
6419765	Hydrogen_Bond_Acceptor_Count	3
1374121	Defined_Atom_Stereo_Count	0
8461	Molecular_Weight	182.13
60966	Exact_Mass	91.099714038
1376	Defined_Bond_Stereo_Count	0
23540	Rotatable_Bond_Count	2
519963	XLogP3-AA	0.6
70680970	Molecular_Weight	472.5
4255	Covalent_Unit_Count	1
69111	Defined_Atom_Stereo_Count	0
9886	Structure_Complexity	62.7
60196365	Undefined_Atom_Stereo_Count	1
6328648	Covalent_Unit_Count	1
5187	Hydrogen_Bond_Acceptor_Count	7
5282229	TPSA	101
154724068	Hydrogen_Bond_Acceptor_Count	6
11521070	Undefined_Bond_Stereo_Count	0
6923	Mono_Isotopic_Weight	150.104465066
142912303	Hydrogen_Bond_Acceptor_Count	2
46203139	Defined_Bond_Stereo_Count	0
4936	Structure_Complexity	454
12383043	Defined_Atom_Stereo_Count	0
22225706	Mono_Isotopic_Weight	101.084063974
36186	Rotatable_Bond_Count	1
141770945	Defined_Atom_Stereo_Count	0
2898	XLogP3-AA	5.5
46878477	Structure_Complexity	395
23464986	Total_Formal_Charge	0
12714402	Undefined_Atom_Stereo_Count	1
143647928	Covalent_Unit_Count	1
162636	Structure_Complexity	153
6364	Total_Formal_Charge	0
839431	Hydrogen_Bond_Donor_Count	2
12968	Molecular_Weight	189.32
15566577	XLogP3-AA	0
56670170	Rotatable_Bond_Count	5
70732	Covalent_Unit_Count	1
86607	Rotatable_Bond_Count	4
51030529	Hydrogen_Bond_Donor_Count	0
16741878	Isotope_Atom_Count	0
129630227	Mono_Isotopic_Weight	7340.9926854
5235	Rotatable_Bond_Count	0
5282184	Hydrogen_Bond_Donor_Count	0
596	Non-hydrogen_Atom_Count	17
818183	Undefined_Bond_Stereo_Count	0
1810203	Tautomer_Count	4
13042689	Non-hydrogen_Atom_Count	8
60028369	Undefined_Atom_Stereo_Count	0
76207	Structure_Complexity	164
14786532	Exact_Mass	111.068413911
10197622	Exact_Mass	87.068413911
19143	XLogP3	2.6
1855	Undefined_Atom_Stereo_Count	0
135421392	Undefined_Bond_Stereo_Count	0
3024461	Rotatable_Bond_Count	5
11965427	Covalent_Unit_Count	1
6137	Isotope_Atom_Count	0
14503	Structure_Complexity	165
83151608	Undefined_Bond_Stereo_Count	0
1027	Total_Formal_Charge	0
12358497	Rotatable_Bond_Count	0
85335	Isotope_Atom_Count	0
4033	Hydrogen_Bond_Acceptor_Count	1
171296	Hydrogen_Bond_Donor_Count	1
134032	Structure_Complexity	605
8407	Total_Formal_Charge	0
20726704	Hydrogen_Bond_Donor_Count	0
146675212	Non-hydrogen_Atom_Count	82
7897	Non-hydrogen_Atom_Count	6
1211493	Covalent_Unit_Count	1
6015423	Structure_Complexity	570
5330196	Mono_Isotopic_Weight	456.1564330
9806063	Non-hydrogen_Atom_Count	34
39976	Mono_Isotopic_Weight	371.0495256
2741000	Hydrogen_Bond_Acceptor_Count	2
5365910	Defined_Atom_Stereo_Count	0
95961	Structure_Complexity	220
377	Defined_Bond_Stereo_Count	0
24472	Tautomer_Count	1
91037	Hydrogen_Bond_Acceptor_Count	7
24456	Hydrogen_Bond_Acceptor_Count	8
62305	Non-hydrogen_Atom_Count	34
241027	Molecular_Weight	139.19
78597	Defined_Atom_Stereo_Count	0
177085	Rotatable_Bond_Count	4
71459167	TPSA	85.8
152306	Total_Formal_Charge	0
69088	Structure_Complexity	232
11916	Non-hydrogen_Atom_Count	11
69452237	Structure_Complexity	503
318158	Exact_Mass	112.052429494
7924	TPSA	35.5
36405	Isotope_Atom_Count	0
53856389	Defined_Bond_Stereo_Count	0
74802	Covalent_Unit_Count	1
87892	Rotatable_Bond_Count	16
103656	Isotope_Atom_Count	0
58095446	Mono_Isotopic_Weight	99.104799419
191101	Undefined_Bond_Stereo_Count	0
82953	Undefined_Bond_Stereo_Count	0
66545744	Isotope_Atom_Count	0
2933256	Isotope_Atom_Count	0
31378	Hydrogen_Bond_Acceptor_Count	6
454202	Tautomer_Count	2
60159	Isotope_Atom_Count	0
86287519	Defined_Bond_Stereo_Count	1
3393	Undefined_Atom_Stereo_Count	0
23674183	Covalent_Unit_Count	3
10197959	Isotope_Atom_Count	0
12209629	Defined_Bond_Stereo_Count	0
36405	Hydrogen_Bond_Donor_Count	0
6435	Defined_Atom_Stereo_Count	0
13662	Total_Formal_Charge	0
1878	Defined_Bond_Stereo_Count	0
10654193	Hydrogen_Bond_Acceptor_Count	2
72199539	Hydrogen_Bond_Acceptor_Count	6
91688	XLogP3-AA	5.1
485092	Non-hydrogen_Atom_Count	7
10102486	Molecular_Weight	993.6
32322	Tautomer_Count	4
28532	Covalent_Unit_Count	1
75657	Molecular_Weight	127.18
23940	Defined_Atom_Stereo_Count	0
644021	Undefined_Atom_Stereo_Count	0
77245	Covalent_Unit_Count	1
78377	Total_Formal_Charge	0
10594637	Molecular_Weight	359.5
712078	Total_Formal_Charge	0
4345065	Exact_Mass	872.44457755
10872638	Rotatable_Bond_Count	3
90845	Hydrogen_Bond_Acceptor_Count	0
7826	Total_Formal_Charge	0
15412227	Molecular_Weight	95.14
44623071	XLogP3-AA	0.6
26923	Undefined_Bond_Stereo_Count	0
256930	Molecular_Weight	247.09
24978553	Isotope_Atom_Count	0
5273621	Structure_Complexity	371
15286	Defined_Atom_Stereo_Count	0
54585642	Covalent_Unit_Count	1
544629	Hydrogen_Bond_Acceptor_Count	1
53346592	Tautomer_Count	1
31216	Isotope_Atom_Count	0
12590456	Non-hydrogen_Atom_Count	7
72978296	Exact_Mass	115.063328530
57385371	Molecular_Weight	432.9
146382	Undefined_Bond_Stereo_Count	2
12715	Mono_Isotopic_Weight	116.094963011
90853172	Mono_Isotopic_Weight	112.125200510
9776841	Isotope_Atom_Count	0
717505	Total_Formal_Charge	0
5253	Molecular_Weight	272.37
91021644	Structure_Complexity	149
135659016	Hydrogen_Bond_Acceptor_Count	15
13788048	Exact_Mass	390.0111167
70544	Non-hydrogen_Atom_Count	14
69491	Isotope_Atom_Count	0
16540	Molecular_Weight	119.59
10197643	Hydrogen_Bond_Donor_Count	2
10252	Hydrogen_Bond_Donor_Count	2
66259	Hydrogen_Bond_Acceptor_Count	2
60753	Structure_Complexity	443
60165806	Rotatable_Bond_Count	8
56473	Hydrogen_Bond_Acceptor_Count	3
44455117	Total_Formal_Charge	0
6429536	Rotatable_Bond_Count	2
130804992	Defined_Atom_Stereo_Count	0
87187677	XLogP3-AA	1.2
18851	Undefined_Atom_Stereo_Count	1
21983433	Molecular_Weight	293.49
69341269	Exact_Mass	112.063662883
42884	Structure_Complexity	433
61044	Structure_Complexity	150
86307	TPSA	49.4
12047567	Hydrogen_Bond_Acceptor_Count	19
23625548	Undefined_Atom_Stereo_Count	0
71584405	Non-hydrogen_Atom_Count	30
57394711	XLogP3-AA	3.2
5640	Tautomer_Count	3
92131818	Undefined_Bond_Stereo_Count	0
548787	Structure_Complexity	127
3032472	Isotope_Atom_Count	0
10727	Hydrogen_Bond_Donor_Count	0
133967	XLogP3-AA	5.1
2745687	Hydrogen_Bond_Acceptor_Count	7
3033050	Structure_Complexity	869
16683	Hydrogen_Bond_Donor_Count	0
21610771	Molecular_Weight	117.10
22341858	Molecular_Weight	86.14
10453870	Undefined_Atom_Stereo_Count	0
102967	TPSA	18.5
53237112	Molecular_Weight	404.5
5281643	TPSA	207
76997	Non-hydrogen_Atom_Count	15
5366352	XLogP3-AA	2.6
11094575	Defined_Atom_Stereo_Count	0
994868	Molecular_Weight	535.6
71840	Structure_Complexity	256
9934032	Non-hydrogen_Atom_Count	32
58071	Molecular_Weight	276.37
68210	Hydrogen_Bond_Donor_Count	1
2747	Molecular_Weight	262.3
10715	Total_Formal_Charge	0
11271	Molecular_Weight	114.19
129693502	Hydrogen_Bond_Donor_Count	8
65427	Rotatable_Bond_Count	1
63686	Tautomer_Count	5
139060618	Undefined_Bond_Stereo_Count	0
12933274	Hydrogen_Bond_Acceptor_Count	1
5282180	Undefined_Atom_Stereo_Count	0
129636908	Hydrogen_Bond_Acceptor_Count	21
21124737	Undefined_Bond_Stereo_Count	0
20295235	Covalent_Unit_Count	1
54887	Exact_Mass	384.19098865
102239676	Non-hydrogen_Atom_Count	28
4516	Isotope_Atom_Count	0
5287565	Rotatable_Bond_Count	0
122004	Covalent_Unit_Count	1
91415017	Hydrogen_Bond_Donor_Count	2
7528	Total_Formal_Charge	0
13120	Non-hydrogen_Atom_Count	24
85669790	XLogP3-AA	1.7
43834	Mono_Isotopic_Weight	256.109944368
115034	Total_Formal_Charge	0
14690973	Hydrogen_Bond_Acceptor_Count	2
31195	Structure_Complexity	206
56659	TPSA	49.8
4693	Mono_Isotopic_Weight	776.31382363
242722	Hydrogen_Bond_Donor_Count	0
6457	Non-hydrogen_Atom_Count	20
13218140	Total_Formal_Charge	0
46783795	Defined_Bond_Stereo_Count	0
23678979	TPSA	40.1
91100506	Rotatable_Bond_Count	1
7122	Isotope_Atom_Count	0
85805628	Structure_Complexity	122
9960	Defined_Bond_Stereo_Count	0
53683458	Covalent_Unit_Count	1
2830832	TPSA	116
94297	Rotatable_Bond_Count	2
4613278	Undefined_Atom_Stereo_Count	0
454386	Structure_Complexity	484
441203	Undefined_Atom_Stereo_Count	0
18407200	Undefined_Atom_Stereo_Count	0
9954944	Hydrogen_Bond_Acceptor_Count	11
130354549	Defined_Bond_Stereo_Count	0
19063	Isotope_Atom_Count	0
31205	Molecular_Weight	388.7
6257	Covalent_Unit_Count	1
2387	XLogP3-AA	1
2678	Undefined_Bond_Stereo_Count	0
9269197	Mono_Isotopic_Weight	379.20082506
87604555	TPSA	61.1
73653998	Undefined_Atom_Stereo_Count	1
88344183	Defined_Bond_Stereo_Count	0
165901	Mono_Isotopic_Weight	307.0975211
135398495	Exact_Mass	381.19132300
7870	XLogP3-AA	0.3
21777	Mono_Isotopic_Weight	211.1127773
6453528	Non-hydrogen_Atom_Count	21
441307	Exact_Mass	372.1815851
11508	Defined_Atom_Stereo_Count	0
153000	Molecular_Weight	99.09
2350	TPSA	62.7
18422690	Defined_Atom_Stereo_Count	0
6603901	Mono_Isotopic_Weight	402.16785316
7179	Defined_Atom_Stereo_Count	0
18867	Molecular_Weight	224.26
82728	Non-hydrogen_Atom_Count	11
4652	Mono_Isotopic_Weight	199.0400063
72155	Isotope_Atom_Count	0
8106	Defined_Bond_Stereo_Count	0
44310002	Covalent_Unit_Count	1
189003	Molecular_Weight	190.18
86210061	Structure_Complexity	267
6713	Tautomer_Count	1
25014598	Non-hydrogen_Atom_Count	35
5288527	Rotatable_Bond_Count	4
7923	Hydrogen_Bond_Acceptor_Count	3
125468	Molecular_Weight	100.12
10061	Hydrogen_Bond_Acceptor_Count	4
560126	TPSA	21.2
49865918	Defined_Atom_Stereo_Count	2
28794	Isotope_Atom_Count	0
5308	Defined_Atom_Stereo_Count	0
6518171	Defined_Bond_Stereo_Count	0
8	Undefined_Atom_Stereo_Count	2
11396600	Defined_Atom_Stereo_Count	5
7977	Rotatable_Bond_Count	0
49865920	Defined_Bond_Stereo_Count	0
53894233	Isotope_Atom_Count	0
11658655	Structure_Complexity	245
449013	Tautomer_Count	2
9824562	Mono_Isotopic_Weight	441.11476979
78031	Mono_Isotopic_Weight	229.99456046
133520	Hydrogen_Bond_Donor_Count	2
10964417	Mono_Isotopic_Weight	95.073499291
10887853	TPSA	28.2
11858	Undefined_Bond_Stereo_Count	0
83528703	Defined_Bond_Stereo_Count	0
15560749	TPSA	60.2
16395512	Non-hydrogen_Atom_Count	58
6391	TPSA	0
5362115	Undefined_Bond_Stereo_Count	0
12398272	Total_Formal_Charge	0
18407	Isotope_Atom_Count	0
65991760	Undefined_Atom_Stereo_Count	0
2199	XLogP3-AA	0.9
91610	Covalent_Unit_Count	1
166754	Tautomer_Count	4
62556	Defined_Bond_Stereo_Count	0
70120	Defined_Atom_Stereo_Count	0
101543	Structure_Complexity	517
3033877	Defined_Atom_Stereo_Count	0
75846	Mono_Isotopic_Weight	220.01289061
6368	Undefined_Atom_Stereo_Count	0
7678	Defined_Atom_Stereo_Count	0
16213080	Molecular_Weight	500.12
69408	Tautomer_Count	1
527568	Molecular_Weight	94.15
83952	Defined_Bond_Stereo_Count	0
140532060	Undefined_Atom_Stereo_Count	0
5353853	Non-hydrogen_Atom_Count	26
4612	Hydrogen_Bond_Acceptor_Count	5
18604	Exact_Mass	212.214015512
134613	Molecular_Weight	270.28
52993227	Hydrogen_Bond_Acceptor_Count	9
9641	Non-hydrogen_Atom_Count	14
62414	Hydrogen_Bond_Donor_Count	0
80618	Isotope_Atom_Count	0
9877351	Isotope_Atom_Count	0
6264	Covalent_Unit_Count	1
9848628	Total_Formal_Charge	0
60196384	Mono_Isotopic_Weight	283.07970
6342	XLogP3-AA	0
52934127	Tautomer_Count	2
42509	Mono_Isotopic_Weight	329.1658755
10347501	Exact_Mass	549.16353150
13574480	Rotatable_Bond_Count	2
7578	Tautomer_Count	2
9865	Tautomer_Count	1
45437	Total_Formal_Charge	0
6030	Molecular_Weight	324.18
9948894	Non-hydrogen_Atom_Count	22
14359581	Structure_Complexity	92.5
46244454	Hydrogen_Bond_Donor_Count	1
3003141	Molecular_Weight	354.3
14646171	Structure_Complexity	85.4
562176	Hydrogen_Bond_Donor_Count	0
88547603	Hydrogen_Bond_Donor_Count	5
16054	Structure_Complexity	126
7107	Defined_Bond_Stereo_Count	0
11934	Isotope_Atom_Count	0
54413601	Non-hydrogen_Atom_Count	20
7714	Molecular_Weight	184.27
297618	Isotope_Atom_Count	0
1306	Defined_Bond_Stereo_Count	0
43013	Total_Formal_Charge	0
130025113	Rotatable_Bond_Count	0
63025	Hydrogen_Bond_Donor_Count	1
439260	Isotope_Atom_Count	0
11212667	Undefined_Atom_Stereo_Count	0
69462056	Rotatable_Bond_Count	0
19633	Rotatable_Bond_Count	6
130149197	Mono_Isotopic_Weight	110.073164938
101561	Hydrogen_Bond_Donor_Count	3
8502	Structure_Complexity	193
8433	TPSA	34.1
10909485	Defined_Atom_Stereo_Count	0
70686373	Structure_Complexity	574
69975	Defined_Bond_Stereo_Count	0
73437646	Exact_Mass	323.23675420
358	Undefined_Bond_Stereo_Count	0
443942	Rotatable_Bond_Count	4
55416	Undefined_Atom_Stereo_Count	0
42993	Mono_Isotopic_Weight	339.14705815
129738943	Structure_Complexity	129
53893636	Isotope_Atom_Count	0
91895934	Exact_Mass	560.27338086
1471380	Undefined_Atom_Stereo_Count	0
165154847	Exact_Mass	112.052429494
57609	Defined_Bond_Stereo_Count	0
12452021	XLogP3-AA	1.2
131632500	Covalent_Unit_Count	1
71761627	Hydrogen_Bond_Donor_Count	3
41124	Non-hydrogen_Atom_Count	10
562176	XLogP3-AA	2.8
17818	Isotope_Atom_Count	0
76974809	Total_Formal_Charge	0
16399351	Isotope_Atom_Count	0
4387	Rotatable_Bond_Count	8
9828310	Non-hydrogen_Atom_Count	37
11296583	Defined_Atom_Stereo_Count	7
24233	Structure_Complexity	30.5
67248528	Exact_Mass	424.0989983
5282242	Molecular_Weight	410.4
360	Defined_Atom_Stereo_Count	0
12149454	Molecular_Weight	310.37
37142	Non-hydrogen_Atom_Count	20
14181	Rotatable_Bond_Count	5
11018827	Undefined_Bond_Stereo_Count	0
23976	Isotope_Atom_Count	0
25162926	Undefined_Atom_Stereo_Count	0
24233	Undefined_Bond_Stereo_Count	0
701186	Non-hydrogen_Atom_Count	21
43226	Covalent_Unit_Count	1
73154880	TPSA	27.8
7020128	Defined_Atom_Stereo_Count	1
23695850	Rotatable_Bond_Count	6
53321481	Covalent_Unit_Count	1
18805	Undefined_Bond_Stereo_Count	0
260495	Undefined_Bond_Stereo_Count	0
446873	Hydrogen_Bond_Donor_Count	4
28102	Isotope_Atom_Count	0
117715670	Total_Formal_Charge	0
129628889	Structure_Complexity	285
89220373	Hydrogen_Bond_Donor_Count	5
2227	Total_Formal_Charge	0
99058	Exact_Mass	260.02971899
33802	TPSA	0
5287792	Hydrogen_Bond_Acceptor_Count	3
11338127	Undefined_Atom_Stereo_Count	0
533909	Undefined_Atom_Stereo_Count	0
18381542	Non-hydrogen_Atom_Count	28
60196296	Molecular_Weight	292.5
2734952	Molecular_Weight	246.25
451156	Undefined_Bond_Stereo_Count	0
191101	Undefined_Atom_Stereo_Count	0
41506	Exact_Mass	346.13805082
80045	Structure_Complexity	224
10832	Total_Formal_Charge	0
6931101	Mono_Isotopic_Weight	180.02968267
23668198	Rotatable_Bond_Count	3
705145	Molecular_Weight	349.4
22010122	Defined_Bond_Stereo_Count	0
123015	Exact_Mass	238.110613074
14967651	Undefined_Bond_Stereo_Count	0
146159249	Mono_Isotopic_Weight	373.22530847
15830	Non-hydrogen_Atom_Count	10
8110	Exact_Mass	99.068413911
3979	XLogP3-AA	6.2
54585643	TPSA	89
135499741	Tautomer_Count	5
10887835	Hydrogen_Bond_Acceptor_Count	1
71309	Non-hydrogen_Atom_Count	34
5666	Tautomer_Count	1
59729233	Non-hydrogen_Atom_Count	8
59116084	Rotatable_Bond_Count	1
4403	Molecular_Weight	361.25
3848	Rotatable_Bond_Count	3
123347340	Hydrogen_Bond_Donor_Count	0
667468	Undefined_Bond_Stereo_Count	0
62453	Rotatable_Bond_Count	1
3086308	Isotope_Atom_Count	0
5463	Defined_Atom_Stereo_Count	0
115367	Molecular_Weight	463.0
68374	Defined_Atom_Stereo_Count	0
92546	Covalent_Unit_Count	1
46485	Hydrogen_Bond_Donor_Count	2
6795	Undefined_Bond_Stereo_Count	0
36832	Total_Formal_Charge	0
12264928	Structure_Complexity	68.3
2752445	Non-hydrogen_Atom_Count	7
189562	Undefined_Bond_Stereo_Count	0
6852129	Non-hydrogen_Atom_Count	14
12536731	Non-hydrogen_Atom_Count	8
23662369	Mono_Isotopic_Weight	304.08238656
108147	Hydrogen_Bond_Donor_Count	8
6028462	Structure_Complexity	72
37508	Defined_Atom_Stereo_Count	0
613570	TPSA	12.9
5311447	Isotope_Atom_Count	0
63786	Tautomer_Count	5
446127	Mono_Isotopic_Weight	152.083729621
102514067	Structure_Complexity	123
20517187	Defined_Atom_Stereo_Count	0
6418719	Hydrogen_Bond_Acceptor_Count	10
365938	Non-hydrogen_Atom_Count	28
15179723	Mono_Isotopic_Weight	102.079312947
6252	Structure_Complexity	383
527072	Isotope_Atom_Count	0
13609305	Defined_Atom_Stereo_Count	0
441934	Molecular_Weight	933.1
56680336	Isotope_Atom_Count	0
445420	Total_Formal_Charge	0
24191	Isotope_Atom_Count	0
10534631	Non-hydrogen_Atom_Count	8
539244	Mono_Isotopic_Weight	478.20029610
359231	TPSA	20.2
38072	Structure_Complexity	356
904857	Tautomer_Count	1
11949285	XLogP3	3.4
33254	Defined_Bond_Stereo_Count	0
76318	Undefined_Bond_Stereo_Count	0
3580	Undefined_Bond_Stereo_Count	6
72326	Defined_Atom_Stereo_Count	10
6683	TPSA	94.8
12487261	Exact_Mass	116.047344113
6444834	Defined_Bond_Stereo_Count	2
154013151	Mono_Isotopic_Weight	116.047344113
88210	XLogP3-AA	6.6
18819	Tautomer_Count	1
5352846	Undefined_Atom_Stereo_Count	0
9555	Defined_Atom_Stereo_Count	0
148431	TPSA	24.4
23385871	Covalent_Unit_Count	1
11973	Structure_Complexity	543
130150414	Mono_Isotopic_Weight	118.02660867
6918639	Molecular_Weight	542.33
135436520	Covalent_Unit_Count	2
20277171	Molecular_Weight	125.21
71624469	Mono_Isotopic_Weight	336.15862589
194699	Defined_Bond_Stereo_Count	0
9970626	Structure_Complexity	304
941651	Exact_Mass	443.17011952
146159711	Undefined_Bond_Stereo_Count	5
9690105	Rotatable_Bond_Count	8
135409409	Covalent_Unit_Count	1
17994637	Isotope_Atom_Count	0
446569	Mono_Isotopic_Weight	596.24170406
135408511	Tautomer_Count	16
66707439	Exact_Mass	166.01268994
92136216	Hydrogen_Bond_Acceptor_Count	14
44626421	XLogP3-AA	5.6
6343	Rotatable_Bond_Count	0
5282401	Defined_Atom_Stereo_Count	0
44352909	Defined_Bond_Stereo_Count	0
60196329	Hydrogen_Bond_Acceptor_Count	6
931	Hydrogen_Bond_Donor_Count	0
16323	Structure_Complexity	141
11568	Structure_Complexity	74.9
75987414	Total_Formal_Charge	0
216261	Tautomer_Count	4
65996	Mono_Isotopic_Weight	330.267113712
638081	Rotatable_Bond_Count	0
6436082	Total_Formal_Charge	0
89976630	Structure_Complexity	124
91223	Tautomer_Count	1
94973	Total_Formal_Charge	0
10197619	Non-hydrogen_Atom_Count	6
20684386	TPSA	20.2
10442	Covalent_Unit_Count	1
5257090	TPSA	80.5
265520	Covalent_Unit_Count	1
1550823	Undefined_Atom_Stereo_Count	0
62277	TPSA	154
66022	Mono_Isotopic_Weight	269.308250248
90486	Non-hydrogen_Atom_Count	16
54675842	Defined_Atom_Stereo_Count	0
70198	Rotatable_Bond_Count	0
5779	Exact_Mass	150.05282342
189914	Total_Formal_Charge	0
75530159	Defined_Atom_Stereo_Count	0
83967	Mono_Isotopic_Weight	312.07799279
10107	Hydrogen_Bond_Acceptor_Count	4
3418	Molecular_Weight	218.10
12205	Mono_Isotopic_Weight	180.0221037
131632475	Undefined_Atom_Stereo_Count	1
5311201	Defined_Bond_Stereo_Count	0
32414	Structure_Complexity	253
6409631	Isotope_Atom_Count	0
77018	Defined_Bond_Stereo_Count	0
31352	Structure_Complexity	153
51951	Tautomer_Count	1
92444	Mono_Isotopic_Weight	335.860066
12343	Undefined_Bond_Stereo_Count	0
6406	Defined_Bond_Stereo_Count	0
35343	Non-hydrogen_Atom_Count	10
15950	Defined_Bond_Stereo_Count	0
129316177	Molecular_Weight	1229.3
2733224	Non-hydrogen_Atom_Count	7
17860889	Undefined_Atom_Stereo_Count	0
72200758	Hydrogen_Bond_Donor_Count	3
15122661	Isotope_Atom_Count	0
16987	Mono_Isotopic_Weight	251.9937843
164167667	Covalent_Unit_Count	1
29681	Hydrogen_Bond_Acceptor_Count	4
3035241	Undefined_Bond_Stereo_Count	0
79772	Defined_Atom_Stereo_Count	0
53677339	Defined_Atom_Stereo_Count	0
150310	Non-hydrogen_Atom_Count	30
499953	Isotope_Atom_Count	0
14168316	TPSA	75.8
11402147	Defined_Bond_Stereo_Count	0
11181	Molecular_Weight	100.12
118984456	Hydrogen_Bond_Acceptor_Count	61
3321360	Rotatable_Bond_Count	0
87010	XLogP3-AA	1
1218	Hydrogen_Bond_Acceptor_Count	3
14759390	Mono_Isotopic_Weight	116.047344113
1096	Covalent_Unit_Count	2
5486	Molecular_Weight	440.6
455798	TPSA	138
21041053	Hydrogen_Bond_Donor_Count	0
21662703	Exact_Mass	108.068748264
11933	Undefined_Bond_Stereo_Count	0
224	Mono_Isotopic_Weight	347.06308480
21399335	Hydrogen_Bond_Donor_Count	1
16222096	Structure_Complexity	624
14535398	Hydrogen_Bond_Acceptor_Count	2
167845	Defined_Bond_Stereo_Count	0
30085	Undefined_Atom_Stereo_Count	0
3037456	Non-hydrogen_Atom_Count	35
17982851	Total_Formal_Charge	0
866430	Undefined_Atom_Stereo_Count	0
35384	Defined_Atom_Stereo_Count	0
25058186	Molecular_Weight	448.5
56991328	Exact_Mass	114.068079557
53869954	Isotope_Atom_Count	0
17811	Undefined_Bond_Stereo_Count	0
19370943	Undefined_Atom_Stereo_Count	0
54111	Mono_Isotopic_Weight	289.0401358
2724	Covalent_Unit_Count	1
57430	Isotope_Atom_Count	0
90449	Total_Formal_Charge	0
70545463	Non-hydrogen_Atom_Count	7
17074527	Defined_Atom_Stereo_Count	0
5358902	Structure_Complexity	159
49865963	Isotope_Atom_Count	0
3137736	Rotatable_Bond_Count	3
27774	Defined_Atom_Stereo_Count	0
185617	Tautomer_Count	19
19828862	Isotope_Atom_Count	0
5289295	XLogP3-AA	2.3
14397832	Exact_Mass	99.043261792
412736	Rotatable_Bond_Count	6
56845432	Covalent_Unit_Count	1
26428	Molecular_Weight	153.18
216262	Structure_Complexity	643
443380	Mono_Isotopic_Weight	399.22570239
24776149	Undefined_Atom_Stereo_Count	0
5282761	Undefined_Bond_Stereo_Count	0
15951529	Exact_Mass	464.09300959
10920441	Total_Formal_Charge	0
11961423	Exact_Mass	112.063662883
87390140	Hydrogen_Bond_Donor_Count	1
2128	Defined_Bond_Stereo_Count	0
5323984	XLogP3-AA	1.1
10205	Rotatable_Bond_Count	0
78457	Defined_Atom_Stereo_Count	1
10197842	Non-hydrogen_Atom_Count	10
124921376	Non-hydrogen_Atom_Count	47
7802604	Defined_Atom_Stereo_Count	0
23675321	Mono_Isotopic_Weight	418.02692283
638051	Covalent_Unit_Count	1
33960	Undefined_Bond_Stereo_Count	0
11507	Isotope_Atom_Count	0
18323753	Hydrogen_Bond_Donor_Count	0
87359450	Covalent_Unit_Count	1
11042360	Defined_Atom_Stereo_Count	0
11332503	Molecular_Weight	137.14
71681166	Isotope_Atom_Count	0
87454072	Mono_Isotopic_Weight	100.027277375
556035	Tautomer_Count	1
7309	Hydrogen_Bond_Donor_Count	1
46869955	Isotope_Atom_Count	0
37686	Rotatable_Bond_Count	5
108850	Total_Formal_Charge	0
136382971	Covalent_Unit_Count	1
44310513	Total_Formal_Charge	0
54677946	Isotope_Atom_Count	0
226764	Hydrogen_Bond_Donor_Count	0
1438038	Defined_Bond_Stereo_Count	0
30930	Structure_Complexity	83.7
156963715	Hydrogen_Bond_Donor_Count	8
7572	Rotatable_Bond_Count	4
13019077	Undefined_Bond_Stereo_Count	0
31370	Mono_Isotopic_Weight	94.0185425
701186	Mono_Isotopic_Weight	304.0614700
163962080	XLogP3-AA	0.2
24012	Defined_Atom_Stereo_Count	0
56518	Defined_Bond_Stereo_Count	0
14667	Hydrogen_Bond_Donor_Count	1
23278030	Defined_Atom_Stereo_Count	0
76963834	Defined_Bond_Stereo_Count	0
25015694	Non-hydrogen_Atom_Count	36
58640	Undefined_Atom_Stereo_Count	1
3791	XLogP3	2.1
704314	Rotatable_Bond_Count	4
6674	Covalent_Unit_Count	1
9823	Hydrogen_Bond_Acceptor_Count	3
82461	Undefined_Bond_Stereo_Count	0
156599083	Defined_Bond_Stereo_Count	1
58098237	Undefined_Bond_Stereo_Count	0
12701395	Hydrogen_Bond_Acceptor_Count	1
19375004	Total_Formal_Charge	0
31132	Total_Formal_Charge	0
1711973	Covalent_Unit_Count	1
330654	Rotatable_Bond_Count	1
143780	Structure_Complexity	63.4
120393	Exact_Mass	280.0866221
133920	Hydrogen_Bond_Acceptor_Count	11
692135	Isotope_Atom_Count	0
19089601	TPSA	69.1
21902132	Molecular_Weight	101.10
21464101	Molecular_Weight	99.13
135430945	Total_Formal_Charge	0
16722126	XLogP3-AA	2.1
20711973	Covalent_Unit_Count	1
19991465	Defined_Bond_Stereo_Count	0
126843213	Undefined_Bond_Stereo_Count	0
65328	Covalent_Unit_Count	3
10087661	Exact_Mass	324.0221037
63546	Non-hydrogen_Atom_Count	38
66586067	Structure_Complexity	316
71310415	Non-hydrogen_Atom_Count	26
61828	Undefined_Bond_Stereo_Count	0
21637412	Undefined_Atom_Stereo_Count	0
10337	Defined_Atom_Stereo_Count	0
11974020	XLogP3-AA	3.7
56929	Undefined_Bond_Stereo_Count	0
118008485	Isotope_Atom_Count	0
19962876	Defined_Atom_Stereo_Count	0
1274476	Exact_Mass	99.068413911
13331	TPSA	20.3
135564996	Structure_Complexity	780
26009888	TPSA	64.1
20699949	Hydrogen_Bond_Donor_Count	2
75502	XLogP3	7.5
6232	Isotope_Atom_Count	0
13794998	Undefined_Atom_Stereo_Count	0
375481	Isotope_Atom_Count	0
117072551	XLogP3-AA	4.4
197942	Non-hydrogen_Atom_Count	13
1497794	XLogP3-AA	2
9257	Undefined_Bond_Stereo_Count	0
22644568	XLogP3-AA	3.6
4369491	Hydrogen_Bond_Donor_Count	3
24838347	Isotope_Atom_Count	0
5311024	Defined_Bond_Stereo_Count	0
33567	Structure_Complexity	2
63958	XLogP3-AA	2.4
18506429	Total_Formal_Charge	0
24350	Mono_Isotopic_Weight	189.83407
10077129	Defined_Bond_Stereo_Count	1
71389631	Exact_Mass	108.057514874
129848458	Covalent_Unit_Count	1
44560574	Hydrogen_Bond_Acceptor_Count	6
543882	Isotope_Atom_Count	0
31250	Total_Formal_Charge	0
163359784	Undefined_Bond_Stereo_Count	0
65590	TPSA	26
54332784	Total_Formal_Charge	0
9068	Defined_Bond_Stereo_Count	0
153969622	Covalent_Unit_Count	1
9300	Undefined_Bond_Stereo_Count	0
5311070	Total_Formal_Charge	0
164705775	Molecular_Weight	342.30
21579051	Undefined_Bond_Stereo_Count	0
59277756	Structure_Complexity	58.1
21851	Molecular_Weight	324.8
36273	Rotatable_Bond_Count	3
3080818	TPSA	59.4
19016756	Total_Formal_Charge	0
143440	Isotope_Atom_Count	0
33539	TPSA	96.2
6133	Hydrogen_Bond_Donor_Count	7
13653	Hydrogen_Bond_Donor_Count	3
810	Structure_Complexity	1450
439368	TPSA	46.5
56679112	Covalent_Unit_Count	1
571	Non-hydrogen_Atom_Count	19
29761	Molecular_Weight	329.4
689	Hydrogen_Bond_Acceptor_Count	14
78398	Defined_Atom_Stereo_Count	0
77152	Covalent_Unit_Count	1
431097	XLogP3-AA	0.8
18290	TPSA	41.6
7516	Undefined_Bond_Stereo_Count	0
13506	Tautomer_Count	3
141487201	Undefined_Atom_Stereo_Count	1
69829	Defined_Bond_Stereo_Count	0
75005	Non-hydrogen_Atom_Count	10
60196391	Exact_Mass	295.09245548
54496446	Defined_Atom_Stereo_Count	0
25208	Non-hydrogen_Atom_Count	12
6539297	Hydrogen_Bond_Acceptor_Count	8
851833	Exact_Mass	230.0377538
1205040	Total_Formal_Charge	0
18998026	TPSA	66.2
137075	XLogP3	1.6
5905	Structure_Complexity	386
69808	Undefined_Atom_Stereo_Count	0
60712	Hydrogen_Bond_Acceptor_Count	4
135596593	Hydrogen_Bond_Acceptor_Count	14
62354	Exact_Mass	620.28327683
81396	Undefined_Bond_Stereo_Count	0
51522	Undefined_Bond_Stereo_Count	0
10366136	Undefined_Atom_Stereo_Count	0
42521	Total_Formal_Charge	0
15686	Exact_Mass	358.25079494
18999713	Mono_Isotopic_Weight	114.104465066
19587	Tautomer_Count	2
6431226	Non-hydrogen_Atom_Count	14
129446563	TPSA	60.7
91810695	Hydrogen_Bond_Acceptor_Count	16
929262	Molecular_Weight	250.38
10432339	Exact_Mass	421.0863050
7436	Isotope_Atom_Count	0
48306	XLogP3-AA	5.3
6914	Non-hydrogen_Atom_Count	10
132276561	Hydrogen_Bond_Acceptor_Count	12
149362669	Mono_Isotopic_Weight	98.073164938
36906	Rotatable_Bond_Count	3
40471	Hydrogen_Bond_Acceptor_Count	0
27888	Undefined_Bond_Stereo_Count	0
22617391	Undefined_Bond_Stereo_Count	0
9904746	Structure_Complexity	108
3243927	Total_Formal_Charge	0
37901	Defined_Atom_Stereo_Count	0
121313292	TPSA	9.2
10237369	Undefined_Bond_Stereo_Count	0
66195	Covalent_Unit_Count	1
22833307	Rotatable_Bond_Count	6
26470411	Total_Formal_Charge	0
14081616	Molecular_Weight	110.16
688938	Defined_Atom_Stereo_Count	0
448133	Total_Formal_Charge	1
72054	Undefined_Bond_Stereo_Count	0
87161809	TPSA	49.8
22168583	Isotope_Atom_Count	0
796414	Exact_Mass	276.183778013
78293	Covalent_Unit_Count	1
941385	Defined_Atom_Stereo_Count	2
60156	Hydrogen_Bond_Acceptor_Count	4
2734248	Isotope_Atom_Count	0
8125	Hydrogen_Bond_Acceptor_Count	0
11419335	Mono_Isotopic_Weight	441.20524173
159778730	Undefined_Bond_Stereo_Count	0
222528	Molecular_Weight	392.6
62347	Mono_Isotopic_Weight	142.04907545
12200169	TPSA	32.7
9811353	Hydrogen_Bond_Donor_Count	10
139292184	Hydrogen_Bond_Acceptor_Count	17
5464200	Exact_Mass	284.1291556
71695437	TPSA	33
70695705	Molecular_Weight	477.5
27744	Defined_Bond_Stereo_Count	0
60527	Total_Formal_Charge	0
74411	Undefined_Atom_Stereo_Count	0
126505488	Isotope_Atom_Count	0
141758021	Undefined_Atom_Stereo_Count	0
23725051	Isotope_Atom_Count	0
59693872	Defined_Atom_Stereo_Count	0
8363	Hydrogen_Bond_Acceptor_Count	3
129317846	Mono_Isotopic_Weight	1029.60248569
21786	Undefined_Bond_Stereo_Count	0
8472	Covalent_Unit_Count	1
69033681	Rotatable_Bond_Count	1
16322	Undefined_Bond_Stereo_Count	0
14067844	Molecular_Weight	111.10
105746	Total_Formal_Charge	0
19787449	Structure_Complexity	115
16404350	Defined_Atom_Stereo_Count	3
60936	Defined_Bond_Stereo_Count	0
44412186	XLogP3-AA	4.1
135538685	Exact_Mass	247.10692467
178134	Rotatable_Bond_Count	4
58098237	Defined_Atom_Stereo_Count	0
17776820	Mono_Isotopic_Weight	110.109550447
7221	Mono_Isotopic_Weight	134.01902136
98048103	Hydrogen_Bond_Acceptor_Count	16
77529	Structure_Complexity	138
11170991	Hydrogen_Bond_Donor_Count	2
53565	Total_Formal_Charge	0
656838	Hydrogen_Bond_Donor_Count	5
11108673	Rotatable_Bond_Count	0
87586559	Structure_Complexity	137
15208461	Non-hydrogen_Atom_Count	7
189562	Undefined_Atom_Stereo_Count	0
59022304	Molecular_Weight	101.15
77014	Non-hydrogen_Atom_Count	11
91026652	Total_Formal_Charge	0
98648	TPSA	92.4
144895707	Undefined_Atom_Stereo_Count	3
64510	Total_Formal_Charge	0
120738	Tautomer_Count	1
83535	Hydrogen_Bond_Acceptor_Count	7
70789955	Defined_Bond_Stereo_Count	0
95070	TPSA	66.4
14416477	Structure_Complexity	531
38350	Isotope_Atom_Count	0
78170	Total_Formal_Charge	0
20578	TPSA	38.3
52943962	Exact_Mass	274.168127949
73902	Undefined_Atom_Stereo_Count	0
25015692	Undefined_Bond_Stereo_Count	0
99930	Total_Formal_Charge	0
3653	Hydrogen_Bond_Acceptor_Count	4
63093	Tautomer_Count	1
130659	Total_Formal_Charge	0
62572	Rotatable_Bond_Count	4
5320	Hydrogen_Bond_Donor_Count	2
60196385	Undefined_Bond_Stereo_Count	0
11488817	XLogP3-AA	2.7
3279	Rotatable_Bond_Count	9
3263	Undefined_Bond_Stereo_Count	0
54136224	TPSA	41.8
8018	Mono_Isotopic_Weight	75.068413911
129847313	Mono_Isotopic_Weight	381.19400834
7165	Rotatable_Bond_Count	3
9568613	Structure_Complexity	453
7105	Exact_Mass	221.084063974
522105	Isotope_Atom_Count	0
88481084	Undefined_Bond_Stereo_Count	1
5526	Covalent_Unit_Count	1
9046	Structure_Complexity	613
81	Undefined_Bond_Stereo_Count	0
4426	Rotatable_Bond_Count	4
11700495	TPSA	107
69946325	Exact_Mass	185.10519334
71342117	Defined_Bond_Stereo_Count	0
69631	TPSA	70.1
24978538	Defined_Bond_Stereo_Count	0
6440764	Molecular_Weight	574.3
9973981	TPSA	21.7
58460047	Isotope_Atom_Count	0
70863	Exact_Mass	311.1652068
2849	Rotatable_Bond_Count	11
21319	Hydrogen_Bond_Acceptor_Count	8
15273943	XLogP3-AA	1.4
46906035	Defined_Bond_Stereo_Count	0
34173590	Covalent_Unit_Count	1
448577	TPSA	87.5
550525	Defined_Bond_Stereo_Count	0
102614	Undefined_Atom_Stereo_Count	1
23676225	Structure_Complexity	682
16211656	Exact_Mass	235.9804853
13810419	Structure_Complexity	161
950480	Undefined_Atom_Stereo_Count	0
91845299	Non-hydrogen_Atom_Count	23
14809442	Structure_Complexity	102
69885	Covalent_Unit_Count	1
55285488	Isotope_Atom_Count	0
159470	Undefined_Atom_Stereo_Count	0
11522448	Isotope_Atom_Count	0
165611944	Structure_Complexity	111
5351560	Exact_Mass	1182.50943272
21248212	Undefined_Atom_Stereo_Count	0
8413	TPSA	52
17187	Mono_Isotopic_Weight	492.280464
68681268	Rotatable_Bond_Count	7
135509147	TPSA	248
159384	Rotatable_Bond_Count	0
95652	Undefined_Atom_Stereo_Count	1
5224	Defined_Bond_Stereo_Count	0
26133	Structure_Complexity	817
50888	Non-hydrogen_Atom_Count	24
14537	Rotatable_Bond_Count	0
66965363	Undefined_Atom_Stereo_Count	0
7809	Hydrogen_Bond_Acceptor_Count	0
11457	Non-hydrogen_Atom_Count	10
9548889	Exact_Mass	305.033937
11402147	Rotatable_Bond_Count	5
31903	Structure_Complexity	376
131744	Total_Formal_Charge	0
6917698	Exact_Mass	465.1830623
63022	Rotatable_Bond_Count	3
137295283	Mono_Isotopic_Weight	690.11624602
443041	Exact_Mass	324.98845
6476333	Tautomer_Count	288
904	Covalent_Unit_Count	1
123653016	Molecular_Weight	98.14
439278	Tautomer_Count	1
46943323	Hydrogen_Bond_Acceptor_Count	6
150679	Isotope_Atom_Count	0
10027822	Hydrogen_Bond_Donor_Count	2
90707288	TPSA	26
83814961	Non-hydrogen_Atom_Count	8
11522448	Mono_Isotopic_Weight	310.1369878
191468	Covalent_Unit_Count	1
94242	Hydrogen_Bond_Donor_Count	0
9821383	Exact_Mass	383.20563565
70848	Undefined_Atom_Stereo_Count	0
21584147	Covalent_Unit_Count	1
71583051	Structure_Complexity	614
445318	Non-hydrogen_Atom_Count	20
23565	Molecular_Weight	403.5
77912	TPSA	83
817096	Covalent_Unit_Count	1
5288783	Mono_Isotopic_Weight	412.29774513
216385	Structure_Complexity	467
12451640	Covalent_Unit_Count	1
59966656	Non-hydrogen_Atom_Count	30
12563868	Total_Formal_Charge	0
7072	Undefined_Atom_Stereo_Count	0
5459220	Total_Formal_Charge	0
57265913	Molecular_Weight	112.17
57229116	Undefined_Bond_Stereo_Count	0
6316	TPSA	78.1
62660	TPSA	26.3
176595	Exact_Mass	616.04674
16212118	Exact_Mass	320.20999276
54584753	Isotope_Atom_Count	0
4808	XLogP3-AA	7.4
10334852	Exact_Mass	298.09872823
14410	Covalent_Unit_Count	1
13804280	Isotope_Atom_Count	0
129645691	Covalent_Unit_Count	2
558359	Undefined_Atom_Stereo_Count	1
54732122	TPSA	83.8
135977933	Hydrogen_Bond_Acceptor_Count	0
3763	Exact_Mass	183.9714332
23649154	TPSA	56.5
3548422	Isotope_Atom_Count	0
22157803	Total_Formal_Charge	0
59638	Mono_Isotopic_Weight	309.278012748
5352728	Non-hydrogen_Atom_Count	10
55445	Structure_Complexity	207
5790	Hydrogen_Bond_Donor_Count	3
11509	XLogP3-AA	1.2
543706	Hydrogen_Bond_Donor_Count	1
90701	Undefined_Bond_Stereo_Count	0
23683747	Molecular_Weight	201.24
16272	Mono_Isotopic_Weight	180.95271
95483	Undefined_Atom_Stereo_Count	1
303	Molecular_Weight	408.6
57871279	Non-hydrogen_Atom_Count	8
11509958	Non-hydrogen_Atom_Count	25
21720742	XLogP3-AA	0.7
10261065	Mono_Isotopic_Weight	110.109550447
445858	Covalent_Unit_Count	1
53318409	Isotope_Atom_Count	0
4978638	Defined_Bond_Stereo_Count	0
54031007	Undefined_Bond_Stereo_Count	0
5710148	Tautomer_Count	1
6289	Structure_Complexity	516
19350299	Exact_Mass	152.99182081
40605	Hydrogen_Bond_Acceptor_Count	8
19897050	Exact_Mass	114.068079557
135403657	Molecular_Weight	522.20
228006	Undefined_Atom_Stereo_Count	1
7791	Total_Formal_Charge	0
5288725	Undefined_Atom_Stereo_Count	0
19283	Hydrogen_Bond_Donor_Count	0
12358803	Isotope_Atom_Count	0
65388	TPSA	68.4
74754	Structure_Complexity	396
443933	XLogP3-AA	4.9
136504	Structure_Complexity	50
19080487	Exact_Mass	98.073164938
123678021	Total_Formal_Charge	0
54767229	Hydrogen_Bond_Acceptor_Count	5
10492	Rotatable_Bond_Count	0
2358	Tautomer_Count	3
126969105	Rotatable_Bond_Count	5
15660	Exact_Mass	210.209598838
4567175	TPSA	31.4
11062312	XLogP3-AA	1.1
42163	Rotatable_Bond_Count	6
66793	Covalent_Unit_Count	1
79876409	TPSA	26
479	Structure_Complexity	284
102372243	Mono_Isotopic_Weight	416.32904526
123239	TPSA	44.4
731361	Mono_Isotopic_Weight	315.14053348
67448671	Molecular_Weight	235.28
3878721	TPSA	176
636403	TPSA	118
124174523	Isotope_Atom_Count	0
76974846	Defined_Atom_Stereo_Count	2
10643636	Covalent_Unit_Count	1
69777941	Undefined_Bond_Stereo_Count	0
6058	Defined_Bond_Stereo_Count	0
984355	Total_Formal_Charge	0
76228	Defined_Bond_Stereo_Count	0
21954272	Structure_Complexity	30.9
440121	Undefined_Bond_Stereo_Count	0
105145	Mono_Isotopic_Weight	68.92557
7566942	Mono_Isotopic_Weight	342.11621151
27882	Hydrogen_Bond_Acceptor_Count	2
24680	TPSA	17.1
14379227	Defined_Atom_Stereo_Count	0
5367854	Total_Formal_Charge	0
2893	Molecular_Weight	276.4
72200409	Structure_Complexity	877
5702546	Defined_Atom_Stereo_Count	8
74576	Hydrogen_Bond_Donor_Count	0
11915	Covalent_Unit_Count	1
20485906	Non-hydrogen_Atom_Count	7
11948	Rotatable_Bond_Count	2
10307909	Structure_Complexity	219
133268492	Exact_Mass	733.52411623
94412	XLogP3-AA	5.6
2734180	Hydrogen_Bond_Acceptor_Count	5
19816560	Undefined_Atom_Stereo_Count	1
216261	XLogP3-AA	4.7
61828	Undefined_Atom_Stereo_Count	0
60814	TPSA	76.2
121233058	Defined_Bond_Stereo_Count	0
166558989	Non-hydrogen_Atom_Count	8
2987927	Defined_Atom_Stereo_Count	0
21903575	Undefined_Bond_Stereo_Count	0
82650926	Total_Formal_Charge	0
63403	Defined_Atom_Stereo_Count	0
78284	Defined_Bond_Stereo_Count	0
21635382	Undefined_Bond_Stereo_Count	0
19708414	Defined_Atom_Stereo_Count	0
3616	XLogP3-AA	0.3
4412	Exact_Mass	743.07545344
61384	Non-hydrogen_Atom_Count	16
135921797	Undefined_Bond_Stereo_Count	0
529281	Structure_Complexity	109
2724141	Undefined_Bond_Stereo_Count	0
64033	Hydrogen_Bond_Acceptor_Count	5
4228493	Undefined_Atom_Stereo_Count	0
3073	TPSA	35.5
129307545	Total_Formal_Charge	0
23723027	Hydrogen_Bond_Donor_Count	0
442113	Exact_Mass	262.13174244
138752609	Total_Formal_Charge	0
3073	XLogP3	0.6
16	Isotope_Atom_Count	0
67532	Mono_Isotopic_Weight	336.89492
21909502	Non-hydrogen_Atom_Count	18
11545958	Defined_Atom_Stereo_Count	0
5494414	Structure_Complexity	454
185460	Defined_Bond_Stereo_Count	0
58657603	XLogP3-AA	3.9
19773393	Covalent_Unit_Count	1
60196328	Total_Formal_Charge	0
402875	Isotope_Atom_Count	0
99271	Covalent_Unit_Count	1
15981397	Hydrogen_Bond_Acceptor_Count	5
12540922	Total_Formal_Charge	0
6433695	Defined_Atom_Stereo_Count	0
124224930	Undefined_Bond_Stereo_Count	0
27944	Defined_Atom_Stereo_Count	1
133268473	Isotope_Atom_Count	0
8416	Total_Formal_Charge	0
58265608	Mono_Isotopic_Weight	100.100048391
47811	Non-hydrogen_Atom_Count	22
9856149	Defined_Bond_Stereo_Count	1
4005	Rotatable_Bond_Count	5
45357796	Undefined_Atom_Stereo_Count	0
79966	Non-hydrogen_Atom_Count	13
36560	Defined_Atom_Stereo_Count	0
135491728	Hydrogen_Bond_Donor_Count	1
5003096	Rotatable_Bond_Count	3
77813014	Non-hydrogen_Atom_Count	8
29025	TPSA	17.1
4135	XLogP3-AA	7.1
44607530	Molecular_Weight	495.0
90935301	Defined_Bond_Stereo_Count	0
325	Hydrogen_Bond_Donor_Count	1
6433101	Isotope_Atom_Count	0
6431771	Molecular_Weight	343.32
18944758	Hydrogen_Bond_Acceptor_Count	6
472335	Non-hydrogen_Atom_Count	29
129716995	XLogP3-AA	8.7
139352	Hydrogen_Bond_Acceptor_Count	3
20710	Tautomer_Count	1
87355672	Structure_Complexity	93.8
133562729	Mono_Isotopic_Weight	1084.47265329
8291	Exact_Mass	264.05514589
51029965	Rotatable_Bond_Count	7
1123	Rotatable_Bond_Count	2
6214	Isotope_Atom_Count	0
11768539	Tautomer_Count	1
3955344	Rotatable_Bond_Count	1
136091	Defined_Bond_Stereo_Count	0
9971980	Defined_Atom_Stereo_Count	0
40500	Tautomer_Count	1
8453	Structure_Complexity	63.2
46839993	Covalent_Unit_Count	1
6950274	Structure_Complexity	270
534132	Mono_Isotopic_Weight	80.062600255
40344	TPSA	52.9
59018485	Hydrogen_Bond_Donor_Count	0
460602	Molecular_Weight	495.6
10219406	XLogP3-AA	1.2
16015	Structure_Complexity	724
535722	Hydrogen_Bond_Acceptor_Count	1
15178985	Covalent_Unit_Count	1
657055	Exact_Mass	180.06338810
12991988	Exact_Mass	396.06121838
71853	Hydrogen_Bond_Acceptor_Count	47
2794133	TPSA	121
12295520	Undefined_Atom_Stereo_Count	0
49007	Defined_Atom_Stereo_Count	0
90184753	Hydrogen_Bond_Acceptor_Count	3
57249823	Structure_Complexity	148
60196353	XLogP3-AA	5.1
51039094	Defined_Bond_Stereo_Count	0
71453618	Covalent_Unit_Count	1
67184	TPSA	37.4
23566493	Isotope_Atom_Count	0
11333	Mono_Isotopic_Weight	342.11621151
137967	Rotatable_Bond_Count	0
3083	Non-hydrogen_Atom_Count	37
11198626	Hydrogen_Bond_Acceptor_Count	4
751341	Hydrogen_Bond_Acceptor_Count	4
15294	Exact_Mass	164.047344113
131750798	Molecular_Weight	494.4
13785328	Structure_Complexity	590
6330188	Undefined_Atom_Stereo_Count	0
15617	Undefined_Bond_Stereo_Count	0
5362123	Molecular_Weight	460.9
57399429	Undefined_Atom_Stereo_Count	0
76965007	Structure_Complexity	506
535856	TPSA	25.8
21934982	Mono_Isotopic_Weight	141.115364102
19254	TPSA	75.3
122188	Undefined_Bond_Stereo_Count	0
6530	Total_Formal_Charge	0
21021867	Isotope_Atom_Count	0
10960	Covalent_Unit_Count	1
92128	Isotope_Atom_Count	0
6456014	Mono_Isotopic_Weight	433.20015635
54760133	Hydrogen_Bond_Acceptor_Count	7
5274428	Hydrogen_Bond_Donor_Count	2
76957235	Structure_Complexity	593
79332	TPSA	35.5
6440459	Rotatable_Bond_Count	18
182420	Defined_Bond_Stereo_Count	0
135624041	Defined_Bond_Stereo_Count	0
85032	XLogP3-AA	1.4
11859	Covalent_Unit_Count	1
10017019	Isotope_Atom_Count	0
53322382	Defined_Bond_Stereo_Count	0
5460185	Hydrogen_Bond_Acceptor_Count	5
23247721	Covalent_Unit_Count	1
5252481	Exact_Mass	103.063328530
54311720	Hydrogen_Bond_Donor_Count	1
16129759	Undefined_Bond_Stereo_Count	0
129872	TPSA	6.5
136880	Undefined_Bond_Stereo_Count	0
15485370	Undefined_Bond_Stereo_Count	0
157849	Isotope_Atom_Count	0
83123	Non-hydrogen_Atom_Count	14
54583964	XLogP3-AA	3.9
54066	Mono_Isotopic_Weight	250.168127949
88365	Undefined_Atom_Stereo_Count	0
21906940	Structure_Complexity	510
135507761	Defined_Bond_Stereo_Count	2
4996382	Isotope_Atom_Count	0
447021	Molecular_Weight	339.4
561488	Total_Formal_Charge	0
5353422	Hydrogen_Bond_Donor_Count	1
5460048	Structure_Complexity	133
155465	Structure_Complexity	160
91447	Undefined_Bond_Stereo_Count	0
9807600	Rotatable_Bond_Count	7
53434235	Defined_Atom_Stereo_Count	0
86597	Hydrogen_Bond_Donor_Count	0
18591	Covalent_Unit_Count	1
5228468	Non-hydrogen_Atom_Count	10
21865526	Rotatable_Bond_Count	2
20562996	Undefined_Bond_Stereo_Count	0
19962896	Mono_Isotopic_Weight	96.068748264
4711	Undefined_Bond_Stereo_Count	0
573117	Structure_Complexity	94.4
14320623	XLogP3-AA	2
21635253	Rotatable_Bond_Count	4
356101	Mono_Isotopic_Weight	113.058911855
7047	Non-hydrogen_Atom_Count	10
547995	Exact_Mass	102.115698455
55466	Undefined_Atom_Stereo_Count	0
90486	Hydrogen_Bond_Donor_Count	0
5198	Hydrogen_Bond_Donor_Count	1
53401340	Hydrogen_Bond_Acceptor_Count	3
54726191	Defined_Bond_Stereo_Count	0
21520336	Non-hydrogen_Atom_Count	21
68363	Covalent_Unit_Count	1
681809	Defined_Bond_Stereo_Count	0
12706145	Mono_Isotopic_Weight	112.088815002
15664	Structure_Complexity	161
71309905	Non-hydrogen_Atom_Count	12
67210	Mono_Isotopic_Weight	298.02258592
613365	Total_Formal_Charge	0
69109362	Hydrogen_Bond_Acceptor_Count	3
45039680	Hydrogen_Bond_Acceptor_Count	11
67108443	Molecular_Weight	341.9
3225	Defined_Atom_Stereo_Count	0
2735122	Molecular_Weight	84.116
134826704	Hydrogen_Bond_Acceptor_Count	17
9603	Mono_Isotopic_Weight	110.053178385
186114	Non-hydrogen_Atom_Count	6
7707	Total_Formal_Charge	0
15950514	Total_Formal_Charge	0
154474487	Undefined_Bond_Stereo_Count	0
57402175	Covalent_Unit_Count	1
10942371	Covalent_Unit_Count	1
74453	Undefined_Bond_Stereo_Count	0
4112	Non-hydrogen_Atom_Count	33
73852	Non-hydrogen_Atom_Count	17
4097	Undefined_Bond_Stereo_Count	0
154256	Tautomer_Count	15
11476710	Mono_Isotopic_Weight	460.1180685
12244	Undefined_Bond_Stereo_Count	0
21679899	Hydrogen_Bond_Acceptor_Count	1
91593552	Structure_Complexity	70.8
45484851	XLogP3-AA	5.1
71366347	Mono_Isotopic_Weight	86.036779430
87671446	Exact_Mass	112.027277375
79856	Exact_Mass	166.062994177
87280891	Undefined_Bond_Stereo_Count	0
23599502	Undefined_Bond_Stereo_Count	0
156432753	Hydrogen_Bond_Donor_Count	3
4306558	Exact_Mass	667.19365419
9423	Molecular_Weight	254.37
22062700	Defined_Bond_Stereo_Count	0
637858	Defined_Bond_Stereo_Count	1
54582513	XLogP3-AA	4.1
13011	Exact_Mass	142.0185425
15510	Covalent_Unit_Count	1
11051611	Exact_Mass	113.084063974
446611	Molecular_Weight	180.16
94180	XLogP3-AA	2
107169	Hydrogen_Bond_Acceptor_Count	1
6315	Hydrogen_Bond_Donor_Count	2
6249	Covalent_Unit_Count	1
91272	Covalent_Unit_Count	1
7048634	Mono_Isotopic_Weight	395.03715355
141169621	Structure_Complexity	81.8
441199	Undefined_Bond_Stereo_Count	0
447626	Defined_Bond_Stereo_Count	0
5231297	Molecular_Weight	337.4
8222	Structure_Complexity	132
29845	XLogP3	2.7
8080	Undefined_Bond_Stereo_Count	0
12228202	Rotatable_Bond_Count	0
68384915	TPSA	57.2
2766305	Total_Formal_Charge	0
445969	Defined_Bond_Stereo_Count	0
10027781	Hydrogen_Bond_Donor_Count	4
115011062	Mono_Isotopic_Weight	114.068079557
524270	Defined_Bond_Stereo_Count	0
97770	Molecular_Weight	115.17
40632	Hydrogen_Bond_Donor_Count	0
20388	Structure_Complexity	585
83872174	TPSA	53.2
66868	Defined_Atom_Stereo_Count	0
105146	Rotatable_Bond_Count	0
28343	Undefined_Bond_Stereo_Count	0
97135	Defined_Bond_Stereo_Count	0
824060	Covalent_Unit_Count	1
87485	Tautomer_Count	1
6971016	Undefined_Bond_Stereo_Count	0
121444434	Molecular_Weight	109.17
93171	Hydrogen_Bond_Donor_Count	0
93130	Defined_Bond_Stereo_Count	0
96396	Undefined_Atom_Stereo_Count	0
67242154	Non-hydrogen_Atom_Count	8
19933060	TPSA	34.1
71304	Hydrogen_Bond_Acceptor_Count	4
18048	Mono_Isotopic_Weight	178.135765193
44401271	Covalent_Unit_Count	1
16322	Defined_Atom_Stereo_Count	0
87428	Non-hydrogen_Atom_Count	15
523251	XLogP3-AA	1.4
56339	Undefined_Atom_Stereo_Count	0
7200	Defined_Atom_Stereo_Count	0
71533242	Structure_Complexity	753
444614	Undefined_Atom_Stereo_Count	1
657238	Exact_Mass	402.20423867
78422653	Hydrogen_Bond_Acceptor_Count	3
44295739	Hydrogen_Bond_Acceptor_Count	8
3306	TPSA	52.5
73949	Total_Formal_Charge	0
963424	Hydrogen_Bond_Donor_Count	1
2911	Undefined_Atom_Stereo_Count	1
35810	Hydrogen_Bond_Acceptor_Count	1
53775252	Non-hydrogen_Atom_Count	8
1942902	TPSA	69.1
11499204	Undefined_Bond_Stereo_Count	0
16180	Structure_Complexity	189
16564	XLogP3-AA	0.2
776222	Mono_Isotopic_Weight	182.084398327
53708958	Exact_Mass	114.068079557
69190	Non-hydrogen_Atom_Count	12
18608	Rotatable_Bond_Count	5
9577	Total_Formal_Charge	0
129	Defined_Atom_Stereo_Count	0
5780	Structure_Complexity	105
45806	Rotatable_Bond_Count	8
76964582	Isotope_Atom_Count	0
591873	Isotope_Atom_Count	0
13166770	XLogP3-AA	1.5
53326688	XLogP3-AA	5.3
55802	Non-hydrogen_Atom_Count	16
15412	Defined_Atom_Stereo_Count	0
142796	Structure_Complexity	67.7
11417	Mono_Isotopic_Weight	107.073499291
107561	Tautomer_Count	8
18764599	Exact_Mass	116.083729621
20749	TPSA	0
88794	Total_Formal_Charge	0
13849	Total_Formal_Charge	0
9650	Tautomer_Count	3
10997868	Defined_Bond_Stereo_Count	0
16050553	Non-hydrogen_Atom_Count	28
6455792	Non-hydrogen_Atom_Count	8
443311	Defined_Bond_Stereo_Count	0
1585857	Isotope_Atom_Count	0
9808333	Exact_Mass	303.14705815
6632	Undefined_Atom_Stereo_Count	2
85570	Covalent_Unit_Count	1
6993773	Rotatable_Bond_Count	2
20660672	Covalent_Unit_Count	1
21158560	Undefined_Atom_Stereo_Count	0
4195974	Undefined_Bond_Stereo_Count	0
135398599	Undefined_Atom_Stereo_Count	0
28417	TPSA	46.3
13968540	Isotope_Atom_Count	0
521491	Covalent_Unit_Count	1
58390642	Non-hydrogen_Atom_Count	8
535813	Covalent_Unit_Count	1
134085	Undefined_Atom_Stereo_Count	1
14109	Covalent_Unit_Count	1
137720	Hydrogen_Bond_Acceptor_Count	2
451188	Defined_Bond_Stereo_Count	0
3073200	Structure_Complexity	421
23236224	TPSA	40.9
549405	Molecular_Weight	111.14
71587953	Isotope_Atom_Count	0
205954	TPSA	211
12149091	Mono_Isotopic_Weight	556.381749540
16699	XLogP3-AA	0.3
171409	Non-hydrogen_Atom_Count	85
17572266	Covalent_Unit_Count	1
161218	TPSA	131
27435	Rotatable_Bond_Count	3
4691	XLogP3-AA	3.5
22932	Undefined_Bond_Stereo_Count	0
135415868	Molecular_Weight	459.5
71713793	Hydrogen_Bond_Acceptor_Count	4
55473	Covalent_Unit_Count	1
465585	Molecular_Weight	582.7
53320294	Total_Formal_Charge	0
45039617	Exact_Mass	709.2706908
12360	Undefined_Bond_Stereo_Count	0
101205708	Rotatable_Bond_Count	62
4399042	Hydrogen_Bond_Acceptor_Count	2
11476710	Defined_Bond_Stereo_Count	0
34676239	Defined_Atom_Stereo_Count	1
22038	Undefined_Atom_Stereo_Count	2
6048	Rotatable_Bond_Count	2
88490	Defined_Bond_Stereo_Count	0
2846928	Structure_Complexity	230
53705537	Defined_Atom_Stereo_Count	0
54066875	Rotatable_Bond_Count	3
72823181	Covalent_Unit_Count	1
229932	Hydrogen_Bond_Donor_Count	1
13531445	Exact_Mass	101.047678466
9547919	Isotope_Atom_Count	0
389521	Isotope_Atom_Count	0
135487856	Hydrogen_Bond_Donor_Count	2
93089	Mono_Isotopic_Weight	412.24947478
58233	Total_Formal_Charge	0
22034820	Hydrogen_Bond_Acceptor_Count	2
80507	Undefined_Bond_Stereo_Count	0
11683556	Defined_Atom_Stereo_Count	0
10322586	Molecular_Weight	472.6
13356397	Total_Formal_Charge	0
65576	Isotope_Atom_Count	0
69785	Mono_Isotopic_Weight	498.9534782
3009363	Covalent_Unit_Count	1
129009909	Mono_Isotopic_Weight	665.30474055
3614092	Hydrogen_Bond_Acceptor_Count	2
4068	Structure_Complexity	801
226205	Isotope_Atom_Count	0
17778639	Defined_Atom_Stereo_Count	0
40466858	Molecular_Weight	348.4
6442439	Covalent_Unit_Count	1
23456	Molecular_Weight	246.30
31405	TPSA	20.2
2649	Undefined_Bond_Stereo_Count	0
107802	Covalent_Unit_Count	1
465951	Hydrogen_Bond_Donor_Count	1
67465	Hydrogen_Bond_Donor_Count	1
36976	TPSA	108
13138140	Mono_Isotopic_Weight	612.07668989
120826	XLogP3-AA	1.1
551188	Undefined_Bond_Stereo_Count	0
3744660	Undefined_Bond_Stereo_Count	0
16129690	Defined_Bond_Stereo_Count	0
89155	XLogP3-AA	2.7
5324776	Molecular_Weight	98.10
66384	Hydrogen_Bond_Donor_Count	0
7078557	Defined_Bond_Stereo_Count	0
134497	Structure_Complexity	179
5281104	TPSA	60.7
54307	Tautomer_Count	5
7451	Hydrogen_Bond_Acceptor_Count	2
8395	Structure_Complexity	492
1490	XLogP3	3.9
441130	Mono_Isotopic_Weight	383.15149208
688091	Defined_Atom_Stereo_Count	0
8528	Undefined_Atom_Stereo_Count	0
411	Defined_Atom_Stereo_Count	0
6971097	Exact_Mass	180.06338810
6440900	Defined_Bond_Stereo_Count	1
123357638	Hydrogen_Bond_Acceptor_Count	2
10217663	Molecular_Weight	491.6
5282414	Covalent_Unit_Count	2
96563	Hydrogen_Bond_Acceptor_Count	8
151090	TPSA	43.8
4486	Tautomer_Count	9
19606581	Total_Formal_Charge	0
8083388	Rotatable_Bond_Count	4
14359030	Hydrogen_Bond_Donor_Count	0
11566	Mono_Isotopic_Weight	114.104465066
71191	Isotope_Atom_Count	0
87190	Undefined_Atom_Stereo_Count	0
9869929	Defined_Atom_Stereo_Count	1
90530	Covalent_Unit_Count	1
123286573	XLogP3-AA	0.1
9852519	Undefined_Bond_Stereo_Count	0
90695524	Structure_Complexity	124
70291	Structure_Complexity	293
164702	Molecular_Weight	100.12
10478	Mono_Isotopic_Weight	152.90755
91027594	TPSA	0
11520	Isotope_Atom_Count	0
78205	Covalent_Unit_Count	1
2378095	Covalent_Unit_Count	1
87171	Defined_Atom_Stereo_Count	0
519726	TPSA	41.6
14359030	Defined_Bond_Stereo_Count	0
721938	Exact_Mass	299.01571
63019	Hydrogen_Bond_Donor_Count	1
9539	Hydrogen_Bond_Donor_Count	6
139242912	Non-hydrogen_Atom_Count	57
1548885	TPSA	73.6
13401682	Rotatable_Bond_Count	3
74440	Defined_Bond_Stereo_Count	0
74563	Covalent_Unit_Count	1
53674	Defined_Atom_Stereo_Count	0
17748	Exact_Mass	207.0087061
11964036	Structure_Complexity	1010
6338	Hydrogen_Bond_Donor_Count	0
104610	Total_Formal_Charge	0
18924037	Covalent_Unit_Count	1
12305763	Exact_Mass	418.12638228
71080	Exact_Mass	89.047678466
7342	Structure_Complexity	76.6
44809	Total_Formal_Charge	0
8433	Mono_Isotopic_Weight	224.083729621
11319223	Isotope_Atom_Count	0
13015037	Hydrogen_Bond_Acceptor_Count	6
702695	Molecular_Weight	183.12
636345	Mono_Isotopic_Weight	880.1479789
668744	Undefined_Atom_Stereo_Count	0
197835	Rotatable_Bond_Count	3
139833631	Exact_Mass	107.048347172
5367222	Undefined_Atom_Stereo_Count	0
10173277	Undefined_Bond_Stereo_Count	0
44318267	Rotatable_Bond_Count	6
133952	Isotope_Atom_Count	0
9571009	Exact_Mass	222.06742811
79056	Defined_Bond_Stereo_Count	0
21445949	Hydrogen_Bond_Donor_Count	2
14794988	Defined_Bond_Stereo_Count	0
13512	Defined_Bond_Stereo_Count	0
8800	Defined_Bond_Stereo_Count	0
81423	Defined_Bond_Stereo_Count	0
57782	Undefined_Bond_Stereo_Count	0
248703	Total_Formal_Charge	0
688691	XLogP3-AA	2
21359349	Mono_Isotopic_Weight	155.142041939
18442682	Isotope_Atom_Count	0
2422	Covalent_Unit_Count	1
8697	Covalent_Unit_Count	1
71249967	Covalent_Unit_Count	1
6509808	TPSA	135
643203	Hydrogen_Bond_Donor_Count	0
98055	XLogP3-AA	4
520888	Undefined_Atom_Stereo_Count	0
57358782	Undefined_Atom_Stereo_Count	0
5284579	Isotope_Atom_Count	0
1201445	Undefined_Bond_Stereo_Count	0
134688669	Exact_Mass	628.26723285
11948807	Undefined_Atom_Stereo_Count	0
5280567	Undefined_Bond_Stereo_Count	0
20839131	Non-hydrogen_Atom_Count	16
98043897	TPSA	60.7
15480	Total_Formal_Charge	0
10000989	Undefined_Atom_Stereo_Count	0
136502	Exact_Mass	96.068748264
11358	XLogP3	2.9
122706529	Defined_Bond_Stereo_Count	0
2762927	Isotope_Atom_Count	0
6331	Non-hydrogen_Atom_Count	1
30175	Hydrogen_Bond_Donor_Count	0
640096	Undefined_Atom_Stereo_Count	0
306049	Mono_Isotopic_Weight	222.0811428
116225458	Exact_Mass	112.088815002
69571381	Defined_Atom_Stereo_Count	0
1028	Total_Formal_Charge	0
129789506	Total_Formal_Charge	0
10545864	Defined_Bond_Stereo_Count	0
31373	Defined_Atom_Stereo_Count	0
129652160	Structure_Complexity	233
23465004	Hydrogen_Bond_Donor_Count	1
5799	Molecular_Weight	204.23
6668	Isotope_Atom_Count	0
6252910	Hydrogen_Bond_Acceptor_Count	8
25262965	Undefined_Bond_Stereo_Count	0
15950518	Isotope_Atom_Count	0
2757748	Non-hydrogen_Atom_Count	12
65492	Defined_Atom_Stereo_Count	1
62553	Total_Formal_Charge	0
17019	Mono_Isotopic_Weight	270.00441
21207	Molecular_Weight	299.28
57183917	Exact_Mass	111.032028402
745	Hydrogen_Bond_Acceptor_Count	8
30065	Mono_Isotopic_Weight	261.172878976
42512	Molecular_Weight	321.5
20448997	Undefined_Atom_Stereo_Count	2
71587637	Isotope_Atom_Count	1
142464198	Molecular_Weight	112.17
146367450	Isotope_Atom_Count	0
135433604	Isotope_Atom_Count	0
11060	Rotatable_Bond_Count	9
4650	Exact_Mass	108.021129366
24771824	Isotope_Atom_Count	0
20060494	Undefined_Bond_Stereo_Count	0
66599893	Mono_Isotopic_Weight	453.20524173
12008703	Mono_Isotopic_Weight	105.057849228
5238474	Non-hydrogen_Atom_Count	20
54576693	Non-hydrogen_Atom_Count	28
6918580	Covalent_Unit_Count	3
54350955	Undefined_Bond_Stereo_Count	0
10771	Molecular_Weight	248.71
117059122	Rotatable_Bond_Count	8
6887	Non-hydrogen_Atom_Count	15
6854	Total_Formal_Charge	0
135412609	Undefined_Atom_Stereo_Count	1
24290	Undefined_Atom_Stereo_Count	0
705978	Isotope_Atom_Count	0
12681848	Isotope_Atom_Count	0
11423561	Molecular_Weight	97.12
225710	Undefined_Bond_Stereo_Count	0
10321331	Structure_Complexity	220
57229732	Non-hydrogen_Atom_Count	8
3037582	Total_Formal_Charge	0
59709	Covalent_Unit_Count	5
53846422	Non-hydrogen_Atom_Count	30
627386	Covalent_Unit_Count	1
91419082	TPSA	9.2
3055174	XLogP3	3
1549065	TPSA	77.6
9809	Total_Formal_Charge	0
45358001	Total_Formal_Charge	0
131664136	Structure_Complexity	2660
65092	XLogP3-AA	0.6
9571062	TPSA	132
138971591	Exact_Mass	108.057514874
101610369	Total_Formal_Charge	0
10833	Total_Formal_Charge	0
224392	Hydrogen_Bond_Donor_Count	1
21162823	Hydrogen_Bond_Donor_Count	2
72015	Mono_Isotopic_Weight	339.12527733
71612	Mono_Isotopic_Weight	410.1527835
31388	Mono_Isotopic_Weight	204.9964274
91746591	Covalent_Unit_Count	1
11768576	Covalent_Unit_Count	1
12002774	Defined_Bond_Stereo_Count	0
54697325	Defined_Atom_Stereo_Count	4
53324128	Exact_Mass	446.14642732
439233	Structure_Complexity	202
82197	Tautomer_Count	2
444746	Undefined_Bond_Stereo_Count	0
91663255	Isotope_Atom_Count	0
79488	Hydrogen_Bond_Donor_Count	0
65600	Mono_Isotopic_Weight	293.177964357
104276777	TPSA	9.2
2723755	Hydrogen_Bond_Acceptor_Count	2
20056627	Rotatable_Bond_Count	6
162883454	Total_Formal_Charge	0
40549	Undefined_Bond_Stereo_Count	0
58863022	Mono_Isotopic_Weight	342.11621151
5281033	Isotope_Atom_Count	0
70016	Structure_Complexity	179
24800211	Non-hydrogen_Atom_Count	25
3436	Defined_Bond_Stereo_Count	0
9852519	Defined_Atom_Stereo_Count	0
3084250	Total_Formal_Charge	0
11476467	Undefined_Bond_Stereo_Count	0
3058221	TPSA	108
11957491	Total_Formal_Charge	0
9109	Covalent_Unit_Count	1
15278	Mono_Isotopic_Weight	164.083729621
13165569	Structure_Complexity	103
6539985	Defined_Atom_Stereo_Count	0
21922278	Non-hydrogen_Atom_Count	7
25271790	Hydrogen_Bond_Acceptor_Count	5
6919175	Rotatable_Bond_Count	3
14819	Defined_Bond_Stereo_Count	0
135421876	XLogP3-AA	0.2
76220109	XLogP3-AA	0.2
722799	Undefined_Atom_Stereo_Count	0
10186986	TPSA	105
80037	Total_Formal_Charge	0
3933	Mono_Isotopic_Weight	649.7822
519559	Isotope_Atom_Count	0
181674	Covalent_Unit_Count	1
4278	Non-hydrogen_Atom_Count	12
87661	Tautomer_Count	1
15788110	Hydrogen_Bond_Donor_Count	3
3856780	Exact_Mass	231.02800565
13249050	Undefined_Atom_Stereo_Count	0
15731	Isotope_Atom_Count	0
233706	Defined_Atom_Stereo_Count	2
18698713	Total_Formal_Charge	0
121493082	Hydrogen_Bond_Donor_Count	47
32241	Hydrogen_Bond_Acceptor_Count	0
121877	Undefined_Atom_Stereo_Count	0
3813	Mono_Isotopic_Weight	467.14812078
5487068	Undefined_Bond_Stereo_Count	0
54949	Rotatable_Bond_Count	11
973938	XLogP3-AA	2
10591878	TPSA	49.8
65953	Undefined_Bond_Stereo_Count	0
72200722	Undefined_Atom_Stereo_Count	0
3146673	Total_Formal_Charge	0
59296077	Defined_Bond_Stereo_Count	0
135779828	Defined_Atom_Stereo_Count	0
6255	Molecular_Weight	342.30
84598	Exact_Mass	815.4704
14200531	Hydrogen_Bond_Acceptor_Count	3
6918988	Molecular_Weight	293.29
71697	Rotatable_Bond_Count	5
9903853	TPSA	67
77507	Defined_Bond_Stereo_Count	0
444455	Covalent_Unit_Count	1
11527282	Undefined_Bond_Stereo_Count	0
39688	Hydrogen_Bond_Acceptor_Count	6
6473973	Covalent_Unit_Count	1
24290	Defined_Atom_Stereo_Count	0
70684	Total_Formal_Charge	0
49967	Covalent_Unit_Count	1
62398142	Hydrogen_Bond_Donor_Count	1
5318537	Undefined_Atom_Stereo_Count	0
72823952	Undefined_Bond_Stereo_Count	0
12302691	Isotope_Atom_Count	0
7531	Hydrogen_Bond_Acceptor_Count	1
18636	Tautomer_Count	1
9827529	Defined_Atom_Stereo_Count	0
10761920	Undefined_Atom_Stereo_Count	1
9639	Hydrogen_Bond_Donor_Count	0
34127	Mono_Isotopic_Weight	513.99936503
11526038	Molecular_Weight	490.5
165880629	Mono_Isotopic_Weight	110.048012819
71337442	Undefined_Bond_Stereo_Count	0
448071	Undefined_Atom_Stereo_Count	0
58621611	Total_Formal_Charge	0
15709948	Undefined_Atom_Stereo_Count	0
56846240	Undefined_Bond_Stereo_Count	0
24848222	Hydrogen_Bond_Donor_Count	1
90864	Covalent_Unit_Count	1
123237074	Undefined_Bond_Stereo_Count	0
20111	Rotatable_Bond_Count	7
59110799	Defined_Bond_Stereo_Count	0
15561472	Covalent_Unit_Count	1
5362391	Undefined_Bond_Stereo_Count	0
5948958	Hydrogen_Bond_Donor_Count	1
11186829	Defined_Bond_Stereo_Count	0
63720	Defined_Bond_Stereo_Count	0
4678	Exact_Mass	205.13140809
675533	Defined_Bond_Stereo_Count	0
439286	XLogP3-AA	1.1
8168	Isotope_Atom_Count	0
62788	Defined_Bond_Stereo_Count	0
87452348	Total_Formal_Charge	0
47328	Defined_Atom_Stereo_Count	1
71795	Exact_Mass	324.183778013
23427989	XLogP3-AA	9.1
534496	Hydrogen_Bond_Donor_Count	0
21614503	XLogP3-AA	0.6
8270	Defined_Atom_Stereo_Count	3
7571	Non-hydrogen_Atom_Count	17
282471	Isotope_Atom_Count	0
7857	Hydrogen_Bond_Donor_Count	1
201412	Hydrogen_Bond_Donor_Count	6
429571	Hydrogen_Bond_Acceptor_Count	4
25674	Isotope_Atom_Count	0
67184	Tautomer_Count	3
40510	Tautomer_Count	1
77022	TPSA	28.7
5354487	Mono_Isotopic_Weight	85.052763847
73801102	Isotope_Atom_Count	0
21873275	Undefined_Atom_Stereo_Count	0
4284331	Non-hydrogen_Atom_Count	31
23471	TPSA	32.7
85728	Rotatable_Bond_Count	1
119086019	Hydrogen_Bond_Acceptor_Count	4
216325	Hydrogen_Bond_Donor_Count	2
55	Mono_Isotopic_Weight	654.53758147
227244	Tautomer_Count	1
9543216	Hydrogen_Bond_Acceptor_Count	4
15950518	XLogP3-AA	2.2
520148	Exact_Mass	206.130679813
521158	Hydrogen_Bond_Donor_Count	1
5288706	Hydrogen_Bond_Donor_Count	5
5352	Mono_Isotopic_Weight	356.08824374
10964334	Exact_Mass	1388.93119660
49288	Defined_Atom_Stereo_Count	0
91735	TPSA	51.2
71591488	Rotatable_Bond_Count	0
68696	Defined_Atom_Stereo_Count	0
5252031	Defined_Atom_Stereo_Count	0
60602	Undefined_Atom_Stereo_Count	0
73949	Tautomer_Count	2
54175	Defined_Bond_Stereo_Count	0
4362	Structure_Complexity	166
71674	Defined_Atom_Stereo_Count	29
558889	Defined_Bond_Stereo_Count	0
27402	Tautomer_Count	1
5323927	TPSA	25.7
137705128	Hydrogen_Bond_Acceptor_Count	14
45190	Total_Formal_Charge	0
9589475	Defined_Bond_Stereo_Count	1
10313457	Tautomer_Count	1
17244514	Structure_Complexity	57.7
31101	TPSA	118
101497	Total_Formal_Charge	0
3246323	Hydrogen_Bond_Acceptor_Count	7
23000221	Undefined_Atom_Stereo_Count	0
6558	Hydrogen_Bond_Acceptor_Count	1
99010	Isotope_Atom_Count	0
77974	Defined_Bond_Stereo_Count	0
9212	Total_Formal_Charge	0
86739056	XLogP3-AA	3
26310	Exact_Mass	326.0548604
9924495	Defined_Atom_Stereo_Count	0
516871	Hydrogen_Bond_Acceptor_Count	2
441014	Exact_Mass	342.11621151
718862	Undefined_Bond_Stereo_Count	0
129316177	Total_Formal_Charge	0
275196	XLogP3-AA	2.7
13925935	Hydrogen_Bond_Donor_Count	0
8674	Structure_Complexity	527
61286	Defined_Bond_Stereo_Count	0
23683747	Structure_Complexity	299
13356397	Hydrogen_Bond_Donor_Count	0
398592	Exact_Mass	271.18959167
37632	TPSA	46.3
29927142	Hydrogen_Bond_Donor_Count	2
450601	Hydrogen_Bond_Acceptor_Count	4
8340	Exact_Mass	353.12632271
5438	Isotope_Atom_Count	0
688586	Exact_Mass	244.03472857
49858377	Total_Formal_Charge	0
118505252	Defined_Atom_Stereo_Count	0
3356885	Covalent_Unit_Count	3
57371080	Undefined_Bond_Stereo_Count	0
135209752	Defined_Bond_Stereo_Count	0
519726	Defined_Atom_Stereo_Count	0
91194554	Undefined_Bond_Stereo_Count	0
185654	Covalent_Unit_Count	1
33960	XLogP3-AA	3
2721	Isotope_Atom_Count	0
71541098	Exact_Mass	255.0581549
778159	Structure_Complexity	170
448133	Rotatable_Bond_Count	19
6436449	Structure_Complexity	432
123187306	Rotatable_Bond_Count	1
34794	Covalent_Unit_Count	2
644006	Undefined_Bond_Stereo_Count	0
129010364	Structure_Complexity	1220
136585	Tautomer_Count	1
96237	XLogP3	0.2
162955	Molecular_Weight	378.5
79856	Covalent_Unit_Count	1
66776828	Isotope_Atom_Count	0
3667129	Rotatable_Bond_Count	2
81760	Total_Formal_Charge	0
13624042	Molecular_Weight	95.10
23668002	Undefined_Bond_Stereo_Count	0
60196390	Total_Formal_Charge	0
2758223	Exact_Mass	197.9751535
67645	Hydrogen_Bond_Donor_Count	0
83572	Non-hydrogen_Atom_Count	8
57470525	Exact_Mass	112.088815002
10162742	Exact_Mass	478.30562448
520148	XLogP3-AA	3.5
158698	Non-hydrogen_Atom_Count	32
118574	Covalent_Unit_Count	1
351770	Tautomer_Count	2
3609	Hydrogen_Bond_Donor_Count	8
59295994	Covalent_Unit_Count	1
541623	Mono_Isotopic_Weight	117.078978594
122174048	Structure_Complexity	1010
13069	Total_Formal_Charge	0
44590402	Non-hydrogen_Atom_Count	29
453251	Structure_Complexity	346
3017434	Structure_Complexity	72.9
164072	Isotope_Atom_Count	0
57066209	Undefined_Atom_Stereo_Count	0
49865733	XLogP3-AA	3.5
11974	XLogP3-AA	3.2
10321331	Exact_Mass	191.0753733
79919	Molecular_Weight	368.6
53143	TPSA	132
6433118	Isotope_Atom_Count	0
4219798	Molecular_Weight	289.31
536086	Rotatable_Bond_Count	1
44134800	Undefined_Atom_Stereo_Count	0
5708528	Rotatable_Bond_Count	0
61099	Undefined_Atom_Stereo_Count	2
586	Exact_Mass	131.069476538
71305057	Total_Formal_Charge	0
129634850	Non-hydrogen_Atom_Count	7
44519	Exact_Mass	351.10591
91561252	Mono_Isotopic_Weight	112.088815002
240373	Covalent_Unit_Count	1
451415	Covalent_Unit_Count	1
72571	Structure_Complexity	675
60196305	Structure_Complexity	533
18851	Total_Formal_Charge	0
136316	Exact_Mass	110.109550447
6976	Undefined_Bond_Stereo_Count	0
8132	Hydrogen_Bond_Donor_Count	2
91996	Hydrogen_Bond_Donor_Count	1
86153841	Structure_Complexity	128
9933415	Isotope_Atom_Count	0
656506	Isotope_Atom_Count	0
3911	Isotope_Atom_Count	0
129631814	Defined_Atom_Stereo_Count	6
23000221	Defined_Atom_Stereo_Count	0
92185	Tautomer_Count	1
6917959	Rotatable_Bond_Count	5
114840	Rotatable_Bond_Count	2
65670951	Hydrogen_Bond_Donor_Count	0
91365800	Covalent_Unit_Count	1
77412	Isotope_Atom_Count	0
13314	Hydrogen_Bond_Donor_Count	1
66062	Hydrogen_Bond_Acceptor_Count	4
22038	Molecular_Weight	428.6
80507	Defined_Atom_Stereo_Count	0
14197	Non-hydrogen_Atom_Count	27
69341007	Undefined_Atom_Stereo_Count	0
23891	Hydrogen_Bond_Acceptor_Count	2
20387201	Exact_Mass	113.120449483
11480403	Defined_Bond_Stereo_Count	0
3007984	Molecular_Weight	783.9
519642	Hydrogen_Bond_Donor_Count	0
15051325	Covalent_Unit_Count	1
1808	Defined_Bond_Stereo_Count	0
87105125	Hydrogen_Bond_Acceptor_Count	2
117846599	Rotatable_Bond_Count	4
2649	Defined_Atom_Stereo_Count	0
18728219	TPSA	38.4
3037981	Covalent_Unit_Count	1
70696850	Rotatable_Bond_Count	6
114911	Undefined_Atom_Stereo_Count	1
141112	Covalent_Unit_Count	1
968645	Rotatable_Bond_Count	3
92028754	Exact_Mass	69.9665510
34936	Undefined_Atom_Stereo_Count	0
16051921	Structure_Complexity	406
2915	Isotope_Atom_Count	0
9980241	Defined_Bond_Stereo_Count	0
1257	Defined_Bond_Stereo_Count	0
44123551	Undefined_Bond_Stereo_Count	0
2812	Mono_Isotopic_Weight	344.1080262
53324128	TPSA	78.3
117781134	Defined_Bond_Stereo_Count	0
138394518	Covalent_Unit_Count	1
53696	Tautomer_Count	1
92253	Non-hydrogen_Atom_Count	21
66545764	Undefined_Atom_Stereo_Count	0
13393280	Mono_Isotopic_Weight	104.094963011
5815211	Exact_Mass	514.01091900
5368784	Mono_Isotopic_Weight	204.187800766
87963836	Structure_Complexity	113
11338749	Isotope_Atom_Count	0
88424	Hydrogen_Bond_Donor_Count	0
889896	Structure_Complexity	423
44123300	Defined_Bond_Stereo_Count	0
86811213	TPSA	49.8
44310002	TPSA	49.7
163285375	Hydrogen_Bond_Acceptor_Count	13
66634681	Rotatable_Bond_Count	1
447180	Covalent_Unit_Count	1
486	Undefined_Bond_Stereo_Count	0
12284127	Isotope_Atom_Count	0
542158	Non-hydrogen_Atom_Count	34
4346	Undefined_Bond_Stereo_Count	0
6433266	Structure_Complexity	343
5282182	Hydrogen_Bond_Donor_Count	0
23363597	Non-hydrogen_Atom_Count	10
83517	Mono_Isotopic_Weight	487.49806
23654	Structure_Complexity	125
67214	Undefined_Bond_Stereo_Count	0
16132429	Defined_Atom_Stereo_Count	0
91408842	Total_Formal_Charge	0
71676045	Molecular_Weight	390.4
5942099	Undefined_Bond_Stereo_Count	0
60932	XLogP3-AA	4.6
7959	Isotope_Atom_Count	0
176448	Mono_Isotopic_Weight	148.052429494
2064030	Defined_Atom_Stereo_Count	0
45380791	TPSA	85.6
9955951	Hydrogen_Bond_Donor_Count	3
9938420	Undefined_Bond_Stereo_Count	0
3073200	Isotope_Atom_Count	0
611945	Hydrogen_Bond_Donor_Count	0
566545	Tautomer_Count	1
439284	Isotope_Atom_Count	0
74777	Total_Formal_Charge	0
19838	Mono_Isotopic_Weight	130.099379685
94910	Rotatable_Bond_Count	6
13450484	Non-hydrogen_Atom_Count	8
105014	Rotatable_Bond_Count	9
13317841	Non-hydrogen_Atom_Count	8
12248932	Molecular_Weight	115.13
11667893	Non-hydrogen_Atom_Count	28
9964081	Covalent_Unit_Count	1
68205	Tautomer_Count	5
5284515	Tautomer_Count	1
12922658	Mono_Isotopic_Weight	581.35638220
9961469	Undefined_Bond_Stereo_Count	0
101574147	Mono_Isotopic_Weight	813.32364278
156963402	Defined_Bond_Stereo_Count	1
25137911	TPSA	20.1
45486168	Defined_Bond_Stereo_Count	0
5795	Hydrogen_Bond_Donor_Count	2
12933274	Undefined_Bond_Stereo_Count	0
73093	Undefined_Atom_Stereo_Count	0
89292361	Hydrogen_Bond_Donor_Count	2
62281	Structure_Complexity	418
42642645	Mono_Isotopic_Weight	632.24464114
441975	Molecular_Weight	352.4
10178705	Undefined_Atom_Stereo_Count	0
20674	Hydrogen_Bond_Acceptor_Count	4
53316385	Exact_Mass	603.1691619
71464121	Undefined_Bond_Stereo_Count	0
5364328	Exact_Mass	79.042199164
12285893	Non-hydrogen_Atom_Count	12
441921	Structure_Complexity	1700
5377254	Total_Formal_Charge	0
2733293	Hydrogen_Bond_Acceptor_Count	2
25217563	Non-hydrogen_Atom_Count	27
444746	Undefined_Atom_Stereo_Count	0
124992	Molecular_Weight	254.18
6067	Total_Formal_Charge	1
7059454	Rotatable_Bond_Count	5
12296	XLogP3-AA	1.6
8241	Defined_Bond_Stereo_Count	0
17090	Non-hydrogen_Atom_Count	10
9949641	Undefined_Atom_Stereo_Count	0
138200	Non-hydrogen_Atom_Count	7
188219	Molecular_Weight	611.5
216326	Undefined_Bond_Stereo_Count	0
153791162	Defined_Atom_Stereo_Count	0
7172	Undefined_Atom_Stereo_Count	1
441236	Mono_Isotopic_Weight	746.31717767
30999	Undefined_Bond_Stereo_Count	0
164575	Undefined_Bond_Stereo_Count	0
10453145	Rotatable_Bond_Count	6
7301	Defined_Atom_Stereo_Count	0
5281969	Defined_Atom_Stereo_Count	0
897177	Structure_Complexity	501
12793	Non-hydrogen_Atom_Count	11
5280784	Isotope_Atom_Count	0
91026652	Exact_Mass	112.063662883
53322430	Defined_Bond_Stereo_Count	0
20656311	Isotope_Atom_Count	0
9841972	Structure_Complexity	401
443239	Hydrogen_Bond_Acceptor_Count	6
601293	Hydrogen_Bond_Acceptor_Count	2
156651923	Undefined_Bond_Stereo_Count	0
9738	Covalent_Unit_Count	1
16665100	Exact_Mass	461.23145648
54217822	Exact_Mass	122.00376522
91667979	Isotope_Atom_Count	4
720561	Defined_Atom_Stereo_Count	0
904857	TPSA	26.3
101942760	Rotatable_Bond_Count	4
22277879	Defined_Atom_Stereo_Count	0
17754066	Isotope_Atom_Count	0
159027	XLogP3-AA	0.6
495	Covalent_Unit_Count	1
130611	Molecular_Weight	232.19
13511141	Non-hydrogen_Atom_Count	13
517232	Non-hydrogen_Atom_Count	5
92058	Total_Formal_Charge	0
10931404	Undefined_Atom_Stereo_Count	0
10466948	TPSA	81.6
87985	Rotatable_Bond_Count	3
1438150	Covalent_Unit_Count	1
74561	TPSA	54.7
62779	Undefined_Atom_Stereo_Count	0
13754	Tautomer_Count	3
7269	Undefined_Atom_Stereo_Count	0
6443800	Rotatable_Bond_Count	9
23345862	Total_Formal_Charge	0
57390700	Total_Formal_Charge	0
549482	Undefined_Atom_Stereo_Count	1
37020	Undefined_Bond_Stereo_Count	0
6918837	Exact_Mass	349.17902698
72165228	Hydrogen_Bond_Acceptor_Count	8
954767	Total_Formal_Charge	0
5311424	Hydrogen_Bond_Acceptor_Count	3
61523	Molecular_Weight	164.24
121515	Non-hydrogen_Atom_Count	24
5287958	Defined_Atom_Stereo_Count	8
34296	Mono_Isotopic_Weight	112.03467143
6917789	Isotope_Atom_Count	0
90087	Undefined_Atom_Stereo_Count	0
9808828	Rotatable_Bond_Count	7
13610389	Rotatable_Bond_Count	0
12959020	Covalent_Unit_Count	1
8919	Tautomer_Count	1
30981	TPSA	54
65019	Hydrogen_Bond_Acceptor_Count	2
156432753	Defined_Bond_Stereo_Count	0
22833454	TPSA	26
57625	Covalent_Unit_Count	3
54677674	XLogP3-AA	3.5
5197257	Undefined_Bond_Stereo_Count	0
21718901	Defined_Bond_Stereo_Count	0
107	Defined_Atom_Stereo_Count	0
2358	Exact_Mass	211.04807239
58806287	Total_Formal_Charge	0
49865973	Isotope_Atom_Count	0
77991437	Rotatable_Bond_Count	0
129847163	Structure_Complexity	382
70163	Mono_Isotopic_Weight	202.062994177
91501507	Hydrogen_Bond_Acceptor_Count	0
19938019	Undefined_Bond_Stereo_Count	0
62823	TPSA	55
49028	Structure_Complexity	294
6842999	Hydrogen_Bond_Donor_Count	0
261166	Defined_Bond_Stereo_Count	0
6454351	Covalent_Unit_Count	1
13240378	Rotatable_Bond_Count	3
129635186	Molecular_Weight	791.5
88261	Mono_Isotopic_Weight	230.224580195
196396	Mono_Isotopic_Weight	538.1765170
101739878	Total_Formal_Charge	0
7068	Defined_Bond_Stereo_Count	0
118703	XLogP3-AA	4.8
68321815	Isotope_Atom_Count	0
75903	TPSA	78.9
91747	Exact_Mass	309.0379554
57681561	Exact_Mass	393.21781779
58453	Hydrogen_Bond_Acceptor_Count	3
1549098	Covalent_Unit_Count	1
58044734	Rotatable_Bond_Count	0
445575	Molecular_Weight	388.5
7213685	Rotatable_Bond_Count	0
75332	Mono_Isotopic_Weight	142.0297759
32091	Isotope_Atom_Count	0
40113	Defined_Atom_Stereo_Count	0
104287	Non-hydrogen_Atom_Count	30
79010	Isotope_Atom_Count	0
249266	Undefined_Atom_Stereo_Count	0
60209624	Mono_Isotopic_Weight	313.15387487
99922	Tautomer_Count	5
233979	Defined_Bond_Stereo_Count	0
56082	XLogP3-AA	3.6
177700	Rotatable_Bond_Count	0
318911	Total_Formal_Charge	0
12671579	TPSA	53
24229456	Rotatable_Bond_Count	0
131740853	Exact_Mass	563.13188
5746249	Non-hydrogen_Atom_Count	33
12507	Hydrogen_Bond_Donor_Count	0
86	Rotatable_Bond_Count	1
42231	Non-hydrogen_Atom_Count	30
5928432	Rotatable_Bond_Count	19
16212480	Defined_Atom_Stereo_Count	4
67849	Isotope_Atom_Count	0
82111162	Exact_Mass	115.099714038
232656	Non-hydrogen_Atom_Count	8
6918248	Undefined_Atom_Stereo_Count	0
49857317	Exact_Mass	394.15535203
5460291	Structure_Complexity	104
11233	Isotope_Atom_Count	0
64402	Covalent_Unit_Count	1
243400	Mono_Isotopic_Weight	164.0604073
5148195	Non-hydrogen_Atom_Count	12
581	Defined_Atom_Stereo_Count	0
13356643	XLogP3-AA	0.4
83023	Rotatable_Bond_Count	8
54307	Non-hydrogen_Atom_Count	18
23677974	Non-hydrogen_Atom_Count	21
71305057	Molecular_Weight	439.3
22420437	Defined_Atom_Stereo_Count	0
5256168	Exact_Mass	111.96527171
87504	Exact_Mass	677.49955525
94228	Hydrogen_Bond_Donor_Count	2
137347969	Hydrogen_Bond_Donor_Count	1
5424	Covalent_Unit_Count	1
1046	Mono_Isotopic_Weight	123.043261792
10311	Rotatable_Bond_Count	4
165360154	Exact_Mass	846.1243199
6971070	Undefined_Bond_Stereo_Count	0
164512	TPSA	51.2
23689980	Exact_Mass	117.97005941
10621	Covalent_Unit_Count	1
3018793	Covalent_Unit_Count	1
30278	Undefined_Bond_Stereo_Count	0
42884	Non-hydrogen_Atom_Count	26
141829	Tautomer_Count	1
22314	Covalent_Unit_Count	1
4564493	Tautomer_Count	8
3036443	Defined_Atom_Stereo_Count	4
291730	Hydrogen_Bond_Acceptor_Count	8
105146	Non-hydrogen_Atom_Count	1
6175	Isotope_Atom_Count	0
55973	Exact_Mass	315.90260
16211283	Defined_Bond_Stereo_Count	0
7017101	Exact_Mass	124.063662883
70278898	Exact_Mass	398.21180428
644006	Undefined_Atom_Stereo_Count	0
4745	Total_Formal_Charge	0
119069	Defined_Bond_Stereo_Count	0
4494	Tautomer_Count	5
124021	Covalent_Unit_Count	1
5284360	Isotope_Atom_Count	0
19710	Molecular_Weight	118.13
16760595	Mono_Isotopic_Weight	262.95716241
239	Structure_Complexity	52.8
4169160	Undefined_Atom_Stereo_Count	1
25124826	Covalent_Unit_Count	1
81837	Mono_Isotopic_Weight	153.078978594
12671783	XLogP3-AA	0.9
156592059	Molecular_Weight	895.9
2795565	Molecular_Weight	224.05
4249	Defined_Atom_Stereo_Count	0
19163	Undefined_Bond_Stereo_Count	0
21872023	Hydrogen_Bond_Donor_Count	6
66025	Hydrogen_Bond_Acceptor_Count	3
61614676	TPSA	71.1
832	Covalent_Unit_Count	1
123335274	Defined_Bond_Stereo_Count	0
14444485	Exact_Mass	245.08993720
71270	Undefined_Atom_Stereo_Count	2
165892084	Rotatable_Bond_Count	0
25982	Hydrogen_Bond_Acceptor_Count	3
86200	Undefined_Bond_Stereo_Count	0
5310979	Undefined_Bond_Stereo_Count	0
46902102	Mono_Isotopic_Weight	1114.49035070
145832	Structure_Complexity	124
135403647	Non-hydrogen_Atom_Count	35
3300	Defined_Atom_Stereo_Count	0
88976	Defined_Bond_Stereo_Count	0
178080	Molecular_Weight	361.4
80603	Rotatable_Bond_Count	1
137547	Undefined_Atom_Stereo_Count	0
126977538	Covalent_Unit_Count	1
57800	Undefined_Atom_Stereo_Count	0
16213668	Non-hydrogen_Atom_Count	22
104977	Total_Formal_Charge	0
3081561	Hydrogen_Bond_Acceptor_Count	51
6918988	Hydrogen_Bond_Donor_Count	2
53691700	Mono_Isotopic_Weight	117.078978594
11697676	XLogP3-AA	4.2
9327	Exact_Mass	614.36207672
99646540	Undefined_Atom_Stereo_Count	0
5459842	Hydrogen_Bond_Acceptor_Count	3
93738	Defined_Bond_Stereo_Count	0
53237112	Undefined_Bond_Stereo_Count	0
107901	Hydrogen_Bond_Acceptor_Count	4
68511084	Isotope_Atom_Count	0
135436533	Undefined_Bond_Stereo_Count	0
75712	Undefined_Bond_Stereo_Count	0
42602260	Mono_Isotopic_Weight	428.1727518
3356829	Hydrogen_Bond_Donor_Count	0
35949	Non-hydrogen_Atom_Count	28
11651149	TPSA	26
12225167	Defined_Bond_Stereo_Count	0
28905	Total_Formal_Charge	0
89456730	Rotatable_Bond_Count	0
81923	Defined_Atom_Stereo_Count	0
56603728	Defined_Bond_Stereo_Count	0
440723	Defined_Bond_Stereo_Count	0
22836365	Molecular_Weight	181.15
19371857	Total_Formal_Charge	0
92333	Undefined_Bond_Stereo_Count	0
117064644	Covalent_Unit_Count	1
4662	Defined_Atom_Stereo_Count	0
317681	Undefined_Atom_Stereo_Count	0
59502	Defined_Atom_Stereo_Count	0
3061720	Isotope_Atom_Count	0
188219	Hydrogen_Bond_Acceptor_Count	16
24746982	XLogP3-AA	3.3
67113727	TPSA	30.3
23422050	Covalent_Unit_Count	1
6405	Total_Formal_Charge	0
11966129	Exact_Mass	943.16255437
544596	Total_Formal_Charge	0
718862	Defined_Atom_Stereo_Count	0
174042	XLogP3-AA	39.9
92416	Isotope_Atom_Count	0
66840	Covalent_Unit_Count	1
17748	Total_Formal_Charge	0
15982533	Undefined_Bond_Stereo_Count	0
84042	Hydrogen_Bond_Acceptor_Count	3
56679113	Total_Formal_Charge	0
11542775	Tautomer_Count	1
31250	TPSA	77.9
23081366	Total_Formal_Charge	0
139502	Hydrogen_Bond_Donor_Count	0
18719	Rotatable_Bond_Count	5
636398	Hydrogen_Bond_Acceptor_Count	7
71310692	TPSA	60.7
133732	Undefined_Bond_Stereo_Count	0
70719	Structure_Complexity	74.9
91170688	Hydrogen_Bond_Acceptor_Count	3
441073	Exact_Mass	324.183778013
7040	Non-hydrogen_Atom_Count	13
611834	Covalent_Unit_Count	7
54405	Structure_Complexity	442
53469448	TPSA	77
14208378	Defined_Bond_Stereo_Count	0
71681634	Total_Formal_Charge	0
455041	Structure_Complexity	331
12736014	TPSA	88.1
12753	Defined_Bond_Stereo_Count	0
72941969	Molecular_Weight	4610
97375	Undefined_Bond_Stereo_Count	0
146159199	Defined_Atom_Stereo_Count	3
519415	Defined_Atom_Stereo_Count	0
890907	Hydrogen_Bond_Donor_Count	1
2031	Rotatable_Bond_Count	9
101074209	Undefined_Atom_Stereo_Count	2
2706	Undefined_Atom_Stereo_Count	4
164282	Isotope_Atom_Count	0
22468	TPSA	0
47267	Hydrogen_Bond_Donor_Count	0
6443803	Isotope_Atom_Count	0
54335228	XLogP3-AA	0.2
5351564	Tautomer_Count	1
564558	Molecular_Weight	168.23
448702	Non-hydrogen_Atom_Count	12
156008	Non-hydrogen_Atom_Count	9
117768413	TPSA	110
15932798	Structure_Complexity	101
26975	Exact_Mass	164.120115130
14742703	XLogP3-AA	4.8
2218	Tautomer_Count	3
13272656	Isotope_Atom_Count	0
24838347	Exact_Mass	196.0138511
22002688	Isotope_Atom_Count	0
559740	Tautomer_Count	1
13932052	Rotatable_Bond_Count	1
2761171	Non-hydrogen_Atom_Count	11
5384876	Total_Formal_Charge	0
124426477	Isotope_Atom_Count	0
10446567	XLogP3-AA	2.9
58	Isotope_Atom_Count	0
2100	Mono_Isotopic_Weight	918.35416761
57452	TPSA	32.3
3811100	Defined_Bond_Stereo_Count	0
8573	XLogP3-AA	2.5
3108	Structure_Complexity	561
23663403	Structure_Complexity	525
91400094	Hydrogen_Bond_Acceptor_Count	3
39860873	Defined_Atom_Stereo_Count	0
31070	Exact_Mass	303.10580174
474523	Exact_Mass	403.345029678
121827	Total_Formal_Charge	0
580566	Molecular_Weight	140.26
131709170	Hydrogen_Bond_Donor_Count	9
20132002	Molecular_Weight	82.10
15367	Undefined_Bond_Stereo_Count	0
13191	Structure_Complexity	56.6
81876	Undefined_Atom_Stereo_Count	0
5064	Mono_Isotopic_Weight	244.08076950
6673	Hydrogen_Bond_Donor_Count	0
5479537	Covalent_Unit_Count	1
53917786	Mono_Isotopic_Weight	113.022526347
96796	Covalent_Unit_Count	1
5378293	Isotope_Atom_Count	0
135449327	Defined_Bond_Stereo_Count	0
54776248	Undefined_Atom_Stereo_Count	0
21987892	Molecular_Weight	206.35
53818	Exact_Mass	298.15287181
5280608	XLogP3-AA	0.6
71777654	Structure_Complexity	151
133640201	Tautomer_Count	1
5484727	Covalent_Unit_Count	1
133655777	Rotatable_Bond_Count	6
10406	Hydrogen_Bond_Donor_Count	1
24526	Molecular_Weight	70.90
441140	XLogP3	2.2
44758	Defined_Atom_Stereo_Count	0
11876	Tautomer_Count	2
5365125	Covalent_Unit_Count	1
5487888	Defined_Atom_Stereo_Count	2
44152553	Hydrogen_Bond_Acceptor_Count	5
54713659	Tautomer_Count	6
12933274	Undefined_Atom_Stereo_Count	0
5371728	Molecular_Weight	369.6
76223445	TPSA	26
90853172	Isotope_Atom_Count	0
12214112	Undefined_Bond_Stereo_Count	0
5484438	Tautomer_Count	3
5371728	Defined_Atom_Stereo_Count	0
61972	Isotope_Atom_Count	0
54012932	Undefined_Atom_Stereo_Count	2
85812	Molecular_Weight	202.25
2723722	Exact_Mass	358.25079494
65938	TPSA	229
71720675	Rotatable_Bond_Count	4
136115428	Rotatable_Bond_Count	1
71464121	Undefined_Atom_Stereo_Count	0
58125082	Exact_Mass	109.063997236
139591683	Undefined_Bond_Stereo_Count	0
17045	Hydrogen_Bond_Donor_Count	1
72142	Hydrogen_Bond_Donor_Count	1
636405	Mono_Isotopic_Weight	612.12093748
74904	Exact_Mass	166.099379685
166957	Structure_Complexity	0
9577585	Exact_Mass	303.0410689
23305305	Undefined_Atom_Stereo_Count	0
12500939	Undefined_Atom_Stereo_Count	2
503327	Total_Formal_Charge	0
53393558	Exact_Mass	220.182715385
91148	Total_Formal_Charge	0
47297	Non-hydrogen_Atom_Count	19
12774540	Covalent_Unit_Count	1
7822	Rotatable_Bond_Count	4
448505	Isotope_Atom_Count	0
153687585	XLogP3-AA	2.6
10582477	Molecular_Weight	223.23
4043	Molecular_Weight	344.5
45267632	Hydrogen_Bond_Donor_Count	2
91601	Defined_Atom_Stereo_Count	0
55910	Exact_Mass	306.07316
44225660	Hydrogen_Bond_Acceptor_Count	6
129689385	Undefined_Atom_Stereo_Count	0
220	Molecular_Weight	261.28
40479693	Covalent_Unit_Count	1
3916406	Covalent_Unit_Count	1
2843	Rotatable_Bond_Count	11
696	Defined_Atom_Stereo_Count	0
71572	Rotatable_Bond_Count	1
135532928	Isotope_Atom_Count	0
653817	Isotope_Atom_Count	0
20644244	Hydrogen_Bond_Acceptor_Count	2
22273998	Exact_Mass	99.043261792
651092	Hydrogen_Bond_Acceptor_Count	7
71717902	Exact_Mass	171.08211746
1013432	Hydrogen_Bond_Donor_Count	1
4739617	Isotope_Atom_Count	0
52598	Mono_Isotopic_Weight	372.15862589
3034023	Total_Formal_Charge	0
59886072	Undefined_Bond_Stereo_Count	0
12687479	Undefined_Bond_Stereo_Count	0
1639804	TPSA	46.5
3274	Rotatable_Bond_Count	5
5287792	Isotope_Atom_Count	0
97865	Rotatable_Bond_Count	4
4168142	Defined_Bond_Stereo_Count	0
517055	Non-hydrogen_Atom_Count	10
81923	Undefined_Atom_Stereo_Count	0
9848818	Defined_Bond_Stereo_Count	0
5459318	Molecular_Weight	525.6
59966656	Rotatable_Bond_Count	6
46866319	Isotope_Atom_Count	0
139074319	Undefined_Atom_Stereo_Count	0
69990	Structure_Complexity	148
54682469	Defined_Atom_Stereo_Count	5
13018409	Rotatable_Bond_Count	0
15982533	Defined_Atom_Stereo_Count	0
163940165	Hydrogen_Bond_Acceptor_Count	1
28114	Mono_Isotopic_Weight	110.048012819
12487265	Molecular_Weight	116.11
40933	TPSA	42.2
30856	Rotatable_Bond_Count	0
74086836	Exact_Mass	183.87579
12877	Undefined_Atom_Stereo_Count	0
6451257	Defined_Atom_Stereo_Count	4
28610	XLogP3-AA	7
24721009	Hydrogen_Bond_Donor_Count	2
9255	XLogP3	0.1
4201	Exact_Mass	209.12766012
3434472	XLogP3	4.8
53717135	Defined_Atom_Stereo_Count	0
101630689	Total_Formal_Charge	0
30513	Molecular_Weight	259.29
15256279	Defined_Bond_Stereo_Count	0
37	Non-hydrogen_Atom_Count	12
42626680	Mono_Isotopic_Weight	180.06338810
118210121	Isotope_Atom_Count	0
1476655	XLogP3-AA	1.5
49865920	Exact_Mass	350.199428076
32495	Undefined_Bond_Stereo_Count	0
10885665	Non-hydrogen_Atom_Count	35
429734	Undefined_Bond_Stereo_Count	0
10486803	Isotope_Atom_Count	0
17279	Total_Formal_Charge	0
12340	Tautomer_Count	1
54324318	TPSA	43.6
44454	Undefined_Bond_Stereo_Count	0
75066	Non-hydrogen_Atom_Count	27
74041114	Covalent_Unit_Count	1
2752588	Isotope_Atom_Count	0
5461103	Molecular_Weight	273.28
4180	Non-hydrogen_Atom_Count	17
5984	Rotatable_Bond_Count	5
129010338	Exact_Mass	416.32904526
8944	Mono_Isotopic_Weight	352.215078140
3985	Undefined_Bond_Stereo_Count	0
5259916	Structure_Complexity	134
86220885	TPSA	26
24386	Defined_Atom_Stereo_Count	0
10434	Defined_Bond_Stereo_Count	0
5371246	Undefined_Bond_Stereo_Count	0
30999	Defined_Atom_Stereo_Count	0
14294923	Hydrogen_Bond_Donor_Count	1
3444	Hydrogen_Bond_Donor_Count	0
13691769	Total_Formal_Charge	0
122174048	Defined_Atom_Stereo_Count	0
96268	Hydrogen_Bond_Acceptor_Count	4
18622355	Non-hydrogen_Atom_Count	8
41515	Hydrogen_Bond_Donor_Count	0
17860	Undefined_Atom_Stereo_Count	0
72200674	Covalent_Unit_Count	1
4194	Undefined_Bond_Stereo_Count	2
12730529	Hydrogen_Bond_Donor_Count	1
66769579	Rotatable_Bond_Count	0
556872	Exact_Mass	112.088815002
96301	Defined_Bond_Stereo_Count	0
95455	Covalent_Unit_Count	1
4535	Defined_Atom_Stereo_Count	0
3824520	Non-hydrogen_Atom_Count	8
70723	Exact_Mass	110.073164938
61103	Hydrogen_Bond_Acceptor_Count	0
18939579	Isotope_Atom_Count	0
67108443	Undefined_Atom_Stereo_Count	0
20209436	Non-hydrogen_Atom_Count	38
154496863	Non-hydrogen_Atom_Count	23
11151622	Covalent_Unit_Count	1
4012	Molecular_Weight	790.8
164158597	Non-hydrogen_Atom_Count	8
3081358	TPSA	84.9
13152	Non-hydrogen_Atom_Count	10
129228	Hydrogen_Bond_Acceptor_Count	5
12678417	Rotatable_Bond_Count	1
94785	Defined_Atom_Stereo_Count	0
69488026	Rotatable_Bond_Count	0
101670359	Undefined_Bond_Stereo_Count	0
49862691	Covalent_Unit_Count	1
68365445	Mono_Isotopic_Weight	112.027277375
20141875	Hydrogen_Bond_Donor_Count	1
22386467	Mono_Isotopic_Weight	418.051880
44758	Undefined_Atom_Stereo_Count	0
80792	Isotope_Atom_Count	0
3000346	TPSA	99.1
7294	Undefined_Atom_Stereo_Count	0
9249	Structure_Complexity	91.2
25007064	Isotope_Atom_Count	0
439255	TPSA	101
123585399	Non-hydrogen_Atom_Count	7
572065	TPSA	20.2
20494989	Defined_Atom_Stereo_Count	0
3033053	Covalent_Unit_Count	1
71323	Tautomer_Count	2
118248246	Molecular_Weight	108.10
3941	Total_Formal_Charge	0
51021	TPSA	62.9
138041	Defined_Bond_Stereo_Count	0
97868	XLogP3	1.6
712078	Non-hydrogen_Atom_Count	22
3006315	Hydrogen_Bond_Acceptor_Count	4
71305059	Isotope_Atom_Count	0
3383476	Molecular_Weight	465.4
5459377	XLogP3-AA	11.3
3349	Covalent_Unit_Count	1
119171	Mono_Isotopic_Weight	631.24473756
4927	Exact_Mass	284.13471982
62705689	Undefined_Bond_Stereo_Count	0
148546155	Defined_Bond_Stereo_Count	0
115001	Undefined_Atom_Stereo_Count	0
68901306	Covalent_Unit_Count	1
123732032	Isotope_Atom_Count	0
13389335	Non-hydrogen_Atom_Count	16
5329047	Total_Formal_Charge	0
36382	Hydrogen_Bond_Acceptor_Count	1
129627923	Non-hydrogen_Atom_Count	17
14619629	Hydrogen_Bond_Donor_Count	1
11366954	Undefined_Bond_Stereo_Count	0
12276	Hydrogen_Bond_Donor_Count	0
24482	Defined_Atom_Stereo_Count	0
13235329	TPSA	0
13804	Molecular_Weight	488.32
70268689	XLogP3-AA	0.2
881	Hydrogen_Bond_Donor_Count	0
23681217	Exact_Mass	206.06673650
441277	Isotope_Atom_Count	0
85942939	Defined_Atom_Stereo_Count	0
2966	Hydrogen_Bond_Donor_Count	2
57345538	Undefined_Atom_Stereo_Count	0
821629	Hydrogen_Bond_Acceptor_Count	5
4284	Hydrogen_Bond_Donor_Count	0
9874874	Exact_Mass	697.38259695
123623	Undefined_Bond_Stereo_Count	0
98491	Non-hydrogen_Atom_Count	17
20129993	TPSA	46.2
12609623	Defined_Bond_Stereo_Count	0
22574	Exact_Mass	232.99940812
8084	Structure_Complexity	51.9
91438571	Molecular_Weight	105.14
13653621	Mono_Isotopic_Weight	420.22851697
11954310	Structure_Complexity	807
9959269	TPSA	111
6971070	XLogP3	1.3
6538981	Defined_Bond_Stereo_Count	0
447451	Tautomer_Count	30
10019237	Rotatable_Bond_Count	8
9811493	Undefined_Atom_Stereo_Count	1
44201343	Total_Formal_Charge	0
1084	Defined_Bond_Stereo_Count	0
6434144	Covalent_Unit_Count	2
57029485	Total_Formal_Charge	0
3969	Structure_Complexity	369
54539471	Covalent_Unit_Count	1
10470475	Undefined_Atom_Stereo_Count	0
2728077	Undefined_Atom_Stereo_Count	0
667448	Structure_Complexity	457
140830181	Undefined_Bond_Stereo_Count	0
138106567	Structure_Complexity	1120
71584544	Hydrogen_Bond_Donor_Count	2
20392120	Defined_Atom_Stereo_Count	0
12248569	Covalent_Unit_Count	1
6040503	TPSA	35.5
23688957	Rotatable_Bond_Count	1
74136	Mono_Isotopic_Weight	371.09225967
24529	Defined_Bond_Stereo_Count	0
67901	Hydrogen_Bond_Donor_Count	2
189562	Structure_Complexity	483
15250	Covalent_Unit_Count	1
64709	Hydrogen_Bond_Acceptor_Count	8
70346812	Molecular_Weight	113.16
165	Defined_Atom_Stereo_Count	0
56928061	Mono_Isotopic_Weight	527.23263824
56644402	Mono_Isotopic_Weight	382.17936134
6971070	Defined_Atom_Stereo_Count	0
19693	Hydrogen_Bond_Acceptor_Count	17
22833489	Hydrogen_Bond_Donor_Count	0
12717	Undefined_Bond_Stereo_Count	0
86811213	Tautomer_Count	1
9708	Covalent_Unit_Count	1
641496	Covalent_Unit_Count	1
16449	TPSA	0
12320138	Hydrogen_Bond_Acceptor_Count	2
98651	Undefined_Atom_Stereo_Count	0
6715	TPSA	51.2
140557163	Total_Formal_Charge	0
12300006	XLogP3-AA	1.6
118426	Hydrogen_Bond_Donor_Count	1
5359353	Covalent_Unit_Count	1
49869037	Isotope_Atom_Count	0
5280883	Defined_Atom_Stereo_Count	5
21387	Hydrogen_Bond_Acceptor_Count	1
935	Molecular_Weight	58.693
3790357	Hydrogen_Bond_Donor_Count	1
94011387	Structure_Complexity	382
17925	TPSA	41.5
3590	Defined_Atom_Stereo_Count	0
97375	Undefined_Atom_Stereo_Count	0
65866	Defined_Atom_Stereo_Count	0
15904	Molecular_Weight	155.19
53485229	Defined_Bond_Stereo_Count	0
60931	Molecular_Weight	393.5
88959077	Structure_Complexity	122
139444	Hydrogen_Bond_Acceptor_Count	0
37968	Non-hydrogen_Atom_Count	29
66588767	Molecular_Weight	582.6
100094	Defined_Atom_Stereo_Count	2
70935	Structure_Complexity	128
52919	TPSA	46.6
471583	Hydrogen_Bond_Acceptor_Count	8
57004451	Defined_Atom_Stereo_Count	0
6450807	Covalent_Unit_Count	1
9862634	Mono_Isotopic_Weight	221.120449483
11386761	Covalent_Unit_Count	1
10473	Defined_Bond_Stereo_Count	0
40087	Undefined_Atom_Stereo_Count	0
2816105	Mono_Isotopic_Weight	313.13611680
8717	Isotope_Atom_Count	0
7364	Covalent_Unit_Count	1
59653	Structure_Complexity	492
10379	Hydrogen_Bond_Acceptor_Count	3
11457675	XLogP3-AA	0.7
3932	Hydrogen_Bond_Donor_Count	0
66599893	Tautomer_Count	15
19738210	Defined_Atom_Stereo_Count	0
21161643	Isotope_Atom_Count	0
5283349	Undefined_Atom_Stereo_Count	0
10083	Structure_Complexity	274
5333	Hydrogen_Bond_Donor_Count	2
91386640	TPSA	38.6
17753867	Hydrogen_Bond_Donor_Count	1
133886	Isotope_Atom_Count	0
690109	Covalent_Unit_Count	1
43331	TPSA	50.8
682529	Undefined_Bond_Stereo_Count	0
21881641	XLogP3-AA	4.2
91747288	Isotope_Atom_Count	0
959353	Undefined_Atom_Stereo_Count	0
9854489	XLogP3	4.8
132980806	Exact_Mass	1354.567399
13795008	Undefined_Atom_Stereo_Count	0
67711	Covalent_Unit_Count	1
4019563	Exact_Mass	419.97220756
79127	Mono_Isotopic_Weight	108.093900383
10127622	Hydrogen_Bond_Acceptor_Count	6
641660	Rotatable_Bond_Count	0
23000709	TPSA	64.9
62453	Isotope_Atom_Count	0
2724192	Tautomer_Count	1
5329056	XLogP3-AA	4.9
537142	Undefined_Bond_Stereo_Count	0
5746387	Isotope_Atom_Count	0
3804189	Undefined_Bond_Stereo_Count	0
10986305	Hydrogen_Bond_Acceptor_Count	3
21996	Defined_Bond_Stereo_Count	0
19165	XLogP3	3.7
6371710	Isotope_Atom_Count	0
45271369	Molecular_Weight	367.5
2904	Exact_Mass	379.0427261
126664809	Molecular_Weight	303.35
5743396	Mono_Isotopic_Weight	113.02992040
3303	Exact_Mass	313.16779360
68289010	Undefined_Atom_Stereo_Count	0
542215	Undefined_Bond_Stereo_Count	0
739	Structure_Complexity	155
284998	Rotatable_Bond_Count	5
144369145	Mono_Isotopic_Weight	98.048012819
14896	Mono_Isotopic_Weight	136.125200510
53734126	TPSA	55.1
22344	Rotatable_Bond_Count	0
216466	Isotope_Atom_Count	0
66013	Mono_Isotopic_Weight	107.073499291
115208	Tautomer_Count	2
7304	TPSA	4.9
11171853	Mono_Isotopic_Weight	212.1107912
13311902	Non-hydrogen_Atom_Count	7
71105	XLogP3-AA	1.9
8667	Defined_Bond_Stereo_Count	0
15207340	Exact_Mass	118.099379685
140287425	Hydrogen_Bond_Acceptor_Count	1
7243	Total_Formal_Charge	0
91753565	Hydrogen_Bond_Acceptor_Count	0
4714	Undefined_Bond_Stereo_Count	2
71459117	Mono_Isotopic_Weight	391.18959167
133611945	Undefined_Bond_Stereo_Count	0
129651290	Non-hydrogen_Atom_Count	31
12040	Hydrogen_Bond_Donor_Count	1
529331	Covalent_Unit_Count	1
90936519	XLogP3-AA	7.5
122361733	TPSA	198
39066	Undefined_Atom_Stereo_Count	2
135510215	Hydrogen_Bond_Acceptor_Count	5
135408511	Structure_Complexity	523
10199068	Defined_Atom_Stereo_Count	2
15450	Non-hydrogen_Atom_Count	9
14494973	Undefined_Atom_Stereo_Count	0
85069	Structure_Complexity	439
15575619	Undefined_Bond_Stereo_Count	0
15767	Hydrogen_Bond_Donor_Count	0
58035420	Structure_Complexity	103
40666	TPSA	23.5
46631	XLogP3-AA	1.3
23688977	Covalent_Unit_Count	2
3330	Defined_Atom_Stereo_Count	0
27655	Molecular_Weight	152.53
18725	XLogP3	10.4
53678561	Undefined_Atom_Stereo_Count	0
19217	Defined_Atom_Stereo_Count	0
102594130	Total_Formal_Charge	0
11224409	Total_Formal_Charge	0
160138	Undefined_Bond_Stereo_Count	0
101071970	Hydrogen_Bond_Acceptor_Count	0
14341511	Non-hydrogen_Atom_Count	8
12076	Undefined_Bond_Stereo_Count	0
196672	Defined_Atom_Stereo_Count	5
135400184	Exact_Mass	284.07318219
162461	Rotatable_Bond_Count	3
25512	Exact_Mass	80.062600255
71449805	Molecular_Weight	305.4
71743736	Undefined_Atom_Stereo_Count	1
56683653	Defined_Bond_Stereo_Count	0
5284613	Mono_Isotopic_Weight	530.28796829
516875	Undefined_Bond_Stereo_Count	0
66760	Exact_Mass	153.0093748
9808654	Structure_Complexity	783
25199807	Mono_Isotopic_Weight	264.034001
10489	Total_Formal_Charge	0
6433115	Covalent_Unit_Count	1
21576	Tautomer_Count	8
59059041	Non-hydrogen_Atom_Count	8
60196333	Undefined_Bond_Stereo_Count	0
281	Defined_Bond_Stereo_Count	0
14121451	Covalent_Unit_Count	1
136305444	TPSA	41.8
158782	Rotatable_Bond_Count	26
6608	Non-hydrogen_Atom_Count	15
131750179	Molecular_Weight	1109.3
24822371	Exact_Mass	359.187455
705485	XLogP3-AA	4
56670167	Hydrogen_Bond_Acceptor_Count	6
13800357	Undefined_Bond_Stereo_Count	0
9828356	XLogP3-AA	1
11671	Rotatable_Bond_Count	1
413537	Defined_Bond_Stereo_Count	0
545093	Hydrogen_Bond_Donor_Count	1
72199784	XLogP3-AA	5.6
115212	Non-hydrogen_Atom_Count	38
12546243	Rotatable_Bond_Count	0
53694406	Undefined_Bond_Stereo_Count	0
73742	Mono_Isotopic_Weight	144.068748264
20767631	Defined_Atom_Stereo_Count	0
47576	Total_Formal_Charge	0
14815775	XLogP3-AA	0.1
546996	Hydrogen_Bond_Acceptor_Count	1
9963430	Covalent_Unit_Count	1
38627	Defined_Atom_Stereo_Count	0
44443935	Undefined_Bond_Stereo_Count	0
8855	Defined_Atom_Stereo_Count	0
32798	Rotatable_Bond_Count	5
47703	Molecular_Weight	284.4
54677971	Defined_Atom_Stereo_Count	0
11768551	Hydrogen_Bond_Acceptor_Count	2
541661	Undefined_Bond_Stereo_Count	0
15031772	Rotatable_Bond_Count	0
79005	Non-hydrogen_Atom_Count	5
71257	TPSA	43.2
391974	Total_Formal_Charge	0
54171635	Undefined_Atom_Stereo_Count	1
433604	Structure_Complexity	142
10785	Total_Formal_Charge	0
23435	Hydrogen_Bond_Donor_Count	1
16639	Covalent_Unit_Count	1
98648	Hydrogen_Bond_Donor_Count	1
4290	XLogP3	1
51906	Mono_Isotopic_Weight	223.12084340
439568	Covalent_Unit_Count	1
18628727	TPSA	66.4
5271570	Exact_Mass	228.13615911
82337	XLogP3	3.6
25059	Hydrogen_Bond_Acceptor_Count	2
6905	Defined_Bond_Stereo_Count	0
15273919	Structure_Complexity	80.1
99050	TPSA	48.1
24180686	Rotatable_Bond_Count	17
1241420	TPSA	66.4
156618074	Covalent_Unit_Count	1
129711656	Undefined_Atom_Stereo_Count	0
44603531	Defined_Bond_Stereo_Count	0
135460987	Defined_Bond_Stereo_Count	0
3058503	Total_Formal_Charge	0
19549	Non-hydrogen_Atom_Count	13
23283113	Covalent_Unit_Count	1
443866	Covalent_Unit_Count	2
12171	Molecular_Weight	175.05
87250	XLogP3	3.2
87595	Undefined_Bond_Stereo_Count	0
448537	Mono_Isotopic_Weight	268.146329876
6419902	Rotatable_Bond_Count	11
44521023	XLogP3-AA	4.6
3430	Total_Formal_Charge	0
70014	Exact_Mass	189.00380189
118219535	Covalent_Unit_Count	1
91599894	Defined_Atom_Stereo_Count	0
132367	Molecular_Weight	232.23
688095	Total_Formal_Charge	0
10273	Rotatable_Bond_Count	2
968625	Molecular_Weight	330.4
156618026	Structure_Complexity	382
135451068	Structure_Complexity	834
36812	Total_Formal_Charge	0
146256	Undefined_Atom_Stereo_Count	1
21698963	Covalent_Unit_Count	1
221145	Total_Formal_Charge	0
11977152	Defined_Atom_Stereo_Count	0
13444042	Molecular_Weight	108.14
130589021	Undefined_Bond_Stereo_Count	0
8446	Defined_Bond_Stereo_Count	0
9870785	Isotope_Atom_Count	0
16240279	Structure_Complexity	910
1082	Exact_Mass	337.09437113
58714	Covalent_Unit_Count	1
32439	Isotope_Atom_Count	0
58536	Rotatable_Bond_Count	3
135414248	Structure_Complexity	643
76958691	Undefined_Bond_Stereo_Count	0
6419933	Defined_Atom_Stereo_Count	38
12367599	Isotope_Atom_Count	0
6891	Defined_Bond_Stereo_Count	0
16212773	Structure_Complexity	382
9798222	Tautomer_Count	7
126479882	Hydrogen_Bond_Donor_Count	9
3971	XLogP3-AA	2.8
51759	Molecular_Weight	482.6
631468	XLogP3-AA	2.2
6951525	Structure_Complexity	55.1
141697522	Hydrogen_Bond_Acceptor_Count	6
58550573	Rotatable_Bond_Count	0
20334570	Total_Formal_Charge	0
19017814	Rotatable_Bond_Count	2
91302186	Defined_Atom_Stereo_Count	0
11594966	Non-hydrogen_Atom_Count	24
23080867	Molecular_Weight	113.11
13536814	Tautomer_Count	1
10125362	XLogP3-AA	3.4
6437841	Molecular_Weight	326.4
3000926	Undefined_Bond_Stereo_Count	0
21651128	Molecular_Weight	117.15
11051571	TPSA	20.2
330654	Isotope_Atom_Count	0
44485	Structure_Complexity	208
72941955	Total_Formal_Charge	0
22348659	Isotope_Atom_Count	0
15016062	Hydrogen_Bond_Donor_Count	1
11256587	Hydrogen_Bond_Acceptor_Count	4
71693	Molecular_Weight	311.4
119570	Exact_Mass	211.11431873
3372016	Exact_Mass	524.11228755
67249135	Hydrogen_Bond_Donor_Count	1
43536	Non-hydrogen_Atom_Count	26
5853	Total_Formal_Charge	0
7313	Hydrogen_Bond_Acceptor_Count	2
105427022	Undefined_Atom_Stereo_Count	0
736282	TPSA	40.5
41268	Hydrogen_Bond_Donor_Count	1
12209629	Undefined_Bond_Stereo_Count	0
151707353	Molecular_Weight	112.13
54	Undefined_Atom_Stereo_Count	6
28459	Defined_Atom_Stereo_Count	0
104916	TPSA	45.2
87254	Covalent_Unit_Count	1
25245437	Molecular_Weight	688.7
517327	Hydrogen_Bond_Acceptor_Count	3
4913256	Isotope_Atom_Count	0
424747	Hydrogen_Bond_Acceptor_Count	3
3057	Undefined_Atom_Stereo_Count	9
74030550	Molecular_Weight	2002.2
2307	Hydrogen_Bond_Acceptor_Count	7
86183	TPSA	54.1
40279	Hydrogen_Bond_Acceptor_Count	4
11126249	Total_Formal_Charge	0
11355438	Hydrogen_Bond_Acceptor_Count	2
54472110	Defined_Bond_Stereo_Count	0
4545429	Molecular_Weight	391.3
13507024	XLogP3-AA	2.7
6419930	XLogP3	0.6
12302681	Non-hydrogen_Atom_Count	23
8160	Covalent_Unit_Count	1
104967	Hydrogen_Bond_Acceptor_Count	0
22754629	Non-hydrogen_Atom_Count	8
30020	Exact_Mass	130.099379685
452126	TPSA	114
49107	Molecular_Weight	372.3
2734040	Molecular_Weight	377.2
3328	Defined_Atom_Stereo_Count	0
440466	Structure_Complexity	711
265810	Hydrogen_Bond_Donor_Count	2
11355437	Exact_Mass	78.042927438
90470	Exact_Mass	112.052429494
9555	Non-hydrogen_Atom_Count	31
144404363	TPSA	46.3
15775	Tautomer_Count	1
4400696	XLogP3-AA	2.2
16134267	XLogP3-AA	6.2
49865355	Defined_Bond_Stereo_Count	0
5556	Hydrogen_Bond_Donor_Count	0
44456859	Covalent_Unit_Count	1
52931256	Structure_Complexity	927
53806072	Covalent_Unit_Count	1
18000118	Isotope_Atom_Count	0
242493	Undefined_Bond_Stereo_Count	0
13719374	TPSA	20.2
12214987	Hydrogen_Bond_Donor_Count	0
22084396	Defined_Bond_Stereo_Count	0
69540411	Mono_Isotopic_Weight	586.3546303
643774	Hydrogen_Bond_Acceptor_Count	1
66537	Structure_Complexity	205
85025	Total_Formal_Charge	0
227541	Total_Formal_Charge	0
9934492	Hydrogen_Bond_Donor_Count	7
760	Non-hydrogen_Atom_Count	5
99338	XLogP3-AA	1.6
13059495	Defined_Atom_Stereo_Count	6
27430	Mono_Isotopic_Weight	359.1652068
25008765	Undefined_Atom_Stereo_Count	0
6918123	Undefined_Atom_Stereo_Count	0
32069	Tautomer_Count	1
7341	Molecular_Weight	116.16
6961	TPSA	149
5353788	Undefined_Atom_Stereo_Count	0
136305611	Non-hydrogen_Atom_Count	8
21916	TPSA	12.5
21622	Covalent_Unit_Count	1
146159752	Mono_Isotopic_Weight	422.36670574
87825887	Molecular_Weight	107.11
954444	Molecular_Weight	292.2
5019	Total_Formal_Charge	0
132941102	Isotope_Atom_Count	0
8400	Mono_Isotopic_Weight	212.083729621
148135776	Structure_Complexity	121
3033521	Hydrogen_Bond_Donor_Count	5
16906	Undefined_Bond_Stereo_Count	0
11715767	XLogP3-AA	0.6
57401295	XLogP3-AA	3
639662	Defined_Atom_Stereo_Count	0
285	Undefined_Atom_Stereo_Count	0
18732	Molecular_Weight	188.09
6918686	TPSA	119
87700	Total_Formal_Charge	0
16767378	Structure_Complexity	175
76229	Hydrogen_Bond_Donor_Count	1
139502	Structure_Complexity	128
25011729	Isotope_Atom_Count	0
5281034	Undefined_Bond_Stereo_Count	0
46910264	Defined_Bond_Stereo_Count	0
10398490	Isotope_Atom_Count	0
17111	TPSA	29.5
3036507	Defined_Atom_Stereo_Count	12
66041	XLogP3-AA	3.5
5287971	Hydrogen_Bond_Acceptor_Count	8
76579279	Defined_Bond_Stereo_Count	0
28693	Exact_Mass	403.22597718
4460503	Mono_Isotopic_Weight	285.96058025
42104317	Undefined_Atom_Stereo_Count	0
528403	TPSA	26
70693550	Covalent_Unit_Count	1
135412725	TPSA	129
20056682	Rotatable_Bond_Count	8
25563891	Hydrogen_Bond_Acceptor_Count	2
4369579	Molecular_Weight	239.30
830140	Exact_Mass	227.05171847
46783795	Undefined_Bond_Stereo_Count	0
68494	Exact_Mass	286.05897142
12882458	Covalent_Unit_Count	1
24955007	Mono_Isotopic_Weight	566.1586568
72187569	TPSA	95.5
102429819	TPSA	40.5
60196279	Exact_Mass	622.14348889
9579578	Rotatable_Bond_Count	5
5491295	Undefined_Bond_Stereo_Count	0
124003	Hydrogen_Bond_Acceptor_Count	12
23551	Mono_Isotopic_Weight	290.199428076
14920523	Rotatable_Bond_Count	1
6918178	Exact_Mass	484.1828081
598427	TPSA	12
9960	Undefined_Bond_Stereo_Count	0
57823090	Undefined_Atom_Stereo_Count	0
642326	Exact_Mass	99.104799419
887824	Structure_Complexity	377
51358375	Rotatable_Bond_Count	19
112711232	Undefined_Atom_Stereo_Count	0
168076	Rotatable_Bond_Count	2
54608508	Non-hydrogen_Atom_Count	73
2783176	Exact_Mass	115.02335542
129631271	Molecular_Weight	289.15
122612	Structure_Complexity	418
135402009	Total_Formal_Charge	0
5043	Isotope_Atom_Count	0
4437320	Hydrogen_Bond_Acceptor_Count	4
656575	Isotope_Atom_Count	0
12705044	Defined_Bond_Stereo_Count	0
45791180	Defined_Atom_Stereo_Count	0
7177	Total_Formal_Charge	0
56974851	TPSA	38.3
442	Defined_Bond_Stereo_Count	0
2239	Covalent_Unit_Count	1
48845	Covalent_Unit_Count	1
92163	Mono_Isotopic_Weight	256.1342410
72871	Non-hydrogen_Atom_Count	13
25210	Structure_Complexity	125
19933060	Rotatable_Bond_Count	3
24728610	Undefined_Bond_Stereo_Count	0
47825	Defined_Atom_Stereo_Count	0
16719	Undefined_Bond_Stereo_Count	0
6717	Total_Formal_Charge	0
792027	Tautomer_Count	1
11007841	Hydrogen_Bond_Donor_Count	0
444698	Mono_Isotopic_Weight	393.10347926
58291777	Rotatable_Bond_Count	2
17166	Exact_Mass	140.120115130
12636118	TPSA	32.3
37114	Defined_Bond_Stereo_Count	0
11643980	Structure_Complexity	72
22099238	Isotope_Atom_Count	0
86811257	Exact_Mass	114.068079557
71494926	Exact_Mass	844.32837076
656495	Structure_Complexity	638
54046888	Undefined_Atom_Stereo_Count	1
148195	Structure_Complexity	790
33334	Hydrogen_Bond_Acceptor_Count	4
71450703	Mono_Isotopic_Weight	496.09403677
9604654	Covalent_Unit_Count	1
29935	TPSA	23.8
71795	Defined_Atom_Stereo_Count	2
76372196	Undefined_Atom_Stereo_Count	1
19829703	Total_Formal_Charge	0
30921	Exact_Mass	297.1495567
39538	Defined_Atom_Stereo_Count	0
71776101	Undefined_Bond_Stereo_Count	0
4110039	Molecular_Weight	132.16
10700	Defined_Atom_Stereo_Count	0
24785538	Total_Formal_Charge	0
70119	Undefined_Bond_Stereo_Count	0
23667546	Defined_Atom_Stereo_Count	3
44342925	Total_Formal_Charge	0
53477580	Defined_Bond_Stereo_Count	1
3264839	Total_Formal_Charge	0
15565266	Hydrogen_Bond_Acceptor_Count	2
1377	Defined_Atom_Stereo_Count	0
958	Undefined_Bond_Stereo_Count	7
90471707	Rotatable_Bond_Count	6
34633	Covalent_Unit_Count	1
12155512	Rotatable_Bond_Count	2
9090	TPSA	50.6
73082918	Structure_Complexity	811
135738852	Total_Formal_Charge	0
3514	Non-hydrogen_Atom_Count	22
656743	Rotatable_Bond_Count	3
11584	Rotatable_Bond_Count	3
163727	Molecular_Weight	236.10
133550157	TPSA	195
75673	Exact_Mass	265.22664588
135027	Hydrogen_Bond_Acceptor_Count	2
49830590	Rotatable_Bond_Count	6
24892842	Undefined_Atom_Stereo_Count	1
68704	Non-hydrogen_Atom_Count	16
44241626	Structure_Complexity	921
21895922	Rotatable_Bond_Count	0
12777	Undefined_Atom_Stereo_Count	1
13217907	Covalent_Unit_Count	1
6059187	Defined_Atom_Stereo_Count	0
57173187	Total_Formal_Charge	0
17231	Total_Formal_Charge	0
25217475	Total_Formal_Charge	0
7093	Defined_Atom_Stereo_Count	0
45934481	Undefined_Bond_Stereo_Count	0
66704467	Covalent_Unit_Count	1
123178351	Mono_Isotopic_Weight	99.104799419
25077533	Defined_Atom_Stereo_Count	9
7013	Hydrogen_Bond_Acceptor_Count	1
439839	Isotope_Atom_Count	0
743492	Defined_Atom_Stereo_Count	0
5284580	Covalent_Unit_Count	1
22757346	Hydrogen_Bond_Donor_Count	0
221387	Total_Formal_Charge	0
59483380	Undefined_Atom_Stereo_Count	1
6323236	Undefined_Atom_Stereo_Count	0
5321948	Hydrogen_Bond_Acceptor_Count	5
54471	Hydrogen_Bond_Donor_Count	1
443753	TPSA	219
89317	Structure_Complexity	187
88957	Total_Formal_Charge	0
445468	Total_Formal_Charge	0
24838347	Structure_Complexity	187
71451733	Rotatable_Bond_Count	4
24838	Exact_Mass	186.161979940
26249	Defined_Bond_Stereo_Count	0
2757950	Defined_Bond_Stereo_Count	0
53787407	Total_Formal_Charge	0
26650	Mono_Isotopic_Weight	307.17835828
8291	Non-hydrogen_Atom_Count	18
16131215	Hydrogen_Bond_Donor_Count	13
135437285	Isotope_Atom_Count	0
65923	Hydrogen_Bond_Donor_Count	0
50367	Isotope_Atom_Count	0
60196333	Undefined_Atom_Stereo_Count	0
118855445	Hydrogen_Bond_Donor_Count	15
682529	Defined_Atom_Stereo_Count	0
280245	Mono_Isotopic_Weight	247.12084340
518964	Exact_Mass	92.9743320
135527345	Defined_Bond_Stereo_Count	0
5988	Structure_Complexity	395
375860	Tautomer_Count	3
44669160	Defined_Atom_Stereo_Count	0
30214	Hydrogen_Bond_Acceptor_Count	2
596805	Undefined_Bond_Stereo_Count	0
24153	Tautomer_Count	1
5311055	Mono_Isotopic_Weight	364.26269704
15679	Non-hydrogen_Atom_Count	19
537142	Defined_Atom_Stereo_Count	0
11263478	Molecular_Weight	110.15
66692781	Molecular_Weight	277.4
83095	Tautomer_Count	2
2765	Undefined_Bond_Stereo_Count	0
525065	XLogP3-AA	3.1
24829330	Hydrogen_Bond_Donor_Count	3
48622	Undefined_Bond_Stereo_Count	0
27822	Mono_Isotopic_Weight	158.141913202
136010411	Mono_Isotopic_Weight	109.03884512
5284369	Covalent_Unit_Count	1
54595803	Covalent_Unit_Count	1
643216	Hydrogen_Bond_Acceptor_Count	3
6754	Undefined_Bond_Stereo_Count	0
3030770	Covalent_Unit_Count	2
59292	Undefined_Bond_Stereo_Count	0
31398	Rotatable_Bond_Count	0
153305234	Defined_Bond_Stereo_Count	0
237662	Total_Formal_Charge	0
30924	Exact_Mass	163.099714038
102891	Hydrogen_Bond_Acceptor_Count	7
10044792	Molecular_Weight	372.4
147919783	Rotatable_Bond_Count	3
91617740	XLogP3-AA	4.4
25561	Hydrogen_Bond_Acceptor_Count	4
123516214	Total_Formal_Charge	0
121395450	Non-hydrogen_Atom_Count	21
22796701	Isotope_Atom_Count	0
973122	Hydrogen_Bond_Donor_Count	2
101582408	Molecular_Weight	531.6
23617705	Rotatable_Bond_Count	0
86039889	TPSA	17.1
3123	Undefined_Atom_Stereo_Count	1
71311389	Total_Formal_Charge	0
55958	Structure_Complexity	411
59503411	Rotatable_Bond_Count	1
6609	Defined_Bond_Stereo_Count	0
128798	Hydrogen_Bond_Donor_Count	0
13248942	Non-hydrogen_Atom_Count	7
23702	Total_Formal_Charge	0
3054	Non-hydrogen_Atom_Count	20
15889752	Mono_Isotopic_Weight	102.068079557
6942	Isotope_Atom_Count	0
17769889	Hydrogen_Bond_Donor_Count	1
73441	Non-hydrogen_Atom_Count	35
74517	Defined_Atom_Stereo_Count	0
268488	Total_Formal_Charge	0
136335	Undefined_Atom_Stereo_Count	0
165687912	Undefined_Bond_Stereo_Count	0
2734952	Covalent_Unit_Count	3
445621	Isotope_Atom_Count	0
86240135	Undefined_Bond_Stereo_Count	0
5354264	Exact_Mass	126.104465066
122316	Total_Formal_Charge	0
83969	Defined_Atom_Stereo_Count	0
61818	Hydrogen_Bond_Donor_Count	0
14517	Non-hydrogen_Atom_Count	9
97226	Undefined_Bond_Stereo_Count	0
13632	Mono_Isotopic_Weight	141.115364102
25223	Covalent_Unit_Count	1
67291675	Defined_Atom_Stereo_Count	0
46919879	Rotatable_Bond_Count	15
131845646	Exact_Mass	768.00929
12148	Covalent_Unit_Count	1
58890	Molecular_Weight	321.8
24900874	Hydrogen_Bond_Acceptor_Count	7
2568	Non-hydrogen_Atom_Count	10
5487313	Undefined_Bond_Stereo_Count	0
144381	Defined_Bond_Stereo_Count	0
75779	Rotatable_Bond_Count	28
147246033	Mono_Isotopic_Weight	98.073164938
17531	Exact_Mass	345.03707073
73948	Non-hydrogen_Atom_Count	6
13242839	Covalent_Unit_Count	1
11407412	Rotatable_Bond_Count	6
45656	Isotope_Atom_Count	0
3392	Undefined_Atom_Stereo_Count	9
13245711	Rotatable_Bond_Count	0
22988955	Molecular_Weight	100.12
6918140	TPSA	87
5748152	Structure_Complexity	457
9777579	Non-hydrogen_Atom_Count	30
9960569	Hydrogen_Bond_Acceptor_Count	10
533866	Isotope_Atom_Count	0
12242916	Hydrogen_Bond_Acceptor_Count	0
17355	Structure_Complexity	123
154214	Rotatable_Bond_Count	4
24855	Mono_Isotopic_Weight	261.81225
56843898	Exact_Mass	418.013115
87412180	Undefined_Bond_Stereo_Count	0
6258	Defined_Atom_Stereo_Count	0
637932	Exact_Mass	84.05512859
3146689	Defined_Bond_Stereo_Count	0
1201551	Tautomer_Count	1
44366214	TPSA	349
53675483	Exact_Mass	416.32904526
642325	Defined_Bond_Stereo_Count	0
7386	Non-hydrogen_Atom_Count	13
12997	Tautomer_Count	1
9576002	Isotope_Atom_Count	0
10402760	Rotatable_Bond_Count	6
6717	Structure_Complexity	461
13976241	TPSA	32.3
8821	Hydrogen_Bond_Donor_Count	0
4676	Molecular_Weight	339.4
104804	Structure_Complexity	91.5
447994	Mono_Isotopic_Weight	413.09108001
3083444	Hydrogen_Bond_Acceptor_Count	49
16114404	Undefined_Atom_Stereo_Count	0
347271	Mono_Isotopic_Weight	100.063662883
23666342	Covalent_Unit_Count	2
5479527	Defined_Atom_Stereo_Count	2
135392460	Hydrogen_Bond_Acceptor_Count	1
130380	Undefined_Atom_Stereo_Count	0
9980551	Exact_Mass	437.0003825
104781	Hydrogen_Bond_Acceptor_Count	4
520396	Tautomer_Count	1
11768551	TPSA	37.3
13247016	Isotope_Atom_Count	0
528856	Exact_Mass	196.04141403
134879127	Non-hydrogen_Atom_Count	23
36188	Exact_Mass	325.880439
300	Defined_Bond_Stereo_Count	0
12842	Rotatable_Bond_Count	2
448123	Covalent_Unit_Count	1
146157455	Rotatable_Bond_Count	3
67242631	Structure_Complexity	161
3799953	Defined_Atom_Stereo_Count	0
145454105	Hydrogen_Bond_Acceptor_Count	8
987917	Isotope_Atom_Count	0
70308	Defined_Atom_Stereo_Count	0
89268685	XLogP3-AA	0.3
17736	Structure_Complexity	184
56638112	Defined_Atom_Stereo_Count	0
57541268	Mono_Isotopic_Weight	391.20082506
66080	Exact_Mass	96.093900383
23725095	Undefined_Atom_Stereo_Count	0
67736	Tautomer_Count	1
3079842	Isotope_Atom_Count	0
581	Structure_Complexity	148
540335	Total_Formal_Charge	0
20387201	Defined_Atom_Stereo_Count	0
64992	Exact_Mass	235.07053917
29498	Isotope_Atom_Count	0
12002494	Exact_Mass	454.0866393
60803	Hydrogen_Bond_Acceptor_Count	5
54375073	Defined_Atom_Stereo_Count	0
86277	Structure_Complexity	370
6335507	Defined_Atom_Stereo_Count	2
14612499	Non-hydrogen_Atom_Count	7
142299	Rotatable_Bond_Count	0
94169	Hydrogen_Bond_Acceptor_Count	11
150309	Mono_Isotopic_Weight	303.162314293
132281917	Molecular_Weight	578.3
138319323	Structure_Complexity	756
15273943	Covalent_Unit_Count	1
12248	Hydrogen_Bond_Acceptor_Count	1
2137	Hydrogen_Bond_Donor_Count	1
15394	Undefined_Atom_Stereo_Count	0
59680984	Hydrogen_Bond_Acceptor_Count	1
11069	Molecular_Weight	422.5
25127713	Undefined_Bond_Stereo_Count	0
276561	XLogP3-AA	0.9
117768413	Non-hydrogen_Atom_Count	12
145731381	Rotatable_Bond_Count	13
8477	TPSA	100
11789136	Isotope_Atom_Count	0
5311067	Rotatable_Bond_Count	2
736188	Non-hydrogen_Atom_Count	20
163798512	Hydrogen_Bond_Donor_Count	7
52007	Total_Formal_Charge	0
286595	Non-hydrogen_Atom_Count	9
13246222	Tautomer_Count	1
58774648	Isotope_Atom_Count	0
8142	Structure_Complexity	43.8
99564	Defined_Bond_Stereo_Count	0
9865929	Hydrogen_Bond_Donor_Count	2
54492709	Isotope_Atom_Count	0
92389	Covalent_Unit_Count	1
161236	Structure_Complexity	372
145705672	Hydrogen_Bond_Donor_Count	4
6538985	Total_Formal_Charge	0
134692450	TPSA	162
18680274	Structure_Complexity	519
124541742	Molecular_Weight	378.5
541384	Defined_Bond_Stereo_Count	0
163316	Molecular_Weight	187.24
14325614	Exact_Mass	105.078978594
5281067	Covalent_Unit_Count	2
68602320	Structure_Complexity	141
15677	Undefined_Bond_Stereo_Count	0
101821020	Covalent_Unit_Count	2
66703	Undefined_Atom_Stereo_Count	0
6321432	Mono_Isotopic_Weight	645.23224432
124635203	Hydrogen_Bond_Donor_Count	8
14294923	Non-hydrogen_Atom_Count	8
721436	Defined_Atom_Stereo_Count	1
9823781	Defined_Bond_Stereo_Count	0
53903667	Structure_Complexity	93.2
44352909	Undefined_Bond_Stereo_Count	0
12639	XLogP3-AA	0.3
556209	Non-hydrogen_Atom_Count	7
53856389	Defined_Atom_Stereo_Count	0
3033821	Molecular_Weight	335.4
135565596	Covalent_Unit_Count	1
99824	Isotope_Atom_Count	0
34072	Molecular_Weight	114.19
5282494	Exact_Mass	446.26683893
89479318	Isotope_Atom_Count	0
79323706	Undefined_Bond_Stereo_Count	0
34005	Structure_Complexity	56
68739127	Total_Formal_Charge	0
72022	Defined_Bond_Stereo_Count	0
6847	Total_Formal_Charge	0
6971018	Undefined_Atom_Stereo_Count	0
10197612	Covalent_Unit_Count	1
9906614	Exact_Mass	354.21949481
102032439	TPSA	68.4
28187	Non-hydrogen_Atom_Count	14
13198341	Hydrogen_Bond_Acceptor_Count	3
53484290	Hydrogen_Bond_Acceptor_Count	2
2476	Hydrogen_Bond_Acceptor_Count	5
834146	Rotatable_Bond_Count	1
138813	Exact_Mass	96.057514874
11466	Defined_Bond_Stereo_Count	0
725544	Hydrogen_Bond_Donor_Count	2
12275055	Undefined_Bond_Stereo_Count	0
43834572	Isotope_Atom_Count	0
5363229	Rotatable_Bond_Count	4
89504167	Structure_Complexity	284
59295925	Molecular_Weight	568.5
6371716	Defined_Bond_Stereo_Count	3
253	Hydrogen_Bond_Donor_Count	3
24578	Defined_Atom_Stereo_Count	0
12707110	Mono_Isotopic_Weight	85.052763847
628904	Hydrogen_Bond_Donor_Count	1
5281706	Non-hydrogen_Atom_Count	22
76840	Isotope_Atom_Count	0
17754081	Structure_Complexity	98
138394156	Isotope_Atom_Count	0
13180929	Molecular_Weight	108.14
45488115	Total_Formal_Charge	0
5484438	Mono_Isotopic_Weight	407.19440226
900090	Structure_Complexity	355
139202065	Defined_Atom_Stereo_Count	2
3911	Mono_Isotopic_Weight	1208.64546218
7750	Structure_Complexity	76.1
14523561	Rotatable_Bond_Count	9
71541190	Undefined_Bond_Stereo_Count	0
6788	Covalent_Unit_Count	1
13401731	TPSA	21.9
14813	Defined_Atom_Stereo_Count	0
443369	Hydrogen_Bond_Acceptor_Count	9
630355	Isotope_Atom_Count	0
123672484	TPSA	21.6
97469	XLogP3-AA	0.9
23709629	Total_Formal_Charge	0
54022694	Non-hydrogen_Atom_Count	8
271	Rotatable_Bond_Count	0
22304	Structure_Complexity	308
86233	Exact_Mass	317.1294900
19040	Structure_Complexity	59.4
4294	Rotatable_Bond_Count	4
90410375	Undefined_Atom_Stereo_Count	0
16051495	Rotatable_Bond_Count	5
1810216	Mono_Isotopic_Weight	84.032362755
37686	Undefined_Bond_Stereo_Count	0
524640	Structure_Complexity	96.6
9465	Defined_Bond_Stereo_Count	0
5482	Hydrogen_Bond_Donor_Count	0
171829	Undefined_Atom_Stereo_Count	0
3025986	Isotope_Atom_Count	0
37910	Defined_Atom_Stereo_Count	0
10430450	Structure_Complexity	566
2192	Covalent_Unit_Count	1
85489	XLogP3-AA	13.9
13236258	Mono_Isotopic_Weight	99.068413911
51399572	Molecular_Weight	499.6
119097373	Hydrogen_Bond_Donor_Count	1
442636	Undefined_Bond_Stereo_Count	0
6426854	TPSA	66.4
84552	XLogP3-AA	0.8
44266427	Mono_Isotopic_Weight	282.14672380
1131	Hydrogen_Bond_Acceptor_Count	8
32742	Hydrogen_Bond_Acceptor_Count	2
22274936	Hydrogen_Bond_Acceptor_Count	7
11705141	XLogP3-AA	4.5
16219160	Undefined_Bond_Stereo_Count	0
65490	Covalent_Unit_Count	1
91981561	Hydrogen_Bond_Acceptor_Count	5
9568077	Rotatable_Bond_Count	6
459494	Covalent_Unit_Count	1
12668	Molecular_Weight	162.27
222714	Defined_Bond_Stereo_Count	0
94310	Covalent_Unit_Count	1
16719	Undefined_Atom_Stereo_Count	0
22383	Rotatable_Bond_Count	6
13883023	Mono_Isotopic_Weight	1483.406877
11147687	Hydrogen_Bond_Donor_Count	1
295971	Tautomer_Count	1
164543616	Mono_Isotopic_Weight	113.047678466
44400351	Defined_Bond_Stereo_Count	0
21585056	Hydrogen_Bond_Acceptor_Count	2
11630874	Mono_Isotopic_Weight	305.01580707
71578106	Covalent_Unit_Count	1
123840004	Hydrogen_Bond_Acceptor_Count	0
9877608	Isotope_Atom_Count	0
54960	Total_Formal_Charge	0
21152	Rotatable_Bond_Count	3
136790	Rotatable_Bond_Count	3
51931	Structure_Complexity	208
225	Exact_Mass	290.224580195
51051642	Hydrogen_Bond_Acceptor_Count	17
68546	TPSA	107
10018576	Mono_Isotopic_Weight	315.13313942
88481085	Mono_Isotopic_Weight	424.37925923
155353470	Structure_Complexity	32.9
118988145	Total_Formal_Charge	0
19077508	Undefined_Bond_Stereo_Count	0
69016240	Hydrogen_Bond_Donor_Count	3
169109	Molecular_Weight	215.25
136796	Hydrogen_Bond_Acceptor_Count	0
23488	Structure_Complexity	213
19700	Total_Formal_Charge	0
16051495	Non-hydrogen_Atom_Count	31
67519	Tautomer_Count	2
2734176	Non-hydrogen_Atom_Count	17
62105	Covalent_Unit_Count	1
6438376	TPSA	135
1317	Rotatable_Bond_Count	9
50561	TPSA	99.9
219608	Undefined_Bond_Stereo_Count	0
136120826	Defined_Bond_Stereo_Count	0
13018787	TPSA	93
5351447	Rotatable_Bond_Count	5
16637767	Total_Formal_Charge	0
8222	Molecular_Weight	282.5
3410	Undefined_Bond_Stereo_Count	0
21016055	Rotatable_Bond_Count	0
21122	Undefined_Atom_Stereo_Count	0
181287	Isotope_Atom_Count	0
25014810	Exact_Mass	277.13274550
56842070	Undefined_Atom_Stereo_Count	0
11317883	Molecular_Weight	493.5
13140652	Defined_Bond_Stereo_Count	0
11088	Covalent_Unit_Count	1
135659030	Total_Formal_Charge	0
20475566	Total_Formal_Charge	0
565005	Structure_Complexity	123
12021	Undefined_Atom_Stereo_Count	0
46916694	Mono_Isotopic_Weight	432.15460314
2781343	Isotope_Atom_Count	0
135445749	TPSA	204
17963201	Undefined_Bond_Stereo_Count	0
19884492	Non-hydrogen_Atom_Count	7
16960	Mono_Isotopic_Weight	318.07316
19621	Hydrogen_Bond_Acceptor_Count	13
126664809	Hydrogen_Bond_Acceptor_Count	5
55285488	Non-hydrogen_Atom_Count	7
70807	Total_Formal_Charge	0
3081459	Hydrogen_Bond_Donor_Count	0
12298	Undefined_Atom_Stereo_Count	0
71623221	Undefined_Bond_Stereo_Count	0
14476155	Mono_Isotopic_Weight	324.14739250
808	TPSA	389
3306	Defined_Atom_Stereo_Count	0
56755	Exact_Mass	298.051880
6514	Total_Formal_Charge	0
84071885	Exact_Mass	116.058577502
21037713	Isotope_Atom_Count	0
19991465	Undefined_Bond_Stereo_Count	0
91323352	Exact_Mass	453.04129018
123835510	TPSA	49.7
7366	Mono_Isotopic_Weight	134.109550447
4714721	Total_Formal_Charge	0
10448938	Rotatable_Bond_Count	4
843179	Hydrogen_Bond_Acceptor_Count	4
89484493	Undefined_Bond_Stereo_Count	0
11652923	Molecular_Weight	335.4
98047376	Hydrogen_Bond_Donor_Count	1
123167	XLogP3	3.4
46783812	Covalent_Unit_Count	5
826479	Isotope_Atom_Count	0
18684896	Total_Formal_Charge	0
76971016	Rotatable_Bond_Count	6
444022	Defined_Atom_Stereo_Count	6
6536864	Defined_Bond_Stereo_Count	1
45789889	Structure_Complexity	49.5
135398733	Covalent_Unit_Count	1
123935295	Defined_Bond_Stereo_Count	0
167305	Defined_Bond_Stereo_Count	0
10158453	Undefined_Bond_Stereo_Count	0
67535	Exact_Mass	189.078978594
66532	Hydrogen_Bond_Donor_Count	0
445561	Structure_Complexity	1140
3578945	Defined_Atom_Stereo_Count	0
10701806	Molecular_Weight	114.14
56283	Hydrogen_Bond_Acceptor_Count	7
15070	Covalent_Unit_Count	1
9916282	Rotatable_Bond_Count	12
90827926	TPSA	9.2
289807	Structure_Complexity	366
16051921	Undefined_Bond_Stereo_Count	0
3081304	Structure_Complexity	558
56663315	Undefined_Atom_Stereo_Count	0
6999941	TPSA	17.1
17684448	Structure_Complexity	279
13991589	Isotope_Atom_Count	0
10090192	Molecular_Weight	364.5
11954316	Undefined_Bond_Stereo_Count	0
88344183	Defined_Atom_Stereo_Count	0
67247971	Molecular_Weight	406.4
86422	Hydrogen_Bond_Donor_Count	1
146681950	Defined_Atom_Stereo_Count	18
455041	Defined_Atom_Stereo_Count	2
65351	Mono_Isotopic_Weight	147.01764164
11979956	TPSA	719
91902981	Covalent_Unit_Count	1
129652019	Defined_Bond_Stereo_Count	0
208922	Isotope_Atom_Count	0
92921	Exact_Mass	390.18425212
135431272	TPSA	67.5
53687318	Hydrogen_Bond_Donor_Count	3
21639832	Molecular_Weight	101.15
11771234	Hydrogen_Bond_Donor_Count	2
24608	Undefined_Bond_Stereo_Count	0
53346589	Isotope_Atom_Count	0
13215601	Undefined_Bond_Stereo_Count	0
250451	Hydrogen_Bond_Acceptor_Count	2
66684	Molecular_Weight	339.2
102249560	Total_Formal_Charge	0
31356	Undefined_Bond_Stereo_Count	0
6009	TPSA	26.8
56842070	Defined_Atom_Stereo_Count	0
636345	Covalent_Unit_Count	1
145627882	TPSA	21.6
8288	Isotope_Atom_Count	0
53479	Undefined_Atom_Stereo_Count	0
20232381	XLogP3-AA	1
5407	Defined_Bond_Stereo_Count	0
89881183	Exact_Mass	396.1101515
512289	Hydrogen_Bond_Donor_Count	1
74080	Defined_Bond_Stereo_Count	0
24848783	TPSA	93.1
57445155	Covalent_Unit_Count	1
208922	Hydrogen_Bond_Donor_Count	0
4921	Rotatable_Bond_Count	23
12465459	Non-hydrogen_Atom_Count	8
70695760	Defined_Atom_Stereo_Count	0
12755803	Isotope_Atom_Count	0
54759	Covalent_Unit_Count	2
77763	Undefined_Atom_Stereo_Count	0
13826	Mono_Isotopic_Weight	118.04907545
21576696	Total_Formal_Charge	1
107977	Isotope_Atom_Count	0
23338788	Isotope_Atom_Count	0
101534	Mono_Isotopic_Weight	240.14739250
11548000	Molecular_Weight	510.7
23692768	Defined_Atom_Stereo_Count	0
16606	Undefined_Bond_Stereo_Count	0
65452	Exact_Mass	764.50746311
21751982	Undefined_Atom_Stereo_Count	0
8870	Defined_Bond_Stereo_Count	0
439530	Total_Formal_Charge	0
85238	TPSA	24.1
65565	Defined_Atom_Stereo_Count	0
137948991	TPSA	42
16741878	Rotatable_Bond_Count	15
6321340	Non-hydrogen_Atom_Count	61
75516	Total_Formal_Charge	0
162990680	Hydrogen_Bond_Donor_Count	7
36979	Undefined_Bond_Stereo_Count	0
92764	Exact_Mass	254.109550447
15778463	TPSA	26.3
123462301	TPSA	48
11594966	Defined_Atom_Stereo_Count	0
6992032	Hydrogen_Bond_Donor_Count	2
13776	Mono_Isotopic_Weight	516.23277935
54519	Hydrogen_Bond_Donor_Count	2
54046302	Covalent_Unit_Count	1
154544	Non-hydrogen_Atom_Count	17
9940999	Molecular_Weight	419.2
5086	Exact_Mass	265.06851135
211468	Defined_Bond_Stereo_Count	0
45116616	Hydrogen_Bond_Acceptor_Count	2
67050751	Structure_Complexity	70.1
54084075	Rotatable_Bond_Count	4
2837669	Structure_Complexity	261
443873	Tautomer_Count	2
67512	Defined_Atom_Stereo_Count	0
98306	Undefined_Bond_Stereo_Count	1
4098	XLogP3-AA	2.6
38910	TPSA	0
9903970	Structure_Complexity	363
11000	Covalent_Unit_Count	1
9923	XLogP3-AA	1.5
2437245	Molecular_Weight	180.20
674572	Defined_Bond_Stereo_Count	0
3478696	Undefined_Bond_Stereo_Count	0
12805738	Undefined_Bond_Stereo_Count	0
6420	Tautomer_Count	1
65477	Mono_Isotopic_Weight	219.0581549
89138978	Defined_Bond_Stereo_Count	0
68410	Non-hydrogen_Atom_Count	6
55276371	Defined_Bond_Stereo_Count	0
54289557	Mono_Isotopic_Weight	132.115029749
101417452	Covalent_Unit_Count	5
21824035	Hydrogen_Bond_Acceptor_Count	3
6255	Defined_Atom_Stereo_Count	10
4874	Hydrogen_Bond_Donor_Count	2
10442251	Non-hydrogen_Atom_Count	13
30143	Defined_Bond_Stereo_Count	0
160435425	Hydrogen_Bond_Donor_Count	0
101094784	Non-hydrogen_Atom_Count	28
14970970	Undefined_Atom_Stereo_Count	1
3907	Exact_Mass	625.30330126
11271730	TPSA	6.2
20387220	Hydrogen_Bond_Acceptor_Count	1
11610354	Isotope_Atom_Count	0
142859	Undefined_Atom_Stereo_Count	0
437719	Undefined_Atom_Stereo_Count	0
24737670	Hydrogen_Bond_Acceptor_Count	5
7824	Rotatable_Bond_Count	5
123933412	Structure_Complexity	174
15466	Tautomer_Count	4
177976	Mono_Isotopic_Weight	375.16818752
165611944	Non-hydrogen_Atom_Count	8
13032471	Defined_Bond_Stereo_Count	0
72568	Hydrogen_Bond_Acceptor_Count	4
28961	Exact_Mass	73.016378338
89253146	Undefined_Bond_Stereo_Count	0
72950888	Hydrogen_Bond_Donor_Count	1
226108	Structure_Complexity	64.4
8718	TPSA	34.1
53323739	Hydrogen_Bond_Acceptor_Count	4
65840	Structure_Complexity	82.7
12502754	Molecular_Weight	97.12
24884255	Non-hydrogen_Atom_Count	22
14373	Hydrogen_Bond_Acceptor_Count	2
3716971	Exact_Mass	88.98748351
69975	Defined_Atom_Stereo_Count	0
21917311	Structure_Complexity	293
736	Defined_Bond_Stereo_Count	0
7076	Undefined_Atom_Stereo_Count	0
5497163	Defined_Atom_Stereo_Count	0
13653621	Structure_Complexity	636
50491	Undefined_Bond_Stereo_Count	0
14147082	Defined_Bond_Stereo_Count	0
1854	Isotope_Atom_Count	0
20497	Exact_Mass	106.062994177
2968	Isotope_Atom_Count	0
139150	XLogP3-AA	1.6
2724032	Hydrogen_Bond_Donor_Count	1
59483386	Covalent_Unit_Count	1
124655	Defined_Atom_Stereo_Count	0
54288820	Undefined_Atom_Stereo_Count	1
12682	Non-hydrogen_Atom_Count	9
9868452	Isotope_Atom_Count	0
11988286	Defined_Bond_Stereo_Count	0
70678557	Hydrogen_Bond_Donor_Count	78
11093	Structure_Complexity	80.6
22623468	Mono_Isotopic_Weight	99.104799419
9508	XLogP3-AA	0
63650	Isotope_Atom_Count	0
44454985	XLogP3-AA	2.2
3345	Non-hydrogen_Atom_Count	25
68739327	Defined_Bond_Stereo_Count	0
13713368	Molecular_Weight	395.0
123392765	Exact_Mass	363.19467705
5330197	Defined_Bond_Stereo_Count	0
68539	Defined_Atom_Stereo_Count	0
5281004	Defined_Atom_Stereo_Count	8
23541	Undefined_Bond_Stereo_Count	0
67350	Structure_Complexity	338
626732	Mono_Isotopic_Weight	330.21949481
84041	Isotope_Atom_Count	0
25102936	Defined_Bond_Stereo_Count	0
140982253	Hydrogen_Bond_Acceptor_Count	1
13598997	Covalent_Unit_Count	1
49909	TPSA	36.9
17435	Mono_Isotopic_Weight	320.03058836
135398645	Molecular_Weight	457.4
5353510	TPSA	201
11485687	Mono_Isotopic_Weight	376.10347683
12260467	Non-hydrogen_Atom_Count	8
154419142	Non-hydrogen_Atom_Count	8
5158	TPSA	431
84871	Exact_Mass	466.111476
6420023	Hydrogen_Bond_Acceptor_Count	26
84	Structure_Complexity	1610
39793	Defined_Bond_Stereo_Count	0
16697	Defined_Atom_Stereo_Count	0
68321915	Isotope_Atom_Count	0
123167244	TPSA	18.5
5497171	TPSA	151
141093	Non-hydrogen_Atom_Count	6
39765	Mono_Isotopic_Weight	557.43183330
18974460	Total_Formal_Charge	0
3081561	Exact_Mass	1679.5653479
3296738	XLogP3-AA	2.4
135754	Structure_Complexity	563
7090	Hydrogen_Bond_Donor_Count	1
6433117	Isotope_Atom_Count	0
1050	Covalent_Unit_Count	1
59087	Non-hydrogen_Atom_Count	22
447546	Non-hydrogen_Atom_Count	33
87032	Non-hydrogen_Atom_Count	14
139087394	Defined_Bond_Stereo_Count	0
20590622	Isotope_Atom_Count	0
12358373	XLogP3-AA	0.9
8742	Non-hydrogen_Atom_Count	12
3081938	Structure_Complexity	417
153627081	Molecular_Weight	102.14
21879777	XLogP3-AA	1.1
11990755	Rotatable_Bond_Count	4
66102	Exact_Mass	246.08920892
6437801	Hydrogen_Bond_Donor_Count	0
20067321	TPSA	28.7
487	Structure_Complexity	103
98324	Undefined_Atom_Stereo_Count	1
47676	Covalent_Unit_Count	1
32593	Hydrogen_Bond_Donor_Count	0
12642	Isotope_Atom_Count	0
51138321	Defined_Bond_Stereo_Count	0
138394128	Mono_Isotopic_Weight	624.171497
19751	Hydrogen_Bond_Donor_Count	0
82148	Mono_Isotopic_Weight	243.125928785
22172	Undefined_Bond_Stereo_Count	0
11427553	Exact_Mass	332.16371127
49993	XLogP3-AA	3.1
53477948	Hydrogen_Bond_Donor_Count	1
66727	TPSA	42.2
3117	Mono_Isotopic_Weight	296.05093334
70695634	Structure_Complexity	574
101609	Undefined_Bond_Stereo_Count	0
99129	Covalent_Unit_Count	1
26470417	Isotope_Atom_Count	0
15166013	Covalent_Unit_Count	1
57417230	Hydrogen_Bond_Acceptor_Count	12
70682584	Exact_Mass	438.18379527
928095	XLogP3-AA	1.1
76326	TPSA	26.3
76583	Total_Formal_Charge	0
16656	Exact_Mass	128.156500638
70967	Exact_Mass	146.084398327
2049	Undefined_Atom_Stereo_Count	0
121903	Isotope_Atom_Count	0
47167	Covalent_Unit_Count	1
7048538	Exact_Mass	299.201105100
18324177	Defined_Atom_Stereo_Count	0
11414	XLogP3	3.6
126969105	Undefined_Bond_Stereo_Count	0
131225344	Rotatable_Bond_Count	0
5282443	Exact_Mass	278.178298710
30692	XLogP3	3.1
10957	Rotatable_Bond_Count	3
58513815	Exact_Mass	98.084398327
5839	TPSA	91.7
10498042	XLogP3-AA	6.2
9844833	Molecular_Weight	416.6
442636	Undefined_Atom_Stereo_Count	0
54603930	Covalent_Unit_Count	2
68704	Defined_Bond_Stereo_Count	0
12488467	Isotope_Atom_Count	0
15817	Defined_Bond_Stereo_Count	0
7225	XLogP3-AA	2.2
289031	Rotatable_Bond_Count	3
81047	XLogP3-AA	5.3
6450522	Undefined_Atom_Stereo_Count	1
65770	Undefined_Atom_Stereo_Count	1
519793	Isotope_Atom_Count	0
13029605	Covalent_Unit_Count	1
20	Exact_Mass	182.05790880
28689	Covalent_Unit_Count	1
56673673	XLogP3	1
248333	Undefined_Bond_Stereo_Count	0
9347	Molecular_Weight	659.0
129864896	Covalent_Unit_Count	1
869249	Rotatable_Bond_Count	1
53710320	Non-hydrogen_Atom_Count	7
56948400	Hydrogen_Bond_Donor_Count	5
362	Rotatable_Bond_Count	0
23466227	Structure_Complexity	118
150868	Non-hydrogen_Atom_Count	14
22502	Defined_Atom_Stereo_Count	3
44408	Structure_Complexity	346
5287736	Undefined_Bond_Stereo_Count	0
12646624	TPSA	38
11661757	Covalent_Unit_Count	2
10290728	Hydrogen_Bond_Acceptor_Count	1
54726192	Non-hydrogen_Atom_Count	40
54303301	XLogP3-AA	2.7
11255	Hydrogen_Bond_Donor_Count	0
11349000	Molecular_Weight	362.4
2846	Non-hydrogen_Atom_Count	48
27400	Non-hydrogen_Atom_Count	21
6446980	Rotatable_Bond_Count	1
11474	Total_Formal_Charge	0
26470417	Defined_Bond_Stereo_Count	0
17779928	Hydrogen_Bond_Acceptor_Count	0
44414758	TPSA	55.1
48670	TPSA	39.2
16186010	Hydrogen_Bond_Acceptor_Count	20
80108693	Hydrogen_Bond_Acceptor_Count	2
139024314	Covalent_Unit_Count	1
66913	Total_Formal_Charge	0
91759533	Isotope_Atom_Count	0
1507	TPSA	87.6
12471321	Defined_Bond_Stereo_Count	0
2218	Covalent_Unit_Count	1
15191343	Covalent_Unit_Count	1
130224237	Undefined_Bond_Stereo_Count	0
4577573	Hydrogen_Bond_Acceptor_Count	5
14168316	Isotope_Atom_Count	0
20055294	Structure_Complexity	1330
136219154	Defined_Atom_Stereo_Count	0
193168	Undefined_Atom_Stereo_Count	0
12285877	Undefined_Atom_Stereo_Count	0
124744577	Isotope_Atom_Count	0
911	Hydrogen_Bond_Acceptor_Count	4
4167	TPSA	28.5
12491241	Defined_Atom_Stereo_Count	0
441244	Defined_Atom_Stereo_Count	0
11628328	Structure_Complexity	962
9963894	Hydrogen_Bond_Acceptor_Count	44
98207156	Undefined_Atom_Stereo_Count	0
154342062	Total_Formal_Charge	0
9474	Structure_Complexity	90.3
123143	Isotope_Atom_Count	0
56520	Molecular_Weight	253.34
87457638	Defined_Atom_Stereo_Count	0
18669439	Rotatable_Bond_Count	0
2200	Hydrogen_Bond_Acceptor_Count	2
54682458	Structure_Complexity	944
74318	Structure_Complexity	191
8104	Structure_Complexity	72.2
11655511	Non-hydrogen_Atom_Count	33
72332	Hydrogen_Bond_Donor_Count	2
11862	Hydrogen_Bond_Donor_Count	1
75274	XLogP3-AA	0.5
44472635	Structure_Complexity	782
135445165	Mono_Isotopic_Weight	411.14705815
5367706	Structure_Complexity	203
92326	Exact_Mass	268.157563266
98694	Undefined_Bond_Stereo_Count	0
426	Tautomer_Count	2
22227703	Isotope_Atom_Count	0
8489	Hydrogen_Bond_Acceptor_Count	2
776222	Undefined_Atom_Stereo_Count	0
21138	Hydrogen_Bond_Acceptor_Count	3
196330	Undefined_Bond_Stereo_Count	0
81784	Tautomer_Count	1
137606	Defined_Bond_Stereo_Count	0
73943	XLogP3-AA	0.9
83478541	TPSA	26.3
524766	Mono_Isotopic_Weight	95.073499291
135499741	Defined_Bond_Stereo_Count	0
71448903	Mono_Isotopic_Weight	851.17272513
20798615	Total_Formal_Charge	0
5281605	Rotatable_Bond_Count	1
6917839	Isotope_Atom_Count	0
34870	Covalent_Unit_Count	1
163751	Defined_Bond_Stereo_Count	0
17769620	Isotope_Atom_Count	0
11519070	Mono_Isotopic_Weight	428.258954327
4271	TPSA	94.5
221387	Tautomer_Count	2
12511	Undefined_Bond_Stereo_Count	0
70680970	Defined_Atom_Stereo_Count	0
163685	Structure_Complexity	511
13400658	Molecular_Weight	87.12
21585056	Undefined_Bond_Stereo_Count	0
10364	Hydrogen_Bond_Acceptor_Count	1
54069261	Defined_Atom_Stereo_Count	0
190	Total_Formal_Charge	0
941385	Exact_Mass	352.0713660
10773225	Rotatable_Bond_Count	1
23706212	Total_Formal_Charge	0
10898663	Undefined_Atom_Stereo_Count	1
16957	Undefined_Atom_Stereo_Count	0
3605	Molecular_Weight	865.7
54231313	Undefined_Bond_Stereo_Count	0
11137890	Exact_Mass	188.177630004
136224833	Rotatable_Bond_Count	3
135398003	Undefined_Bond_Stereo_Count	0
66117	Structure_Complexity	142
53480	Covalent_Unit_Count	1
675242	Defined_Bond_Stereo_Count	0
7096	TPSA	15.3
56340	Non-hydrogen_Atom_Count	20
3017320	Mono_Isotopic_Weight	96.093900383
1712095	Defined_Atom_Stereo_Count	0
156592279	Defined_Bond_Stereo_Count	1
6450478	Exact_Mass	340.08163887
17215	Isotope_Atom_Count	0
58750499	TPSA	29.6
170359	Isotope_Atom_Count	0
44310721	Mono_Isotopic_Weight	415.1429471
97390	Rotatable_Bond_Count	0
129009962	Structure_Complexity	3480
693050	Undefined_Bond_Stereo_Count	0
6803597	Non-hydrogen_Atom_Count	26
25323	Non-hydrogen_Atom_Count	11
5388983	Undefined_Bond_Stereo_Count	0
3058839	XLogP3-AA	3
25094902	XLogP3-AA	2.4
146027509	Molecular_Weight	527.5
20439251	Undefined_Atom_Stereo_Count	1
70207914	Hydrogen_Bond_Donor_Count	1
24883466	Rotatable_Bond_Count	15
5312804	Undefined_Atom_Stereo_Count	0
134826475	Structure_Complexity	809
11260561	Undefined_Atom_Stereo_Count	0
23695542	Structure_Complexity	302
17134	Undefined_Atom_Stereo_Count	0
22628	Exact_Mass	380.93066
8176	Isotope_Atom_Count	0
18798586	Exact_Mass	112.125200510
11094960	Structure_Complexity	121
13193732	Molecular_Weight	111.14
3964633	Undefined_Bond_Stereo_Count	0
10275789	Rotatable_Bond_Count	4
44126083	XLogP3-AA	3.2
219608	Defined_Atom_Stereo_Count	0
14888	Defined_Atom_Stereo_Count	0
5362051	Mono_Isotopic_Weight	636.15196282
15816	Molecular_Weight	216.27
610682	Mono_Isotopic_Weight	210.115698455
16154490	Structure_Complexity	3940
274080	Isotope_Atom_Count	0
4314	Covalent_Unit_Count	1
44560703	Hydrogen_Bond_Acceptor_Count	4
9821941	Structure_Complexity	593
20100130	Exact_Mass	257.05104977
12363650	Isotope_Atom_Count	0
81426	Isotope_Atom_Count	0
131704316	Defined_Atom_Stereo_Count	0
54378536	Undefined_Atom_Stereo_Count	0
13306871	Structure_Complexity	66.5
3832	Exact_Mass	347.12296866
6074	Defined_Bond_Stereo_Count	0
7454	Hydrogen_Bond_Donor_Count	0
34148	Exact_Mass	368.11774614
68944676	Defined_Bond_Stereo_Count	0
13492441	Molecular_Weight	109.13
32281	Undefined_Atom_Stereo_Count	3
7756	Hydrogen_Bond_Acceptor_Count	2
10313077	Hydrogen_Bond_Acceptor_Count	1
5289159	Hydrogen_Bond_Donor_Count	1
89534431	XLogP3-AA	0.6
21618092	Exact_Mass	111.104799419
948323	Defined_Atom_Stereo_Count	0
16129703	Molecular_Weight	6963
11136668	Non-hydrogen_Atom_Count	63
6918589	Covalent_Unit_Count	1
535634	Defined_Bond_Stereo_Count	0
11789162	Hydrogen_Bond_Donor_Count	1
14527402	Hydrogen_Bond_Donor_Count	0
90488914	Rotatable_Bond_Count	6
71316600	Isotope_Atom_Count	0
22591	Defined_Bond_Stereo_Count	0
10131842	Rotatable_Bond_Count	8
6319	Molecular_Weight	260.3
54684598	Covalent_Unit_Count	1
54676715	Covalent_Unit_Count	1
12001831	TPSA	97.3
26130	Rotatable_Bond_Count	1
25137873	Molecular_Weight	767.0
9297	Undefined_Bond_Stereo_Count	0
63079	Total_Formal_Charge	0
9098	Mono_Isotopic_Weight	172.09218630
441364	Total_Formal_Charge	0
6399027	Structure_Complexity	140
101210282	Mono_Isotopic_Weight	90.0469501914
12599701	Exact_Mass	102.068079557
7441	Hydrogen_Bond_Acceptor_Count	3
737157	Hydrogen_Bond_Donor_Count	1
4874	Hydrogen_Bond_Acceptor_Count	5
214	Tautomer_Count	3
12271341	Defined_Atom_Stereo_Count	0
2734246	Defined_Atom_Stereo_Count	0
4684505	Mono_Isotopic_Weight	338.08668395
115763542	Mono_Isotopic_Weight	99.032028402
18324766	Defined_Atom_Stereo_Count	0
87279497	Hydrogen_Bond_Donor_Count	4
12304501	Undefined_Atom_Stereo_Count	0
135019886	Exact_Mass	342.11621151
5288075	Non-hydrogen_Atom_Count	54
5282209	TPSA	120
56859	XLogP3-AA	2.9
22939741	Defined_Atom_Stereo_Count	0
11829354	Non-hydrogen_Atom_Count	6
59750537	Defined_Bond_Stereo_Count	0
20729555	Exact_Mass	114.104465066
132594558	Undefined_Atom_Stereo_Count	1
10189783	Isotope_Atom_Count	0
57391320	Exact_Mass	422.17427596
65287	Undefined_Bond_Stereo_Count	1
11954316	Defined_Atom_Stereo_Count	0
550525	Undefined_Bond_Stereo_Count	0
45358055	Structure_Complexity	507
10819	Rotatable_Bond_Count	2
58737	Hydrogen_Bond_Acceptor_Count	2
14511	Undefined_Atom_Stereo_Count	0
67258371	Structure_Complexity	85.8
5287541	Exact_Mass	309.06709375
9418	Mono_Isotopic_Weight	331.1451400
5282947	Molecular_Weight	296.4
21749202	Structure_Complexity	78.6
63896	Defined_Bond_Stereo_Count	0
126970904	Hydrogen_Bond_Donor_Count	1
12180	Covalent_Unit_Count	1
2733279	Hydrogen_Bond_Acceptor_Count	3
1255	Total_Formal_Charge	0
44946	Defined_Bond_Stereo_Count	0
443158	Molecular_Weight	154.25
4615	Molecular_Weight	426.6
52083990	Isotope_Atom_Count	0
68847	Defined_Bond_Stereo_Count	0
656911	Molecular_Weight	247.30
6604200	Hydrogen_Bond_Donor_Count	1
70032924	Non-hydrogen_Atom_Count	7
148837046	Hydrogen_Bond_Donor_Count	1
54556023	Mono_Isotopic_Weight	113.084063974
69253	Structure_Complexity	133
628127	Isotope_Atom_Count	0
4369502	Isotope_Atom_Count	0
67435898	Defined_Atom_Stereo_Count	0
54075	Total_Formal_Charge	0
90460054	Undefined_Atom_Stereo_Count	1
15027981	Rotatable_Bond_Count	0
11408688	Defined_Atom_Stereo_Count	0
213043	Structure_Complexity	515
13487	Undefined_Atom_Stereo_Count	0
7520	Undefined_Bond_Stereo_Count	0
505	Hydrogen_Bond_Acceptor_Count	11
69299	Undefined_Bond_Stereo_Count	0
33653	Isotope_Atom_Count	0
6891	Molecular_Weight	201.25
1083	Molecular_Weight	379.39
54125476	Rotatable_Bond_Count	4
5330175	Non-hydrogen_Atom_Count	31
900	Undefined_Bond_Stereo_Count	0
3995	Exact_Mass	310.1059754
11094587	Covalent_Unit_Count	1
9693	TPSA	10.2
4095801	Defined_Bond_Stereo_Count	0
70280758	Exact_Mass	443.19911098
5281104	Total_Formal_Charge	0
9351	Exact_Mass	196.0515740
156619446	Mono_Isotopic_Weight	1703.6894156
11249342	Molecular_Weight	337.4
16154490	Exact_Mass	1663.4923528
11033	TPSA	124
61420	Defined_Bond_Stereo_Count	0
970341	Non-hydrogen_Atom_Count	23
151069	Rotatable_Bond_Count	7
16682953	Isotope_Atom_Count	0
604152	Mono_Isotopic_Weight	201.115364102
9927058	TPSA	92.2
129796414	Mono_Isotopic_Weight	177.02483502
13260750	XLogP3-AA	0.6
22563	Undefined_Bond_Stereo_Count	0
67300	Hydrogen_Bond_Donor_Count	0
1068	Defined_Atom_Stereo_Count	0
59896759	Undefined_Bond_Stereo_Count	0
25058183	Defined_Atom_Stereo_Count	0
166	Total_Formal_Charge	0
4369502	Defined_Bond_Stereo_Count	0
42608159	XLogP3-AA	4.5
7000	Undefined_Bond_Stereo_Count	0
58014	Undefined_Atom_Stereo_Count	0
14416612	Non-hydrogen_Atom_Count	8
13584550	Rotatable_Bond_Count	0
54393203	Total_Formal_Charge	0
841083	Mono_Isotopic_Weight	250.0509053
135920970	Defined_Bond_Stereo_Count	0
63198	Isotope_Atom_Count	0
14296	Hydrogen_Bond_Donor_Count	0
14437479	Undefined_Atom_Stereo_Count	0
71464039	Mono_Isotopic_Weight	98.048012819
63853	Molecular_Weight	363.4
65970	Total_Formal_Charge	0
2449	Total_Formal_Charge	0
21864560	Structure_Complexity	1930
99435	TPSA	81
17992	Undefined_Atom_Stereo_Count	0
119185	Total_Formal_Charge	0
102552746	Undefined_Bond_Stereo_Count	0
21715587	Exact_Mass	110.048012819
445969	Undefined_Bond_Stereo_Count	0
3033031	Defined_Atom_Stereo_Count	2
9548714	Mono_Isotopic_Weight	414.422551722
11628328	Exact_Mass	566.23048886
12144388	Non-hydrogen_Atom_Count	8
5462350	Hydrogen_Bond_Acceptor_Count	5
741	Total_Formal_Charge	0
140734	XLogP3-AA	1.2
25067411	Isotope_Atom_Count	1
52944411	Exact_Mass	387.11946125
23668193	Mono_Isotopic_Weight	68.98267252
5425	Undefined_Bond_Stereo_Count	0
123209	Molecular_Weight	140.14
565005	Isotope_Atom_Count	0
162246	Mono_Isotopic_Weight	504.32983310
59169	Hydrogen_Bond_Acceptor_Count	2
4468	Covalent_Unit_Count	1
306131	Covalent_Unit_Count	1
36303	XLogP3-AA	3.2
58453	Isotope_Atom_Count	0
52943962	Defined_Atom_Stereo_Count	0
46244259	Total_Formal_Charge	0
12193653	Rotatable_Bond_Count	1
12813	TPSA	26.3
9860424	Hydrogen_Bond_Donor_Count	2
83826166	Rotatable_Bond_Count	3
12870	Covalent_Unit_Count	1
146159982	Undefined_Bond_Stereo_Count	0
18953179	Undefined_Bond_Stereo_Count	0
123744867	Rotatable_Bond_Count	3
88855	Hydrogen_Bond_Donor_Count	0
71737801	Isotope_Atom_Count	0
5281071	Hydrogen_Bond_Acceptor_Count	4
54585856	Undefined_Atom_Stereo_Count	0
9865515	XLogP3-AA	2.8
19385	Defined_Atom_Stereo_Count	0
23679632	Isotope_Atom_Count	0
86252	Tautomer_Count	2
45267632	Covalent_Unit_Count	1
11405	Defined_Bond_Stereo_Count	0
14569053	Total_Formal_Charge	0
71652	Covalent_Unit_Count	1
15136232	Defined_Bond_Stereo_Count	0
13229	Structure_Complexity	116
3760	Mono_Isotopic_Weight	413.986024
54187438	Mono_Isotopic_Weight	99.104799419
12936856	Non-hydrogen_Atom_Count	7
86218	Undefined_Atom_Stereo_Count	1
457801	Exact_Mass	414.386166214
45116684	Defined_Atom_Stereo_Count	0
228005	Undefined_Atom_Stereo_Count	0
123920	Covalent_Unit_Count	1
155774	Tautomer_Count	10
16732167	Rotatable_Bond_Count	2
6971	Non-hydrogen_Atom_Count	13
29971	Defined_Atom_Stereo_Count	0
68790	XLogP3	3
22416599	Rotatable_Bond_Count	0
123257569	Mono_Isotopic_Weight	110.109550447
65536	Total_Formal_Charge	0
6433427	Non-hydrogen_Atom_Count	19
124224929	Undefined_Atom_Stereo_Count	0
13661819	Mono_Isotopic_Weight	98.073164938
10239769	Molecular_Weight	555.6
12367600	Isotope_Atom_Count	0
76583	Hydrogen_Bond_Donor_Count	0
59742	Hydrogen_Bond_Acceptor_Count	7
126969105	Undefined_Atom_Stereo_Count	0
445575	Hydrogen_Bond_Acceptor_Count	3
542338	Non-hydrogen_Atom_Count	7
90977886	Molecular_Weight	110.20
6918939	Exact_Mass	112.087472332
16126651	Defined_Bond_Stereo_Count	0
534362	Defined_Atom_Stereo_Count	0
139105	Tautomer_Count	1
91537	Rotatable_Bond_Count	6
54169757	Rotatable_Bond_Count	3
72492	Hydrogen_Bond_Acceptor_Count	17
131320	Covalent_Unit_Count	1
25201976	Structure_Complexity	217
78255	XLogP3-AA	6.9
7199	Exact_Mass	140.120115130
10084648	Total_Formal_Charge	0
10930422	Undefined_Atom_Stereo_Count	0
2130	Total_Formal_Charge	0
22506613	Total_Formal_Charge	0
9824345	TPSA	108
2321753	Undefined_Atom_Stereo_Count	0
6432217	Total_Formal_Charge	0
145359725	Defined_Bond_Stereo_Count	0
5282199	Structure_Complexity	482
135398645	Isotope_Atom_Count	0
22580	Hydrogen_Bond_Donor_Count	3
62333	Undefined_Atom_Stereo_Count	2
25960	Tautomer_Count	1
546996	Structure_Complexity	64.6
91557	Undefined_Atom_Stereo_Count	0
52945794	Defined_Bond_Stereo_Count	0
146395	Mono_Isotopic_Weight	504.1946483
21255491	Molecular_Weight	108.18
6365	Mono_Isotopic_Weight	97.9690055
3894	Hydrogen_Bond_Acceptor_Count	7
11137	Molecular_Weight	139.11
64824	Structure_Complexity	717
2981	XLogP3	2.7
44455012	Rotatable_Bond_Count	6
25249	Rotatable_Bond_Count	0
443943	Non-hydrogen_Atom_Count	31
101755686	Mono_Isotopic_Weight	977.52483213
61105	Non-hydrogen_Atom_Count	7
5111	Undefined_Bond_Stereo_Count	0
441035	Rotatable_Bond_Count	1
12942137	Molecular_Weight	301.5
11664966	Defined_Bond_Stereo_Count	2
6303	Isotope_Atom_Count	0
80971	Exact_Mass	173.047678466
74990	Covalent_Unit_Count	2
14010989	Rotatable_Bond_Count	10
51432351	Covalent_Unit_Count	1
46304	Defined_Atom_Stereo_Count	0
9866186	Defined_Bond_Stereo_Count	1
142834	Defined_Atom_Stereo_Count	0
84696	Mono_Isotopic_Weight	509.37250772
73889	Structure_Complexity	397
9984488	Rotatable_Bond_Count	4
37865	Undefined_Bond_Stereo_Count	0
136305612	Structure_Complexity	94
21889836	Structure_Complexity	1240
47318	Rotatable_Bond_Count	1
1512518	Tautomer_Count	1
68078	Isotope_Atom_Count	0
64987	Undefined_Atom_Stereo_Count	1
129236	Molecular_Weight	285.75
53759081	Defined_Atom_Stereo_Count	0
8309	Defined_Bond_Stereo_Count	0
656832	Structure_Complexity	432
6604889	TPSA	69.2
5360970	Hydrogen_Bond_Acceptor_Count	4
5355457	Covalent_Unit_Count	1
20831824	Hydrogen_Bond_Acceptor_Count	10
91820142	Molecular_Weight	665.7
89359	Undefined_Atom_Stereo_Count	2
6282	Mono_Isotopic_Weight	833.60878
60199634	TPSA	109
12934018	Covalent_Unit_Count	1
70689447	Exact_Mass	472.12224
20055804	Tautomer_Count	2
57721	Exact_Mass	485.22609631
8857	XLogP3	0.7
123792	Mono_Isotopic_Weight	680.35336251
54548956	Molecular_Weight	112.13
1766	Defined_Bond_Stereo_Count	0
60196410	Non-hydrogen_Atom_Count	41
153909	TPSA	149
42768	Molecular_Weight	520.6
17499	XLogP3	0.8
127036660	Total_Formal_Charge	0
3080935	Isotope_Atom_Count	0
75810	TPSA	55.1
10347	Molecular_Weight	200.10
68746916	Mono_Isotopic_Weight	518.14577163
72073	Defined_Atom_Stereo_Count	0
2893	Total_Formal_Charge	0
154514950	Defined_Atom_Stereo_Count	0
97991	Mono_Isotopic_Weight	175.099714038
9954082	Tautomer_Count	2
7819	Hydrogen_Bond_Donor_Count	0
13485108	Non-hydrogen_Atom_Count	8
67818	Mono_Isotopic_Weight	363.9768954
159661	Covalent_Unit_Count	2
2058	Exact_Mass	322.13174244
18641	XLogP3-AA	7.2
8069	Defined_Atom_Stereo_Count	0
5330472	Exact_Mass	365.13755610
25261	Rotatable_Bond_Count	7
8689	Hydrogen_Bond_Acceptor_Count	3
2303	Rotatable_Bond_Count	3
136477	Total_Formal_Charge	0
129887798	TPSA	32.3
155893809	Mono_Isotopic_Weight	114.068079557
9824953	Undefined_Atom_Stereo_Count	0
66036956	XLogP3-AA	0
3392711	Undefined_Atom_Stereo_Count	0
11115809	TPSA	235
9995236	Mono_Isotopic_Weight	303.99597
84042	Isotope_Atom_Count	0
206876	Covalent_Unit_Count	1
12543	Undefined_Bond_Stereo_Count	0
49857672	XLogP3-AA	3
42574	Undefined_Bond_Stereo_Count	0
123924	Isotope_Atom_Count	0
67030919	Structure_Complexity	68.6
95809	Molecular_Weight	403.7
40000	Rotatable_Bond_Count	4
8809	Total_Formal_Charge	0
4727	Molecular_Weight	149.21
20503852	Isotope_Atom_Count	0
2467	TPSA	48
12304	Covalent_Unit_Count	1
740525	Molecular_Weight	285.4
819440	XLogP3-AA	0.6
121861	Undefined_Atom_Stereo_Count	0
62209	Undefined_Atom_Stereo_Count	0
4904	Non-hydrogen_Atom_Count	22
4056	Undefined_Atom_Stereo_Count	0
66494	Molecular_Weight	320.3
2722	Covalent_Unit_Count	1
9855081	Total_Formal_Charge	0
66053	Mono_Isotopic_Weight	88.100048391
87370	Hydrogen_Bond_Donor_Count	0
11126188	Rotatable_Bond_Count	1
71311382	TPSA	17.1
21650627	Structure_Complexity	122
123336	Structure_Complexity	51.5
185914	Isotope_Atom_Count	0
71612	Undefined_Atom_Stereo_Count	1
141489386	Mono_Isotopic_Weight	112.027277375
83904773	Total_Formal_Charge	0
91185	Defined_Atom_Stereo_Count	0
41185	Isotope_Atom_Count	0
69016240	Defined_Bond_Stereo_Count	0
4167	Hydrogen_Bond_Donor_Count	0
704	Undefined_Atom_Stereo_Count	7
138059664	Rotatable_Bond_Count	25
10964334	Defined_Atom_Stereo_Count	30
19819	Defined_Atom_Stereo_Count	0
21139920	Defined_Atom_Stereo_Count	10
134693050	TPSA	272
11101	Rotatable_Bond_Count	1
44144434	Undefined_Bond_Stereo_Count	0
667550	Defined_Atom_Stereo_Count	1
2724537	Defined_Bond_Stereo_Count	0
21879940	Molecular_Weight	214.35
25217475	Hydrogen_Bond_Donor_Count	7
10447660	XLogP3-AA	2.8
9094	Mono_Isotopic_Weight	158.07653624
20714804	Defined_Bond_Stereo_Count	0
45248	Tautomer_Count	4
12151528	Molecular_Weight	97.12
6438560	Defined_Atom_Stereo_Count	0
91590871	Hydrogen_Bond_Acceptor_Count	3
93286	Undefined_Bond_Stereo_Count	0
16170	Structure_Complexity	372
59330719	Non-hydrogen_Atom_Count	8
539077	Total_Formal_Charge	0
102102472	Non-hydrogen_Atom_Count	33
9218	Defined_Atom_Stereo_Count	0
30175	Rotatable_Bond_Count	1
80009	Non-hydrogen_Atom_Count	7
9843028	Isotope_Atom_Count	0
140985566	Hydrogen_Bond_Acceptor_Count	3
71160	Undefined_Bond_Stereo_Count	0
123725105	Exact_Mass	115.063328530
137829	Isotope_Atom_Count	0
22137184	XLogP3-AA	1
8573	Non-hydrogen_Atom_Count	18
85624637	Defined_Bond_Stereo_Count	0
586156	Undefined_Atom_Stereo_Count	0
10192685	Total_Formal_Charge	0
19259	Undefined_Atom_Stereo_Count	0
121233058	Defined_Atom_Stereo_Count	0
652876	Molecular_Weight	313.3
130147045	Covalent_Unit_Count	1
10047003	Hydrogen_Bond_Donor_Count	1
237546	Hydrogen_Bond_Donor_Count	1
144946255	Rotatable_Bond_Count	1
82938	Mono_Isotopic_Weight	247.895076
60789	Defined_Bond_Stereo_Count	0
16734	Tautomer_Count	1
21047	Isotope_Atom_Count	0
136375	Non-hydrogen_Atom_Count	7
29921593	Isotope_Atom_Count	0
154169249	Undefined_Atom_Stereo_Count	2
7295	Mono_Isotopic_Weight	107.9978071
117059122	Total_Formal_Charge	0
74190	Hydrogen_Bond_Acceptor_Count	4
18827	Total_Formal_Charge	0
162343997	Defined_Atom_Stereo_Count	0
21201338	Molecular_Weight	203.26
53323740	Molecular_Weight	300.31
66071945	Isotope_Atom_Count	0
12004215	Tautomer_Count	1001
5282253	TPSA	124
15758	Rotatable_Bond_Count	0
10409908	Rotatable_Bond_Count	5
93171	Rotatable_Bond_Count	1
68847	Rotatable_Bond_Count	5
12184591	TPSA	94.8
734	Rotatable_Bond_Count	8
11412346	Exact_Mass	97.089149355
3061	Hydrogen_Bond_Acceptor_Count	13
67805120	Hydrogen_Bond_Acceptor_Count	0
11556910	Rotatable_Bond_Count	5
115000	Covalent_Unit_Count	2
12895043	TPSA	60.7
9853053	TPSA	61.4
16293	Non-hydrogen_Atom_Count	14
23669	Structure_Complexity	260
101365708	TPSA	71.5
416	Exact_Mass	368.12196560
167693	Undefined_Atom_Stereo_Count	0
21954776	Total_Formal_Charge	0
21975	Covalent_Unit_Count	4
2543	Hydrogen_Bond_Acceptor_Count	2
5702238	Undefined_Bond_Stereo_Count	0
284980	Total_Formal_Charge	0
24758983	Rotatable_Bond_Count	7
157690	Isotope_Atom_Count	0
6321225	Non-hydrogen_Atom_Count	52
2729005	Isotope_Atom_Count	0
3795601	TPSA	35.9
11917	Hydrogen_Bond_Acceptor_Count	1
129868321	Defined_Atom_Stereo_Count	0
86307	Hydrogen_Bond_Acceptor_Count	2
50905713	Mono_Isotopic_Weight	416.1152369
7118	Structure_Complexity	127
71679410	Mono_Isotopic_Weight	419.34787550
165708195	Rotatable_Bond_Count	3
129628421	Rotatable_Bond_Count	16
2882	Isotope_Atom_Count	0
5281793	Hydrogen_Bond_Acceptor_Count	10
4554	TPSA	0
9890250	Non-hydrogen_Atom_Count	31
984454	XLogP3-AA	5.4
79302	Covalent_Unit_Count	1
542606	Undefined_Atom_Stereo_Count	3
393405	Defined_Bond_Stereo_Count	0
67482753	Defined_Atom_Stereo_Count	0
67439664	Undefined_Atom_Stereo_Count	0
148651588	Exact_Mass	112.088815002
23385871	TPSA	3.2
66036956	Isotope_Atom_Count	0
6843	Molecular_Weight	294.39
728	Hydrogen_Bond_Donor_Count	0
998021	TPSA	125
54670067	Defined_Atom_Stereo_Count	2
201990	Molecular_Weight	110.16
20770532	Covalent_Unit_Count	1
68245262	Covalent_Unit_Count	1
44320150	Covalent_Unit_Count	2
146474256	Undefined_Atom_Stereo_Count	2
123166	Hydrogen_Bond_Acceptor_Count	0
118210244	Hydrogen_Bond_Donor_Count	0
57389999	Total_Formal_Charge	0
309734	Hydrogen_Bond_Donor_Count	1
57483528	TPSA	110
5282550	Non-hydrogen_Atom_Count	27
84063996	XLogP3-AA	0.2
8138	Isotope_Atom_Count	0
59896759	Undefined_Atom_Stereo_Count	0
11990	Rotatable_Bond_Count	0
146681133	Defined_Atom_Stereo_Count	0
118451841	Non-hydrogen_Atom_Count	20
23210737	Hydrogen_Bond_Acceptor_Count	3
69903	XLogP3-AA	1.5
234735	Structure_Complexity	94
124510	TPSA	55.5
58528	Total_Formal_Charge	0
9297	Defined_Atom_Stereo_Count	0
12491609	Exact_Mass	112.088815002
189	Hydrogen_Bond_Acceptor_Count	5
12074440	Total_Formal_Charge	0
5311424	Rotatable_Bond_Count	5
57394	Total_Formal_Charge	0
162955685	Mono_Isotopic_Weight	342.11621151
53388942	XLogP3-AA	4.4
12869962	Total_Formal_Charge	0
45116667	Isotope_Atom_Count	0
9909202	Molecular_Weight	404.7
89976630	Mono_Isotopic_Weight	107.037113783
163957061	Defined_Atom_Stereo_Count	0
13378967	Total_Formal_Charge	0
22725651	Rotatable_Bond_Count	0
17880	Defined_Bond_Stereo_Count	0
90906739	Covalent_Unit_Count	1
273032	Undefined_Bond_Stereo_Count	0
516356	Total_Formal_Charge	0
2728	Defined_Bond_Stereo_Count	0
176077	Non-hydrogen_Atom_Count	11
12695793	TPSA	3
87468828	Total_Formal_Charge	0
12749319	Undefined_Atom_Stereo_Count	1
5102582	Total_Formal_Charge	1
509147	Isotope_Atom_Count	0
65374	Hydrogen_Bond_Donor_Count	3
23497	Mono_Isotopic_Weight	211.08445790
118010510	Defined_Atom_Stereo_Count	0
23279315	Exact_Mass	115.038176411
69561	Hydrogen_Bond_Donor_Count	3
3206	Hydrogen_Bond_Donor_Count	2
14459015	Non-hydrogen_Atom_Count	20
39874	Total_Formal_Charge	0
24865999	Undefined_Atom_Stereo_Count	0
4173327	Undefined_Bond_Stereo_Count	0
156618027	Hydrogen_Bond_Donor_Count	8
44144434	Defined_Atom_Stereo_Count	0
5282402	Isotope_Atom_Count	0
125702	Undefined_Bond_Stereo_Count	0
121323963	Total_Formal_Charge	0
136832	Non-hydrogen_Atom_Count	8
54226	Defined_Atom_Stereo_Count	0
24198694	Covalent_Unit_Count	2
13157	Defined_Atom_Stereo_Count	0
65389	Undefined_Atom_Stereo_Count	0
6429274	Defined_Bond_Stereo_Count	1
11662332	XLogP3-AA	2.6
57370827	Tautomer_Count	1
135942119	Undefined_Bond_Stereo_Count	0
2647	Defined_Atom_Stereo_Count	0
6331630	XLogP3-AA	1.1
57725	Tautomer_Count	1
41287	Undefined_Atom_Stereo_Count	0
54362	Hydrogen_Bond_Acceptor_Count	12
398744	Covalent_Unit_Count	1
25110841	Isotope_Atom_Count	0
15877745	Total_Formal_Charge	0
24812	Molecular_Weight	221.17
55285315	Defined_Bond_Stereo_Count	0
57396887	Non-hydrogen_Atom_Count	24
701498	Undefined_Bond_Stereo_Count	0
5284371	Hydrogen_Bond_Acceptor_Count	4
59281	Defined_Bond_Stereo_Count	0
64143	Mono_Isotopic_Weight	567.31307810
713762	XLogP3-AA	5.2
10081060	Undefined_Bond_Stereo_Count	0
141352213	Hydrogen_Bond_Donor_Count	0
26473	Isotope_Atom_Count	0
7212	Structure_Complexity	105
74098	Non-hydrogen_Atom_Count	15
12453880	Undefined_Bond_Stereo_Count	0
70555429	Hydrogen_Bond_Donor_Count	1
12578246	Total_Formal_Charge	0
66323	Undefined_Bond_Stereo_Count	0
453618	Mono_Isotopic_Weight	776.23348565
4538	Hydrogen_Bond_Donor_Count	3
19993419	Undefined_Atom_Stereo_Count	1
15920061	Defined_Bond_Stereo_Count	0
23675737	Rotatable_Bond_Count	4
658645	Undefined_Atom_Stereo_Count	2
4164	Undefined_Bond_Stereo_Count	0
83517	Isotope_Atom_Count	0
441140	Rotatable_Bond_Count	3
9912743	Total_Formal_Charge	0
140203	Molecular_Weight	274.44
44352968	Undefined_Bond_Stereo_Count	0
336423	Defined_Atom_Stereo_Count	0
5366149	Undefined_Bond_Stereo_Count	0
18393	Covalent_Unit_Count	1
6564	Covalent_Unit_Count	1
16114800	Molecular_Weight	1001.1
5310983	Mono_Isotopic_Weight	552.98346781
5288565	Mono_Isotopic_Weight	906.11834383
2771919	Defined_Atom_Stereo_Count	0
64782	XLogP3	1.7
69342090	Total_Formal_Charge	0
107706	Rotatable_Bond_Count	9
20929	Tautomer_Count	1
22465468	Hydrogen_Bond_Donor_Count	1
13783517	Total_Formal_Charge	0
102446	TPSA	0
1118	Defined_Atom_Stereo_Count	0
78748	Hydrogen_Bond_Acceptor_Count	2
140248	Hydrogen_Bond_Acceptor_Count	5
53893636	Rotatable_Bond_Count	2
10630437	Total_Formal_Charge	0
24883467	Tautomer_Count	1
124427926	Molecular_Weight	342.30
9927	Isotope_Atom_Count	0
545317	Mono_Isotopic_Weight	226.12050905
6680	Defined_Atom_Stereo_Count	0
4529	Exact_Mass	750.45542754
47909	Molecular_Weight	350.87
11954310	TPSA	43.4
48918	Undefined_Bond_Stereo_Count	0
1091	Structure_Complexity	26.3
54303301	Exact_Mass	96.093900383
74193	Non-hydrogen_Atom_Count	16
121945	Structure_Complexity	561
5824382	Isotope_Atom_Count	0
3154	XLogP3-AA	0.4
44401138	Mono_Isotopic_Weight	421.16377084
11648276	Structure_Complexity	636
12509715	Isotope_Atom_Count	0
54292763	Mono_Isotopic_Weight	102.068079557
156907991	Covalent_Unit_Count	2
11593706	Hydrogen_Bond_Acceptor_Count	5
71681318	Defined_Atom_Stereo_Count	0
69861	Mono_Isotopic_Weight	149.120449483
26081	Total_Formal_Charge	0
13049377	Mono_Isotopic_Weight	114.068079557
225568	TPSA	43.1
1497	Total_Formal_Charge	0
505711	Defined_Bond_Stereo_Count	0
12993138	Rotatable_Bond_Count	2
21547072	XLogP3-AA	0.9
16183	Hydrogen_Bond_Donor_Count	1
20836217	XLogP3-AA	4.7
20056743	Defined_Atom_Stereo_Count	0
101239377	Covalent_Unit_Count	1
7362	Hydrogen_Bond_Acceptor_Count	2
22222161	Isotope_Atom_Count	0
8594	Defined_Bond_Stereo_Count	0
95997	Tautomer_Count	2
19425	Undefined_Bond_Stereo_Count	0
5353831	Molecular_Weight	331.5
21886	Hydrogen_Bond_Acceptor_Count	2
442993	Exact_Mass	305.16270821
93558	Non-hydrogen_Atom_Count	17
123628273	XLogP3-AA	1.1
102402827	Covalent_Unit_Count	1
109022	Hydrogen_Bond_Donor_Count	3
29510	Non-hydrogen_Atom_Count	11
5149	Total_Formal_Charge	0
6871	Defined_Bond_Stereo_Count	0
9020	Covalent_Unit_Count	3
5324168	Hydrogen_Bond_Acceptor_Count	2
201618	Undefined_Atom_Stereo_Count	0
14133354	TPSA	21.8
44629600	Structure_Complexity	973
123195542	Structure_Complexity	74.2
12263801	Mono_Isotopic_Weight	266.178298710
13545127	TPSA	72.3
45857	Exact_Mass	289.1000197
13587089	Hydrogen_Bond_Donor_Count	1
57448808	Structure_Complexity	139
5459213	Non-hydrogen_Atom_Count	54
6875	Mono_Isotopic_Weight	248.152477885
10997868	Defined_Atom_Stereo_Count	0
22181555	Defined_Atom_Stereo_Count	0
632835	XLogP3-AA	2.7
521874	Undefined_Bond_Stereo_Count	0
6344	Mono_Isotopic_Weight	83.9533555
80108693	Undefined_Atom_Stereo_Count	0
3086157	Defined_Atom_Stereo_Count	0
56640146	TPSA	113
57369411	Hydrogen_Bond_Acceptor_Count	16
46780152	Structure_Complexity	688
8629	Undefined_Atom_Stereo_Count	0
74864	Hydrogen_Bond_Donor_Count	1
95269	TPSA	38.7
217634	Hydrogen_Bond_Acceptor_Count	2
339079	Undefined_Atom_Stereo_Count	0
25001850	Isotope_Atom_Count	0
10772946	Defined_Bond_Stereo_Count	0
441348	Exact_Mass	306.0901833
12844	Undefined_Atom_Stereo_Count	1
6733	Molecular_Weight	230.26
2734996	Mono_Isotopic_Weight	360.833646
102	Defined_Bond_Stereo_Count	0
28951068	Mono_Isotopic_Weight	111.032028402
8678	Defined_Bond_Stereo_Count	0
9845837	Covalent_Unit_Count	1
71380	Rotatable_Bond_Count	0
23627460	Isotope_Atom_Count	0
5057599	Exact_Mass	629.06750493
11647899	Hydrogen_Bond_Donor_Count	2
26690	Defined_Bond_Stereo_Count	0
53472683	Defined_Atom_Stereo_Count	1
20307232	Defined_Bond_Stereo_Count	0
12998	Structure_Complexity	89.5
136253316	Defined_Atom_Stereo_Count	1
73216	Non-hydrogen_Atom_Count	11
57396593	Undefined_Atom_Stereo_Count	0
216295	Exact_Mass	484.31216641
2943	Hydrogen_Bond_Acceptor_Count	4
66550979	Undefined_Atom_Stereo_Count	0
3339	TPSA	52.6
688297	Mono_Isotopic_Weight	215.95344
9481	Defined_Bond_Stereo_Count	0
96517	Structure_Complexity	436
7910	XLogP3-AA	1.7
66764350	Rotatable_Bond_Count	0
87870867	Mono_Isotopic_Weight	113.047678466
100472	Structure_Complexity	343
46919879	Isotope_Atom_Count	0
124524515	Molecular_Weight	342.30
10197643	Exact_Mass	103.063328530
21158559	Hydrogen_Bond_Donor_Count	2
135513267	Total_Formal_Charge	0
10351660	Exact_Mass	104.047344113
24917002	Undefined_Atom_Stereo_Count	0
14440442	Mono_Isotopic_Weight	100.03851076
16135	Total_Formal_Charge	0
69109362	Mono_Isotopic_Weight	101.047678466
60196371	Covalent_Unit_Count	1
1731	Hydrogen_Bond_Donor_Count	2
91010248	Total_Formal_Charge	0
414	Total_Formal_Charge	0
26314	Structure_Complexity	1410
7701	Undefined_Atom_Stereo_Count	0
84598	Defined_Bond_Stereo_Count	0
591683	Defined_Atom_Stereo_Count	0
162247	Mono_Isotopic_Weight	116.131348519
23675320	TPSA	141
197883	TPSA	76.6
71894	Defined_Atom_Stereo_Count	0
14794988	Undefined_Atom_Stereo_Count	0
67578175	Structure_Complexity	782
123415454	Covalent_Unit_Count	1
3082781	Hydrogen_Bond_Acceptor_Count	2
6436093	Structure_Complexity	470
55287924	Undefined_Atom_Stereo_Count	1
151148	Rotatable_Bond_Count	5
101684738	Total_Formal_Charge	0
101289807	Hydrogen_Bond_Donor_Count	0
10407447	Hydrogen_Bond_Acceptor_Count	1
156614059	Undefined_Atom_Stereo_Count	0
53318411	Hydrogen_Bond_Acceptor_Count	4
9901946	TPSA	60.9
135911835	Isotope_Atom_Count	0
8419	XLogP3	1.5
152643	Hydrogen_Bond_Donor_Count	1
6433091	Hydrogen_Bond_Donor_Count	1
13006	Hydrogen_Bond_Donor_Count	0
140719461	TPSA	21.6
53346491	Rotatable_Bond_Count	5
97638	Exact_Mass	152.083729621
14462	Covalent_Unit_Count	1
9547928	TPSA	226
8875	Hydrogen_Bond_Donor_Count	1
18779014	Covalent_Unit_Count	1
17690	TPSA	0
3571519	Structure_Complexity	166
54610154	Structure_Complexity	1090
36082	Defined_Atom_Stereo_Count	0
5281394	TPSA	200
704316	Exact_Mass	331.0182254
11953897	Exact_Mass	1322.0938467
60921	Defined_Atom_Stereo_Count	0
11716665	Undefined_Atom_Stereo_Count	0
140066067	Undefined_Bond_Stereo_Count	0
72573106	Hydrogen_Bond_Donor_Count	3
43636	Rotatable_Bond_Count	0
2786	Tautomer_Count	2
68203	Structure_Complexity	696
97780	XLogP3	3
57674785	Exact_Mass	111.068413911
123769339	Molecular_Weight	100.16
410914	XLogP3-AA	3.5
59296073	Undefined_Atom_Stereo_Count	0
12251	Mono_Isotopic_Weight	90.031694049
107649	Undefined_Atom_Stereo_Count	0
161656	Isotope_Atom_Count	0
631779	Mono_Isotopic_Weight	352.101702159
14529	Undefined_Atom_Stereo_Count	0
4634922	Covalent_Unit_Count	1
66811197	Hydrogen_Bond_Acceptor_Count	10
6206	Molecular_Weight	197.15
28284151	Covalent_Unit_Count	1
143403310	Total_Formal_Charge	0
14443	Covalent_Unit_Count	1
62485	Structure_Complexity	417
54693768	Structure_Complexity	618
139133	Exact_Mass	114.068079557
70346812	Hydrogen_Bond_Donor_Count	1
19873782	Hydrogen_Bond_Acceptor_Count	4
2849	Hydrogen_Bond_Donor_Count	3
446715	Defined_Bond_Stereo_Count	0
6869	Total_Formal_Charge	0
12409173	Hydrogen_Bond_Acceptor_Count	1
448837	Defined_Atom_Stereo_Count	8
589313	TPSA	41.6
12635750	Isotope_Atom_Count	0
124013	Molecular_Weight	319.18
24871267	Rotatable_Bond_Count	8
24883429	Structure_Complexity	819
125702	XLogP3-AA	2.3
57404062	Hydrogen_Bond_Acceptor_Count	10
1781	Hydrogen_Bond_Acceptor_Count	2
443101	Non-hydrogen_Atom_Count	34
1479	Undefined_Bond_Stereo_Count	1
12717520	Hydrogen_Bond_Donor_Count	1
5216	Total_Formal_Charge	0
9898619	Undefined_Bond_Stereo_Count	0
117846599	Total_Formal_Charge	0
7584	TPSA	20.2
351795	Molecular_Weight	156.18
72373	Exact_Mass	234.02067859
2787	Hydrogen_Bond_Donor_Count	2
13595226	Structure_Complexity	109
164512	Isotope_Atom_Count	0
56841794	TPSA	3160
5473310	Defined_Atom_Stereo_Count	0
40469150	Hydrogen_Bond_Acceptor_Count	11
44207128	XLogP3-AA	7.4
32767	Total_Formal_Charge	0
86015488	Non-hydrogen_Atom_Count	8
5484132	Defined_Bond_Stereo_Count	1
4403	Total_Formal_Charge	0
6326996	Covalent_Unit_Count	1
72828705	Molecular_Weight	224.30
6493	Mono_Isotopic_Weight	102.104465066
765378	Hydrogen_Bond_Acceptor_Count	5
10232719	Covalent_Unit_Count	1
566032	Non-hydrogen_Atom_Count	12
78960	Total_Formal_Charge	0
53672079	Covalent_Unit_Count	1
154489025	XLogP3-AA	0.2
283637	Molecular_Weight	110.15
20831824	Total_Formal_Charge	0
12656387	Undefined_Bond_Stereo_Count	0
26574	Molecular_Weight	58.81
40466884	Total_Formal_Charge	1
15533	Defined_Atom_Stereo_Count	0
5284656	Hydrogen_Bond_Acceptor_Count	2
11005	Defined_Bond_Stereo_Count	0
49853406	Undefined_Bond_Stereo_Count	0
37918	Isotope_Atom_Count	0
7143	Hydrogen_Bond_Donor_Count	1
40945	Covalent_Unit_Count	1
160078	Defined_Atom_Stereo_Count	0
18442762	Defined_Atom_Stereo_Count	0
68629	Total_Formal_Charge	0
67292089	Non-hydrogen_Atom_Count	35
20699949	Hydrogen_Bond_Acceptor_Count	2
66615606	Molecular_Weight	514.0
44259	XLogP3-AA	3.2
22033763	Non-hydrogen_Atom_Count	7
25023847	Covalent_Unit_Count	1
4365	Mono_Isotopic_Weight	324.11437830
89342	Exact_Mass	86.084398327
9859	Hydrogen_Bond_Acceptor_Count	2
64184	Non-hydrogen_Atom_Count	12
5282209	Mono_Isotopic_Weight	590.26281617
11789162	Non-hydrogen_Atom_Count	8
12423177	Mono_Isotopic_Weight	113.084063974
20202559	Total_Formal_Charge	0
12160932	Total_Formal_Charge	0
4196	Undefined_Bond_Stereo_Count	0
12462	Undefined_Atom_Stereo_Count	0
21115778	Isotope_Atom_Count	0
23279533	Defined_Bond_Stereo_Count	0
9543090	Isotope_Atom_Count	0
16020938	Hydrogen_Bond_Donor_Count	1
57280823	Covalent_Unit_Count	1
445892	Total_Formal_Charge	0
70945	Mono_Isotopic_Weight	126.068079557
56949747	Covalent_Unit_Count	1
93884	Undefined_Atom_Stereo_Count	0
13327302	Covalent_Unit_Count	1
13378967	Hydrogen_Bond_Donor_Count	0
71457269	Hydrogen_Bond_Acceptor_Count	6
222786	XLogP3	1.5
16211113	TPSA	71.7
5289419	Defined_Atom_Stereo_Count	0
9903291	Total_Formal_Charge	0
520902	Undefined_Atom_Stereo_Count	0
5460822	Covalent_Unit_Count	1
43226	TPSA	46
43704	Defined_Atom_Stereo_Count	0
66435	Defined_Bond_Stereo_Count	0
87468828	Hydrogen_Bond_Donor_Count	0
54686904	Rotatable_Bond_Count	7
65533	TPSA	157
5282108	TPSA	17.1
59704271	Mono_Isotopic_Weight	1201.84136802
237041	Undefined_Atom_Stereo_Count	0
44264589	Rotatable_Bond_Count	0
55284153	Hydrogen_Bond_Acceptor_Count	3
19186	Hydrogen_Bond_Donor_Count	1
443310	Undefined_Atom_Stereo_Count	7
71417	Mono_Isotopic_Weight	313.1557047
44531649	Isotope_Atom_Count	0
24901144	Structure_Complexity	644
11768503	Total_Formal_Charge	0
88483174	Undefined_Atom_Stereo_Count	1
129821327	Isotope_Atom_Count	0
143852	Covalent_Unit_Count	1
21997068	Mono_Isotopic_Weight	102.115698455
9271	Exact_Mass	411.771136
2400	Tautomer_Count	3
20276	Structure_Complexity	71.4
5319880	Hydrogen_Bond_Donor_Count	3
14319	Non-hydrogen_Atom_Count	12
4075158	Molecular_Weight	227.36
449619	Structure_Complexity	61.8
555192	Hydrogen_Bond_Donor_Count	2
126970904	Non-hydrogen_Atom_Count	8
24864463	Rotatable_Bond_Count	3
625469	Mono_Isotopic_Weight	421.036590
16775060	Structure_Complexity	41.4
135942119	Undefined_Atom_Stereo_Count	0
124202907	Undefined_Bond_Stereo_Count	0
105104	Covalent_Unit_Count	1
74168	Structure_Complexity	67.4
6604724	Defined_Bond_Stereo_Count	0
25058199	Exact_Mass	473.12567125
8368	Exact_Mass	159.9846556
130917941	Rotatable_Bond_Count	3
656495	Hydrogen_Bond_Donor_Count	7
18717626	Structure_Complexity	50
306131	TPSA	63.3
58182899	Isotope_Atom_Count	0
21868524	Isotope_Atom_Count	0
11735949	Rotatable_Bond_Count	4
144793800	Mono_Isotopic_Weight	102.079312947
71321	Undefined_Bond_Stereo_Count	0
13736253	Defined_Atom_Stereo_Count	0
10658	Non-hydrogen_Atom_Count	14
7059596	TPSA	23.5
12441662	TPSA	20.2
54180192	Exact_Mass	85.089149355
15983287	Defined_Bond_Stereo_Count	0
445904	Undefined_Bond_Stereo_Count	0
39801	Total_Formal_Charge	0
8904	XLogP3-AA	3.7
5494425	Defined_Atom_Stereo_Count	0
161259	Structure_Complexity	1000
117479	Defined_Bond_Stereo_Count	0
76223995	Hydrogen_Bond_Acceptor_Count	1
389585	Hydrogen_Bond_Acceptor_Count	6
5372405	XLogP3-AA	2.8
7530950	Molecular_Weight	196.29
22643188	Covalent_Unit_Count	1
23317073	Non-hydrogen_Atom_Count	7
118855423	Structure_Complexity	726
97105	Covalent_Unit_Count	1
316542	Rotatable_Bond_Count	3
10094429	Rotatable_Bond_Count	6
44230575	Non-hydrogen_Atom_Count	34
53898266	Hydrogen_Bond_Acceptor_Count	3
12367598	Defined_Atom_Stereo_Count	0
5184540	Structure_Complexity	114
136229126	Exact_Mass	206.17427596
90098	Molecular_Weight	237.33
62155	Undefined_Bond_Stereo_Count	2
71171	Exact_Mass	679.26758446
220834	Structure_Complexity	199
57481197	Hydrogen_Bond_Donor_Count	1
473148	Structure_Complexity	226
163143	Hydrogen_Bond_Acceptor_Count	10
82789	Undefined_Bond_Stereo_Count	0
22082840	Undefined_Bond_Stereo_Count	0
14050	Tautomer_Count	1
124149361	Covalent_Unit_Count	1
58055	Total_Formal_Charge	0
16213711	Defined_Atom_Stereo_Count	0
8026	Hydrogen_Bond_Acceptor_Count	3
10101	Tautomer_Count	6
22631092	Undefined_Bond_Stereo_Count	0
6433090	Mono_Isotopic_Weight	319.168462302
140606019	TPSA	34
141053308	Molecular_Weight	100.12
121494085	Structure_Complexity	2420
8190	TPSA	47.9
71653	Defined_Atom_Stereo_Count	0
10630437	Hydrogen_Bond_Donor_Count	0
92222	Undefined_Atom_Stereo_Count	0
7916	Isotope_Atom_Count	0
36798	Structure_Complexity	225
6204	Covalent_Unit_Count	1
1549026	Undefined_Bond_Stereo_Count	0
16760569	Non-hydrogen_Atom_Count	35
48918	Undefined_Atom_Stereo_Count	0
5790	Undefined_Bond_Stereo_Count	0
41772	Undefined_Bond_Stereo_Count	0
2735122	Hydrogen_Bond_Donor_Count	0
71377	Molecular_Weight	473.4
14236864	Hydrogen_Bond_Donor_Count	2
83872171	Non-hydrogen_Atom_Count	7
627458	Non-hydrogen_Atom_Count	18
92450317	Defined_Bond_Stereo_Count	2
20746480	Molecular_Weight	108.10
637796	Undefined_Atom_Stereo_Count	0
517327	Defined_Bond_Stereo_Count	0
36821	Hydrogen_Bond_Donor_Count	0
11818	Hydrogen_Bond_Donor_Count	0
135761165	Molecular_Weight	439.4
3744783	Undefined_Bond_Stereo_Count	0
9826358	Defined_Atom_Stereo_Count	7
283654	Isotope_Atom_Count	0
5429	Total_Formal_Charge	0
96665	Covalent_Unit_Count	1
115071571	Undefined_Atom_Stereo_Count	0
441979	TPSA	53.4
453	Undefined_Atom_Stereo_Count	4
15988075	Mono_Isotopic_Weight	362.08782677
58265621	Non-hydrogen_Atom_Count	7
23674215	Non-hydrogen_Atom_Count	18
24699	Molecular_Weight	358.6
375860	Covalent_Unit_Count	1
16129710	Structure_Complexity	3980
6538989	Total_Formal_Charge	0
984396	TPSA	102
6537213	Structure_Complexity	548
7025	Hydrogen_Bond_Donor_Count	1
11768523	Undefined_Bond_Stereo_Count	0
11040399	Defined_Bond_Stereo_Count	1
21242611	Exact_Mass	309.17357019
14970	Hydrogen_Bond_Donor_Count	20
5361309	Exact_Mass	434.16647101
25263111	Structure_Complexity	687
216269	Total_Formal_Charge	0
20724	Undefined_Atom_Stereo_Count	1
68616	Covalent_Unit_Count	1
153932472	XLogP3-AA	1.2
6604365	XLogP3	2.6
15269993	TPSA	40.4
3865578	TPSA	49.4
94834	Defined_Atom_Stereo_Count	0
3772	Defined_Bond_Stereo_Count	0
53260965	Isotope_Atom_Count	0
21896651	Molecular_Weight	1526.5
118209567	Isotope_Atom_Count	0
23675453	Structure_Complexity	368
5459973	Rotatable_Bond_Count	1
34515	Non-hydrogen_Atom_Count	24
10034991	TPSA	49.7
68017365	Isotope_Atom_Count	0
908	Covalent_Unit_Count	1
13878035	Undefined_Bond_Stereo_Count	0
6440511	Undefined_Atom_Stereo_Count	0
68780878	Non-hydrogen_Atom_Count	30
447029	Rotatable_Bond_Count	2
103565751	XLogP3-AA	0
533909	TPSA	35.2
137118	Total_Formal_Charge	0
65072	Tautomer_Count	3
15004	Defined_Bond_Stereo_Count	0
847429	Molecular_Weight	338.8
12444324	Undefined_Atom_Stereo_Count	0
71300750	TPSA	224
33473	Hydrogen_Bond_Donor_Count	1
14027329	Hydrogen_Bond_Acceptor_Count	2
84072504	Exact_Mass	113.047678466
79192	TPSA	20.2
59110799	Defined_Atom_Stereo_Count	0
19773393	TPSA	25.2
11671	Isotope_Atom_Count	0
135455401	Covalent_Unit_Count	1
22379	Defined_Bond_Stereo_Count	0
76485	Undefined_Bond_Stereo_Count	0
53853926	TPSA	42.2
68986	Defined_Atom_Stereo_Count	0
5790	Undefined_Atom_Stereo_Count	0
2151	Hydrogen_Bond_Donor_Count	1
12732836	Defined_Bond_Stereo_Count	0
919	Non-hydrogen_Atom_Count	16
114835	Non-hydrogen_Atom_Count	8
122797	Defined_Atom_Stereo_Count	4
119438	Total_Formal_Charge	4
290670	Mono_Isotopic_Weight	364.18858861
5284540	Hydrogen_Bond_Acceptor_Count	7
153722581	TPSA	76.2
57751145	Hydrogen_Bond_Donor_Count	1
5284376	Mono_Isotopic_Weight	269.0407907
507	Defined_Bond_Stereo_Count	0
429734	Rotatable_Bond_Count	5
31348	Defined_Atom_Stereo_Count	0
11519069	TPSA	29.5
222548	Hydrogen_Bond_Acceptor_Count	0
33672	Isotope_Atom_Count	0
66603	Defined_Atom_Stereo_Count	0
533877	Non-hydrogen_Atom_Count	7
411580	Covalent_Unit_Count	1
136041721	Hydrogen_Bond_Donor_Count	4
77449069	Undefined_Atom_Stereo_Count	1
20528	Mono_Isotopic_Weight	267.08954328
158524	Rotatable_Bond_Count	14
104149	Tautomer_Count	1
24762165	Undefined_Atom_Stereo_Count	0
66623496	Hydrogen_Bond_Donor_Count	0
61503	Defined_Atom_Stereo_Count	1
121249	Tautomer_Count	6
15741339	Hydrogen_Bond_Acceptor_Count	1
5095	Exact_Mass	260.188863393
12865495	Defined_Bond_Stereo_Count	0
11848	Isotope_Atom_Count	0
139084363	Undefined_Atom_Stereo_Count	0
74079	Covalent_Unit_Count	1
4726	Hydrogen_Bond_Donor_Count	3
9843089	Hydrogen_Bond_Acceptor_Count	8
50009	Molecular_Weight	334.15
131954763	Structure_Complexity	494
4561	Hydrogen_Bond_Acceptor_Count	2
129319344	Defined_Bond_Stereo_Count	0
90173	Total_Formal_Charge	0
80426	Isotope_Atom_Count	0
139171227	Covalent_Unit_Count	1
7662	Mono_Isotopic_Weight	206.130679813
86912	Structure_Complexity	256
558889	Defined_Atom_Stereo_Count	0
6914821	Covalent_Unit_Count	1
13745	Total_Formal_Charge	0
20056625	Isotope_Atom_Count	0
70719	Undefined_Bond_Stereo_Count	0
13000143	XLogP3	2.1
26660	Molecular_Weight	177.24
21709689	Molecular_Weight	304.12
162404783	Structure_Complexity	79.1
11750474	Exact_Mass	419.04081729
1201	Non-hydrogen_Atom_Count	27
64975	Hydrogen_Bond_Acceptor_Count	6
131167766	Molecular_Weight	109.17
9469	Isotope_Atom_Count	0
44455083	XLogP3-AA	2.4
20323899	Defined_Atom_Stereo_Count	0
62280	Rotatable_Bond_Count	15
3243	Hydrogen_Bond_Acceptor_Count	2
139063576	Hydrogen_Bond_Acceptor_Count	4
20626690	Total_Formal_Charge	0
5483847	Defined_Atom_Stereo_Count	1
971023	Hydrogen_Bond_Acceptor_Count	2
13748	Hydrogen_Bond_Donor_Count	1
3025721	Hydrogen_Bond_Donor_Count	1
984396	Isotope_Atom_Count	0
322148	Covalent_Unit_Count	1
82131	Exact_Mass	213.96294
6857447	Covalent_Unit_Count	1
178145	TPSA	37.3
118972006	Total_Formal_Charge	0
57336513	Structure_Complexity	2660
130145407	Molecular_Weight	110.15
10175126	Non-hydrogen_Atom_Count	41
101513786	TPSA	110
57927934	Mono_Isotopic_Weight	467.21686904
637511	Mono_Isotopic_Weight	132.057514874
6713972	Covalent_Unit_Count	1
129815925	Hydrogen_Bond_Acceptor_Count	2
24868320	Isotope_Atom_Count	0
12581088	Isotope_Atom_Count	0
23736	Hydrogen_Bond_Acceptor_Count	2
88287569	Undefined_Atom_Stereo_Count	2
76537	Hydrogen_Bond_Acceptor_Count	2
52949613	Undefined_Atom_Stereo_Count	0
8717	TPSA	26
15904927	TPSA	52
16678941	Hydrogen_Bond_Acceptor_Count	8
10453870	Undefined_Bond_Stereo_Count	0
1415	Mono_Isotopic_Weight	336.23005950
9817917	Covalent_Unit_Count	1
15043600	Total_Formal_Charge	0
630227	Covalent_Unit_Count	1
95571	Covalent_Unit_Count	1
458139	Hydrogen_Bond_Acceptor_Count	1
780	Undefined_Atom_Stereo_Count	0
12285890	Isotope_Atom_Count	1
8743	Mono_Isotopic_Weight	183.01677226
4724	Molecular_Weight	291.4
6113	Isotope_Atom_Count	0
25868	Total_Formal_Charge	0
10996972	Defined_Atom_Stereo_Count	0
77064	Hydrogen_Bond_Acceptor_Count	2
5284537	Defined_Bond_Stereo_Count	0
66171	Rotatable_Bond_Count	1
9434	Tautomer_Count	1
49787001	Molecular_Weight	446.4
68026923	XLogP3-AA	1.2
9792	Non-hydrogen_Atom_Count	28
15757501	Molecular_Weight	109.13
71759	TPSA	48.9
17754007	Structure_Complexity	192
5462814	Non-hydrogen_Atom_Count	8
84506	Exact_Mass	234.06405680
19674	XLogP3-AA	3.9
78960	Hydrogen_Bond_Donor_Count	0
41505	Defined_Bond_Stereo_Count	0
91562173	Hydrogen_Bond_Acceptor_Count	4
4629	Covalent_Unit_Count	1
5367719	Total_Formal_Charge	0
6113	Hydrogen_Bond_Donor_Count	0
45257	Undefined_Atom_Stereo_Count	1
20062226	Total_Formal_Charge	0
28500	Total_Formal_Charge	0
117045394	Total_Formal_Charge	0
136499	Rotatable_Bond_Count	0
222786	Tautomer_Count	45
4599	Undefined_Bond_Stereo_Count	0
138991760	Non-hydrogen_Atom_Count	38
19425	Molecular_Weight	80.09
71171	Total_Formal_Charge	0
36209	Total_Formal_Charge	1
146480	Exact_Mass	148.06703418
54316980	Exact_Mass	99.068413911
9841854	Covalent_Unit_Count	1
59022	Hydrogen_Bond_Acceptor_Count	2
7963	Isotope_Atom_Count	0
118052411	TPSA	190
130025113	Defined_Bond_Stereo_Count	0
58907754	Defined_Atom_Stereo_Count	6
88305	Hydrogen_Bond_Donor_Count	4
6451477	TPSA	9.2
4162	Defined_Bond_Stereo_Count	0
101008927	Hydrogen_Bond_Acceptor_Count	2
68976065	Covalent_Unit_Count	1
3628	Undefined_Bond_Stereo_Count	0
160538	Non-hydrogen_Atom_Count	10
413519	Total_Formal_Charge	1
16414	Mono_Isotopic_Weight	334.0906621
15565709	Hydrogen_Bond_Donor_Count	2
135410875	TPSA	187
19736124	Defined_Atom_Stereo_Count	0
8406	Hydrogen_Bond_Donor_Count	1
22553	Exact_Mass	201.0920418
533920	Mono_Isotopic_Weight	99.068413911
79324217	Exact_Mass	99.104799419
12539007	Structure_Complexity	157
2759227	Exact_Mass	253.05863707
11105655	Covalent_Unit_Count	1
107720	Defined_Atom_Stereo_Count	1
8478	TPSA	18.5
16399351	Undefined_Atom_Stereo_Count	4
69503325	Rotatable_Bond_Count	0
2753	Isotope_Atom_Count	0
20202559	Hydrogen_Bond_Donor_Count	0
10382	Undefined_Atom_Stereo_Count	0
6432709	XLogP3-AA	3.9
13563	TPSA	3.2
363475	Undefined_Bond_Stereo_Count	0
76830	Mono_Isotopic_Weight	256.98298323
67568	Defined_Atom_Stereo_Count	0
53671850	Total_Formal_Charge	0
39147	Rotatable_Bond_Count	6
439352	Total_Formal_Charge	0
6437875	Exact_Mass	215.09060590
14947257	Structure_Complexity	67.4
10002668	Isotope_Atom_Count	0
151148	Tautomer_Count	4
10239769	Rotatable_Bond_Count	14
53850432	Mono_Isotopic_Weight	114.031694049
6537505	Tautomer_Count	1
25142444	Undefined_Bond_Stereo_Count	0
58160574	Rotatable_Bond_Count	6
135582708	Covalent_Unit_Count	1
162908	Covalent_Unit_Count	1
11488729	XLogP3-AA	7.1
2734232	Defined_Bond_Stereo_Count	0
50163	TPSA	121
7943	Isotope_Atom_Count	0
13136	Non-hydrogen_Atom_Count	29
54153355	Structure_Complexity	240
12383043	Undefined_Atom_Stereo_Count	0
11017510	Hydrogen_Bond_Donor_Count	0
19951	Hydrogen_Bond_Donor_Count	0
70692444	Isotope_Atom_Count	0
44838	Hydrogen_Bond_Donor_Count	0
134688669	XLogP3-AA	4.5
11742188	Rotatable_Bond_Count	4
61370	Undefined_Bond_Stereo_Count	1
129806307	Molecular_Weight	113.11
15570483	Molecular_Weight	94.15
5289159	Molecular_Weight	305.4
98813	Non-hydrogen_Atom_Count	35
423438	Covalent_Unit_Count	2
144404363	Structure_Complexity	102
10909485	Undefined_Bond_Stereo_Count	0
11412777	Undefined_Bond_Stereo_Count	0
3452818	Undefined_Bond_Stereo_Count	0
52921886	Undefined_Atom_Stereo_Count	0
38945	Total_Formal_Charge	0
5523	Non-hydrogen_Atom_Count	19
10141893	Defined_Atom_Stereo_Count	0
12573513	Isotope_Atom_Count	0
45790066	Covalent_Unit_Count	4
8373	XLogP3	2.5
44427236	Undefined_Bond_Stereo_Count	0
73110	Mono_Isotopic_Weight	569.0756554
11007849	Molecular_Weight	112.17
18356755	Rotatable_Bond_Count	3
557134	Defined_Atom_Stereo_Count	0
114864	Tautomer_Count	13
77946	Covalent_Unit_Count	1
9754	Isotope_Atom_Count	0
67156338	Undefined_Bond_Stereo_Count	0
21278826	Exact_Mass	98.084398327
882533	Undefined_Bond_Stereo_Count	0
40185	Covalent_Unit_Count	1
34001	Undefined_Atom_Stereo_Count	0
67535	Non-hydrogen_Atom_Count	14
9903930	Hydrogen_Bond_Acceptor_Count	4
13490845	Total_Formal_Charge	0
68236	Non-hydrogen_Atom_Count	12
25271818	Non-hydrogen_Atom_Count	25
139086359	Isotope_Atom_Count	0
10197675	Non-hydrogen_Atom_Count	8
163652705	Hydrogen_Bond_Donor_Count	1
9973	Isotope_Atom_Count	0
70680234	Isotope_Atom_Count	0
44139752	Non-hydrogen_Atom_Count	17
138979	XLogP3-AA	0.9
20179	Defined_Bond_Stereo_Count	0
92211533	Non-hydrogen_Atom_Count	25
705978	Exact_Mass	342.14019912
90892	Defined_Atom_Stereo_Count	0
23643935	Total_Formal_Charge	0
23724913	Tautomer_Count	1
14355861	Isotope_Atom_Count	0
80510	Undefined_Bond_Stereo_Count	0
44319	XLogP3-AA	5.6
439498	Isotope_Atom_Count	0
290807	Exact_Mass	115.099714038
60825	Molecular_Weight	229.26
85824359	Non-hydrogen_Atom_Count	8
54580845	Structure_Complexity	315
349890	Undefined_Atom_Stereo_Count	1
443951	Covalent_Unit_Count	1
362828	Isotope_Atom_Count	0
5507	Total_Formal_Charge	0
5068681	Mono_Isotopic_Weight	105.078978594
3015914	Isotope_Atom_Count	0
52942212	Hydrogen_Bond_Donor_Count	1
15652148	Isotope_Atom_Count	0
5738	Undefined_Bond_Stereo_Count	0
127036660	Molecular_Weight	355.6
45259044	Non-hydrogen_Atom_Count	36
134558090	Isotope_Atom_Count	0
54725318	Tautomer_Count	8
23274061	Total_Formal_Charge	0
114831	Non-hydrogen_Atom_Count	12
398516	Defined_Atom_Stereo_Count	0
59514	Isotope_Atom_Count	0
123827359	TPSA	54.4
24977223	XLogP3-AA	0.8
8154	Structure_Complexity	181
11955	Non-hydrogen_Atom_Count	10
134767951	Hydrogen_Bond_Donor_Count	1
10556	Mono_Isotopic_Weight	183.97490
23741	Exact_Mass	240.245315640
176155	Molecular_Weight	377.4
7192	Rotatable_Bond_Count	2
20522198	Undefined_Bond_Stereo_Count	0
1553	Undefined_Bond_Stereo_Count	0
21946437	Undefined_Bond_Stereo_Count	0
6440900	Exact_Mass	156.04225873
5287779	Molecular_Weight	202.25
698851	Total_Formal_Charge	0
24848360	XLogP3	5.2
76980	Defined_Atom_Stereo_Count	0
314787	Structure_Complexity	270
13939519	Structure_Complexity	90.5
2735228	Non-hydrogen_Atom_Count	8
67233382	Undefined_Bond_Stereo_Count	0
6435	Undefined_Atom_Stereo_Count	0
44560806	TPSA	150
42602095	XLogP3-AA	2.4
41575	TPSA	66.4
167807	Hydrogen_Bond_Acceptor_Count	4
12309519	Mono_Isotopic_Weight	324.183778013
6918639	Rotatable_Bond_Count	9
71587201	Undefined_Bond_Stereo_Count	0
919	Total_Formal_Charge	0
91248258	Non-hydrogen_Atom_Count	7
11538455	Defined_Atom_Stereo_Count	0
122214398	Isotope_Atom_Count	0
42291	Undefined_Bond_Stereo_Count	0
72941442	Undefined_Bond_Stereo_Count	0
130845868	Isotope_Atom_Count	0
46244173	Hydrogen_Bond_Donor_Count	1
118499237	Rotatable_Bond_Count	3
68374	Undefined_Bond_Stereo_Count	0
18075	Exact_Mass	210.079312947
446317	Covalent_Unit_Count	1
20100130	Isotope_Atom_Count	0
57055230	Non-hydrogen_Atom_Count	7
13349549	Rotatable_Bond_Count	0
16129688	Exact_Mass	1619.71036639
21622656	Defined_Atom_Stereo_Count	0
24466	Hydrogen_Bond_Acceptor_Count	4
11605	Mono_Isotopic_Weight	80.062600255
15004	Rotatable_Bond_Count	11
88209	Isotope_Atom_Count	0
13186	Non-hydrogen_Atom_Count	8
9954739	Undefined_Bond_Stereo_Count	0
826477	Mono_Isotopic_Weight	334.1003540
10947	Covalent_Unit_Count	1
135988	Mono_Isotopic_Weight	110.109550447
55416	Undefined_Bond_Stereo_Count	0
13658	Defined_Atom_Stereo_Count	0
11532527	Undefined_Bond_Stereo_Count	0
84693	Hydrogen_Bond_Donor_Count	1
19888379	Defined_Bond_Stereo_Count	0
638071	Isotope_Atom_Count	0
24900942	XLogP3-AA	3.3
9464	Molecular_Weight	203.21
108938	Rotatable_Bond_Count	1
60196380	Molecular_Weight	270.16
12432039	Rotatable_Bond_Count	0
16217535	Defined_Bond_Stereo_Count	0
7566944	Exact_Mass	342.11621151
47471	Hydrogen_Bond_Acceptor_Count	5
87605	Molecular_Weight	116.20
51025660	Isotope_Atom_Count	0
68891	Molecular_Weight	409.7
5003096	TPSA	67.4
60582	Mono_Isotopic_Weight	272.04669266
70989	Exact_Mass	173.084063974
53393621	Isotope_Atom_Count	0
27775	Rotatable_Bond_Count	3
51346588	Structure_Complexity	423
12839329	Defined_Atom_Stereo_Count	0
572565	TPSA	57.4
71474517	Structure_Complexity	1840
4407718	Structure_Complexity	1790
129848458	XLogP3-AA	5
17756	Molecular_Weight	104.15
16953	Hydrogen_Bond_Donor_Count	0
5086466	Isotope_Atom_Count	0
984	Tautomer_Count	2
6051	Undefined_Atom_Stereo_Count	0
71359064	XLogP3-AA	1.1
65442	Defined_Bond_Stereo_Count	0
2723770	Non-hydrogen_Atom_Count	8
13019052	Covalent_Unit_Count	1
85294873	Hydrogen_Bond_Acceptor_Count	2
75332	Defined_Atom_Stereo_Count	0
123316507	Mono_Isotopic_Weight	1201.84136802
12702413	Covalent_Unit_Count	1
92839	Undefined_Bond_Stereo_Count	0
693318	Structure_Complexity	251
163050679	Exact_Mass	284.16237386
10781	Structure_Complexity	274
123613360	Hydrogen_Bond_Donor_Count	0
10462	Undefined_Atom_Stereo_Count	0
242364	Hydrogen_Bond_Donor_Count	2
14200531	Mono_Isotopic_Weight	145.98600716
5289158	Covalent_Unit_Count	1
6537201	Hydrogen_Bond_Acceptor_Count	3
448126	Defined_Atom_Stereo_Count	3
156592059	Hydrogen_Bond_Donor_Count	8
22565	Mono_Isotopic_Weight	296.188863393
49868142	Structure_Complexity	12
1333	Non-hydrogen_Atom_Count	16
21107383	Molecular_Weight	376.9
20648653	XLogP3-AA	0.9
71602803	Exact_Mass	337.14264148
135413546	Molecular_Weight	324.13
6337614	Defined_Atom_Stereo_Count	2
35758	Total_Formal_Charge	0
54587596	Total_Formal_Charge	0
444913	Covalent_Unit_Count	1
18405	TPSA	52.6
18622368	Total_Formal_Charge	0
13837	Rotatable_Bond_Count	2
5354043	Exact_Mass	286.229665576
5282545	Isotope_Atom_Count	0
3082393	Isotope_Atom_Count	0
98043899	Exact_Mass	416.32904526
14306122	Exact_Mass	370.30830982
91667835	Rotatable_Bond_Count	4
69647192	Structure_Complexity	115
11496886	Hydrogen_Bond_Donor_Count	3
10153996	Hydrogen_Bond_Donor_Count	1
10953595	Hydrogen_Bond_Donor_Count	0
5320621	TPSA	47.6
256539	Isotope_Atom_Count	0
168701	TPSA	108
25094462	Covalent_Unit_Count	1
109325	Exact_Mass	221.9753576
118285	Defined_Atom_Stereo_Count	0
135476770	Hydrogen_Bond_Donor_Count	6
24117	Tautomer_Count	1
21190979	Rotatable_Bond_Count	3
25203400	Mono_Isotopic_Weight	136.112624451
135	Tautomer_Count	8
86042	Hydrogen_Bond_Donor_Count	2
61810	Hydrogen_Bond_Donor_Count	1
38768	Isotope_Atom_Count	0
415628	XLogP3-AA	2
2347	Exact_Mass	312.13615911
755686	Non-hydrogen_Atom_Count	17
12217061	Molecular_Weight	97.12
1100	Covalent_Unit_Count	1
22805729	Molecular_Weight	464.5
86673	Mono_Isotopic_Weight	206.09027155
567743	Defined_Bond_Stereo_Count	0
15096	Isotope_Atom_Count	0
7790	XLogP3-AA	2.4
154517172	XLogP3-AA	1
44629594	Defined_Bond_Stereo_Count	0
390798	Covalent_Unit_Count	1
44720578	Covalent_Unit_Count	1
1765	Defined_Bond_Stereo_Count	0
5282489	Structure_Complexity	244
407	Isotope_Atom_Count	0
863	Undefined_Bond_Stereo_Count	0
6412	Structure_Complexity	104
59295925	Covalent_Unit_Count	1
319701	XLogP3-AA	0.9
56680325	Covalent_Unit_Count	1
15535737	Non-hydrogen_Atom_Count	8
61444	Covalent_Unit_Count	9
5311211	Covalent_Unit_Count	1
44521019	Undefined_Bond_Stereo_Count	0
2318546	Molecular_Weight	334.4
688691	Non-hydrogen_Atom_Count	12
5423	Hydrogen_Bond_Donor_Count	2
696925	Total_Formal_Charge	0
64945	Rotatable_Bond_Count	1
9955534	Undefined_Bond_Stereo_Count	0
148335	Molecular_Weight	259.10
90397060	Mono_Isotopic_Weight	1201.84136802
129654248	Undefined_Bond_Stereo_Count	0
20150	Hydrogen_Bond_Donor_Count	0
73481	Defined_Atom_Stereo_Count	2
75779	Defined_Bond_Stereo_Count	0
21718085	Undefined_Atom_Stereo_Count	2
21917310	Tautomer_Count	1
36689113	TPSA	114
701745	Covalent_Unit_Count	1
6422232	Undefined_Atom_Stereo_Count	0
57473011	Covalent_Unit_Count	1
8667	Structure_Complexity	235
80510	Defined_Atom_Stereo_Count	0
5460037	Defined_Atom_Stereo_Count	14
43184	Undefined_Bond_Stereo_Count	0
161091	Total_Formal_Charge	0
637892	Covalent_Unit_Count	1
7829	Molecular_Weight	230.30
7573	Exact_Mass	226.146998583
96338	Undefined_Bond_Stereo_Count	0
54099616	Defined_Bond_Stereo_Count	0
41049	Defined_Atom_Stereo_Count	0
45257	Mono_Isotopic_Weight	291.18344366
4571243	Structure_Complexity	296
37723	Defined_Atom_Stereo_Count	35
55245	Rotatable_Bond_Count	3
5971	Structure_Complexity	81.5
24211992	Covalent_Unit_Count	1
6227	XLogP3	0.4
12248306	Molecular_Weight	230.14
3476986	Defined_Atom_Stereo_Count	0
107908	Structure_Complexity	8
443037	Covalent_Unit_Count	1
20016	Covalent_Unit_Count	1
5480431	Hydrogen_Bond_Donor_Count	5
78249	Hydrogen_Bond_Donor_Count	0
21325324	TPSA	23.2
1549120	Mono_Isotopic_Weight	319.03368562
135332658	Undefined_Bond_Stereo_Count	0
58376271	Defined_Atom_Stereo_Count	0
7045767	XLogP3-AA	0.4
326	Total_Formal_Charge	0
68284	Defined_Atom_Stereo_Count	0
27686	Covalent_Unit_Count	1
12888377	Mono_Isotopic_Weight	109.063997236
124525065	Rotatable_Bond_Count	0
6119	Undefined_Atom_Stereo_Count	0
117717939	Rotatable_Bond_Count	4
4619	Tautomer_Count	1
12298558	Covalent_Unit_Count	1
40470	Rotatable_Bond_Count	1
11572	Undefined_Bond_Stereo_Count	0
36573	Isotope_Atom_Count	0
21769	Isotope_Atom_Count	0
4913256	Non-hydrogen_Atom_Count	7
72758138	Non-hydrogen_Atom_Count	32
47675	Total_Formal_Charge	0
11243457	Covalent_Unit_Count	2
15715913	Defined_Atom_Stereo_Count	0
14139322	Hydrogen_Bond_Acceptor_Count	1
447476	Hydrogen_Bond_Donor_Count	4
11987858	Hydrogen_Bond_Donor_Count	0
3032306	Defined_Bond_Stereo_Count	0
18186100	Mono_Isotopic_Weight	101.00476828
58166	Tautomer_Count	2
14065290	Covalent_Unit_Count	1
23664644	Mono_Isotopic_Weight	194.99660851
44578615	Isotope_Atom_Count	0
354520	Total_Formal_Charge	0
51021	Hydrogen_Bond_Acceptor_Count	5
52148	TPSA	75.6
82441	Structure_Complexity	385
21120209	Hydrogen_Bond_Donor_Count	1
123779724	Defined_Bond_Stereo_Count	0
24989869	Molecular_Weight	415.5
873	TPSA	57.5
146199	Undefined_Atom_Stereo_Count	0
5524	Molecular_Weight	215.29
11423563	Non-hydrogen_Atom_Count	7
6914282	Structure_Complexity	798
88976	Defined_Atom_Stereo_Count	0
15664	Hydrogen_Bond_Donor_Count	0
167085	Undefined_Atom_Stereo_Count	0
5281426	Undefined_Bond_Stereo_Count	0
46853632	Non-hydrogen_Atom_Count	34
91766	TPSA	67.4
72196	Undefined_Bond_Stereo_Count	0
3082781	Undefined_Atom_Stereo_Count	0
24401	Molecular_Weight	118.936
119177	Isotope_Atom_Count	0
205953	Structure_Complexity	570
446320	Covalent_Unit_Count	1
5288393	Covalent_Unit_Count	1
217049	Undefined_Atom_Stereo_Count	0
11240435	Defined_Bond_Stereo_Count	0
24838350	Undefined_Atom_Stereo_Count	1
69942112	Mono_Isotopic_Weight	118.062994177
7375	Defined_Bond_Stereo_Count	0
668620	Exact_Mass	310.13511374
23679441	Tautomer_Count	28
52230	Molecular_Weight	290.31
31639	Undefined_Bond_Stereo_Count	0
91807240	TPSA	29
5315472	Exact_Mass	308.10485899
16590	Hydrogen_Bond_Acceptor_Count	2
54572926	Total_Formal_Charge	0
15990796	Defined_Atom_Stereo_Count	0
10197842	Mono_Isotopic_Weight	163.06669983
5311201	Isotope_Atom_Count	0
637796	XLogP3	3.1
102239071	Defined_Bond_Stereo_Count	0
71950363	Undefined_Atom_Stereo_Count	0
444461	Total_Formal_Charge	0
41733	Hydrogen_Bond_Acceptor_Count	2
42608371	Mono_Isotopic_Weight	287.24604391
139079010	Isotope_Atom_Count	0
79316	Defined_Atom_Stereo_Count	0
720493	TPSA	55.1
12902531	Non-hydrogen_Atom_Count	8
44578615	TPSA	108
23479	Undefined_Atom_Stereo_Count	1
19596	Molecular_Weight	294.33
439196	Isotope_Atom_Count	0
13000487	Defined_Bond_Stereo_Count	0
656892	Undefined_Atom_Stereo_Count	0
4571243	Exact_Mass	342.29123426
24892843	Structure_Complexity	302
159738	Total_Formal_Charge	0
31917	XLogP3-AA	2.2
32416	Rotatable_Bond_Count	1
428	Covalent_Unit_Count	1
89930457	Undefined_Bond_Stereo_Count	0
56841975	Non-hydrogen_Atom_Count	23
16684463	Rotatable_Bond_Count	8
134688093	Exact_Mass	804.46599222
817470	Covalent_Unit_Count	1
14307964	Molecular_Weight	102.13
3035914	Molecular_Weight	258.32
280	Isotope_Atom_Count	0
123417941	Undefined_Atom_Stereo_Count	0
36647	Structure_Complexity	234
136891	Hydrogen_Bond_Acceptor_Count	1
23665759	Non-hydrogen_Atom_Count	6
72023	Rotatable_Bond_Count	6
88093945	Exact_Mass	416.32904526
124823	Non-hydrogen_Atom_Count	17
124770286	Mono_Isotopic_Weight	665.30474055
53317121	Rotatable_Bond_Count	1
7652	Hydrogen_Bond_Donor_Count	0
123914282	Covalent_Unit_Count	1
522621	Structure_Complexity	143
1993	Isotope_Atom_Count	0
19549	Molecular_Weight	199.63
45934213	Mono_Isotopic_Weight	490.0846756
83907	Structure_Complexity	203
95428	Undefined_Atom_Stereo_Count	1
12708563	Mono_Isotopic_Weight	114.104465066
90488771	Structure_Complexity	755
11979316	Exact_Mass	2138.8695618
57000164	Defined_Bond_Stereo_Count	0
504	Tautomer_Count	5
21580808	Molecular_Weight	273.37
58196257	Isotope_Atom_Count	0
3777	TPSA	83.8
45358084	Undefined_Atom_Stereo_Count	0
22833489	Mono_Isotopic_Weight	345.938317
10303	Covalent_Unit_Count	1
69319	Undefined_Bond_Stereo_Count	0
5463057	Rotatable_Bond_Count	2
3817	Structure_Complexity	940
22224160	XLogP3-AA	2.4
12201383	Molecular_Weight	107.11
17318	Structure_Complexity	229
94154	Total_Formal_Charge	0
18908	TPSA	9.2
46225190	Isotope_Atom_Count	0
11672659	Molecular_Weight	98.14
11074101	Defined_Bond_Stereo_Count	0
17898580	Molecular_Weight	100.16
124744579	Defined_Atom_Stereo_Count	19
90473211	Total_Formal_Charge	0
39650	Undefined_Atom_Stereo_Count	0
1683	Undefined_Bond_Stereo_Count	0
44429	Undefined_Bond_Stereo_Count	0
138621	Total_Formal_Charge	0
520911	Covalent_Unit_Count	1
94599	Total_Formal_Charge	0
62582	Rotatable_Bond_Count	14
5284556	Mono_Isotopic_Weight	144.0341926
49784945	Molecular_Weight	377.4
15810462	Covalent_Unit_Count	1
54605730	Undefined_Atom_Stereo_Count	1
19768091	Hydrogen_Bond_Donor_Count	0
7292	Covalent_Unit_Count	1
53326156	Covalent_Unit_Count	1
98148765	Covalent_Unit_Count	1
23276065	Exact_Mass	362.0144595
92781	Total_Formal_Charge	0
67542	Hydrogen_Bond_Acceptor_Count	13
66908001	Covalent_Unit_Count	1
5488547	Covalent_Unit_Count	3
74735	Undefined_Atom_Stereo_Count	0
6538998	Undefined_Bond_Stereo_Count	0
2277	Total_Formal_Charge	0
5460056	Covalent_Unit_Count	1
8881	Exact_Mass	111.9846556
12642447	Total_Formal_Charge	0
24848068	Undefined_Bond_Stereo_Count	0
20535601	Mono_Isotopic_Weight	113.084063974
92043261	Defined_Atom_Stereo_Count	0
122214804	Undefined_Bond_Stereo_Count	0
147707445	Total_Formal_Charge	0
60822	Total_Formal_Charge	0
6545	Undefined_Bond_Stereo_Count	0
853433	Non-hydrogen_Atom_Count	12
613952	Exact_Mass	238.110613074
50537	Exact_Mass	423.1037849
71457269	Molecular_Weight	512.0
58044734	Mono_Isotopic_Weight	99.068413911
97414	TPSA	103
9552081	Total_Formal_Charge	0
16683704	Hydrogen_Bond_Donor_Count	1
6419964	Hydrogen_Bond_Donor_Count	1
57504473	Non-hydrogen_Atom_Count	35
92185	Covalent_Unit_Count	1
17581	Defined_Atom_Stereo_Count	0
20729555	Undefined_Bond_Stereo_Count	0
62739	Molecular_Weight	258.23
35365	Total_Formal_Charge	0
127150	Hydrogen_Bond_Acceptor_Count	7
11829397	Mono_Isotopic_Weight	114.068079557
698851	Hydrogen_Bond_Donor_Count	0
9844194	Isotope_Atom_Count	0
22983309	Molecular_Weight	110.20
9912474	Undefined_Bond_Stereo_Count	0
2737701	Structure_Complexity	76.8
154361546	Covalent_Unit_Count	1
12323	XLogP3-AA	2
16129682	Undefined_Atom_Stereo_Count	34
11241863	Undefined_Bond_Stereo_Count	0
14885960	Hydrogen_Bond_Acceptor_Count	6
24556	Hydrogen_Bond_Acceptor_Count	4
2014	Exact_Mass	288.0777887
144452917	Undefined_Atom_Stereo_Count	0
87114	Undefined_Bond_Stereo_Count	0
44120140	TPSA	113
83788	Exact_Mass	175.08445790
70385	Undefined_Atom_Stereo_Count	0
16323	Molecular_Weight	188.65
8443	Non-hydrogen_Atom_Count	11
53393583	Hydrogen_Bond_Acceptor_Count	0
10892838	Total_Formal_Charge	0
15940185	TPSA	199
7419	Tautomer_Count	3
14770	Hydrogen_Bond_Acceptor_Count	0
893322	TPSA	92.9
80293	Mono_Isotopic_Weight	123.068413911
101567485	Rotatable_Bond_Count	2
131966764	Isotope_Atom_Count	0
9931156	XLogP3-AA	2.2
12277679	Isotope_Atom_Count	0
135449331	Hydrogen_Bond_Acceptor_Count	11
129829002	TPSA	47
154067559	Mono_Isotopic_Weight	84.021129366
89748954	Hydrogen_Bond_Donor_Count	1
34815	Structure_Complexity	315
10989	Mono_Isotopic_Weight	158.167065321
38963	Covalent_Unit_Count	2
44427236	Defined_Atom_Stereo_Count	0
191	Non-hydrogen_Atom_Count	19
67247924	Isotope_Atom_Count	0
16219371	Rotatable_Bond_Count	4
14380	Defined_Atom_Stereo_Count	0
1638753	Molecular_Weight	180.23
72149	Molecular_Weight	382.5
9180	Hydrogen_Bond_Donor_Count	0
4168142	Defined_Atom_Stereo_Count	0
5556	Rotatable_Bond_Count	1
21585139	Structure_Complexity	0
57148	Hydrogen_Bond_Acceptor_Count	6
54706667	Hydrogen_Bond_Acceptor_Count	4
1815	Mono_Isotopic_Weight	417.07372967
54480591	Exact_Mass	94.078250319
12226994	Structure_Complexity	38.5
187888	Isotope_Atom_Count	0
21057	Undefined_Bond_Stereo_Count	0
7877	Defined_Bond_Stereo_Count	0
686073	Undefined_Bond_Stereo_Count	0
4168	Structure_Complexity	300
84292	Isotope_Atom_Count	0
5352621	Molecular_Weight	277.4
5282437	Non-hydrogen_Atom_Count	40
86063	Exact_Mass	183.06439116
5464262	Mono_Isotopic_Weight	570.0888804
92292	Non-hydrogen_Atom_Count	15
4666	Undefined_Atom_Stereo_Count	11
66837179	Total_Formal_Charge	0
138506	Total_Formal_Charge	0
13559279	Rotatable_Bond_Count	3
5328940	Undefined_Atom_Stereo_Count	0
98626	Hydrogen_Bond_Donor_Count	1
140672839	Structure_Complexity	853
216225	Exact_Mass	421.14715559
53910819	Undefined_Bond_Stereo_Count	1
10844548	Structure_Complexity	77.7
84648	Hydrogen_Bond_Acceptor_Count	3
1647	TPSA	49.8
598760	Defined_Bond_Stereo_Count	0
5904	Molecular_Weight	334.4
12389638	Undefined_Atom_Stereo_Count	0
9973799	Covalent_Unit_Count	1
31277	Undefined_Bond_Stereo_Count	0
148546155	Undefined_Atom_Stereo_Count	0
5486198	Isotope_Atom_Count	0
31315	TPSA	69.6
521939	Undefined_Atom_Stereo_Count	0
55286482	Molecular_Weight	114.10
6537499	Rotatable_Bond_Count	2
139085	Rotatable_Bond_Count	0
534940	Mono_Isotopic_Weight	101.047678466
68705	Defined_Bond_Stereo_Count	0
6440900	Tautomer_Count	1
75530159	Undefined_Atom_Stereo_Count	0
77290	Defined_Atom_Stereo_Count	0
101267493	Non-hydrogen_Atom_Count	46
98442	Defined_Bond_Stereo_Count	0
65798	Non-hydrogen_Atom_Count	33
12412244	Molecular_Weight	87.08
443939	TPSA	206
542338	Mono_Isotopic_Weight	100.088815002
25217563	Undefined_Bond_Stereo_Count	0
3085218	Structure_Complexity	345
7826	Isotope_Atom_Count	0
9989264	TPSA	17.8
123801	Structure_Complexity	174
136247302	Covalent_Unit_Count	1
10599	Undefined_Atom_Stereo_Count	1
4015	Defined_Bond_Stereo_Count	0
11607904	Defined_Bond_Stereo_Count	0
5045307	Hydrogen_Bond_Acceptor_Count	21
5523	Rotatable_Bond_Count	4
16137271	Non-hydrogen_Atom_Count	413
152260	Isotope_Atom_Count	0
104677	Total_Formal_Charge	0
8994	Exact_Mass	396.0643624
42291	Defined_Atom_Stereo_Count	0
123899588	Non-hydrogen_Atom_Count	8
79729	Hydrogen_Bond_Acceptor_Count	4
6918331	Covalent_Unit_Count	1
21637412	Non-hydrogen_Atom_Count	30
4253	Molecular_Weight	285.34
141082	Mono_Isotopic_Weight	98.073164938
145937	Total_Formal_Charge	0
123612613	Total_Formal_Charge	0
119036	Structure_Complexity	99.3
13170124	Isotope_Atom_Count	0
62731702	TPSA	48.9
75987156	Rotatable_Bond_Count	4
12659781	Defined_Atom_Stereo_Count	0
79772	Undefined_Atom_Stereo_Count	0
16685	Tautomer_Count	1
77245	Structure_Complexity	218
44629522	Exact_Mass	582.31433815
71459165	Rotatable_Bond_Count	3
11013485	Hydrogen_Bond_Donor_Count	1
23678802	Covalent_Unit_Count	2
19973	Total_Formal_Charge	0
2734898	Hydrogen_Bond_Acceptor_Count	3
58488970	Defined_Atom_Stereo_Count	0
4205687	Structure_Complexity	57.5
46898058	TPSA	108
6145	Total_Formal_Charge	0
12057264	Hydrogen_Bond_Acceptor_Count	1
351	Molecular_Weight	483.5
9361	TPSA	194
61055	Defined_Bond_Stereo_Count	0
11126	Covalent_Unit_Count	1
101661938	Isotope_Atom_Count	0
144550270	Covalent_Unit_Count	1
15178986	Molecular_Weight	109.13
449343	Hydrogen_Bond_Donor_Count	5
3775	Mono_Isotopic_Weight	353.259288680
23385063	Non-hydrogen_Atom_Count	8
72074	XLogP3-AA	0.4
11895	Molecular_Weight	170.59
89027474	Structure_Complexity	101
95864	Mono_Isotopic_Weight	178.00885060
97754	Undefined_Atom_Stereo_Count	1
2531445	Covalent_Unit_Count	1
581676	Mono_Isotopic_Weight	289.16779360
6677	Defined_Bond_Stereo_Count	0
11001426	Structure_Complexity	320
6806	Molecular_Weight	556.86
10975462	Structure_Complexity	70.1
62379	Tautomer_Count	1
86018330	Rotatable_Bond_Count	2
134925337	Non-hydrogen_Atom_Count	7
5468154	Undefined_Atom_Stereo_Count	0
11245456	Hydrogen_Bond_Donor_Count	1
1621	Isotope_Atom_Count	0
163771360	Covalent_Unit_Count	1
688015	Undefined_Bond_Stereo_Count	0
56658432	Undefined_Atom_Stereo_Count	1
6445562	Hydrogen_Bond_Acceptor_Count	7
9795276	Total_Formal_Charge	0
5336	Defined_Bond_Stereo_Count	0
23182417	Structure_Complexity	119
4019563	TPSA	197
141096113	Exact_Mass	116.083729621
56834579	Covalent_Unit_Count	1
9843941	Undefined_Bond_Stereo_Count	0
659218	Structure_Complexity	315
2752648	Rotatable_Bond_Count	1
24405	Tautomer_Count	3
40537360	Undefined_Bond_Stereo_Count	0
12948	Isotope_Atom_Count	0
9852746	Defined_Atom_Stereo_Count	0
4477	Molecular_Weight	327.12
83976	Exact_Mass	908.4471039
88239551	Exact_Mass	107.037113783
48289	Non-hydrogen_Atom_Count	20
45117282	Exact_Mass	111.032028402
11258643	Undefined_Bond_Stereo_Count	0
139085145	Undefined_Bond_Stereo_Count	0
5361848	Hydrogen_Bond_Acceptor_Count	10
62219	Undefined_Atom_Stereo_Count	0
55291579	Exact_Mass	113.058911855
427860	Undefined_Bond_Stereo_Count	0
135484651	Mono_Isotopic_Weight	473.16589610
126997316	Hydrogen_Bond_Acceptor_Count	2
1498	Undefined_Atom_Stereo_Count	0
13062961	Hydrogen_Bond_Acceptor_Count	2
7417	Structure_Complexity	133
449069	Molecular_Weight	242.32
53860785	Undefined_Bond_Stereo_Count	0
94097	Covalent_Unit_Count	1
114681	Covalent_Unit_Count	1
58550597	Total_Formal_Charge	0
4876	Non-hydrogen_Atom_Count	10
48807	Hydrogen_Bond_Acceptor_Count	3
44310946	Hydrogen_Bond_Donor_Count	1
79882	Exact_Mass	87.104799419
135436533	Molecular_Weight	351.3
5280492	XLogP3-AA	4.1
21696748	Undefined_Atom_Stereo_Count	2
519842	XLogP3-AA	1.7
30380	Defined_Atom_Stereo_Count	0
89886	Defined_Atom_Stereo_Count	8
98675	Isotope_Atom_Count	0
72582	Total_Formal_Charge	0
6552009	Defined_Bond_Stereo_Count	0
14362	Structure_Complexity	372
1289	Mono_Isotopic_Weight	349.20015635
56037	Rotatable_Bond_Count	10
135408714	Defined_Atom_Stereo_Count	0
65417277	Molecular_Weight	114.11
66863	Hydrogen_Bond_Acceptor_Count	6
2815	Molecular_Weight	294.50
18955278	Mono_Isotopic_Weight	97.052763847
22466500	Hydrogen_Bond_Acceptor_Count	3
9231	XLogP3	3.2
9816	Undefined_Bond_Stereo_Count	0
7524	Undefined_Bond_Stereo_Count	0
6670	XLogP3-AA	1.8
11351021	Undefined_Atom_Stereo_Count	0
6436658	Molecular_Weight	1001.1
993	Rotatable_Bond_Count	1
131869249	Hydrogen_Bond_Donor_Count	0
53323740	Structure_Complexity	373
635186	Covalent_Unit_Count	1
44516953	Structure_Complexity	913
11571906	Hydrogen_Bond_Donor_Count	5
9690122	Exact_Mass	292.0146493
129815925	Undefined_Atom_Stereo_Count	0
57078122	Defined_Bond_Stereo_Count	0
142149539	Isotope_Atom_Count	0
156592059	Mono_Isotopic_Weight	895.04440356
24266	Undefined_Atom_Stereo_Count	0
32350	Molecular_Weight	731.7
6426740	Structure_Complexity	675
12315192	TPSA	120
87279974	Structure_Complexity	96
6436082	Isotope_Atom_Count	0
24268	Non-hydrogen_Atom_Count	5
1341	XLogP3-AA	3.3
43184	Defined_Atom_Stereo_Count	0
519726	Hydrogen_Bond_Acceptor_Count	2
14720269	Mono_Isotopic_Weight	381.11230696
48288	Non-hydrogen_Atom_Count	22
441350	Undefined_Bond_Stereo_Count	0
62530	Mono_Isotopic_Weight	206.167065321
691409	Hydrogen_Bond_Acceptor_Count	5
11048104	Defined_Atom_Stereo_Count	0
140999	Mono_Isotopic_Weight	85.089149355
10239	Defined_Bond_Stereo_Count	0
52943269	Defined_Atom_Stereo_Count	1
11349505	Structure_Complexity	315
59295925	Defined_Atom_Stereo_Count	1
3788074	Exact_Mass	434.02424314
12240030	Covalent_Unit_Count	1
46917793	Undefined_Bond_Stereo_Count	0
62783	Undefined_Bond_Stereo_Count	0
64000	Mono_Isotopic_Weight	439.11366728
5288217	Hydrogen_Bond_Donor_Count	4
3010818	Exact_Mass	679.40573244
2135	Defined_Atom_Stereo_Count	0
55286731	Total_Formal_Charge	0
44263853	Mono_Isotopic_Weight	966.28524644
24219262	Undefined_Atom_Stereo_Count	0
93348	Undefined_Atom_Stereo_Count	0
56663314	Hydrogen_Bond_Donor_Count	1
6438129	Rotatable_Bond_Count	7
25137918	Structure_Complexity	710
13413802	Defined_Bond_Stereo_Count	0
21921	Structure_Complexity	6
115739	Structure_Complexity	240
91514136	Exact_Mass	100.052429494
20838085	Exact_Mass	541.22465702
85776583	Defined_Atom_Stereo_Count	0
130553	Total_Formal_Charge	0
14714356	TPSA	9.2
19838382	Structure_Complexity	103
122361564	XLogP3-AA	5.9
47953	Defined_Bond_Stereo_Count	0
9045	Hydrogen_Bond_Donor_Count	2
71311162	Structure_Complexity	385
70695665	Structure_Complexity	432
239041	Molecular_Weight	55.08
49868115	Hydrogen_Bond_Acceptor_Count	4
459235	Hydrogen_Bond_Acceptor_Count	2
137076	XLogP3-AA	2
91480910	Defined_Bond_Stereo_Count	0
273577	Rotatable_Bond_Count	3
18495	Defined_Bond_Stereo_Count	0
281	Undefined_Atom_Stereo_Count	0
33068	Hydrogen_Bond_Donor_Count	1
12343	Undefined_Atom_Stereo_Count	0
15284	Mono_Isotopic_Weight	512.24101810
447297	Structure_Complexity	477
88959085	Mono_Isotopic_Weight	114.031694049
94418	Mono_Isotopic_Weight	429.20121898
20279764	Mono_Isotopic_Weight	112.125200510
873	Hydrogen_Bond_Donor_Count	2
123854	Isotope_Atom_Count	0
66638	Molecular_Weight	254.26
67979346	Total_Formal_Charge	0
63011	Mono_Isotopic_Weight	382.0931640
53992	Undefined_Bond_Stereo_Count	0
69319	Undefined_Atom_Stereo_Count	0
70124	Non-hydrogen_Atom_Count	10
50129	Total_Formal_Charge	0
20607721	Structure_Complexity	96.6
148039025	Hydrogen_Bond_Acceptor_Count	1
49007	Undefined_Bond_Stereo_Count	0
66087	Structure_Complexity	102
46206296	Undefined_Bond_Stereo_Count	0
2783	Non-hydrogen_Atom_Count	17
123249588	Covalent_Unit_Count	1
34377	Tautomer_Count	2
61896	Isotope_Atom_Count	0
2795425	Rotatable_Bond_Count	0
44412	Structure_Complexity	44.1
134436906	Mono_Isotopic_Weight	525.24883788
984456	Defined_Atom_Stereo_Count	0
89133905	Hydrogen_Bond_Donor_Count	1
878	Covalent_Unit_Count	1
71583603	Molecular_Weight	397.5
21613900	Hydrogen_Bond_Acceptor_Count	2
15547628	Undefined_Atom_Stereo_Count	0
442021	Non-hydrogen_Atom_Count	29
170366	Hydrogen_Bond_Donor_Count	0
9259	Exact_Mass	80.037448136
6785	Covalent_Unit_Count	1
87244770	Molecular_Weight	116.11
556722	Exact_Mass	108.093900383
10176127	Defined_Atom_Stereo_Count	0
5794	Mono_Isotopic_Weight	338.20932405
628181	Molecular_Weight	370.5
5375199	Exact_Mass	264.13615911
28346	Total_Formal_Charge	0
164695	Defined_Bond_Stereo_Count	0
6921800	Rotatable_Bond_Count	6
61235	Defined_Bond_Stereo_Count	0
102146446	Exact_Mass	115.123523487
12642447	Hydrogen_Bond_Donor_Count	0
117774578	Hydrogen_Bond_Acceptor_Count	2
45357473	Hydrogen_Bond_Donor_Count	0
15657909	Covalent_Unit_Count	1
12676	Rotatable_Bond_Count	2
10964417	Defined_Atom_Stereo_Count	0
135436537	Hydrogen_Bond_Acceptor_Count	9
129720364	Non-hydrogen_Atom_Count	20
12774755	Hydrogen_Bond_Donor_Count	1
405741	Undefined_Atom_Stereo_Count	1
4392	Molecular_Weight	344.26
3222	Isotope_Atom_Count	0
20729555	Undefined_Atom_Stereo_Count	0
19065710	Undefined_Atom_Stereo_Count	1
7986	Total_Formal_Charge	0
4517	Undefined_Bond_Stereo_Count	0
58979809	Hydrogen_Bond_Acceptor_Count	2
33112	Mono_Isotopic_Weight	224.1291556
90622	Undefined_Atom_Stereo_Count	0
50385	Molecular_Weight	364.4
24965990	Hydrogen_Bond_Donor_Count	0
21847	Mono_Isotopic_Weight	362.199428076
229126	Covalent_Unit_Count	1
444655	Non-hydrogen_Atom_Count	9
313215	Defined_Atom_Stereo_Count	0
851990	Undefined_Atom_Stereo_Count	0
60924	Hydrogen_Bond_Acceptor_Count	4
22220896	Defined_Atom_Stereo_Count	0
89803	Isotope_Atom_Count	0
9907847	Isotope_Atom_Count	0
155794	Hydrogen_Bond_Donor_Count	1
143647928	Mono_Isotopic_Weight	97.052763847
164914198	TPSA	9.2
28166	Total_Formal_Charge	0
131700865	Hydrogen_Bond_Donor_Count	2
854	Exact_Mass	150.05282342
25007063	Non-hydrogen_Atom_Count	31
66199435	Hydrogen_Bond_Donor_Count	1
3392731	Non-hydrogen_Atom_Count	35
20793238	Rotatable_Bond_Count	1
5167	Hydrogen_Bond_Acceptor_Count	5
63093	TPSA	0
210301	Defined_Atom_Stereo_Count	0
27295	Defined_Atom_Stereo_Count	0
34213	Defined_Atom_Stereo_Count	0
688378	Rotatable_Bond_Count	4
14677	Molecular_Weight	296.4
719044	Mono_Isotopic_Weight	217.09635999
14194342	TPSA	66.8
182951	Molecular_Weight	413.2
4969	Tautomer_Count	10
3081	Covalent_Unit_Count	1
6440842	Undefined_Atom_Stereo_Count	1
72385	Molecular_Weight	616.8
89976630	Molecular_Weight	107.11
69319	Defined_Atom_Stereo_Count	0
681183	Non-hydrogen_Atom_Count	22
858	Covalent_Unit_Count	1
11957621	Structure_Complexity	130
9176	Exact_Mass	278.109550447
67482753	TPSA	59.2
17995824	Undefined_Atom_Stereo_Count	0
31222	Hydrogen_Bond_Acceptor_Count	2
156412638	Hydrogen_Bond_Donor_Count	1
54370822	Defined_Bond_Stereo_Count	0
21749233	Covalent_Unit_Count	1
23617864	Mono_Isotopic_Weight	210.161979940
24900813	Hydrogen_Bond_Donor_Count	5
11457	Tautomer_Count	1
236666	Isotope_Atom_Count	0
138506	Isotope_Atom_Count	0
10775	Hydrogen_Bond_Acceptor_Count	4
156460742	Rotatable_Bond_Count	3
26690	Mono_Isotopic_Weight	199.193614421
1964	Defined_Bond_Stereo_Count	0
9794126	Defined_Bond_Stereo_Count	0
10049	Molecular_Weight	154.25
2803	XLogP3	1.6
10291131	Structure_Complexity	382
1548986	Covalent_Unit_Count	1
5964319	Defined_Bond_Stereo_Count	1
6016	Covalent_Unit_Count	1
519971	Molecular_Weight	109.13
211202	Defined_Atom_Stereo_Count	0
3636	Isotope_Atom_Count	0
10314049	Rotatable_Bond_Count	3
2777109	Isotope_Atom_Count	0
101771	Exact_Mass	334.25079494
549253	Covalent_Unit_Count	1
2943	Structure_Complexity	290
16989	Undefined_Bond_Stereo_Count	0
701741	XLogP3-AA	1.8
2724118	Molecular_Weight	282.1
12289749	Defined_Bond_Stereo_Count	0
57397762	Mono_Isotopic_Weight	482.21403277
110373	Non-hydrogen_Atom_Count	8
58996537	Defined_Atom_Stereo_Count	0
25063260	Exact_Mass	565.2013347
512984	Defined_Atom_Stereo_Count	0
12206	Defined_Bond_Stereo_Count	0
7852	Structure_Complexity	7.2
124069	Defined_Atom_Stereo_Count	0
22386229	Defined_Bond_Stereo_Count	0
70122	Undefined_Atom_Stereo_Count	0
45280821	Molecular_Weight	1112.4
30380	Structure_Complexity	203
6545	Defined_Atom_Stereo_Count	0
6918558	Undefined_Bond_Stereo_Count	0
138844	Hydrogen_Bond_Donor_Count	1
3012	Defined_Atom_Stereo_Count	0
137941	Defined_Bond_Stereo_Count	0
7904	Covalent_Unit_Count	1
44149909	Mono_Isotopic_Weight	691.39449905
118733511	Undefined_Bond_Stereo_Count	0
25070195	Hydrogen_Bond_Acceptor_Count	5
54170005	Undefined_Bond_Stereo_Count	1
11656753	Defined_Atom_Stereo_Count	0
992	Rotatable_Bond_Count	0
72732196	Total_Formal_Charge	0
558546	XLogP3-AA	0.6
68529525	Defined_Atom_Stereo_Count	0
520381	Exact_Mass	206.203450829
71107	Exact_Mass	426.12494298
446378	Hydrogen_Bond_Donor_Count	2
44241626	Molecular_Weight	499.9
12664944	Mono_Isotopic_Weight	100.088815002
7845	Undefined_Atom_Stereo_Count	0
68414798	Rotatable_Bond_Count	5
10942334	Rotatable_Bond_Count	0
44353367	Mono_Isotopic_Weight	344.0119330
14465	Undefined_Atom_Stereo_Count	0
32816	Defined_Atom_Stereo_Count	0
12255457	Defined_Bond_Stereo_Count	0
162990683	Covalent_Unit_Count	1
219224	Exact_Mass	113.047678466
4830	Covalent_Unit_Count	1
24458	Total_Formal_Charge	0
12089	Covalent_Unit_Count	1
219096	Total_Formal_Charge	0
305444	Undefined_Bond_Stereo_Count	0
62173	Defined_Bond_Stereo_Count	0
102175	Covalent_Unit_Count	1
141697522	TPSA	110
19920	XLogP3-AA	0.6
13583	TPSA	26
62708	Total_Formal_Charge	0
50317	Hydrogen_Bond_Acceptor_Count	2
214347	Molecular_Weight	329.4
54728506	Total_Formal_Charge	0
13346	Hydrogen_Bond_Acceptor_Count	5
534753	Isotope_Atom_Count	0
81151	Exact_Mass	89.047678466
8259	Mono_Isotopic_Weight	147.924948
7647	Mono_Isotopic_Weight	182.109550447
536431	Mono_Isotopic_Weight	116.083729621
6918546	XLogP3-AA	0.8
54518010	Isotope_Atom_Count	0
10017965	Covalent_Unit_Count	1
8268	Defined_Atom_Stereo_Count	0
123492457	TPSA	0
145644354	Covalent_Unit_Count	1
135413554	Total_Formal_Charge	0
7601	Hydrogen_Bond_Acceptor_Count	2
15765	Hydrogen_Bond_Donor_Count	1
71449859	XLogP3-AA	3.2
31364	XLogP3-AA	2.3
103392307	Hydrogen_Bond_Acceptor_Count	1
23668516	Undefined_Bond_Stereo_Count	0
12530	Isotope_Atom_Count	0
138264	Tautomer_Count	1
22280308	Mono_Isotopic_Weight	96.043596145
1169	Non-hydrogen_Atom_Count	44
428338	Rotatable_Bond_Count	2
12381281	Non-hydrogen_Atom_Count	7
120303	Hydrogen_Bond_Donor_Count	0
12561666	Rotatable_Bond_Count	0
22614138	TPSA	0
117683867	Hydrogen_Bond_Donor_Count	11
74764517	Defined_Atom_Stereo_Count	0
54685920	Exact_Mass	480.1299435
137859	Undefined_Atom_Stereo_Count	0
441409	Molecular_Weight	484.4
11018839	Rotatable_Bond_Count	1
11466	Undefined_Bond_Stereo_Count	0
11529	Exact_Mass	130.099379685
88406	Undefined_Atom_Stereo_Count	0
640429	Hydrogen_Bond_Donor_Count	1
475825	Isotope_Atom_Count	0
33791	Tautomer_Count	1
16316	Rotatable_Bond_Count	8
20299950	Molecular_Weight	114.17
12713	Defined_Atom_Stereo_Count	0
8491	Defined_Bond_Stereo_Count	0
10901524	Non-hydrogen_Atom_Count	18
91460	Rotatable_Bond_Count	1
55716	TPSA	90.5
70732	XLogP3-AA	1.3
46206294	Hydrogen_Bond_Acceptor_Count	5
4158	Exact_Mass	233.141578849
21452207	Mono_Isotopic_Weight	96.057514874
57393451	Total_Formal_Charge	0
26035	XLogP3	4.3
118505252	Hydrogen_Bond_Acceptor_Count	2
23282891	Structure_Complexity	298
9954944	Exact_Mass	441.16483347
60561	Rotatable_Bond_Count	11
5469424	Non-hydrogen_Atom_Count	25
5284580	Exact_Mass	968.49808019
1550234	Molecular_Weight	366.4
66536	Hydrogen_Bond_Donor_Count	1
19068741	Rotatable_Bond_Count	1
136873	Defined_Atom_Stereo_Count	0
47824	Hydrogen_Bond_Acceptor_Count	4
146156970	Exact_Mass	1346.574890
332	Covalent_Unit_Count	1
89859387	Defined_Bond_Stereo_Count	0
12695618	Rotatable_Bond_Count	0
36660	Molecular_Weight	234.25
134695356	XLogP3-AA	4.8
11575878	Covalent_Unit_Count	1
123630	Isotope_Atom_Count	0
15825450	Mono_Isotopic_Weight	98.073164938
3084049	Exact_Mass	799.22325494
85588	Undefined_Bond_Stereo_Count	0
136340880	Molecular_Weight	108.10
4298216	Non-hydrogen_Atom_Count	6
9804302	Exact_Mass	460.13379358
60196270	Undefined_Atom_Stereo_Count	0
650625	Mono_Isotopic_Weight	268.06480570
12218316	Molecular_Weight	287.4
7752	Rotatable_Bond_Count	2
58247618	Covalent_Unit_Count	1
17856473	Defined_Atom_Stereo_Count	0
12754038	Defined_Bond_Stereo_Count	0
67497	Exact_Mass	184.03467143
54315893	Defined_Atom_Stereo_Count	0
10558611	Total_Formal_Charge	0
20194	Structure_Complexity	494
101625661	Total_Formal_Charge	0
593	Covalent_Unit_Count	1
153807932	Undefined_Bond_Stereo_Count	0
6603740	Structure_Complexity	401
134825353	Structure_Complexity	795
6673	TPSA	25.1
69332648	Hydrogen_Bond_Donor_Count	2
59154494	Hydrogen_Bond_Acceptor_Count	2
6481	Non-hydrogen_Atom_Count	18
12578544	Exact_Mass	117.078978594
147193	Molecular_Weight	199.04
5256228	Undefined_Bond_Stereo_Count	0
73233	Defined_Bond_Stereo_Count	0
694981	Tautomer_Count	2
5284572	Defined_Atom_Stereo_Count	0
134754219	Mono_Isotopic_Weight	785.35235945
643833	Exact_Mass	95.9533555
12589	Non-hydrogen_Atom_Count	9
61124202	Mono_Isotopic_Weight	113.058911855
538433	Undefined_Atom_Stereo_Count	0
16069302	Mono_Isotopic_Weight	439.20082506
91469	Defined_Bond_Stereo_Count	0
445318	Undefined_Bond_Stereo_Count	0
62670550	Defined_Atom_Stereo_Count	0
15983549	Exact_Mass	454.22162007
6441264	Structure_Complexity	1870
454647	Defined_Bond_Stereo_Count	0
101316977	Undefined_Bond_Stereo_Count	0
15720326	Non-hydrogen_Atom_Count	12
336423	Exact_Mass	386.21066147
547031	Hydrogen_Bond_Donor_Count	2
6947362	Total_Formal_Charge	0
1549622	Rotatable_Bond_Count	4
30049	Isotope_Atom_Count	0
59177	Isotope_Atom_Count	0
67782238	XLogP3-AA	0.7
131872	Hydrogen_Bond_Donor_Count	1
65834	Non-hydrogen_Atom_Count	22
20530042	Isotope_Atom_Count	0
18755630	XLogP3-AA	1.1
2955894	Molecular_Weight	407.5
10271170	Total_Formal_Charge	0
4649	Exact_Mass	153.042593085
129664338	Hydrogen_Bond_Donor_Count	1
530422	Non-hydrogen_Atom_Count	10
610169	Molecular_Weight	206.47
10393	Isotope_Atom_Count	0
3462	Defined_Atom_Stereo_Count	0
69588	TPSA	28.7
67214	Structure_Complexity	1210
519	Exact_Mass	258.01406892
1731	TPSA	40.5
153884978	Mono_Isotopic_Weight	113.058911855
3038	Structure_Complexity	452
54581	TPSA	106
118797455	Undefined_Atom_Stereo_Count	6
22859	Non-hydrogen_Atom_Count	32
66535	Total_Formal_Charge	0
68689	Defined_Atom_Stereo_Count	0
5485201	Rotatable_Bond_Count	2
5270576	Undefined_Bond_Stereo_Count	0
7423	XLogP3	1.4
23667628	Hydrogen_Bond_Donor_Count	1
479307	TPSA	52
13578	Defined_Atom_Stereo_Count	0
439215	Undefined_Atom_Stereo_Count	1
83569	Covalent_Unit_Count	1
13707473	Covalent_Unit_Count	1
562683	Structure_Complexity	386
12962854	Hydrogen_Bond_Donor_Count	0
54144657	Undefined_Bond_Stereo_Count	1
14067296	Exact_Mass	94.041864811
54173442	Isotope_Atom_Count	0
123600	Tautomer_Count	5
2723730	Exact_Mass	155.0349209
1858	Total_Formal_Charge	0
2308	Covalent_Unit_Count	1
71451390	Rotatable_Bond_Count	8
13568	XLogP3-AA	2.3
5365543	Mono_Isotopic_Weight	120.093900383
154515685	Covalent_Unit_Count	1
53737754	Exact_Mass	118.02660867
6451257	XLogP3	0.9
38771	Structure_Complexity	175
267493	Covalent_Unit_Count	1
10058	Total_Formal_Charge	0
12874682	Defined_Bond_Stereo_Count	0
7405	Non-hydrogen_Atom_Count	9
107280	Defined_Atom_Stereo_Count	0
67795854	Rotatable_Bond_Count	4
6540277	Undefined_Bond_Stereo_Count	0
126011	Isotope_Atom_Count	0
70692775	Isotope_Atom_Count	0
54023646	Undefined_Atom_Stereo_Count	1
46244454	XLogP3-AA	2.1
55288089	Structure_Complexity	118
67534	Undefined_Bond_Stereo_Count	0
54949	Defined_Bond_Stereo_Count	0
95209	Exact_Mass	181.05613515
444	Non-hydrogen_Atom_Count	16
30976	Hydrogen_Bond_Acceptor_Count	5
23957	Mono_Isotopic_Weight	96.90636
18386435	Hydrogen_Bond_Acceptor_Count	4
8264	Mono_Isotopic_Weight	154.06712817
11973	Isotope_Atom_Count	0
11007841	Defined_Atom_Stereo_Count	0
3385	Mono_Isotopic_Weight	130.01785550
74950937	Covalent_Unit_Count	1
121304016	TPSA	204
680036	Covalent_Unit_Count	1
59742	Structure_Complexity	527
44230575	XLogP3-AA	1.8
28566812	Defined_Bond_Stereo_Count	0
101926676	Covalent_Unit_Count	1
89389546	Covalent_Unit_Count	1
44404643	Total_Formal_Charge	0
616630	Hydrogen_Bond_Donor_Count	2
509554	Non-hydrogen_Atom_Count	27
10034991	Exact_Mass	168.078644241
688451	Isotope_Atom_Count	0
74031	Non-hydrogen_Atom_Count	12
4043	Structure_Complexity	650
2581	Tautomer_Count	1
40308	Non-hydrogen_Atom_Count	10
5282349	Non-hydrogen_Atom_Count	30
85854	Structure_Complexity	37.1
117683867	Defined_Bond_Stereo_Count	0
9904502	Total_Formal_Charge	0
129631047	Mono_Isotopic_Weight	657.83124
5723	XLogP3-AA	2.2
5362487	Rotatable_Bond_Count	0
10096344	Structure_Complexity	885
454216	Structure_Complexity	1350
67128499	Total_Formal_Charge	0
23347	Undefined_Bond_Stereo_Count	0
3539116	Tautomer_Count	1
31492	Structure_Complexity	120
57504473	Undefined_Atom_Stereo_Count	1
131709156	Covalent_Unit_Count	5
9918460	Exact_Mass	747.47822867
2404	Undefined_Atom_Stereo_Count	1
222284	Structure_Complexity	634
50878556	Covalent_Unit_Count	2
36816	Undefined_Bond_Stereo_Count	0
133914	Rotatable_Bond_Count	27
44144429	Structure_Complexity	494
102483	Tautomer_Count	1
82650946	Undefined_Atom_Stereo_Count	0
253762	Molecular_Weight	100.12
95162416	Hydrogen_Bond_Donor_Count	8
88534608	Hydrogen_Bond_Donor_Count	0
20441	Covalent_Unit_Count	1
14236	Non-hydrogen_Atom_Count	8
11349789	Undefined_Atom_Stereo_Count	0
81512	Non-hydrogen_Atom_Count	7
5895404	Undefined_Atom_Stereo_Count	0
225711	Mono_Isotopic_Weight	102.068079557
54341391	Exact_Mass	94.078250319
87323	Defined_Bond_Stereo_Count	0
5464263	Undefined_Bond_Stereo_Count	0
7490	Rotatable_Bond_Count	2
108051	Tautomer_Count	6
101888374	Exact_Mass	352.0502366
23277878	Defined_Bond_Stereo_Count	0
23666105	Non-hydrogen_Atom_Count	40
109016492	Isotope_Atom_Count	0
17734	Covalent_Unit_Count	1
28166	Hydrogen_Bond_Donor_Count	0
10250	Hydrogen_Bond_Donor_Count	2
22041940	Defined_Atom_Stereo_Count	0
21133868	Hydrogen_Bond_Donor_Count	0
27918	Mono_Isotopic_Weight	274.08711472
657237	Non-hydrogen_Atom_Count	20
154262592	Rotatable_Bond_Count	1
687906	Undefined_Bond_Stereo_Count	0
12508258	Covalent_Unit_Count	1
60209624	Hydrogen_Bond_Donor_Count	2
2167092	Covalent_Unit_Count	1
91996283	Hydrogen_Bond_Acceptor_Count	4
12278548	Defined_Atom_Stereo_Count	0
72508	Non-hydrogen_Atom_Count	15
23434540	Structure_Complexity	76.8
44560806	Molecular_Weight	348.4
91608418	Non-hydrogen_Atom_Count	8
6432709	Covalent_Unit_Count	1
521951	Structure_Complexity	387
138358	Hydrogen_Bond_Acceptor_Count	0
71455485	Molecular_Weight	498.0
11583971	Undefined_Bond_Stereo_Count	0
83270	Exact_Mass	191.094628657
193270	Rotatable_Bond_Count	4
157787142	Defined_Bond_Stereo_Count	0
64953	Hydrogen_Bond_Acceptor_Count	9
43994	Mono_Isotopic_Weight	242.0822054
2317	Hydrogen_Bond_Donor_Count	4
261166	XLogP3-AA	3.8
49607	Non-hydrogen_Atom_Count	15
7582	Undefined_Bond_Stereo_Count	0
53807546	Undefined_Atom_Stereo_Count	0
71608540	Defined_Atom_Stereo_Count	2
51081	Defined_Atom_Stereo_Count	0
101649230	Non-hydrogen_Atom_Count	19
85805628	Isotope_Atom_Count	0
154081039	Hydrogen_Bond_Donor_Count	0
637997	Defined_Atom_Stereo_Count	0
161729	Undefined_Bond_Stereo_Count	0
59296041	Undefined_Atom_Stereo_Count	0
13853	Mono_Isotopic_Weight	86.073164938
138107840	Structure_Complexity	817
2167	Isotope_Atom_Count	0
71464652	Hydrogen_Bond_Donor_Count	2
62097	Structure_Complexity	192
24757913	Mono_Isotopic_Weight	622.23173397
23165199	Undefined_Bond_Stereo_Count	0
18424759	Undefined_Atom_Stereo_Count	0
86590530	Molecular_Weight	25.006
7099	Hydrogen_Bond_Donor_Count	2
62140646	Non-hydrogen_Atom_Count	8
188987	Isotope_Atom_Count	0
12871715	XLogP3-AA	0.8
2724564	Defined_Bond_Stereo_Count	0
60150185	Isotope_Atom_Count	0
71451930	Structure_Complexity	953
23581869	Total_Formal_Charge	0
131170	Molecular_Weight	216.62
13391464	Exact_Mass	229.06987046
57190813	Isotope_Atom_Count	0
758641	Isotope_Atom_Count	0
129627537	Structure_Complexity	3150
10201696	Rotatable_Bond_Count	7
454216	Undefined_Bond_Stereo_Count	0
11937	Tautomer_Count	1
9746	TPSA	12.9
3080714	Undefined_Atom_Stereo_Count	0
6918286	Total_Formal_Charge	1
135071	Undefined_Bond_Stereo_Count	0
6093219	Rotatable_Bond_Count	9
94753	Mono_Isotopic_Weight	149.07014524
5281116	Undefined_Atom_Stereo_Count	0
2724159	Exact_Mass	150.104465066
3074827	Tautomer_Count	2
8225	Exact_Mass	384.23005950
102059894	Defined_Bond_Stereo_Count	1
1596	Covalent_Unit_Count	1
80934	Total_Formal_Charge	0
138037	Covalent_Unit_Count	1
199677	Non-hydrogen_Atom_Count	8
11126188	Isotope_Atom_Count	0
25195253	Mono_Isotopic_Weight	342.0746753
5464200	Rotatable_Bond_Count	9
693315	Undefined_Bond_Stereo_Count	1
13721252	Hydrogen_Bond_Acceptor_Count	3
82650946	Defined_Atom_Stereo_Count	0
44119664	Total_Formal_Charge	0
44576048	Undefined_Atom_Stereo_Count	0
57515953	Hydrogen_Bond_Acceptor_Count	7
4991	TPSA	33.4
91026652	Isotope_Atom_Count	0
49714	Tautomer_Count	1
21115436	Hydrogen_Bond_Acceptor_Count	4
62514	Defined_Atom_Stereo_Count	0
24965990	Structure_Complexity	664
99646539	Mono_Isotopic_Weight	284.16237386
47660	Non-hydrogen_Atom_Count	24
11101	Isotope_Atom_Count	0
470202	Defined_Atom_Stereo_Count	0
22239085	Exact_Mass	372.16944839
17841212	Exact_Mass	97.027611728
8882	Structure_Complexity	38
20255128	Undefined_Bond_Stereo_Count	0
89423	Exact_Mass	124.052429494
12591596	Undefined_Atom_Stereo_Count	0
5367805	Exact_Mass	100.063662883
6350580	Hydrogen_Bond_Acceptor_Count	3
56659	Total_Formal_Charge	0
88239551	Undefined_Bond_Stereo_Count	0
51358375	XLogP3-AA	4
5717801	Defined_Atom_Stereo_Count	0
1967	TPSA	54.4
13856554	XLogP3-AA	0.8
39859	Rotatable_Bond_Count	10
439202	Hydrogen_Bond_Donor_Count	4
54265	Covalent_Unit_Count	1
67718	Isotope_Atom_Count	0
2779124	Exact_Mass	113.084063974
30175	Isotope_Atom_Count	0
92877	Mono_Isotopic_Weight	276.245315640
131699179	Non-hydrogen_Atom_Count	12
75548	Isotope_Atom_Count	0
9892071	Molecular_Weight	497.6
4369084	Structure_Complexity	477
642325	Defined_Atom_Stereo_Count	0
135417349	Hydrogen_Bond_Acceptor_Count	4
23677927	TPSA	65.6
10192564	Defined_Atom_Stereo_Count	0
16212480	Rotatable_Bond_Count	18
20312802	Isotope_Atom_Count	0
12754038	Structure_Complexity	111
118218024	Undefined_Bond_Stereo_Count	0
26908	Structure_Complexity	361
62388	Hydrogen_Bond_Donor_Count	0
657	Hydrogen_Bond_Donor_Count	7
12328	Hydrogen_Bond_Donor_Count	1
736351	Defined_Bond_Stereo_Count	0
65111	Total_Formal_Charge	0
9472	Undefined_Bond_Stereo_Count	0
439255	Covalent_Unit_Count	1
3340552	Undefined_Atom_Stereo_Count	0
9973799	XLogP3-AA	4.6
300	Defined_Atom_Stereo_Count	0
71415	Tautomer_Count	3
12653319	Exact_Mass	117.078978594
6780	Total_Formal_Charge	0
15942715	Hydrogen_Bond_Donor_Count	1
440927	Defined_Bond_Stereo_Count	0
8113	Rotatable_Bond_Count	4
60196441	Mono_Isotopic_Weight	613.21753896
29728	Mono_Isotopic_Weight	269.88910
8001	Hydrogen_Bond_Acceptor_Count	0
445226	Hydrogen_Bond_Acceptor_Count	6
106	Structure_Complexity	186
57406720	Undefined_Atom_Stereo_Count	1
49342	Exact_Mass	243.09291458
127054492	Defined_Bond_Stereo_Count	0
18596	TPSA	40.1
10267079	Undefined_Bond_Stereo_Count	0
17902	Defined_Atom_Stereo_Count	0
21717212	Rotatable_Bond_Count	6
176171	Undefined_Atom_Stereo_Count	2
43833377	Rotatable_Bond_Count	0
6918107	Defined_Bond_Stereo_Count	0
85145	Defined_Atom_Stereo_Count	0
9866250	Isotope_Atom_Count	0
51	Covalent_Unit_Count	1
50112	Molecular_Weight	1473.6
69262172	TPSA	53
73707684	Undefined_Atom_Stereo_Count	1
71651624	Covalent_Unit_Count	1
17913	Defined_Bond_Stereo_Count	0
53678373	Covalent_Unit_Count	1
3076	Undefined_Atom_Stereo_Count	2
139637653	Exact_Mass	101.047678466
60573	Tautomer_Count	6
87110	Rotatable_Bond_Count	0
149396638	Hydrogen_Bond_Donor_Count	0
23675339	Undefined_Bond_Stereo_Count	0
63855	Undefined_Atom_Stereo_Count	0
643786	Rotatable_Bond_Count	1
44176380	Covalent_Unit_Count	3
23409	Undefined_Bond_Stereo_Count	0
453077	Mono_Isotopic_Weight	220.100048391
11420409	Mono_Isotopic_Weight	488.13498116
445258	Structure_Complexity	60.4
11935	Isotope_Atom_Count	0
124226574	Undefined_Bond_Stereo_Count	0
16224456	Exact_Mass	609.26612791
16733194	Hydrogen_Bond_Donor_Count	2
9794712	Undefined_Bond_Stereo_Count	0
221523	TPSA	9.2
534241	Molecular_Weight	96.09
65624	Isotope_Atom_Count	0
14786268	Undefined_Atom_Stereo_Count	0
44338587	Covalent_Unit_Count	1
6914282	Hydrogen_Bond_Donor_Count	3
92546	XLogP3-AA	1.3
8030	Covalent_Unit_Count	1
5094381	Mono_Isotopic_Weight	112.063662883
148475193	Exact_Mass	101.084063974
82190	Tautomer_Count	1
135565106	Defined_Atom_Stereo_Count	0
546717	Non-hydrogen_Atom_Count	13
5367785	Exact_Mass	236.177630004
21694910	Defined_Bond_Stereo_Count	0
3021	Rotatable_Bond_Count	6
9765	Undefined_Atom_Stereo_Count	0
4111803	Isotope_Atom_Count	0
5280451	Isotope_Atom_Count	0
12757	Isotope_Atom_Count	0
2399	Exact_Mass	327.100776666
14577080	Molecular_Weight	285.8
134689739	Exact_Mass	532.07225596
1365	Mono_Isotopic_Weight	376.08414080
9483	Rotatable_Bond_Count	1
68194	XLogP3	0.5
3265	Mono_Isotopic_Weight	384.23005950
9892539	Structure_Complexity	633
9050	Structure_Complexity	652
107349	XLogP3-AA	2.8
4828	TPSA	57.3
20680013	Non-hydrogen_Atom_Count	8
88402732	Undefined_Bond_Stereo_Count	0
1128	Mono_Isotopic_Weight	104.02958605
443130	TPSA	85.9
25015556	Total_Formal_Charge	0
163853278	XLogP3-AA	0.7
84041	TPSA	41.6
55287417	TPSA	42.2
20431	Undefined_Atom_Stereo_Count	0
6428	Defined_Atom_Stereo_Count	0
42627755	Defined_Atom_Stereo_Count	0
57081543	TPSA	56.9
274412	Undefined_Atom_Stereo_Count	0
165105	TPSA	107
516644	TPSA	30.3
9075	Structure_Complexity	65
28506	Mono_Isotopic_Weight	212.094963011
101925253	XLogP3-AA	8.6
177323	Mono_Isotopic_Weight	628.44647505
39385	Total_Formal_Charge	0
11055399	Tautomer_Count	2
129659218	Undefined_Atom_Stereo_Count	0
144513	Mono_Isotopic_Weight	96.093900383
20055400	Defined_Bond_Stereo_Count	0
97325	Undefined_Bond_Stereo_Count	0
12066842	Non-hydrogen_Atom_Count	7
162344793	Hydrogen_Bond_Acceptor_Count	9
1232	Rotatable_Bond_Count	0
5281764	Molecular_Weight	474.4
10499446	TPSA	72.5
136515	Non-hydrogen_Atom_Count	8
6418719	Isotope_Atom_Count	0
17159	Tautomer_Count	1
25010556	Total_Formal_Charge	1
421	Mono_Isotopic_Weight	208.05917210
104838	Undefined_Atom_Stereo_Count	0
933147	Mono_Isotopic_Weight	293.0138088
9033	Undefined_Bond_Stereo_Count	0
86739056	Mono_Isotopic_Weight	346.0100290
6603320	Total_Formal_Charge	0
3586	Undefined_Atom_Stereo_Count	3
2228691	Molecular_Weight	367.8
141315	Non-hydrogen_Atom_Count	8
67172	Molecular_Weight	410.5
6540277	Undefined_Atom_Stereo_Count	0
25010775	Non-hydrogen_Atom_Count	25
23629960	Hydrogen_Bond_Donor_Count	2
67556876	Exact_Mass	388.29774513
16312	Hydrogen_Bond_Donor_Count	0
9889366	Molecular_Weight	438.6
133568304	XLogP3-AA	6.4
118596336	Non-hydrogen_Atom_Count	37
12564	Hydrogen_Bond_Acceptor_Count	0
15148131	Covalent_Unit_Count	1
17916	Hydrogen_Bond_Donor_Count	1
16117309	Isotope_Atom_Count	0
88898	Defined_Bond_Stereo_Count	0
66636	Total_Formal_Charge	0
2789	Hydrogen_Bond_Acceptor_Count	2
11051613	Rotatable_Bond_Count	2
151896	Covalent_Unit_Count	2
3855171	XLogP3	0.4
96490	Defined_Atom_Stereo_Count	0
122844	Hydrogen_Bond_Donor_Count	1
134158431	Exact_Mass	245.16270821
99295	Tautomer_Count	1
9800555	TPSA	97.1
98493	Defined_Atom_Stereo_Count	0
12933432	TPSA	50.8
3465817	Tautomer_Count	1
8499	Tautomer_Count	1
79783	Structure_Complexity	54.3
92043424	Undefined_Atom_Stereo_Count	21
130027214	Total_Formal_Charge	0
25058167	Hydrogen_Bond_Donor_Count	1
1712094	Undefined_Bond_Stereo_Count	0
96380	Isotope_Atom_Count	0
8168	Structure_Complexity	110
18430531	Structure_Complexity	77.7
13283	Undefined_Bond_Stereo_Count	0
57391458	Undefined_Bond_Stereo_Count	0
12721	Undefined_Atom_Stereo_Count	0
70003	TPSA	17.1
103786	Defined_Atom_Stereo_Count	0
456557	Structure_Complexity	871
6175	Defined_Atom_Stereo_Count	4
94972	Rotatable_Bond_Count	3
4151	XLogP3	1.8
6439276	Exact_Mass	546.22134529
18692	TPSA	40.5
5343	Non-hydrogen_Atom_Count	19
129317062	Defined_Atom_Stereo_Count	1
8681	Rotatable_Bond_Count	4
46437	Hydrogen_Bond_Acceptor_Count	1
40893	Hydrogen_Bond_Donor_Count	0
7106	Undefined_Atom_Stereo_Count	0
519418	Hydrogen_Bond_Acceptor_Count	1
14520	Total_Formal_Charge	0
21675743	Exact_Mass	100.100048391
5064267	Covalent_Unit_Count	1
139087380	Undefined_Bond_Stereo_Count	0
98051220	Molecular_Weight	364.9
161664	Mono_Isotopic_Weight	439.36615904
4954	Undefined_Bond_Stereo_Count	1
53631439	Molecular_Weight	113.11
11969465	Defined_Bond_Stereo_Count	0
18183696	Defined_Bond_Stereo_Count	0
22015260	Rotatable_Bond_Count	2
129710649	Molecular_Weight	130.09
54525833	Undefined_Atom_Stereo_Count	2
87321867	Rotatable_Bond_Count	1
90272	Non-hydrogen_Atom_Count	18
118010650	Undefined_Atom_Stereo_Count	0
24182786	Non-hydrogen_Atom_Count	23
138378	Total_Formal_Charge	0
49856296	Hydrogen_Bond_Donor_Count	2
466	Non-hydrogen_Atom_Count	16
3198	Non-hydrogen_Atom_Count	24
86614862	Non-hydrogen_Atom_Count	21
81097	Undefined_Bond_Stereo_Count	0
95362	Tautomer_Count	1
89178	Defined_Bond_Stereo_Count	0
12695798	TPSA	3
7997	Total_Formal_Charge	0
342378	Covalent_Unit_Count	1
96770	Molecular_Weight	236.22
9892815	TPSA	123
155971294	Covalent_Unit_Count	1
136219231	XLogP3-AA	5
11612	Total_Formal_Charge	0
112214	Molecular_Weight	114.10
122023	Molecular_Weight	360.5
46891563	Covalent_Unit_Count	1
23680530	Tautomer_Count	6
5506	Total_Formal_Charge	0
33547	Undefined_Bond_Stereo_Count	0
170361	Non-hydrogen_Atom_Count	16
14717865	Undefined_Bond_Stereo_Count	0
71245288	Molecular_Weight	445.5
31388	Isotope_Atom_Count	0
260859	Non-hydrogen_Atom_Count	25
54316	Tautomer_Count	1
12673086	Defined_Atom_Stereo_Count	0
135421876	Defined_Bond_Stereo_Count	0
57031137	Molecular_Weight	112.17
10815	Isotope_Atom_Count	0
46485	Molecular_Weight	377.4
91528	Tautomer_Count	10
11583971	Undefined_Atom_Stereo_Count	0
177955	Hydrogen_Bond_Acceptor_Count	4
6540277	Defined_Atom_Stereo_Count	0
137073	Covalent_Unit_Count	1
12309466	Hydrogen_Bond_Donor_Count	0
75151	Structure_Complexity	29
3878721	XLogP3-AA	1.9
20787	Tautomer_Count	2
16213640	Defined_Bond_Stereo_Count	0
36005	Undefined_Bond_Stereo_Count	0
45095	Exact_Mass	333.0534634
72560	Defined_Bond_Stereo_Count	0
20313	Isotope_Atom_Count	0
60153262	Mono_Isotopic_Weight	406.07042274
6918509	Undefined_Bond_Stereo_Count	0
7000	XLogP3	1.2
21028424	Defined_Bond_Stereo_Count	0
20429	Undefined_Atom_Stereo_Count	1
270010	Undefined_Atom_Stereo_Count	0
7288	Mono_Isotopic_Weight	86.073164938
60575	Hydrogen_Bond_Donor_Count	0
249	Total_Formal_Charge	1
2794133	Covalent_Unit_Count	1
60148207	Mono_Isotopic_Weight	734.2492203
71226662	Tautomer_Count	6
75614	Structure_Complexity	432
5280794	Rotatable_Bond_Count	5
140048	Exact_Mass	120.02450067
62425	Hydrogen_Bond_Donor_Count	0
71571522	Defined_Bond_Stereo_Count	0
96359	Tautomer_Count	1
437721	Structure_Complexity	91.7
29976	Total_Formal_Charge	0
60203	Non-hydrogen_Atom_Count	16
21643653	Defined_Bond_Stereo_Count	0
68929	Exact_Mass	288.17254462
2437245	Isotope_Atom_Count	0
30318	Undefined_Bond_Stereo_Count	0
31593	Total_Formal_Charge	0
909750	Rotatable_Bond_Count	4
53668108	Molecular_Weight	112.13
5087	Defined_Bond_Stereo_Count	0
94020	Total_Formal_Charge	0
77922	Exact_Mass	117.078978594
75090	Undefined_Atom_Stereo_Count	0
70681	Mono_Isotopic_Weight	277.2536278
23689390	TPSA	81.6
23729877	Defined_Bond_Stereo_Count	0
8974	Isotope_Atom_Count	0
67488	Non-hydrogen_Atom_Count	10
701186	Isotope_Atom_Count	0
23335962	Defined_Bond_Stereo_Count	0
102513886	TPSA	50
85802	Molecular_Weight	749.6
74826	Mono_Isotopic_Weight	183.0581549
12905096	Covalent_Unit_Count	1
68647	Hydrogen_Bond_Acceptor_Count	2
3579812	Structure_Complexity	1140
442072	Undefined_Bond_Stereo_Count	0
21863610	Defined_Atom_Stereo_Count	0
68610	Hydrogen_Bond_Donor_Count	2
15805370	Undefined_Bond_Stereo_Count	0
24611	Hydrogen_Bond_Donor_Count	0
66525	XLogP3-AA	5.9
3736	Non-hydrogen_Atom_Count	32
125110	Total_Formal_Charge	0
11930	XLogP3-AA	6.8
693241	Defined_Bond_Stereo_Count	0
157882	Isotope_Atom_Count	0
23663979	Defined_Atom_Stereo_Count	4
2779024	Defined_Bond_Stereo_Count	0
59390227	Isotope_Atom_Count	0
564666	Total_Formal_Charge	0
69371	Rotatable_Bond_Count	0
12309520	Non-hydrogen_Atom_Count	24
44338510	Defined_Bond_Stereo_Count	0
21863274	Hydrogen_Bond_Acceptor_Count	5
3047810	Non-hydrogen_Atom_Count	31
34481	Structure_Complexity	426
150736	Molecular_Weight	204.18
999	Hydrogen_Bond_Donor_Count	1
447994	Undefined_Atom_Stereo_Count	0
132846	TPSA	21.3
12658877	Structure_Complexity	39.1
57345537	XLogP3-AA	1.6
39042	Structure_Complexity	452
55276371	Defined_Atom_Stereo_Count	0
131238	Covalent_Unit_Count	1
186044	Rotatable_Bond_Count	1
26398	Total_Formal_Charge	0
6297	Undefined_Atom_Stereo_Count	0
107045	Hydrogen_Bond_Acceptor_Count	4
24180695	Molecular_Weight	209.24
64247	Rotatable_Bond_Count	3
10020475	Total_Formal_Charge	0
129856110	Defined_Atom_Stereo_Count	0
156618034	Molecular_Weight	342.30
409642	Mono_Isotopic_Weight	198.02114662
6266	Covalent_Unit_Count	1
6506	Defined_Atom_Stereo_Count	0
10154060	TPSA	43.4
301417	Molecular_Weight	110.11
107	Undefined_Bond_Stereo_Count	0
60196374	Non-hydrogen_Atom_Count	10
61670	Defined_Atom_Stereo_Count	0
14920524	XLogP3-AA	0.5
5282367	Covalent_Unit_Count	1
9893228	Defined_Atom_Stereo_Count	0
69215	TPSA	52.6
98210	Total_Formal_Charge	0
16138	Tautomer_Count	1
441371	Structure_Complexity	1550
441415	Undefined_Bond_Stereo_Count	0
12835056	Rotatable_Bond_Count	4
121972	Mono_Isotopic_Weight	340.06478
123485747	Defined_Bond_Stereo_Count	0
14846	Covalent_Unit_Count	1
736	Defined_Atom_Stereo_Count	0
57131009	Defined_Atom_Stereo_Count	0
8562	Non-hydrogen_Atom_Count	19
1153	TPSA	83.6
653473	Total_Formal_Charge	0
107670	Isotope_Atom_Count	0
760006	Total_Formal_Charge	0
817623	Defined_Bond_Stereo_Count	0
4839	Defined_Bond_Stereo_Count	0
788781	Hydrogen_Bond_Donor_Count	0
12105	Exact_Mass	120.057514874
84063996	Structure_Complexity	68.9
147277331	Defined_Bond_Stereo_Count	0
11116020	Exact_Mass	113.047678466
656612	Hydrogen_Bond_Donor_Count	0
122372096	Undefined_Bond_Stereo_Count	0
14066	Hydrogen_Bond_Acceptor_Count	2
668081	Non-hydrogen_Atom_Count	24
71080	Hydrogen_Bond_Donor_Count	2
1771194	Isotope_Atom_Count	0
519186	Tautomer_Count	1
68289	Rotatable_Bond_Count	0
55	Total_Formal_Charge	0
2072949	Defined_Bond_Stereo_Count	0
13786729	Exact_Mass	111.068413911
443943	Undefined_Atom_Stereo_Count	0
159296	Isotope_Atom_Count	0
535857	Mono_Isotopic_Weight	110.048012819
136224833	Non-hydrogen_Atom_Count	69
101544	Hydrogen_Bond_Donor_Count	5
40185	Structure_Complexity	77.4
151062	Tautomer_Count	1
4205687	Defined_Atom_Stereo_Count	0
11247	Mono_Isotopic_Weight	263.98773
8262	Non-hydrogen_Atom_Count	13
156212	Covalent_Unit_Count	1
19707	Total_Formal_Charge	0
7085	Defined_Atom_Stereo_Count	0
694857	Total_Formal_Charge	0
54708862	Undefined_Bond_Stereo_Count	0
21872909	TPSA	173
22644568	Undefined_Atom_Stereo_Count	0
139338	Defined_Bond_Stereo_Count	0
6030	Undefined_Atom_Stereo_Count	0
7473	Undefined_Bond_Stereo_Count	0
25162926	Rotatable_Bond_Count	6
66249	Isotope_Atom_Count	0
69429	TPSA	59.8
1486	Undefined_Bond_Stereo_Count	0
21492261	Hydrogen_Bond_Acceptor_Count	1
6433402	Isotope_Atom_Count	0
7360	Hydrogen_Bond_Donor_Count	1
72221005	Molecular_Weight	95.10
3086677	Undefined_Bond_Stereo_Count	0
54511620	Exact_Mass	98.073164938
3664	Hydrogen_Bond_Acceptor_Count	10
7888	Molecular_Weight	172.26
167945	Exact_Mass	218.10284761
19991465	TPSA	67.5
165588672	Total_Formal_Charge	0
694743	Structure_Complexity	368
72693	Total_Formal_Charge	0
445070	Hydrogen_Bond_Acceptor_Count	1
12009213	Hydrogen_Bond_Donor_Count	0
90297	Defined_Atom_Stereo_Count	0
5311243	Hydrogen_Bond_Donor_Count	3
14440271	Defined_Atom_Stereo_Count	0
13979010	Undefined_Bond_Stereo_Count	0
65682	Total_Formal_Charge	0
22753620	Exact_Mass	108.068748264
6918543	Undefined_Atom_Stereo_Count	0
11883891	Non-hydrogen_Atom_Count	13
121207426	Defined_Bond_Stereo_Count	0
6857497	Molecular_Weight	227.34
53904133	Hydrogen_Bond_Donor_Count	1
15034633	Covalent_Unit_Count	1
69310	Mono_Isotopic_Weight	554.45463969
18555	Tautomer_Count	1
44310065	Hydrogen_Bond_Donor_Count	1
66646	Molecular_Weight	171.58
23642	Exact_Mass	140.02958605
197127	Total_Formal_Charge	0
8573	Defined_Bond_Stereo_Count	0
23083536	Mono_Isotopic_Weight	110.109550447
82400	Hydrogen_Bond_Acceptor_Count	12
5005498	Defined_Bond_Stereo_Count	0
23063800	XLogP3-AA	0.2
33294	Exact_Mass	288.09490270
13021	Hydrogen_Bond_Donor_Count	1
160419	TPSA	80.3
10660	Mono_Isotopic_Weight	469.1880675
25273215	Total_Formal_Charge	1
23167	Tautomer_Count	1
21430458	Mono_Isotopic_Weight	117.078978594
29936	TPSA	0
133121364	Rotatable_Bond_Count	1
11527774	Covalent_Unit_Count	1
16775060	TPSA	12
22450938	Non-hydrogen_Atom_Count	12
6451151	Total_Formal_Charge	0
123470675	Hydrogen_Bond_Donor_Count	0
7915	Rotatable_Bond_Count	2
25195346	Non-hydrogen_Atom_Count	35
67591	Structure_Complexity	204
11397	Covalent_Unit_Count	1
8894	Non-hydrogen_Atom_Count	6
4913256	Rotatable_Bond_Count	2
2723699	Tautomer_Count	2
13034936	Hydrogen_Bond_Donor_Count	1
1488	Covalent_Unit_Count	1
57394330	Mono_Isotopic_Weight	442.29439109
479503	Hydrogen_Bond_Donor_Count	3
15937952	Non-hydrogen_Atom_Count	7
20769	Hydrogen_Bond_Donor_Count	0
68783	Defined_Atom_Stereo_Count	6
83899	Isotope_Atom_Count	0
48758	Hydrogen_Bond_Acceptor_Count	3
17836	XLogP3	3
67691	Undefined_Atom_Stereo_Count	0
31982	Undefined_Atom_Stereo_Count	0
2529	Covalent_Unit_Count	3
9936746	Molecular_Weight	492.0
40240	Defined_Atom_Stereo_Count	2
136255	XLogP3-AA	3
13925935	Isotope_Atom_Count	0
234839	Undefined_Bond_Stereo_Count	0
35625	Total_Formal_Charge	0
25023855	Undefined_Bond_Stereo_Count	0
146131	Molecular_Weight	180.16
711	TPSA	201
141429324	XLogP3-AA	0.5
13150	Tautomer_Count	1
7808	Tautomer_Count	2
118	TPSA	43.1
5281411	Rotatable_Bond_Count	2
9883149	Defined_Bond_Stereo_Count	0
102003559	Exact_Mass	1438.56054879
77580	Hydrogen_Bond_Donor_Count	1
22262513	Mono_Isotopic_Weight	99.068413911
49867832	Undefined_Bond_Stereo_Count	0
20587740	XLogP3-AA	1.6
158032	XLogP3	4.4
44144	Structure_Complexity	619
37243	Hydrogen_Bond_Acceptor_Count	1
148140	Exact_Mass	161.084063974
3725082	Non-hydrogen_Atom_Count	15
53699081	Total_Formal_Charge	0
91824766	Isotope_Atom_Count	0
131954609	Hydrogen_Bond_Donor_Count	3
582408	TPSA	46.2
5376733	Rotatable_Bond_Count	4
21490213	Covalent_Unit_Count	1
13364	Undefined_Atom_Stereo_Count	0
954673	Structure_Complexity	360
565900	Tautomer_Count	3
23114997	XLogP3-AA	1.3
518924	Isotope_Atom_Count	0
12025	Undefined_Atom_Stereo_Count	0
59561	XLogP3-AA	2.6
73115	Structure_Complexity	413
23679441	Undefined_Atom_Stereo_Count	0
40466968	TPSA	121
6450816	Mono_Isotopic_Weight	612.2173192
99905	Total_Formal_Charge	0
12835187	Undefined_Bond_Stereo_Count	0
11740218	Exact_Mass	375.1601214
10409908	Undefined_Bond_Stereo_Count	0
25077405	Undefined_Atom_Stereo_Count	0
156156900	Undefined_Bond_Stereo_Count	0
18000118	Molecular_Weight	101.15
72326	Structure_Complexity	786
79484	TPSA	57.5
115234	Hydrogen_Bond_Donor_Count	1
136411580	Hydrogen_Bond_Donor_Count	5
250079	Hydrogen_Bond_Acceptor_Count	6
75412604	Hydrogen_Bond_Acceptor_Count	13
550642	XLogP3-AA	1.1
98458	Total_Formal_Charge	0
440141	Undefined_Bond_Stereo_Count	0
23103323	Isotope_Atom_Count	0
10017019	Exact_Mass	288.00106
26035	Rotatable_Bond_Count	4
688107	Mono_Isotopic_Weight	226.9985354
67499	Undefined_Bond_Stereo_Count	0
8642	Non-hydrogen_Atom_Count	21
4065	Molecular_Weight	235.32
59868328	XLogP3-AA	3.3
58992	Defined_Atom_Stereo_Count	1
3037171	Covalent_Unit_Count	1
22624610	Covalent_Unit_Count	1
634493	TPSA	0
139356	Defined_Atom_Stereo_Count	0
71744109	Total_Formal_Charge	0
6919173	Hydrogen_Bond_Donor_Count	3
73200935	Rotatable_Bond_Count	0
444863	Tautomer_Count	1
16051955	Rotatable_Bond_Count	13
817096	XLogP3-AA	1.3
44630020	Rotatable_Bond_Count	11
25019940	Isotope_Atom_Count	0
64644	Tautomer_Count	5
122679474	Defined_Bond_Stereo_Count	0
53290	XLogP3-AA	4.1
137606	Defined_Atom_Stereo_Count	0
54725318	Undefined_Bond_Stereo_Count	0
977	TPSA	34.1
725300	TPSA	98.8
11689	Exact_Mass	489.88745
43179	TPSA	20.2
11287722	Tautomer_Count	3
76065	Undefined_Bond_Stereo_Count	0
9567831	Hydrogen_Bond_Donor_Count	3
7430	Mono_Isotopic_Weight	205.9649828
9570438	Defined_Atom_Stereo_Count	0
15077409	Defined_Bond_Stereo_Count	0
22967031	Molecular_Weight	115.17
7260	TPSA	26
20132002	Mono_Isotopic_Weight	82.053098200
13776	Defined_Bond_Stereo_Count	0
4004	Isotope_Atom_Count	0
5318386	Hydrogen_Bond_Donor_Count	1
70811	Undefined_Bond_Stereo_Count	0
1775	Non-hydrogen_Atom_Count	19
12214987	TPSA	0
14057	TPSA	37.3
248580	Tautomer_Count	3
9914412	Defined_Atom_Stereo_Count	0
66660558	TPSA	18.5
94784	Defined_Atom_Stereo_Count	0
163418146	Undefined_Bond_Stereo_Count	0
198016	Undefined_Atom_Stereo_Count	3
70580528	Isotope_Atom_Count	0
202225	Defined_Bond_Stereo_Count	0
137642	Covalent_Unit_Count	1
753040	Molecular_Weight	344.16
6051	TPSA	50.7
9885692	Total_Formal_Charge	0
19816872	Molecular_Weight	113.11
141869079	Undefined_Bond_Stereo_Count	0
65063	Total_Formal_Charge	0
71961	Mono_Isotopic_Weight	493.16311939
2724294	Exact_Mass	166.062994177
5288998	Isotope_Atom_Count	0
87183060	Undefined_Atom_Stereo_Count	0
5311454	XLogP3	3.6
101603227	Non-hydrogen_Atom_Count	52
70751	Exact_Mass	141.053826475
62655	Hydrogen_Bond_Acceptor_Count	8
18730058	Covalent_Unit_Count	1
64988	Undefined_Atom_Stereo_Count	0
71873	Undefined_Bond_Stereo_Count	0
5284350	Isotope_Atom_Count	0
71721420	Structure_Complexity	95.3
317053	Hydrogen_Bond_Donor_Count	1
4066245	Structure_Complexity	380
5469318	Undefined_Atom_Stereo_Count	0
18338555	XLogP3-AA	0.2
92301	Exact_Mass	152.120115130
31072	Covalent_Unit_Count	1
6442177	XLogP3-AA	5.9
90956916	Hydrogen_Bond_Donor_Count	0
518760	Total_Formal_Charge	0
15208	Total_Formal_Charge	0
72187528	Defined_Bond_Stereo_Count	0
59259660	Rotatable_Bond_Count	3
10659	Structure_Complexity	243
22022636	Undefined_Atom_Stereo_Count	0
9861452	Total_Formal_Charge	0
102390049	Non-hydrogen_Atom_Count	25
44160137	Non-hydrogen_Atom_Count	27
36005	Undefined_Atom_Stereo_Count	0
102318232	Covalent_Unit_Count	1
11534927	XLogP3-AA	2.5
17480032	Undefined_Atom_Stereo_Count	0
71019	Isotope_Atom_Count	0
11815279	Non-hydrogen_Atom_Count	6
76478	Isotope_Atom_Count	0
243517	Total_Formal_Charge	0
52939724	Hydrogen_Bond_Acceptor_Count	8
135413505	Hydrogen_Bond_Acceptor_Count	8
11825335	Isotope_Atom_Count	0
16687470	Covalent_Unit_Count	1
15728264	Hydrogen_Bond_Acceptor_Count	4
24866733	Total_Formal_Charge	0
5323976	Defined_Atom_Stereo_Count	0
16049024	Rotatable_Bond_Count	13
154081962	Non-hydrogen_Atom_Count	7
86000267	Total_Formal_Charge	0
8417	Defined_Atom_Stereo_Count	0
5462501	TPSA	107
736052	Covalent_Unit_Count	1
6983	Undefined_Atom_Stereo_Count	0
20767638	Covalent_Unit_Count	1
146935695	Defined_Bond_Stereo_Count	0
15820984	Covalent_Unit_Count	3
21675991	Defined_Atom_Stereo_Count	0
11286501	Defined_Bond_Stereo_Count	0
49866023	Non-hydrogen_Atom_Count	26
687604	Hydrogen_Bond_Donor_Count	0
22878123	Structure_Complexity	250
9949802	XLogP3-AA	4.8
1712094	Defined_Atom_Stereo_Count	0
62553	Isotope_Atom_Count	0
90352849	Non-hydrogen_Atom_Count	8
53930639	Exact_Mass	193.121512110
117891679	Structure_Complexity	133
5489029	Structure_Complexity	854
123684474	Hydrogen_Bond_Donor_Count	0
74038637	Exact_Mass	100.100048391
12497562	Mono_Isotopic_Weight	96.057514874
135565884	Undefined_Bond_Stereo_Count	0
135413497	Mono_Isotopic_Weight	264.98507
4033	Undefined_Atom_Stereo_Count	0
23496	Hydrogen_Bond_Donor_Count	0
2593	Defined_Bond_Stereo_Count	0
54352844	Molecular_Weight	98.10
123653016	Undefined_Atom_Stereo_Count	0
143122	Exact_Mass	110.109550447
55284589	Undefined_Bond_Stereo_Count	0
23170707	Undefined_Atom_Stereo_Count	0
101988841	Rotatable_Bond_Count	0
1004	Hydrogen_Bond_Donor_Count	3
96400	XLogP3-AA	2.1
84647649	Defined_Bond_Stereo_Count	0
152821976	Isotope_Atom_Count	0
18636	Molecular_Weight	459.7
72760	Non-hydrogen_Atom_Count	18
25183872	Covalent_Unit_Count	1
696	Undefined_Bond_Stereo_Count	0
24833843	Undefined_Bond_Stereo_Count	0
91017818	Structure_Complexity	75.6
54765302	Exact_Mass	375.15513817
317543	Hydrogen_Bond_Acceptor_Count	1
68901489	Non-hydrogen_Atom_Count	8
163563466	TPSA	3
53960787	Undefined_Atom_Stereo_Count	1
10007	Isotope_Atom_Count	0
68157	TPSA	21.6
158796	Rotatable_Bond_Count	7
245729	Defined_Bond_Stereo_Count	0
1385	Mono_Isotopic_Weight	355.0645069
518605	Non-hydrogen_Atom_Count	10
49853967	Mono_Isotopic_Weight	392.08644947
11565289	Undefined_Atom_Stereo_Count	1
9830	Mono_Isotopic_Weight	223.0011760
16129706	Mono_Isotopic_Weight	1636.71665551
10628031	Defined_Atom_Stereo_Count	8
114359	Isotope_Atom_Count	0
97971	Mono_Isotopic_Weight	233.9850495
1	Hydrogen_Bond_Acceptor_Count	4
15442732	Defined_Atom_Stereo_Count	0
9688	Defined_Bond_Stereo_Count	0
2063927	Covalent_Unit_Count	1
566032	XLogP3-AA	2.4
85217	Rotatable_Bond_Count	2
60853	Mono_Isotopic_Weight	466.0997026
138203	TPSA	30.7
25023854	Isotope_Atom_Count	0
3034336	Structure_Complexity	101
59750537	Defined_Atom_Stereo_Count	0
11676981	XLogP3-AA	1.2
909	Undefined_Atom_Stereo_Count	1
135505	XLogP3-AA	4.4
135436515	Exact_Mass	444.97762691
6435801	Undefined_Bond_Stereo_Count	0
10391	Rotatable_Bond_Count	4
446600	Undefined_Bond_Stereo_Count	0
58618968	Total_Formal_Charge	0
5280804	Rotatable_Bond_Count	4
3080825	Non-hydrogen_Atom_Count	14
69088	Exact_Mass	159.068413911
89053239	Exact_Mass	107.037113783
16907	Rotatable_Bond_Count	2
20111961	TPSA	38.8
137704528	TPSA	195
12762443	Exact_Mass	111.079647300
10962	Defined_Bond_Stereo_Count	0
11639859	Hydrogen_Bond_Donor_Count	1
74600475	Hydrogen_Bond_Donor_Count	3
9829639	Rotatable_Bond_Count	4
7073	Hydrogen_Bond_Donor_Count	2
92043424	Hydrogen_Bond_Acceptor_Count	50
4369080	Mono_Isotopic_Weight	427.01960774
129858308	Mono_Isotopic_Weight	270.07529019
11154496	Defined_Atom_Stereo_Count	0
13195837	Isotope_Atom_Count	0
20711973	Hydrogen_Bond_Acceptor_Count	0
28114	XLogP3-AA	0.1
11852355	Molecular_Weight	376.5
130537941	Rotatable_Bond_Count	4
11111992	Covalent_Unit_Count	1
69676	TPSA	9.2
6713368	Defined_Bond_Stereo_Count	0
656954	Defined_Bond_Stereo_Count	0
54394679	Defined_Bond_Stereo_Count	0
12302681	Hydrogen_Bond_Acceptor_Count	11
53667465	Structure_Complexity	89.9
32315	Defined_Atom_Stereo_Count	0
136433	Defined_Atom_Stereo_Count	0
737804	XLogP3-AA	0.8
91148	Undefined_Atom_Stereo_Count	2
14843143	Isotope_Atom_Count	0
8473	Isotope_Atom_Count	0
30318	Defined_Atom_Stereo_Count	0
15684	Molecular_Weight	177.02
68089	Molecular_Weight	291.3
72200409	Mono_Isotopic_Weight	545.26853321
3109	Tautomer_Count	1
54561127	Structure_Complexity	117
16133850	Structure_Complexity	9740
71593	Molecular_Weight	149.15
67387401	Rotatable_Bond_Count	0
119047	Covalent_Unit_Count	1
76959818	Total_Formal_Charge	1
193956	Tautomer_Count	12
967	Defined_Atom_Stereo_Count	0
54891	Non-hydrogen_Atom_Count	33
23422064	Non-hydrogen_Atom_Count	12
21642	Isotope_Atom_Count	0
14050	TPSA	66.8
31284	Defined_Atom_Stereo_Count	0
75579	Hydrogen_Bond_Donor_Count	0
2723631	Rotatable_Bond_Count	0
19073879	Total_Formal_Charge	0
20486	Defined_Bond_Stereo_Count	0
131852189	Total_Formal_Charge	0
98043898	Isotope_Atom_Count	0
448545	Defined_Bond_Stereo_Count	0
14710	Total_Formal_Charge	0
13245088	Mono_Isotopic_Weight	114.068079557
129822315	Mono_Isotopic_Weight	203.983424
8556	Non-hydrogen_Atom_Count	21
10935	Molecular_Weight	97.07
5478817	Mono_Isotopic_Weight	171.945894
797998	Molecular_Weight	344.7
5359421	Mono_Isotopic_Weight	287.15214353
68783	Isotope_Atom_Count	0
7313	Tautomer_Count	1
13707	Undefined_Bond_Stereo_Count	1
56842207	Defined_Bond_Stereo_Count	0
447405	Defined_Bond_Stereo_Count	0
971	TPSA	74.6
7464	XLogP3	2.2
63786	Undefined_Atom_Stereo_Count	0
16212360	Defined_Bond_Stereo_Count	0
2430	Covalent_Unit_Count	1
129872	Undefined_Bond_Stereo_Count	0
164167667	Undefined_Atom_Stereo_Count	2
43193	Total_Formal_Charge	0
128024	Non-hydrogen_Atom_Count	26
23680396	Hydrogen_Bond_Donor_Count	2
8091	Defined_Atom_Stereo_Count	0
95069	Defined_Atom_Stereo_Count	0
5238474	Defined_Atom_Stereo_Count	0
5281884	Defined_Bond_Stereo_Count	1
524314	TPSA	0
18102	Rotatable_Bond_Count	1
5329055	XLogP3-AA	4.9
25244520	Molecular_Weight	167.03
46911863	Undefined_Atom_Stereo_Count	0
138170	TPSA	0
10329273	Hydrogen_Bond_Donor_Count	1
10429254	Defined_Bond_Stereo_Count	4
54581861	Hydrogen_Bond_Donor_Count	1
37037	Molecular_Weight	395.3
49	Hydrogen_Bond_Acceptor_Count	3
4235600	TPSA	52
5372813	Rotatable_Bond_Count	2
123618	Rotatable_Bond_Count	4
129720364	Hydrogen_Bond_Donor_Count	3
9808235	Hydrogen_Bond_Donor_Count	0
75641	Non-hydrogen_Atom_Count	15
86309268	Hydrogen_Bond_Acceptor_Count	7
5352621	Exact_Mass	277.183049738
444266	Molecular_Weight	116.07
10313457	Total_Formal_Charge	0
130025741	TPSA	17.1
1388	Undefined_Atom_Stereo_Count	0
4019	Defined_Atom_Stereo_Count	0
444234	TPSA	29.9
67901	Rotatable_Bond_Count	0
48670	Undefined_Atom_Stereo_Count	0
705715	Defined_Bond_Stereo_Count	0
444	Tautomer_Count	2
43389	Structure_Complexity	63.5
8068	Tautomer_Count	1
54266316	Non-hydrogen_Atom_Count	6
10857507	Non-hydrogen_Atom_Count	16
12507	Isotope_Atom_Count	0
64049	Undefined_Atom_Stereo_Count	0
5009	Defined_Bond_Stereo_Count	0
70916	Hydrogen_Bond_Donor_Count	0
71459167	Rotatable_Bond_Count	5
23238238	TPSA	168
20749	Isotope_Atom_Count	0
11372270	Structure_Complexity	624
10314851	Hydrogen_Bond_Acceptor_Count	2
5367415	Mono_Isotopic_Weight	80.062600255
16073666	Exact_Mass	650.20959912
70235	Total_Formal_Charge	0
9037	Undefined_Atom_Stereo_Count	0
8142	Tautomer_Count	1
165154846	Structure_Complexity	139
98685	Mono_Isotopic_Weight	240.126263138
529212	Total_Formal_Charge	0
51003592	Covalent_Unit_Count	1
12842600	Rotatable_Bond_Count	2
65575	Hydrogen_Bond_Acceptor_Count	1
49858375	Covalent_Unit_Count	1
32503	XLogP3-AA	3.3
44345281	TPSA	91.4
15567019	Molecular_Weight	114.14
16547	Undefined_Atom_Stereo_Count	0
21253562	Molecular_Weight	96.09
636523	Non-hydrogen_Atom_Count	16
76955	Molecular_Weight	149.15
442	TPSA	182
5702096	Tautomer_Count	8
46878493	XLogP3-AA	0.6
662	Defined_Bond_Stereo_Count	0
5284476	Structure_Complexity	243
139078440	Total_Formal_Charge	0
867	TPSA	74.6
482604	Exact_Mass	284.08575825
23423	Hydrogen_Bond_Acceptor_Count	6
46907953	Non-hydrogen_Atom_Count	10
19392414	TPSA	61.8
3991	Total_Formal_Charge	1
140511	Hydrogen_Bond_Acceptor_Count	1
409453	Hydrogen_Bond_Acceptor_Count	1
146158568	Mono_Isotopic_Weight	527.23263824
5365049	Rotatable_Bond_Count	6
13794994	Structure_Complexity	149
34408	TPSA	94.2
67075765	Undefined_Bond_Stereo_Count	0
79437	Structure_Complexity	414
56759	Isotope_Atom_Count	0
67296	Hydrogen_Bond_Donor_Count	1
35766	TPSA	272
100308	Exact_Mass	338.89287
3036824	Isotope_Atom_Count	0
6	Structure_Complexity	224
44630251	Total_Formal_Charge	0
409548	Total_Formal_Charge	0
24848788	Undefined_Bond_Stereo_Count	0
325086	Mono_Isotopic_Weight	114.031694049
2724248	Mono_Isotopic_Weight	260.08067248
12701395	Undefined_Bond_Stereo_Count	0
21869002	Exact_Mass	118.062994177
24759089	Exact_Mass	432.17975526
11419598	Non-hydrogen_Atom_Count	31
64980	XLogP3-AA	6.2
441244	Mono_Isotopic_Weight	355.94971
69498345	Defined_Bond_Stereo_Count	0
62876	Mono_Isotopic_Weight	222.161979940
436497	Hydrogen_Bond_Acceptor_Count	3
10101	Defined_Atom_Stereo_Count	0
22065216	Defined_Atom_Stereo_Count	0
5311341	Structure_Complexity	788
43859	Mono_Isotopic_Weight	390.0789499
208924	Mono_Isotopic_Weight	313.1193192
135753908	Hydrogen_Bond_Donor_Count	1
71583494	Defined_Bond_Stereo_Count	0
86309268	Rotatable_Bond_Count	3
53731118	Hydrogen_Bond_Donor_Count	2
97297	Molecular_Weight	392.15
112230	Hydrogen_Bond_Donor_Count	3
122706485	Undefined_Bond_Stereo_Count	0
60789	Undefined_Atom_Stereo_Count	0
3195	Hydrogen_Bond_Donor_Count	0
88553883	Molecular_Weight	100.07
70864	Rotatable_Bond_Count	7
24758983	Molecular_Weight	420.4
10572530	Rotatable_Bond_Count	4
6603693	Isotope_Atom_Count	0
53694406	Non-hydrogen_Atom_Count	7
12510987	Rotatable_Bond_Count	3
86876	Hydrogen_Bond_Donor_Count	0
561193	Covalent_Unit_Count	1
66991180	Covalent_Unit_Count	1
116842253	Exact_Mass	109.089149355
535111	Molecular_Weight	112.17
158698	Hydrogen_Bond_Donor_Count	1
17834171	Molecular_Weight	101.15
96344	Hydrogen_Bond_Acceptor_Count	3
91701	Defined_Atom_Stereo_Count	0
4099	Rotatable_Bond_Count	2
413534	Hydrogen_Bond_Donor_Count	0
107647	Tautomer_Count	1
31679	Tautomer_Count	1
20526803	Defined_Atom_Stereo_Count	0
4997	Molecular_Weight	247.33
9964065	Isotope_Atom_Count	0
2193	Covalent_Unit_Count	1
129630288	Rotatable_Bond_Count	4
14454	Structure_Complexity	48.1
53396306	Defined_Bond_Stereo_Count	0
2789	Undefined_Atom_Stereo_Count	0
3068143	Hydrogen_Bond_Donor_Count	3
5352693	Mono_Isotopic_Weight	180.01011390
12040509	Undefined_Atom_Stereo_Count	0
11962143	TPSA	129
138076	Covalent_Unit_Count	1
79497	Defined_Bond_Stereo_Count	0
3086172	TPSA	59.3
135440068	Hydrogen_Bond_Acceptor_Count	6
20561716	Hydrogen_Bond_Acceptor_Count	3
6854	Non-hydrogen_Atom_Count	13
8505	Defined_Bond_Stereo_Count	0
6319	Exact_Mass	260.131348519
118701518	Undefined_Bond_Stereo_Count	0
90567	Hydrogen_Bond_Acceptor_Count	1
70077074	Defined_Bond_Stereo_Count	0
448055	Undefined_Atom_Stereo_Count	0
82528	Exact_Mass	280.240230259
6173	Exact_Mass	422.19877662
63181514	Non-hydrogen_Atom_Count	7
213020	Undefined_Atom_Stereo_Count	0
88930515	Molecular_Weight	1202.6
6327869	Hydrogen_Bond_Acceptor_Count	1
3356829	Defined_Bond_Stereo_Count	0
19974934	XLogP3-AA	2.5
133620	TPSA	78.8
7920	Structure_Complexity	128
153986581	Undefined_Bond_Stereo_Count	0
156592059	Covalent_Unit_Count	2
22220875	Structure_Complexity	103
59712821	Defined_Atom_Stereo_Count	0
785244	Defined_Atom_Stereo_Count	2
181	Total_Formal_Charge	0
2673	Isotope_Atom_Count	0
40634	TPSA	66.8
98810	Rotatable_Bond_Count	5
13838	Isotope_Atom_Count	0
11906	Undefined_Bond_Stereo_Count	0
75905	Isotope_Atom_Count	0
1910825	Exact_Mass	369.19400834
20660020	Hydrogen_Bond_Donor_Count	1
123662875	Covalent_Unit_Count	1
56954881	Isotope_Atom_Count	0
13392742	Undefined_Atom_Stereo_Count	0
69488026	TPSA	43.3
42509	Molecular_Weight	329.9
201652	Non-hydrogen_Atom_Count	13
102657	Rotatable_Bond_Count	2
391144	Hydrogen_Bond_Donor_Count	2
102592515	Covalent_Unit_Count	1
2230	Structure_Complexity	187
108078	XLogP3	5
67641738	Mono_Isotopic_Weight	180.06338810
9811	Hydrogen_Bond_Acceptor_Count	2
146102	Structure_Complexity	364
54037464	TPSA	72.3
3082518	Defined_Atom_Stereo_Count	4
10997483	Undefined_Atom_Stereo_Count	0
26312	Undefined_Bond_Stereo_Count	0
21059	Mono_Isotopic_Weight	140.047344113
5311092	Undefined_Bond_Stereo_Count	0
122164129	Non-hydrogen_Atom_Count	8
5311309	Undefined_Bond_Stereo_Count	0
10776235	Exact_Mass	236.1331784
654	Tautomer_Count	1
5273759	Rotatable_Bond_Count	6
77574	Isotope_Atom_Count	0
5282229	Defined_Bond_Stereo_Count	2
4358655	Total_Formal_Charge	0
2724100	Molecular_Weight	594.5
71464628	Structure_Complexity	641
5361202	Defined_Atom_Stereo_Count	2
54548956	Exact_Mass	112.063662883
91063960	Undefined_Atom_Stereo_Count	0
39593	Total_Formal_Charge	0
1099	Undefined_Bond_Stereo_Count	0
166718	Undefined_Atom_Stereo_Count	0
11953887	Tautomer_Count	80
202877	TPSA	132
74777	Isotope_Atom_Count	0
1046	Total_Formal_Charge	0
3062316	Structure_Complexity	642
25263055	Mono_Isotopic_Weight	237.10010796
8289	Undefined_Atom_Stereo_Count	0
21336123	Covalent_Unit_Count	1
54360	Non-hydrogen_Atom_Count	28
12412266	Undefined_Bond_Stereo_Count	0
7103	Non-hydrogen_Atom_Count	13
8855	Undefined_Bond_Stereo_Count	0
12933282	Total_Formal_Charge	0
108046	Covalent_Unit_Count	1
13041095	Structure_Complexity	463
5284442	XLogP3-AA	4
20658615	Undefined_Atom_Stereo_Count	0
53394037	XLogP3-AA	2.3
520780	Exact_Mass	87.068413911
11953808	Total_Formal_Charge	0
447905	Non-hydrogen_Atom_Count	41
16051586	Hydrogen_Bond_Donor_Count	2
600	Isotope_Atom_Count	0
3672	Isotope_Atom_Count	0
6458	Rotatable_Bond_Count	3
51030984	XLogP3-AA	2
22979	Total_Formal_Charge	0
2655	XLogP3	0
10767	Exact_Mass	235.157228913
12394845	Total_Formal_Charge	0
59933239	Defined_Bond_Stereo_Count	0
139060478	Defined_Atom_Stereo_Count	0
24848788	Defined_Atom_Stereo_Count	0
5284382	Tautomer_Count	1
89392	Exact_Mass	186.161979940
13889162	Molecular_Weight	354.35
3908	Exact_Mass	496.26070817
2002	Molecular_Weight	246.26
50914184	TPSA	30.7
96780	Non-hydrogen_Atom_Count	17
53387026	Total_Formal_Charge	0
57369253	Isotope_Atom_Count	6
60196404	Exact_Mass	636.240074
117721	Total_Formal_Charge	0
133687818	TPSA	245
19918	Hydrogen_Bond_Donor_Count	0
132035918	Rotatable_Bond_Count	0
2734168	XLogP3-AA	1.7
36690486	XLogP3	4.6
439184	Undefined_Bond_Stereo_Count	0
15008962	Tautomer_Count	1
20035	Rotatable_Bond_Count	7
15190665	Rotatable_Bond_Count	0
117186636	Rotatable_Bond_Count	1
23642301	Total_Formal_Charge	0
84442	Covalent_Unit_Count	1
6440938	Molecular_Weight	259.21
49798415	Covalent_Unit_Count	1
13424663	Undefined_Atom_Stereo_Count	0
6432236	Isotope_Atom_Count	0
6438151	Hydrogen_Bond_Acceptor_Count	14
85610	TPSA	37.5
5311504	TPSA	54.4
104944	Mono_Isotopic_Weight	94.041864811
14583329	Defined_Bond_Stereo_Count	0
123716071	Exact_Mass	110.073164938
18403043	Undefined_Atom_Stereo_Count	2
21896651	Hydrogen_Bond_Acceptor_Count	47
1120	Covalent_Unit_Count	1
12936730	Undefined_Bond_Stereo_Count	0
3890	Rotatable_Bond_Count	14
9115	Undefined_Atom_Stereo_Count	0
55284589	Defined_Atom_Stereo_Count	0
99058	Covalent_Unit_Count	1
520190	Molecular_Weight	290.5
118264	Exact_Mass	266.0822054
134129158	Covalent_Unit_Count	1
314	Structure_Complexity	531
67246553	Molecular_Weight	372.4
83287	TPSA	18.5
133562630	Mono_Isotopic_Weight	815.44559113
139612467	Molecular_Weight	100.12
18626412	Structure_Complexity	63.1
53119	Isotope_Atom_Count	0
14975831	Exact_Mass	75.068413911
65427	Isotope_Atom_Count	0
95343	Structure_Complexity	227
17918606	Rotatable_Bond_Count	1
99807	Total_Formal_Charge	0
2734236	Structure_Complexity	93.3
133124921	Undefined_Bond_Stereo_Count	0
134828	Exact_Mass	298.09535693
53856717	Defined_Bond_Stereo_Count	0
134688154	Isotope_Atom_Count	0
129675901	Total_Formal_Charge	0
11405875	Hydrogen_Bond_Acceptor_Count	3
33263	Hydrogen_Bond_Donor_Count	1
87338910	Hydrogen_Bond_Donor_Count	2
83346	Non-hydrogen_Atom_Count	8
5367706	Hydrogen_Bond_Acceptor_Count	2
13848132	Non-hydrogen_Atom_Count	7
50313	TPSA	99.1
40466968	Defined_Atom_Stereo_Count	1
963289	Hydrogen_Bond_Acceptor_Count	3
5067511	Tautomer_Count	1
21491139	TPSA	61.1
39468	TPSA	58.6
84648	Isotope_Atom_Count	0
54276448	Defined_Atom_Stereo_Count	0
9939627	Structure_Complexity	836
52732	Rotatable_Bond_Count	11
19891145	Non-hydrogen_Atom_Count	8
59859430	Defined_Bond_Stereo_Count	0
77927	Defined_Bond_Stereo_Count	0
86590530	Rotatable_Bond_Count	0
53465918	Rotatable_Bond_Count	6
123467456	Structure_Complexity	72.9
104735	Covalent_Unit_Count	1
135391180	Undefined_Atom_Stereo_Count	0
13661819	Non-hydrogen_Atom_Count	7
516	Structure_Complexity	388
43193	Hydrogen_Bond_Donor_Count	0
131632500	Non-hydrogen_Atom_Count	23
63801	Covalent_Unit_Count	2
11240453	Non-hydrogen_Atom_Count	8
123558404	Rotatable_Bond_Count	1
17473	Hydrogen_Bond_Acceptor_Count	18
67546	Tautomer_Count	1
10486805	Molecular_Weight	100.12
23341440	Isotope_Atom_Count	0
24802163	Defined_Atom_Stereo_Count	3
808	Covalent_Unit_Count	1
135742	Undefined_Bond_Stereo_Count	0
3776755	Rotatable_Bond_Count	0
11546350	Total_Formal_Charge	0
72728884	Exact_Mass	97.089149355
1549521	Rotatable_Bond_Count	2
163090689	Undefined_Bond_Stereo_Count	0
22323244	XLogP3-AA	1.7
54688693	Covalent_Unit_Count	1
59296111	Rotatable_Bond_Count	7
26970	Tautomer_Count	1
91558991	Covalent_Unit_Count	1
179512	Hydrogen_Bond_Acceptor_Count	2
80102	Tautomer_Count	1
134574427	Molecular_Weight	102.14
11979956	Rotatable_Bond_Count	20
439356	Mono_Isotopic_Weight	203.105862047
22015942	Covalent_Unit_Count	1
135566433	Structure_Complexity	557
441393	Hydrogen_Bond_Acceptor_Count	14
20060810	TPSA	47.8
65106	Structure_Complexity	403
68396	Rotatable_Bond_Count	0
58883	Undefined_Bond_Stereo_Count	0
22542	Molecular_Weight	272.23
76118878	Defined_Bond_Stereo_Count	0
2408	Hydrogen_Bond_Donor_Count	1
2396	Exact_Mass	412.18992602
141850000	Hydrogen_Bond_Acceptor_Count	1
263	Molecular_Weight	74.12
22335779	Rotatable_Bond_Count	2
118210808	XLogP3-AA	0.3
382975	Undefined_Atom_Stereo_Count	1
22257513	TPSA	23.8
25154714	TPSA	175
53857340	Defined_Atom_Stereo_Count	10
3650	Mono_Isotopic_Weight	148.02842019
6373	XLogP3-AA	1.5
925642	Mono_Isotopic_Weight	231.11201006
5464265	Tautomer_Count	1
135391135	Non-hydrogen_Atom_Count	29
44571221	Non-hydrogen_Atom_Count	30
90498	Isotope_Atom_Count	0
23279533	Hydrogen_Bond_Acceptor_Count	3
148241675	Isotope_Atom_Count	0
819269	Undefined_Bond_Stereo_Count	0
75789	Non-hydrogen_Atom_Count	11
94543	Mono_Isotopic_Weight	250.193280068
79267	Hydrogen_Bond_Donor_Count	1
164767	Molecular_Weight	172.00
60867	Molecular_Weight	280.28
45275554	Mono_Isotopic_Weight	492.1939613
17950293	Mono_Isotopic_Weight	102.0469501914
1305	Exact_Mass	466.33077660
60196331	Undefined_Atom_Stereo_Count	0
85865	Hydrogen_Bond_Donor_Count	1
8897	Mono_Isotopic_Weight	133.03750770
16718576	Covalent_Unit_Count	1
124946	TPSA	46.6
93057	Rotatable_Bond_Count	1
161664	Structure_Complexity	411
12769202	Total_Formal_Charge	0
57511216	Covalent_Unit_Count	1
72800595	Molecular_Weight	114.14
1382059	Undefined_Bond_Stereo_Count	0
39507	Total_Formal_Charge	0
76437	Exact_Mass	161.047678466
7019	Total_Formal_Charge	0
66091	TPSA	92
4357	Exact_Mass	344.03856
16218739	Molecular_Weight	388.5
15424	Isotope_Atom_Count	0
11476771	Rotatable_Bond_Count	5
103439594	Undefined_Atom_Stereo_Count	0
155803776	Hydrogen_Bond_Acceptor_Count	6
56673551	Exact_Mass	454.20049070
12636246	Structure_Complexity	72.5
404289	Non-hydrogen_Atom_Count	23
9885850	Structure_Complexity	552
15939271	Total_Formal_Charge	0
24199313	Undefined_Atom_Stereo_Count	5
6763	Undefined_Bond_Stereo_Count	0
19044091	Hydrogen_Bond_Donor_Count	3
6254	Mono_Isotopic_Weight	395.97220756
9897	XLogP3-AA	1
19016	TPSA	32.1
65635	Hydrogen_Bond_Acceptor_Count	4
23675341	Molecular_Weight	477.5
10444413	XLogP3	3.2
141758017	Total_Formal_Charge	0
6994	XLogP3	1.6
83779	Covalent_Unit_Count	1
13530	Mono_Isotopic_Weight	159.924948
12002774	TPSA	17.8
78739	Hydrogen_Bond_Acceptor_Count	2
2752647	Isotope_Atom_Count	0
14017772	TPSA	72.6
53714679	Structure_Complexity	161
91683	Mono_Isotopic_Weight	314.0622189
137375527	Mono_Isotopic_Weight	406.04292
91224654	Total_Formal_Charge	0
89986047	XLogP3-AA	1
69994	Defined_Atom_Stereo_Count	0
99451	Total_Formal_Charge	0
73847	Structure_Complexity	163
3234	Defined_Atom_Stereo_Count	0
9821547	TPSA	77.4
9482	Defined_Atom_Stereo_Count	0
54598306	Undefined_Bond_Stereo_Count	0
66586218	Defined_Atom_Stereo_Count	3
129849	Structure_Complexity	730
65499	Tautomer_Count	1
79790	XLogP3-AA	3.5
9953769	Hydrogen_Bond_Donor_Count	1
54601825	Tautomer_Count	1
12943941	Hydrogen_Bond_Acceptor_Count	2
92907	Defined_Atom_Stereo_Count	1
10449	XLogP3-AA	1.3
64107	Structure_Complexity	684
10347721	Mono_Isotopic_Weight	558.20900452
6435401	Hydrogen_Bond_Acceptor_Count	8
21405	Total_Formal_Charge	0
564980	Hydrogen_Bond_Acceptor_Count	3
25201614	Defined_Atom_Stereo_Count	0
44389437	Total_Formal_Charge	0
13895197	Hydrogen_Bond_Donor_Count	5
70542877	Molecular_Weight	97.08
63546	Total_Formal_Charge	0
71325379	Exact_Mass	108.057514874
37993	TPSA	70
3058	Covalent_Unit_Count	1
154496967	Structure_Complexity	382
151203809	XLogP3	0.9
68849	Mono_Isotopic_Weight	297.19400834
48000	Undefined_Atom_Stereo_Count	0
31898	Structure_Complexity	378
6917762	Exact_Mass	228.183778013
638070	Isotope_Atom_Count	0
24900685	XLogP3-AA	2.3
44208849	XLogP3-AA	3
4845	Defined_Atom_Stereo_Count	0
2808977	Hydrogen_Bond_Donor_Count	1
84677	Isotope_Atom_Count	0
13898	TPSA	36.3
24744154	Exact_Mass	421.08833875
68028	TPSA	17.1
160944	Covalent_Unit_Count	2
9871074	XLogP3-AA	3.7
6145931	Total_Formal_Charge	0
527511	Structure_Complexity	62.8
73720	Molecular_Weight	166.29
413019	Structure_Complexity	385
11510	Hydrogen_Bond_Donor_Count	2
445302	Non-hydrogen_Atom_Count	14
8425	Molecular_Weight	218.68
58270050	Exact_Mass	111.068413911
6405	Isotope_Atom_Count	0
7825	Defined_Bond_Stereo_Count	0
1977386	XLogP3-AA	3.4
9980241	Tautomer_Count	6
142262	Total_Formal_Charge	0
62705689	XLogP3-AA	2.7
15368893	Isotope_Atom_Count	0
479	Non-hydrogen_Atom_Count	18
6432744	Molecular_Weight	414.7
157920	Defined_Atom_Stereo_Count	4
16051696	Molecular_Weight	393.5
14480677	Hydrogen_Bond_Donor_Count	2
59603622	Isotope_Atom_Count	0
89127533	Total_Formal_Charge	0
5231576	Defined_Atom_Stereo_Count	0
135925740	Defined_Bond_Stereo_Count	3
66615619	Hydrogen_Bond_Acceptor_Count	6
12251	Undefined_Bond_Stereo_Count	0
13733	Hydrogen_Bond_Donor_Count	1
20	Covalent_Unit_Count	1
12860067	Total_Formal_Charge	0
25015677	Mono_Isotopic_Weight	543.27694433
3279	Undefined_Bond_Stereo_Count	0
91805	XLogP3-AA	1.7
34055	Rotatable_Bond_Count	6
5288382	Structure_Complexity	1150
69027241	Structure_Complexity	137
90019226	Mono_Isotopic_Weight	103.063328530
138107735	Defined_Atom_Stereo_Count	4
15475283	Hydrogen_Bond_Acceptor_Count	1
7472	Undefined_Bond_Stereo_Count	0
535722	Undefined_Bond_Stereo_Count	0
10129	Covalent_Unit_Count	1
5328017	Total_Formal_Charge	0
118701038	TPSA	0
68432538	TPSA	18.5
124605148	Exact_Mass	665.30474055
3266	Non-hydrogen_Atom_Count	24
1615208	Rotatable_Bond_Count	2
11375816	Exact_Mass	518.4747169
9926621	Non-hydrogen_Atom_Count	23
441397	Hydrogen_Bond_Acceptor_Count	9
565589	Undefined_Atom_Stereo_Count	2
743492	Undefined_Bond_Stereo_Count	0
9915861	Covalent_Unit_Count	1
75421	Undefined_Bond_Stereo_Count	0
54675864	Defined_Bond_Stereo_Count	0
12387212	Isotope_Atom_Count	0
15953353	Rotatable_Bond_Count	11
115140	Covalent_Unit_Count	2
53936528	Covalent_Unit_Count	1
564527	Hydrogen_Bond_Donor_Count	0
2453568	Isotope_Atom_Count	0
37427	Tautomer_Count	1
14452005	Defined_Bond_Stereo_Count	0
21041051	Covalent_Unit_Count	1
14532580	Covalent_Unit_Count	1
14524652	Rotatable_Bond_Count	0
816864	Exact_Mass	253.09502258
20517177	Defined_Bond_Stereo_Count	0
76672	Structure_Complexity	222
636403	XLogP3-AA	6.4
9567537	TPSA	176
53322797	Defined_Bond_Stereo_Count	0
54712709	Rotatable_Bond_Count	2
86614862	Defined_Bond_Stereo_Count	0
10986305	Mono_Isotopic_Weight	139.038176411
643984	Hydrogen_Bond_Donor_Count	1
11317	TPSA	0
6386307	Molecular_Weight	354.5
45788558	Rotatable_Bond_Count	0
8670	Hydrogen_Bond_Donor_Count	1
57829	Rotatable_Bond_Count	4
153238571	Molecular_Weight	180.16
4514	Exact_Mass	412.1302182
22062700	Mono_Isotopic_Weight	101.084063974
25660	Hydrogen_Bond_Acceptor_Count	2
7895	Hydrogen_Bond_Donor_Count	0
160	TPSA	98
56675699	XLogP3-AA	3.7
5370325	Isotope_Atom_Count	0
83433	Isotope_Atom_Count	0
8287	Mono_Isotopic_Weight	361.1618684
279451	TPSA	41.1
131750190	Structure_Complexity	1280
121207396	Undefined_Bond_Stereo_Count	0
30550	Total_Formal_Charge	0
78446	Structure_Complexity	46.1
77795	Rotatable_Bond_Count	4
84647602	Mono_Isotopic_Weight	97.052763847
163143	Non-hydrogen_Atom_Count	32
68547	Defined_Atom_Stereo_Count	0
11884	TPSA	0
41206	Molecular_Weight	240.34
3034655	Isotope_Atom_Count	0
73951857	Non-hydrogen_Atom_Count	20
580566	Isotope_Atom_Count	0
11983	TPSA	17.1
142765305	Undefined_Atom_Stereo_Count	0
15897928	Total_Formal_Charge	0
282518	Molecular_Weight	311.29
124514	Isotope_Atom_Count	0
45357563	Exact_Mass	406.21555225
11719190	Undefined_Atom_Stereo_Count	0
11434927	Non-hydrogen_Atom_Count	8
10772946	Structure_Complexity	74.1
278715	Covalent_Unit_Count	1
54006622	Molecular_Weight	112.17
5069	Defined_Bond_Stereo_Count	0
136355	Structure_Complexity	58.3
9883915	Hydrogen_Bond_Acceptor_Count	2
98423	Covalent_Unit_Count	1
10646616	Isotope_Atom_Count	0
20709675	Molecular_Weight	115.13
80788	Mono_Isotopic_Weight	453.926795
21624254	Structure_Complexity	68.5
5486172	Hydrogen_Bond_Donor_Count	6
49857317	Undefined_Atom_Stereo_Count	0
319701	Structure_Complexity	743
3790	Covalent_Unit_Count	1
162291	Defined_Atom_Stereo_Count	0
44410869	Molecular_Weight	459.9
62784	Hydrogen_Bond_Acceptor_Count	4
10953456	TPSA	22.4
84463	Rotatable_Bond_Count	6
11829	Isotope_Atom_Count	0
117721	Hydrogen_Bond_Donor_Count	0
27713	Molecular_Weight	271.74
12908367	Undefined_Atom_Stereo_Count	1
327044	Total_Formal_Charge	0
137240373	Total_Formal_Charge	0
82400	Rotatable_Bond_Count	5
11972532	XLogP3-AA	2.3
12579408	Undefined_Atom_Stereo_Count	2
10334852	Rotatable_Bond_Count	6
91661	Molecular_Weight	338.9
12695798	Total_Formal_Charge	0
11492406	Undefined_Atom_Stereo_Count	0
70682214	XLogP3-AA	1.3
22648408	Mono_Isotopic_Weight	116.047344113
59557415	Undefined_Atom_Stereo_Count	0
62875	Tautomer_Count	1
24867465	Non-hydrogen_Atom_Count	22
477	Hydrogen_Bond_Donor_Count	10
5362376	Mono_Isotopic_Weight	444.1485709
3085017	Tautomer_Count	1
129631779	Rotatable_Bond_Count	8
2752648	Isotope_Atom_Count	0
13235324	Isotope_Atom_Count	0
66620431	Non-hydrogen_Atom_Count	19
40473166	Isotope_Atom_Count	0
11840927	Exact_Mass	228.09324893
681255	TPSA	68.5
18372143	Defined_Bond_Stereo_Count	0
53924211	TPSA	58.5
18680274	Defined_Atom_Stereo_Count	0
23247721	Defined_Atom_Stereo_Count	2
129653419	Isotope_Atom_Count	0
6525	Covalent_Unit_Count	1
9941444	TPSA	281
31211	XLogP3	0.8
91065505	Hydrogen_Bond_Acceptor_Count	1
68682	Non-hydrogen_Atom_Count	38
638081	Mono_Isotopic_Weight	162.140850574
73013	Non-hydrogen_Atom_Count	27
1392	Covalent_Unit_Count	1
16749605	Total_Formal_Charge	0
66105	TPSA	0
64718	TPSA	104
15615	Undefined_Atom_Stereo_Count	0
6591	Structure_Complexity	26.5
5284499	Tautomer_Count	1
10145345	Total_Formal_Charge	0
9853710	Structure_Complexity	1420
92043507	Total_Formal_Charge	0
21218	Defined_Atom_Stereo_Count	0
39066	XLogP3-AA	5.2
71622	Undefined_Bond_Stereo_Count	0
34338	Total_Formal_Charge	0
16832	Undefined_Bond_Stereo_Count	0
139062527	Structure_Complexity	368
68015385	TPSA	190
10975450	Undefined_Atom_Stereo_Count	0
639391	Total_Formal_Charge	0
21946307	Non-hydrogen_Atom_Count	7
123966800	Rotatable_Bond_Count	0
44320150	Tautomer_Count	16
136662680	Total_Formal_Charge	0
24759089	Isotope_Atom_Count	0
522	Undefined_Atom_Stereo_Count	5
54309225	Covalent_Unit_Count	1
60196393	Exact_Mass	263.08029903
23663977	Hydrogen_Bond_Donor_Count	2
3966	Molecular_Weight	234.38
3037914	Hydrogen_Bond_Acceptor_Count	5
13863534	Defined_Atom_Stereo_Count	0
21057641	Hydrogen_Bond_Donor_Count	4
5370052	Exact_Mass	208.146329876
520326	Undefined_Atom_Stereo_Count	1
138891	Defined_Bond_Stereo_Count	0
150175	Total_Formal_Charge	0
657087	Defined_Atom_Stereo_Count	1
171257	Hydrogen_Bond_Donor_Count	3
6259976	Tautomer_Count	3
22524140	XLogP3-AA	4
448803	Hydrogen_Bond_Donor_Count	6
31492	Tautomer_Count	1
11289	Hydrogen_Bond_Acceptor_Count	3
17863	Exact_Mass	232.92378
5152	Total_Formal_Charge	0
61191	Covalent_Unit_Count	1
68548	Undefined_Bond_Stereo_Count	0
130035	Total_Formal_Charge	0
688669	Covalent_Unit_Count	1
16205480	Defined_Atom_Stereo_Count	0
18728952	Hydrogen_Bond_Acceptor_Count	2
7098630	Mono_Isotopic_Weight	342.11621151
24608	Hydrogen_Bond_Acceptor_Count	2
77037484	Structure_Complexity	80.5
15311935	TPSA	76.5
16638	Total_Formal_Charge	0
23422064	TPSA	60.8
126514322	Non-hydrogen_Atom_Count	7
5245	Exact_Mass	283.00107569
71713950	Isotope_Atom_Count	0
2734179	Tautomer_Count	1
60814	Molecular_Weight	412.9
5326971	Undefined_Bond_Stereo_Count	0
11890	XLogP3	1.6
83023	Molecular_Weight	433.46
5288527	Total_Formal_Charge	0
447340	Covalent_Unit_Count	1
24414	Undefined_Atom_Stereo_Count	0
71469	Defined_Atom_Stereo_Count	27
11966129	Isotope_Atom_Count	0
32443	Structure_Complexity	253
59557415	Defined_Atom_Stereo_Count	0
58460047	TPSA	98
96299	Hydrogen_Bond_Donor_Count	2
13757963	Rotatable_Bond_Count	0
801111	Hydrogen_Bond_Acceptor_Count	5
213037	TPSA	167
6004	Structure_Complexity	117
49858374	Isotope_Atom_Count	0
68396089	Defined_Bond_Stereo_Count	0
56134	Molecular_Weight	170.30
833	Undefined_Bond_Stereo_Count	0
44430374	Structure_Complexity	424
3000667	Total_Formal_Charge	0
89683805	Hydrogen_Bond_Donor_Count	3
543879	Tautomer_Count	3
3798	Rotatable_Bond_Count	4
7647	Defined_Bond_Stereo_Count	0
136304	Covalent_Unit_Count	1
8761	Structure_Complexity	111
21019405	Non-hydrogen_Atom_Count	8
72049	Non-hydrogen_Atom_Count	35
141336344	Molecular_Weight	114.14
135013065	Undefined_Bond_Stereo_Count	0
78485	Undefined_Bond_Stereo_Count	0
16656889	Molecular_Weight	508.4
76519	Hydrogen_Bond_Donor_Count	1
5289534	Isotope_Atom_Count	0
6196	XLogP3	2.4
89683805	Molecular_Weight	473.4
10762413	Hydrogen_Bond_Acceptor_Count	3
5327686	Non-hydrogen_Atom_Count	30
20617585	Hydrogen_Bond_Donor_Count	0
6710769	Non-hydrogen_Atom_Count	29
6451325	Defined_Atom_Stereo_Count	4
54594881	Isotope_Atom_Count	0
7380	Hydrogen_Bond_Acceptor_Count	1
90462	Structure_Complexity	244
11944	Undefined_Atom_Stereo_Count	0
97391	Molecular_Weight	142.20
544180	Exact_Mass	112.125200510
3058503	Isotope_Atom_Count	0
138122	Rotatable_Bond_Count	0
67258902	Isotope_Atom_Count	0
9574343	Non-hydrogen_Atom_Count	36
76956224	Molecular_Weight	449.5
6857686	TPSA	37.3
1299	Non-hydrogen_Atom_Count	15
17841212	Hydrogen_Bond_Acceptor_Count	3
147246033	TPSA	9.2
31191	Hydrogen_Bond_Donor_Count	1
54487968	Non-hydrogen_Atom_Count	8
636750	Hydrogen_Bond_Donor_Count	0
60196346	Molecular_Weight	432.5
298391	Defined_Bond_Stereo_Count	0
70949	Tautomer_Count	9
72281	Covalent_Unit_Count	1
565623	Exact_Mass	336.26644501
13306877	Hydrogen_Bond_Acceptor_Count	2
89349945	Non-hydrogen_Atom_Count	8
7989	TPSA	17.1
6498	Mono_Isotopic_Weight	118.00885060
27941	Hydrogen_Bond_Acceptor_Count	1
522065	Molecular_Weight	146.30
11082	Molecular_Weight	216.26
2881	Undefined_Atom_Stereo_Count	0
145984	Exact_Mass	228.07462149
17928	Rotatable_Bond_Count	0
10877064	Covalent_Unit_Count	1
92043128	Non-hydrogen_Atom_Count	53
140979598	Hydrogen_Bond_Donor_Count	0
5551	XLogP3-AA	7.9
4952	Total_Formal_Charge	0
16129682	Total_Formal_Charge	0
21322859	TPSA	20.3
88276	TPSA	41.5
129801083	Defined_Atom_Stereo_Count	0
9570438	XLogP3-AA	3.8
8167	Total_Formal_Charge	0
57394389	Defined_Bond_Stereo_Count	0
1892	Exact_Mass	224.09094026
22172474	Defined_Bond_Stereo_Count	0
66727	Mono_Isotopic_Weight	177.078978594
21791633	Covalent_Unit_Count	1
65823	Tautomer_Count	1
15179723	Structure_Complexity	62.7
10133	Structure_Complexity	605
23366185	Total_Formal_Charge	0
54685524	Rotatable_Bond_Count	5
70838	Covalent_Unit_Count	1
4179	Structure_Complexity	1470
56720	Undefined_Bond_Stereo_Count	0
68157	Structure_Complexity	50.9
3440	Undefined_Bond_Stereo_Count	0
89118	Isotope_Atom_Count	0
16754849	Undefined_Bond_Stereo_Count	0
6411	Molecular_Weight	112.11
9897	Mono_Isotopic_Weight	144.03981395
13715986	Molecular_Weight	118.13
9249	Rotatable_Bond_Count	0
11519741	Exact_Mass	563.07996
1189	Rotatable_Bond_Count	2
57411983	XLogP3-AA	2.3
123592678	Undefined_Atom_Stereo_Count	2
19352068	Structure_Complexity	45.8
166918	Exact_Mass	264.910451
121235530	Exact_Mass	3356.8220541
4628	Mono_Isotopic_Weight	261.06372245
445858	Rotatable_Bond_Count	3
25079425	Total_Formal_Charge	0
16211409	Tautomer_Count	1
6273649	Hydrogen_Bond_Acceptor_Count	4
23675312	Structure_Complexity	713
11940	Molecular_Weight	180.24
157	Covalent_Unit_Count	1
7419	TPSA	63.3
38089	Non-hydrogen_Atom_Count	21
8821	Isotope_Atom_Count	0
14063315	Undefined_Bond_Stereo_Count	0
6440352	Non-hydrogen_Atom_Count	43
54455096	Exact_Mass	116.083729621
53388942	Molecular_Weight	471.5
14619651	Hydrogen_Bond_Acceptor_Count	4
11189	Undefined_Atom_Stereo_Count	0
20793238	Isotope_Atom_Count	0
699414	Defined_Bond_Stereo_Count	1
14672754	Total_Formal_Charge	0
5086465	Molecular_Weight	91.11
57397462	Defined_Bond_Stereo_Count	0
542882	Hydrogen_Bond_Donor_Count	0
61101	Hydrogen_Bond_Acceptor_Count	8
449619	TPSA	64.9
34695	Defined_Bond_Stereo_Count	0
5368831	Molecular_Weight	138.16
5283393	Molecular_Weight	303.5
76963096	Covalent_Unit_Count	2
5484131	Molecular_Weight	546.6
118435360	Structure_Complexity	676
33629	Tautomer_Count	1
226147	Exact_Mass	242.094294304
19422150	Rotatable_Bond_Count	1
441451	Structure_Complexity	176
2922	Covalent_Unit_Count	1
219023	Covalent_Unit_Count	1
4843	Defined_Bond_Stereo_Count	0
57384040	Defined_Bond_Stereo_Count	0
3829279	Covalent_Unit_Count	1
78014	Mono_Isotopic_Weight	109.063997236
2237	Covalent_Unit_Count	1
10966	Mono_Isotopic_Weight	87.01427034
9800065	Structure_Complexity	519
16492	Isotope_Atom_Count	0
123146	Defined_Atom_Stereo_Count	0
188141	Tautomer_Count	2
45380694	Non-hydrogen_Atom_Count	34
62705860	Hydrogen_Bond_Acceptor_Count	8
2881	Defined_Atom_Stereo_Count	0
129674754	Defined_Bond_Stereo_Count	0
60155273	Total_Formal_Charge	0
74266	Hydrogen_Bond_Acceptor_Count	6
46	Isotope_Atom_Count	0
8413	Non-hydrogen_Atom_Count	16
5057599	Hydrogen_Bond_Donor_Count	2
15109863	Total_Formal_Charge	0
89187208	Mono_Isotopic_Weight	416.32904526
96381	Mono_Isotopic_Weight	220.146329876
25235992	Undefined_Atom_Stereo_Count	1
10178	Total_Formal_Charge	0
18928374	Covalent_Unit_Count	1
4989215	Isotope_Atom_Count	0
6604858	Isotope_Atom_Count	0
12332146	Defined_Atom_Stereo_Count	0
51043	TPSA	0
4274588	Hydrogen_Bond_Acceptor_Count	4
5081356	Structure_Complexity	1080
69275	Structure_Complexity	135
97389	Hydrogen_Bond_Donor_Count	1
7450	Total_Formal_Charge	0
190550	TPSA	38
70400	Molecular_Weight	242.1
656837	Non-hydrogen_Atom_Count	36
14078847	Total_Formal_Charge	0
296659	Undefined_Atom_Stereo_Count	1
6849	Rotatable_Bond_Count	0
10288191	TPSA	88.4
11646	Tautomer_Count	1
6115	Isotope_Atom_Count	0
15228410	Hydrogen_Bond_Donor_Count	0
69610	Non-hydrogen_Atom_Count	5
9843750	TPSA	98.7
130026523	Structure_Complexity	121
3037918	Structure_Complexity	352
16131191	Undefined_Bond_Stereo_Count	0
89143818	Isotope_Atom_Count	0
86488	Hydrogen_Bond_Donor_Count	2
57406717	Total_Formal_Charge	0
55653	Molecular_Weight	263.16
13808289	Non-hydrogen_Atom_Count	8
5059	Defined_Atom_Stereo_Count	0
10857465	Hydrogen_Bond_Acceptor_Count	1
61253	Hydrogen_Bond_Donor_Count	3
13649426	Rotatable_Bond_Count	2
5071450	Mono_Isotopic_Weight	157.04874109
5460389	Hydrogen_Bond_Donor_Count	2
10347891	Undefined_Bond_Stereo_Count	0
129722163	TPSA	127
142350	Rotatable_Bond_Count	1
12298493	Hydrogen_Bond_Acceptor_Count	2
21822	Rotatable_Bond_Count	3
22561495	Molecular_Weight	223.31
57396150	Mono_Isotopic_Weight	462.23007675
12519677	Undefined_Bond_Stereo_Count	0
107770	Undefined_Atom_Stereo_Count	2
36572	Mono_Isotopic_Weight	406.1560391
7523	Hydrogen_Bond_Donor_Count	0
6427991	Defined_Atom_Stereo_Count	0
92942	Undefined_Bond_Stereo_Count	0
73148	Non-hydrogen_Atom_Count	77
612743	Defined_Atom_Stereo_Count	0
12301251	Total_Formal_Charge	0
96651	Defined_Bond_Stereo_Count	0
403648	Molecular_Weight	384.7
7282	Undefined_Atom_Stereo_Count	0
10105	Mono_Isotopic_Weight	188.14124450
123875320	Non-hydrogen_Atom_Count	8
986	Isotope_Atom_Count	0
54746485	Total_Formal_Charge	0
656630	TPSA	288
52355	Defined_Bond_Stereo_Count	0
38464	XLogP3-AA	2.3
437080	Undefined_Atom_Stereo_Count	26
2173	Structure_Complexity	556
24755478	Exact_Mass	434.22776808
783	Defined_Bond_Stereo_Count	0
12661295	Isotope_Atom_Count	0
55748	Hydrogen_Bond_Acceptor_Count	4
49857672	Undefined_Bond_Stereo_Count	0
94791	TPSA	40.6
13087254	Undefined_Atom_Stereo_Count	1
148191	Rotatable_Bond_Count	11
71583274	Non-hydrogen_Atom_Count	33
91463	Tautomer_Count	1
57185798	Exact_Mass	112.052429494
129600762	Total_Formal_Charge	0
6956	Defined_Atom_Stereo_Count	0
281478	Mono_Isotopic_Weight	84.057514874
440560	Covalent_Unit_Count	1
439586	Tautomer_Count	1
533876	Covalent_Unit_Count	1
19349372	Exact_Mass	85.089149355
73759973	Rotatable_Bond_Count	1
134824657	Exact_Mass	529.21726296
24723	Isotope_Atom_Count	0
5284537	Hydrogen_Bond_Acceptor_Count	3
29254	Hydrogen_Bond_Acceptor_Count	2
71361084	Defined_Bond_Stereo_Count	0
18730066	XLogP3-AA	2.7
3603	Structure_Complexity	363
145755	Tautomer_Count	9
84788	Total_Formal_Charge	0
16665100	Rotatable_Bond_Count	11
436515	Rotatable_Bond_Count	5
5282230	Undefined_Bond_Stereo_Count	0
63853	Hydrogen_Bond_Donor_Count	0
15232	Hydrogen_Bond_Acceptor_Count	12
19161	Mono_Isotopic_Weight	326.16304257
13009	Total_Formal_Charge	0
70695760	Undefined_Bond_Stereo_Count	0
20141332	Isotope_Atom_Count	0
42580057	Covalent_Unit_Count	1
57054	TPSA	251
9958995	Structure_Complexity	1310
161764	Structure_Complexity	585
446222	Mono_Isotopic_Weight	133.07389321
71273	Exact_Mass	274.204513457
23666110	Total_Formal_Charge	0
70685868	Hydrogen_Bond_Acceptor_Count	6
11148955	Isotope_Atom_Count	0
25014844	Molecular_Weight	476.6
65923	Isotope_Atom_Count	0
70608	Total_Formal_Charge	0
14989482	TPSA	20.2
15145	Mono_Isotopic_Weight	84.057514874
16213546	Mono_Isotopic_Weight	180.06338810
23533635	Structure_Complexity	99.8
398740	Defined_Bond_Stereo_Count	0
40703	Mono_Isotopic_Weight	589.14023
57519510	Defined_Bond_Stereo_Count	0
4741	TPSA	696
77737505	Hydrogen_Bond_Acceptor_Count	1
153	Defined_Bond_Stereo_Count	0
4678	Undefined_Bond_Stereo_Count	0
674917	TPSA	38.3
20320770	Hydrogen_Bond_Donor_Count	0
8520	Non-hydrogen_Atom_Count	25
2238	Covalent_Unit_Count	1
61109	Covalent_Unit_Count	1
9866767	Defined_Bond_Stereo_Count	0
3080646	Hydrogen_Bond_Donor_Count	2
54949	Hydrogen_Bond_Acceptor_Count	15
22266611	Defined_Bond_Stereo_Count	0
155613706	Non-hydrogen_Atom_Count	8
53914181	Exact_Mass	94.041864811
67258919	Undefined_Atom_Stereo_Count	0
14269	Molecular_Weight	102.13
80230	Molecular_Weight	160.14
5311010	Rotatable_Bond_Count	18
101554	Rotatable_Bond_Count	1
57328385	XLogP3-AA	4.9
99025	Mono_Isotopic_Weight	228.0454260
11148955	Hydrogen_Bond_Donor_Count	0
78358485	Rotatable_Bond_Count	5
7811	Molecular_Weight	124.21
18606	TPSA	60.7
6973628	XLogP3-AA	1.6
66545764	Rotatable_Bond_Count	8
100933147	Defined_Bond_Stereo_Count	0
46783232	Covalent_Unit_Count	2
1013432	TPSA	109
86298	Defined_Bond_Stereo_Count	0
67899	Undefined_Atom_Stereo_Count	0
10145345	Hydrogen_Bond_Donor_Count	0
35801	TPSA	0
60678	Covalent_Unit_Count	3
51529	Defined_Atom_Stereo_Count	0
268473	Isotope_Atom_Count	0
24967621	Exact_Mass	481.23654186
131411054	Hydrogen_Bond_Acceptor_Count	1
69388	Exact_Mass	98.036779430
5408	Rotatable_Bond_Count	0
2109	Molecular_Weight	147.13
54871	Covalent_Unit_Count	2
55288256	Covalent_Unit_Count	1
44383	Structure_Complexity	544
132279451	TPSA	91
13349550	Defined_Atom_Stereo_Count	0
129629387	Exact_Mass	342.11621151
47289	Hydrogen_Bond_Acceptor_Count	5
67108333	Total_Formal_Charge	0
8249	TPSA	103
42037	Defined_Atom_Stereo_Count	0
2316	Defined_Atom_Stereo_Count	0
3430	Isotope_Atom_Count	0
320	Isotope_Atom_Count	0
62705686	Isotope_Atom_Count	0
3012	Rotatable_Bond_Count	5
3068840	Non-hydrogen_Atom_Count	27
9026	Covalent_Unit_Count	1
6451155	Covalent_Unit_Count	1
3639	Non-hydrogen_Atom_Count	17
584645	Isotope_Atom_Count	0
6957673	XLogP3-AA	3.3
35020890	Molecular_Weight	334.4
4640	Defined_Atom_Stereo_Count	0
5311010	Structure_Complexity	1770
219077	TPSA	43.9
81466	Defined_Atom_Stereo_Count	0
638678	Defined_Bond_Stereo_Count	0
6975516	Covalent_Unit_Count	1
83242	XLogP3	2.4
66599893	Non-hydrogen_Atom_Count	34
16757820	TPSA	141
141814359	Hydrogen_Bond_Acceptor_Count	2
144915389	Rotatable_Bond_Count	0
118193	Molecular_Weight	128.21
23897	Mono_Isotopic_Weight	276.183778013
122669	Tautomer_Count	1
329983	TPSA	13.1
3153	Covalent_Unit_Count	1
118972006	Rotatable_Bond_Count	1
119185	Hydrogen_Bond_Acceptor_Count	10
71587897	Non-hydrogen_Atom_Count	37
59072033	Mono_Isotopic_Weight	416.32904526
63624	Exact_Mass	480.0989181
13721252	Defined_Bond_Stereo_Count	0
44565798	XLogP3-AA	1.7
13117013	Covalent_Unit_Count	1
71456722	Non-hydrogen_Atom_Count	35
4770	Undefined_Bond_Stereo_Count	0
95270	Total_Formal_Charge	0
5355732	Exact_Mass	81.057849228
127928	Total_Formal_Charge	0
735319	TPSA	17.3
3733	Non-hydrogen_Atom_Count	50
444036	Mono_Isotopic_Weight	500.18442974
25323	Structure_Complexity	139
12807	Isotope_Atom_Count	0
92822	TPSA	49.7
6474109	Undefined_Atom_Stereo_Count	0
12556661	Hydrogen_Bond_Acceptor_Count	0
107282	Hydrogen_Bond_Donor_Count	0
139062656	Undefined_Bond_Stereo_Count	0
445694	Exact_Mass	164.094963011
16052011	Molecular_Weight	1329.5
14264	Undefined_Bond_Stereo_Count	0
26248	Hydrogen_Bond_Acceptor_Count	8
52944340	Total_Formal_Charge	0
8249	Defined_Bond_Stereo_Count	0
12285886	Isotope_Atom_Count	1
12207122	Undefined_Bond_Stereo_Count	0
135409409	Hydrogen_Bond_Acceptor_Count	6
60575	Exact_Mass	370.20565627
7469	Hydrogen_Bond_Donor_Count	1
69333963	Exact_Mass	112.063662883
122174240	Structure_Complexity	529
159283	Isotope_Atom_Count	0
53775252	Covalent_Unit_Count	1
11375895	Undefined_Bond_Stereo_Count	0
34328	Covalent_Unit_Count	1
142798	Mono_Isotopic_Weight	108.093900383
71622	Defined_Atom_Stereo_Count	0
134692366	Exact_Mass	413.22743373
129631271	Undefined_Atom_Stereo_Count	0
12951370	Non-hydrogen_Atom_Count	8
126969152	Defined_Bond_Stereo_Count	0
991	TPSA	106
134689013	Mono_Isotopic_Weight	332.23514488
18952630	Defined_Bond_Stereo_Count	0
5392139	Hydrogen_Bond_Donor_Count	1
2312	Undefined_Atom_Stereo_Count	0
57395447	TPSA	93.8
98051220	Defined_Bond_Stereo_Count	0
69949	Non-hydrogen_Atom_Count	8
13795047	Isotope_Atom_Count	0
183	Hydrogen_Bond_Donor_Count	9
22013662	Isotope_Atom_Count	0
22580	Defined_Atom_Stereo_Count	0
12866541	Exact_Mass	109.052763847
6099	Total_Formal_Charge	0
19938785	Exact_Mass	112.088815002
5282340	Tautomer_Count	1
181583	Defined_Bond_Stereo_Count	0
3797915	Rotatable_Bond_Count	0
59502	Molecular_Weight	340.5
54574891	Mono_Isotopic_Weight	99.104799419
46911956	Total_Formal_Charge	0
53999929	Isotope_Atom_Count	0
43997	Defined_Bond_Stereo_Count	0
12580406	Hydrogen_Bond_Donor_Count	2
1470718	Mono_Isotopic_Weight	315.08193293
18793	Structure_Complexity	166
21701560	Undefined_Bond_Stereo_Count	0
53796209	Exact_Mass	102.068079557
23677974	Isotope_Atom_Count	0
60196274	Molecular_Weight	344.8
2955	Total_Formal_Charge	0
14813	Undefined_Atom_Stereo_Count	0
7569	Non-hydrogen_Atom_Count	29
107767	Mono_Isotopic_Weight	666.44718533
107977	Structure_Complexity	110
13472	Defined_Bond_Stereo_Count	0
6427110	XLogP3-AA	4.6
13123	Defined_Bond_Stereo_Count	0
155346	Molecular_Weight	287.36
6197820	Hydrogen_Bond_Acceptor_Count	6
92275	Covalent_Unit_Count	1
91778	Rotatable_Bond_Count	4
66612869	Exact_Mass	114.104465066
12385064	Non-hydrogen_Atom_Count	8
921599	Exact_Mass	229.121512110
969105	Structure_Complexity	423
5460467	Exact_Mass	9.0121831
15166013	Mono_Isotopic_Weight	112.074896272
40273	Total_Formal_Charge	0
35525	Exact_Mass	166.110613074
53420035	Rotatable_Bond_Count	0
12299881	Defined_Atom_Stereo_Count	4
6433082	Exact_Mass	251.1288213
24214097	Non-hydrogen_Atom_Count	11
34526	Hydrogen_Bond_Donor_Count	0
398592	XLogP3-AA	1.2
36933	Undefined_Atom_Stereo_Count	0
4264	Hydrogen_Bond_Donor_Count	4
27622	Non-hydrogen_Atom_Count	11
45076013	Total_Formal_Charge	0
10336591	Defined_Bond_Stereo_Count	0
5281525	Total_Formal_Charge	0
59296010	XLogP3-AA	3.3
141630	Defined_Atom_Stereo_Count	0
3342768	Hydrogen_Bond_Acceptor_Count	13
11313	Rotatable_Bond_Count	5
2724144	Molecular_Weight	89.56
81561	Molecular_Weight	160.21
441233	Defined_Atom_Stereo_Count	1
11700183	Hydrogen_Bond_Donor_Count	5
169794	Molecular_Weight	630.9
65728	Defined_Bond_Stereo_Count	0
20394920	Exact_Mass	115.063328530
135013065	Defined_Atom_Stereo_Count	0
13766702	TPSA	9.2
842090	Defined_Bond_Stereo_Count	0
4224	Covalent_Unit_Count	1
134854766	Rotatable_Bond_Count	0
76376	Undefined_Bond_Stereo_Count	0
8877	Structure_Complexity	228
714	Undefined_Atom_Stereo_Count	5
8077	Defined_Bond_Stereo_Count	0
14930278	TPSA	29.5
43976	Covalent_Unit_Count	1
23783	TPSA	9.2
11040	Rotatable_Bond_Count	2
5336	Undefined_Bond_Stereo_Count	0
66569	Covalent_Unit_Count	1
120081	TPSA	76.7
4387	Exact_Mass	216.15862589
5460188	Defined_Atom_Stereo_Count	6
65718	Undefined_Bond_Stereo_Count	0
16058629	Mono_Isotopic_Weight	414.96223
146681110	Covalent_Unit_Count	1
68653619	Non-hydrogen_Atom_Count	17
50614	Hydrogen_Bond_Donor_Count	4
55290897	Mono_Isotopic_Weight	93.021463719
57399125	Non-hydrogen_Atom_Count	29
10898949	Hydrogen_Bond_Donor_Count	2
8336	Undefined_Atom_Stereo_Count	0
10290754	Total_Formal_Charge	0
528	Non-hydrogen_Atom_Count	11
84954	Covalent_Unit_Count	1
34697	Total_Formal_Charge	0
7499	Non-hydrogen_Atom_Count	8
77058	XLogP3-AA	3.2
55582	Defined_Atom_Stereo_Count	0
56801	Exact_Mass	603.31960277
91711338	Hydrogen_Bond_Acceptor_Count	2
5288670	Covalent_Unit_Count	1
5978	Structure_Complexity	1750
40466974	Undefined_Bond_Stereo_Count	0
154511	Total_Formal_Charge	0
68015385	Rotatable_Bond_Count	4
7673	Mono_Isotopic_Weight	135.01427034
102004607	Molecular_Weight	1229.3
137837	Defined_Atom_Stereo_Count	0
21262	Total_Formal_Charge	0
489	Hydrogen_Bond_Acceptor_Count	9
126667515	Rotatable_Bond_Count	2
5284341	Molecular_Weight	205.68
65464	Structure_Complexity	344
9719	Non-hydrogen_Atom_Count	22
681	Structure_Complexity	119
7181	Hydrogen_Bond_Donor_Count	2
44925	Tautomer_Count	1
146993530	Molecular_Weight	108.18
561193	XLogP3-AA	1.3
4580	Hydrogen_Bond_Acceptor_Count	6
5353831	Defined_Atom_Stereo_Count	0
5905	Total_Formal_Charge	0
124005380	Defined_Bond_Stereo_Count	0
65701	Defined_Atom_Stereo_Count	0
17109	Tautomer_Count	1
449381	Hydrogen_Bond_Acceptor_Count	5
57286108	Undefined_Atom_Stereo_Count	0
1162	Structure_Complexity	1280
5254725	XLogP3-AA	1.9
23690449	Tautomer_Count	2
3086257	TPSA	152
6443013	Non-hydrogen_Atom_Count	21
53667465	Hydrogen_Bond_Donor_Count	0
5363527	Structure_Complexity	185
20624744	Total_Formal_Charge	0
3710788	Covalent_Unit_Count	1
53316379	Defined_Bond_Stereo_Count	0
6321422	Hydrogen_Bond_Donor_Count	0
443944	Defined_Bond_Stereo_Count	0
77603	TPSA	18.5
457928	TPSA	101
86399	Structure_Complexity	191
84715999	Structure_Complexity	105
180288	Isotope_Atom_Count	0
6971042	Hydrogen_Bond_Donor_Count	4
31134	Structure_Complexity	405
67564795	Rotatable_Bond_Count	1
12066	Mono_Isotopic_Weight	206.9489983
19143	Rotatable_Bond_Count	2
12874682	Hydrogen_Bond_Acceptor_Count	2
6956367	Isotope_Atom_Count	0
36034	Hydrogen_Bond_Acceptor_Count	3
86956	Covalent_Unit_Count	1
69912	Covalent_Unit_Count	1
30552	Tautomer_Count	1
128882	Mono_Isotopic_Weight	506.99574658
3823887	Structure_Complexity	1700
25243853	Molecular_Weight	436.5
53394675	Rotatable_Bond_Count	1
16212317	Tautomer_Count	1
10395255	Defined_Bond_Stereo_Count	1
59050045	Total_Formal_Charge	0
8340	Hydrogen_Bond_Acceptor_Count	5
3137736	Hydrogen_Bond_Donor_Count	1
12757	Mono_Isotopic_Weight	110.109550447
247771	Exact_Mass	99.104799419
91932	Defined_Atom_Stereo_Count	0
54099616	Defined_Atom_Stereo_Count	0
123800109	Undefined_Atom_Stereo_Count	5
58323974	Non-hydrogen_Atom_Count	8
11270783	Defined_Bond_Stereo_Count	0
11137101	Undefined_Atom_Stereo_Count	0
74229	Defined_Bond_Stereo_Count	0
6441094	Exact_Mass	1041.58722955
83224	Mono_Isotopic_Weight	214.15689456
136351428	Defined_Atom_Stereo_Count	0
893562	Mono_Isotopic_Weight	286.9574550
46631	Total_Formal_Charge	0
6435463	Hydrogen_Bond_Acceptor_Count	2
8194	Total_Formal_Charge	0
45934213	Undefined_Bond_Stereo_Count	0
57054055	Isotope_Atom_Count	0
60196314	Defined_Atom_Stereo_Count	1
5284	XLogP3-AA	7
84339	Defined_Bond_Stereo_Count	0
467	Undefined_Atom_Stereo_Count	3
5368821	Tautomer_Count	1
9993	Covalent_Unit_Count	1
12560725	Defined_Bond_Stereo_Count	0
42884	Exact_Mass	370.1811912
23418	Mono_Isotopic_Weight	274.14297583
79154	Hydrogen_Bond_Acceptor_Count	2
91419082	Undefined_Atom_Stereo_Count	1
15558252	Defined_Bond_Stereo_Count	0
13783	Tautomer_Count	1
177085	XLogP3-AA	2.2
77129	Structure_Complexity	46.8
22335779	XLogP3-AA	0
57404185	Covalent_Unit_Count	2
115237	Isotope_Atom_Count	0
426	Isotope_Atom_Count	0
67125	Undefined_Atom_Stereo_Count	0
12431582	XLogP3-AA	1.6
3032306	Defined_Atom_Stereo_Count	0
12534276	Molecular_Weight	112.17
13112141	Rotatable_Bond_Count	0
14297259	Defined_Bond_Stereo_Count	0
8035	Hydrogen_Bond_Acceptor_Count	2
1438038	Undefined_Bond_Stereo_Count	0
45167	Rotatable_Bond_Count	4
2456	Isotope_Atom_Count	0
9548816	TPSA	102
3769881	Rotatable_Bond_Count	3
14791281	Mono_Isotopic_Weight	180.115029749
6918331	Mono_Isotopic_Weight	432.18854386
12415	Undefined_Atom_Stereo_Count	0
129627537	Mono_Isotopic_Weight	1354.567399
84930	Molecular_Weight	202.25
18335911	Structure_Complexity	109
5327065	Isotope_Atom_Count	0
22753607	Rotatable_Bond_Count	1
70480850	Non-hydrogen_Atom_Count	8
69085357	Rotatable_Bond_Count	4
4420	Molecular_Weight	380.78
65300	TPSA	29.1
5709759	Tautomer_Count	1
65630	Molecular_Weight	231.29
33184	Mono_Isotopic_Weight	74.048012819
12613538	Total_Formal_Charge	0
10448	Structure_Complexity	23.5
131801066	Exact_Mass	774.17565762
67621	Structure_Complexity	209
56055	Undefined_Bond_Stereo_Count	1
79846	Hydrogen_Bond_Acceptor_Count	3
14352519	Hydrogen_Bond_Acceptor_Count	2
17795	Hydrogen_Bond_Acceptor_Count	0
9690	XLogP3	4.7
9576412	Isotope_Atom_Count	0
83528703	Undefined_Atom_Stereo_Count	0
11180	Defined_Atom_Stereo_Count	0
12052005	Covalent_Unit_Count	1
3955599	Isotope_Atom_Count	0
9812759	TPSA	2
135992838	Rotatable_Bond_Count	2
198706	Hydrogen_Bond_Acceptor_Count	5
124449	Structure_Complexity	505
65552	Molecular_Weight	747.83
528856	TPSA	75.9
71571512	Mono_Isotopic_Weight	527.23263824
14050	Undefined_Atom_Stereo_Count	1
67058	TPSA	55
56846451	Total_Formal_Charge	0
12339043	Total_Formal_Charge	0
164695	Non-hydrogen_Atom_Count	20
26136	XLogP3-AA	1.7
61341	TPSA	30.2
403646	Hydrogen_Bond_Acceptor_Count	3
4054588	Undefined_Bond_Stereo_Count	1
8106	XLogP3	3.3
5281168	Hydrogen_Bond_Acceptor_Count	1
25209	Defined_Bond_Stereo_Count	0
18324766	Undefined_Bond_Stereo_Count	0
5489948	Hydrogen_Bond_Acceptor_Count	13
2473	Defined_Bond_Stereo_Count	0
12333	Rotatable_Bond_Count	2
4825	Hydrogen_Bond_Acceptor_Count	5
14454	Covalent_Unit_Count	1
5288173	Exact_Mass	327.256214676
16134409	Isotope_Atom_Count	0
6433164	Hydrogen_Bond_Donor_Count	0
133109195	Structure_Complexity	1150
1792	Defined_Bond_Stereo_Count	0
22939741	Undefined_Bond_Stereo_Count	0
2580	Rotatable_Bond_Count	6
6919	Mono_Isotopic_Weight	112.016043985
12724530	Total_Formal_Charge	0
126290	Tautomer_Count	2
13000487	Defined_Atom_Stereo_Count	0
74764146	Undefined_Bond_Stereo_Count	0
86015488	Structure_Complexity	153
10271170	Molecular_Weight	380.8
11566378	Hydrogen_Bond_Donor_Count	2
4047	Rotatable_Bond_Count	5
5466139	Covalent_Unit_Count	1
180081	XLogP3-AA	2.8
3086173	Rotatable_Bond_Count	6
3958	Molecular_Weight	321.2
5126	Rotatable_Bond_Count	1
149697	Isotope_Atom_Count	0
193994	Undefined_Bond_Stereo_Count	0
9765	Rotatable_Bond_Count	5
146682056	Undefined_Bond_Stereo_Count	0
946	Covalent_Unit_Count	1
65360	Molecular_Weight	207.25
102515495	Structure_Complexity	285
19347790	Rotatable_Bond_Count	0
20745	Hydrogen_Bond_Acceptor_Count	1
27528	TPSA	54.4
91399390	Isotope_Atom_Count	0
44033	TPSA	16.6
12351158	Isotope_Atom_Count	0
30541	Isotope_Atom_Count	0
58935140	TPSA	29.1
129797954	Structure_Complexity	153
129849	XLogP3-AA	11.6
129865974	XLogP3-AA	10.1
71456722	Covalent_Unit_Count	1
11986122	Mono_Isotopic_Weight	230.003015
102366731	Rotatable_Bond_Count	3
547696	XLogP3-AA	1.6
91434	Rotatable_Bond_Count	4
5374527	XLogP3-AA	3.5
15139	Isotope_Atom_Count	0
68705	Undefined_Bond_Stereo_Count	0
50128	Covalent_Unit_Count	2
94247	Non-hydrogen_Atom_Count	12
117762967	Non-hydrogen_Atom_Count	15
38706	Defined_Atom_Stereo_Count	0
13401996	Undefined_Atom_Stereo_Count	0
34665	Isotope_Atom_Count	0
102533943	Hydrogen_Bond_Donor_Count	2
23305305	Defined_Atom_Stereo_Count	14
3246242	TPSA	62.3
643786	Hydrogen_Bond_Donor_Count	0
37678	Molecular_Weight	350.5
12697736	Mono_Isotopic_Weight	102.068079557
167685	Rotatable_Bond_Count	5
15204529	Rotatable_Bond_Count	0
44719499	Exact_Mass	199.10085685
46783782	Non-hydrogen_Atom_Count	57
81485	TPSA	99.9
86916	Hydrogen_Bond_Acceptor_Count	3
74710	Non-hydrogen_Atom_Count	9
6433554	Undefined_Bond_Stereo_Count	0
26969	Hydrogen_Bond_Acceptor_Count	1
44629653	Exact_Mass	166.123189134
35801	Total_Formal_Charge	0
147201521	TPSA	3
84975	Structure_Complexity	40.2
248370	Undefined_Atom_Stereo_Count	0
70163	Defined_Bond_Stereo_Count	0
152119	Hydrogen_Bond_Acceptor_Count	4
5830	Rotatable_Bond_Count	3
17948	Undefined_Atom_Stereo_Count	0
945	XLogP3-AA	0.2
10701796	Rotatable_Bond_Count	1
443942	Isotope_Atom_Count	0
16133793	Isotope_Atom_Count	0
12947	Undefined_Bond_Stereo_Count	0
26009888	Rotatable_Bond_Count	0
139292146	Total_Formal_Charge	0
64054	Defined_Bond_Stereo_Count	0
5281771	Undefined_Bond_Stereo_Count	0
39507	Tautomer_Count	6
692450	Covalent_Unit_Count	1
11974	Exact_Mass	469.97760
1918	Defined_Atom_Stereo_Count	0
171378	Molecular_Weight	146.18
2695	Hydrogen_Bond_Acceptor_Count	7
118984445	Hydrogen_Bond_Acceptor_Count	91
1095	Rotatable_Bond_Count	3
71584165	Total_Formal_Charge	0
9460	Tautomer_Count	1
138107735	Structure_Complexity	756
53361968	Isotope_Atom_Count	0
45488113	TPSA	58.7
22057009	Hydrogen_Bond_Acceptor_Count	4
16315	Defined_Bond_Stereo_Count	0
96543	Undefined_Bond_Stereo_Count	0
49865859	Total_Formal_Charge	0
157820065	Total_Formal_Charge	0
22979	Exact_Mass	487.11279790
1795	Molecular_Weight	299.76
1241420	Mono_Isotopic_Weight	173.10519334
53677316	Defined_Bond_Stereo_Count	0
67970	Hydrogen_Bond_Acceptor_Count	2
18199	Hydrogen_Bond_Acceptor_Count	2
3782034	Rotatable_Bond_Count	0
11601544	Hydrogen_Bond_Acceptor_Count	2
57399909	Total_Formal_Charge	0
10345790	Molecular_Weight	498.3
15208461	Covalent_Unit_Count	1
17694	Rotatable_Bond_Count	5
3299	Total_Formal_Charge	0
32051	Structure_Complexity	0
409	XLogP3-AA	0.7
657237	Defined_Bond_Stereo_Count	0
5288672	Molecular_Weight	359.8
3647	Defined_Bond_Stereo_Count	0
140112497	Covalent_Unit_Count	1
9568	Undefined_Atom_Stereo_Count	1
24706	Structure_Complexity	1110
158980	Hydrogen_Bond_Donor_Count	2
21669	Rotatable_Bond_Count	3
24181476	Defined_Atom_Stereo_Count	0
135410914	Hydrogen_Bond_Acceptor_Count	2
13293131	Exact_Mass	109.052763847
3002	Mono_Isotopic_Weight	735.14313908
3357	Molecular_Weight	369.34
45359105	Defined_Atom_Stereo_Count	0
7155	Structure_Complexity	242
57057513	Mono_Isotopic_Weight	112.052429494
524270	Hydrogen_Bond_Acceptor_Count	2
656685	Structure_Complexity	665
56962313	Mono_Isotopic_Weight	443.19573968
12255457	Undefined_Bond_Stereo_Count	0
25171662	XLogP3-AA	2.1
31353	Defined_Atom_Stereo_Count	0
11607904	Undefined_Atom_Stereo_Count	0
147089	Non-hydrogen_Atom_Count	17
5460765	Hydrogen_Bond_Donor_Count	3
89364481	Undefined_Atom_Stereo_Count	3
433294	Undefined_Atom_Stereo_Count	0
85763	TPSA	60.7
71459762	Isotope_Atom_Count	0
3893	Molecular_Weight	200.32
140050359	Non-hydrogen_Atom_Count	8
441348	Isotope_Atom_Count	0
11662332	Undefined_Bond_Stereo_Count	0
21484	Hydrogen_Bond_Donor_Count	1
264891	Rotatable_Bond_Count	11
15496999	Non-hydrogen_Atom_Count	7
10880751	Hydrogen_Bond_Acceptor_Count	5
18087	Rotatable_Bond_Count	0
163285334	XLogP3-AA	5.1
20387223	Non-hydrogen_Atom_Count	7
123816	Isotope_Atom_Count	0
3117	Defined_Atom_Stereo_Count	0
118010650	Structure_Complexity	77.7
91168961	Total_Formal_Charge	0
11852	Structure_Complexity	150
20379467	Covalent_Unit_Count	1
135018	Defined_Atom_Stereo_Count	3
978	TPSA	63.3
688323	Undefined_Bond_Stereo_Count	0
81821	Undefined_Bond_Stereo_Count	0
24916993	Undefined_Bond_Stereo_Count	0
637760	Isotope_Atom_Count	0
53317503	Mono_Isotopic_Weight	424.0859706
9867605	Molecular_Weight	435.2
92626	TPSA	20.2
53378550	Defined_Bond_Stereo_Count	0
151173	Undefined_Bond_Stereo_Count	0
5353959	Hydrogen_Bond_Donor_Count	4
78837	Structure_Complexity	46.1
33166	Isotope_Atom_Count	0
1364	Hydrogen_Bond_Acceptor_Count	8
5282350	Covalent_Unit_Count	1
134664	Non-hydrogen_Atom_Count	11
968472	Exact_Mass	328.14230712
23724878	Mono_Isotopic_Weight	1814.6085580
92626	XLogP3-AA	3.7
637760	Hydrogen_Bond_Donor_Count	0
11962412	Hydrogen_Bond_Acceptor_Count	5
130545	Tautomer_Count	1
4679	Hydrogen_Bond_Acceptor_Count	9
57398166	Undefined_Bond_Stereo_Count	0
7907	Defined_Atom_Stereo_Count	0
73442840	Isotope_Atom_Count	6
72402	Exact_Mass	363.12190603
5577	TPSA	69.3
5289006	TPSA	124
6440180	Exact_Mass	429.06010
14392758	Mono_Isotopic_Weight	344.23514488
10197668	Total_Formal_Charge	0
104806	Covalent_Unit_Count	1
11060	Undefined_Atom_Stereo_Count	0
55255930	Defined_Atom_Stereo_Count	0
59295969	TPSA	145
53846425	Hydrogen_Bond_Acceptor_Count	3
446320	Tautomer_Count	3
18771155	Structure_Complexity	304
129533	Exact_Mass	254.09027155
21058	Defined_Bond_Stereo_Count	0
65718	Undefined_Atom_Stereo_Count	0
9917021	Isotope_Atom_Count	0
10197954	TPSA	110
140653	Undefined_Atom_Stereo_Count	1
75776	Tautomer_Count	1
26444	Total_Formal_Charge	0
1674	Isotope_Atom_Count	0
1130	Isotope_Atom_Count	0
87569740	Undefined_Atom_Stereo_Count	0
42608159	Rotatable_Bond_Count	1
23675258	Covalent_Unit_Count	2
637894	Non-hydrogen_Atom_Count	7
6433151	TPSA	90.7
9828138	Hydrogen_Bond_Donor_Count	3
53432	TPSA	15.6
24826799	Molecular_Weight	532.6
26816	Hydrogen_Bond_Donor_Count	1
9874175	TPSA	123
76460	Exact_Mass	714.51294241
68157	Tautomer_Count	1
5283316	Covalent_Unit_Count	1
4051541	Hydrogen_Bond_Donor_Count	1
16219444	TPSA	159
9884817	Defined_Bond_Stereo_Count	0
398596	Undefined_Bond_Stereo_Count	0
4117	Structure_Complexity	138
110635	Defined_Atom_Stereo_Count	2
57469	Undefined_Atom_Stereo_Count	0
16126898	Mono_Isotopic_Weight	524.2765481
3363251	Hydrogen_Bond_Acceptor_Count	2
2807	Hydrogen_Bond_Acceptor_Count	6
518234	XLogP3-AA	1.5
23709629	Isotope_Atom_Count	0
151473	Non-hydrogen_Atom_Count	14
76960246	Molecular_Weight	449.16
58679341	Mono_Isotopic_Weight	113.084063974
12279	Tautomer_Count	1
6165447	Covalent_Unit_Count	1
5281066	Non-hydrogen_Atom_Count	38
15950	Undefined_Atom_Stereo_Count	0
6918649	Hydrogen_Bond_Donor_Count	2
2752638	Defined_Bond_Stereo_Count	0
22227528	Defined_Atom_Stereo_Count	0
524667	Structure_Complexity	62.4
90658468	TPSA	72.8
5354486	Hydrogen_Bond_Donor_Count	2
10297008	Hydrogen_Bond_Acceptor_Count	9
2723598	Tautomer_Count	2
16219580	Mono_Isotopic_Weight	180.06338810
486543	Structure_Complexity	880
6915944	Mono_Isotopic_Weight	395.03581088
11440492	Structure_Complexity	441
13357	Tautomer_Count	1
71296943	Mono_Isotopic_Weight	391.23587315
124087	Hydrogen_Bond_Donor_Count	1
43233	TPSA	49.2
9806063	Covalent_Unit_Count	4
84002	Hydrogen_Bond_Donor_Count	3
13224	Non-hydrogen_Atom_Count	12
97065	Molecular_Weight	226.4
283242	XLogP3	2.1
642781	Covalent_Unit_Count	1
10746	Undefined_Atom_Stereo_Count	2
656980	Structure_Complexity	146
543706	Covalent_Unit_Count	1
95483	XLogP3-AA	1.2
6029	Isotope_Atom_Count	0
22718913	Hydrogen_Bond_Donor_Count	0
33013	Rotatable_Bond_Count	5
14058558	Mono_Isotopic_Weight	346.23080839
6366726	Mono_Isotopic_Weight	368.18100131
107327	Isotope_Atom_Count	0
153884978	Rotatable_Bond_Count	2
5462355	Total_Formal_Charge	0
17845026	Total_Formal_Charge	0
14359030	Molecular_Weight	116.11
1417	Hydrogen_Bond_Donor_Count	0
81629	Undefined_Atom_Stereo_Count	0
155008	Tautomer_Count	809
7790	Rotatable_Bond_Count	11
264090	TPSA	51.8
74736	Defined_Bond_Stereo_Count	0
108850	Rotatable_Bond_Count	1
141445129	Non-hydrogen_Atom_Count	8
11137427	Rotatable_Bond_Count	3
688009	Rotatable_Bond_Count	3
39212	Exact_Mass	491.18793473
97391	TPSA	0
15396543	Isotope_Atom_Count	0
13765439	Undefined_Bond_Stereo_Count	0
54372438	XLogP3-AA	0.3
533909	Tautomer_Count	1
54793	Covalent_Unit_Count	1
3153	TPSA	66.5
13264589	Total_Formal_Charge	0
379058	Non-hydrogen_Atom_Count	46
322968	Mono_Isotopic_Weight	185.10519334
139975	Total_Formal_Charge	0
5484444	Rotatable_Bond_Count	4
40472	Molecular_Weight	395.3
9100	Hydrogen_Bond_Donor_Count	0
26660	Hydrogen_Bond_Acceptor_Count	1
46841787	Hydrogen_Bond_Acceptor_Count	13
11624518	Hydrogen_Bond_Acceptor_Count	3
71571512	Non-hydrogen_Atom_Count	36
4567175	Hydrogen_Bond_Donor_Count	1
135409535	Hydrogen_Bond_Donor_Count	4
9576737	Total_Formal_Charge	0
47328	Tautomer_Count	2
54682938	Hydrogen_Bond_Donor_Count	6
31767	Mono_Isotopic_Weight	274.18925731
151446	Defined_Atom_Stereo_Count	4
7992	Tautomer_Count	1
80434	Undefined_Atom_Stereo_Count	0
9830615	Defined_Atom_Stereo_Count	4
101643292	Covalent_Unit_Count	4
54231313	Rotatable_Bond_Count	0
2737289	Mono_Isotopic_Weight	168.06989108
7532	Covalent_Unit_Count	1
91754427	Exact_Mass	726.07603
101694728	Total_Formal_Charge	0
76288	Covalent_Unit_Count	1
24181099	Structure_Complexity	981
5929	Isotope_Atom_Count	0
443310	Defined_Atom_Stereo_Count	0
64950	Hydrogen_Bond_Acceptor_Count	2
42609799	Molecular_Weight	764.5
54515893	Non-hydrogen_Atom_Count	8
5370221	Rotatable_Bond_Count	5
61664	Hydrogen_Bond_Donor_Count	0
7614	Defined_Bond_Stereo_Count	0
137118	Molecular_Weight	96.17
155815	Covalent_Unit_Count	1
54	Hydrogen_Bond_Donor_Count	9
11350	Hydrogen_Bond_Donor_Count	2
3082654	Total_Formal_Charge	0
22628	Rotatable_Bond_Count	1
570673	Non-hydrogen_Atom_Count	15
60196304	TPSA	138
3049771	Exact_Mass	169.085126602
8809	Exact_Mass	334.1005581
19829701	Structure_Complexity	107
45117185	Non-hydrogen_Atom_Count	15
122224053	Hydrogen_Bond_Acceptor_Count	2
3799953	Molecular_Weight	78.16
11543205	Exact_Mass	199.08445790
9889168	Structure_Complexity	252
21139920	Undefined_Bond_Stereo_Count	0
10900	Defined_Bond_Stereo_Count	0
445858	Hydrogen_Bond_Acceptor_Count	4
12997	Total_Formal_Charge	0
23666110	Structure_Complexity	408
9601349	Tautomer_Count	1
93320	Defined_Bond_Stereo_Count	0
673845	Rotatable_Bond_Count	3
135430996	Mono_Isotopic_Weight	565.24712380
668	Isotope_Atom_Count	0
439207	Defined_Atom_Stereo_Count	25
10435916	Non-hydrogen_Atom_Count	35
23672064	Hydrogen_Bond_Donor_Count	2
36663	Rotatable_Bond_Count	3
91410	Defined_Bond_Stereo_Count	0
10883551	Mono_Isotopic_Weight	100.052429494
20710	Non-hydrogen_Atom_Count	22
135408964	Mono_Isotopic_Weight	452.2230560
46780884	Molecular_Weight	562.5
28026	Total_Formal_Charge	0
76223700	Hydrogen_Bond_Donor_Count	1
13676	Undefined_Atom_Stereo_Count	1
79346	Covalent_Unit_Count	1
446727	Isotope_Atom_Count	0
928685	Defined_Bond_Stereo_Count	0
66384	Structure_Complexity	376
846130	Hydrogen_Bond_Donor_Count	2
141545	Non-hydrogen_Atom_Count	8
10219398	Structure_Complexity	160
601293	XLogP3	2.9
440053	Covalent_Unit_Count	1
58168922	Exact_Mass	101.084063974
53436961	TPSA	0
35876	Undefined_Atom_Stereo_Count	0
137264	Defined_Bond_Stereo_Count	0
3040	Molecular_Weight	469.3
30251	TPSA	16.6
87187801	Rotatable_Bond_Count	2
67233953	Exact_Mass	403.10676552
347476	XLogP3-AA	0.9
88269064	Undefined_Atom_Stereo_Count	1
15721166	Rotatable_Bond_Count	1
53685821	Mono_Isotopic_Weight	102.079312947
46228852	Hydrogen_Bond_Acceptor_Count	7
8035	Undefined_Bond_Stereo_Count	0
3927	Molecular_Weight	380.5
3844264	XLogP3-AA	2.1
71311215	Isotope_Atom_Count	0
44348	Undefined_Atom_Stereo_Count	0
44570889	Total_Formal_Charge	0
638228	Hydrogen_Bond_Donor_Count	0
115236	Covalent_Unit_Count	1
29935	Mono_Isotopic_Weight	81.057849228
73075931	Molecular_Weight	378.4
79196	Molecular_Weight	114.19
12594098	Hydrogen_Bond_Donor_Count	0
15596187	Hydrogen_Bond_Acceptor_Count	7
9400	Non-hydrogen_Atom_Count	32
102019	Mono_Isotopic_Weight	161.0607417
26473	Mono_Isotopic_Weight	143.89618
18384	Covalent_Unit_Count	1
77541	Structure_Complexity	164
92406	Non-hydrogen_Atom_Count	20
23668195	Molecular_Weight	150.89
115171944	Hydrogen_Bond_Donor_Count	0
19022	Defined_Atom_Stereo_Count	0
11602	Mono_Isotopic_Weight	82.078250319
12231139	XLogP3-AA	1.2
56626310	Molecular_Weight	226.27
11526696	Hydrogen_Bond_Donor_Count	3
53151	Undefined_Atom_Stereo_Count	0
138813	XLogP3-AA	0.9
15548	Molecular_Weight	357.4
21670561	Structure_Complexity	109
20560	Hydrogen_Bond_Donor_Count	1
71456995	Undefined_Atom_Stereo_Count	0
9892481	Undefined_Atom_Stereo_Count	0
12209629	Molecular_Weight	127.18
5250455	Total_Formal_Charge	0
17412	Defined_Bond_Stereo_Count	0
11088	Exact_Mass	549.98658
57549	Defined_Bond_Stereo_Count	0
698364	Covalent_Unit_Count	1
257	Defined_Atom_Stereo_Count	0
25055	Structure_Complexity	45.8
53626	Tautomer_Count	1
21750168	Exact_Mass	128.047344113
92421	Molecular_Weight	252.26
2103	Undefined_Bond_Stereo_Count	0
23160059	Structure_Complexity	327
148821664	Structure_Complexity	127
18798529	Structure_Complexity	94.2
9963056	Tautomer_Count	5
12732837	Hydrogen_Bond_Acceptor_Count	1
319771	Undefined_Bond_Stereo_Count	0
518874	Isotope_Atom_Count	0
2401	TPSA	78.9
7029	Defined_Atom_Stereo_Count	0
9934507	Molecular_Weight	377.5
57458936	Isotope_Atom_Count	0
138961	Hydrogen_Bond_Acceptor_Count	2
24415	Undefined_Atom_Stereo_Count	0
15367	Mono_Isotopic_Weight	102.05032149
20644245	Molecular_Weight	98.14
9574962	Isotope_Atom_Count	0
147078	TPSA	156
88089033	Molecular_Weight	100.16
90125683	XLogP3-AA	2.4
545963	Rotatable_Bond_Count	53
158980	Hydrogen_Bond_Acceptor_Count	5
151170	Isotope_Atom_Count	0
316975	Defined_Bond_Stereo_Count	0
71773	Exact_Mass	499.16984474
73549	Defined_Atom_Stereo_Count	0
75791	XLogP3	1.2
21930924	Non-hydrogen_Atom_Count	23
7401	TPSA	51.8
99472	Defined_Bond_Stereo_Count	0
577126	TPSA	17.1
96402	Exact_Mass	278.0629059
860	Exact_Mass	278.224580195
70248	Exact_Mass	148.121177757
16213460	Hydrogen_Bond_Acceptor_Count	4
11355449	Exact_Mass	103.099714038
17455	TPSA	74.6
135569018	Undefined_Bond_Stereo_Count	0
42985	Exact_Mass	495.33083616
395450	Hydrogen_Bond_Donor_Count	0
165363410	Isotope_Atom_Count	0
839580	Structure_Complexity	431
12367598	Hydrogen_Bond_Acceptor_Count	2
145521	Isotope_Atom_Count	0
47979	TPSA	119
6538996	Hydrogen_Bond_Acceptor_Count	7
91414	XLogP3-AA	3
524955	Non-hydrogen_Atom_Count	8
39184	TPSA	91.6
78858	Structure_Complexity	199
141395	Isotope_Atom_Count	0
143289	Hydrogen_Bond_Acceptor_Count	5
54352844	Covalent_Unit_Count	1
2737701	Mono_Isotopic_Weight	112.04367633
102248333	Structure_Complexity	1280
58197	Total_Formal_Charge	0
94020	Non-hydrogen_Atom_Count	22
50943013	Isotope_Atom_Count	0
56672298	Total_Formal_Charge	0
53321481	TPSA	96.6
89136345	Structure_Complexity	169
5262	Hydrogen_Bond_Donor_Count	4
8083388	Total_Formal_Charge	0
11524680	Exact_Mass	424.35526001
8087	Rotatable_Bond_Count	4
2816105	Total_Formal_Charge	0
135433604	TPSA	106
527111	Covalent_Unit_Count	1
65114	Exact_Mass	244.08076950
6546	Isotope_Atom_Count	0
60503	Tautomer_Count	2
23054502	Defined_Atom_Stereo_Count	0
185792	Hydrogen_Bond_Donor_Count	1
19787479	Molecular_Weight	82.10
12185	Non-hydrogen_Atom_Count	7
21881641	Exact_Mass	811.47314329
22132384	Covalent_Unit_Count	1
106195	Hydrogen_Bond_Donor_Count	1
20190619	Defined_Bond_Stereo_Count	0
121494085	Hydrogen_Bond_Acceptor_Count	55
6427079	Total_Formal_Charge	0
637520	Hydrogen_Bond_Acceptor_Count	2
53151	Defined_Atom_Stereo_Count	0
10407120	Non-hydrogen_Atom_Count	28
9002	Hydrogen_Bond_Donor_Count	4
59717617	Hydrogen_Bond_Acceptor_Count	3
52576	Covalent_Unit_Count	1
140784	TPSA	0
159982	Molecular_Weight	394.4
91259187	Exact_Mass	94.078250319
11007	Structure_Complexity	123
84647683	Undefined_Atom_Stereo_Count	0
2883	Hydrogen_Bond_Donor_Count	0
6994279	TPSA	60.7
2733660	Hydrogen_Bond_Donor_Count	0
122152	Exact_Mass	581.07329
57183917	Defined_Atom_Stereo_Count	0
6171	TPSA	70.4
15771	Tautomer_Count	1
43539930	Non-hydrogen_Atom_Count	8
20438510	Exact_Mass	98.084398327
25526	Covalent_Unit_Count	1
56673550	Total_Formal_Charge	0
63958	Defined_Bond_Stereo_Count	0
22024915	Molecular_Weight	391.4
15100753	Hydrogen_Bond_Donor_Count	0
54023535	XLogP3-AA	1.7
721137	Rotatable_Bond_Count	5
22753607	Structure_Complexity	139
53774272	Defined_Bond_Stereo_Count	0
13874664	Covalent_Unit_Count	1
2572037	XLogP3-AA	3.3
11681588	Molecular_Weight	337.4
6908	Undefined_Atom_Stereo_Count	0
14081616	Covalent_Unit_Count	1
20499147	Undefined_Atom_Stereo_Count	1
5903	Mono_Isotopic_Weight	570.25120612
6917868	Undefined_Atom_Stereo_Count	0
2318095	XLogP3-AA	4.3
17473	Defined_Atom_Stereo_Count	9
41037	Exact_Mass	346.0826531
45055483	Covalent_Unit_Count	3
29656	XLogP3-AA	1.7
12648279	Hydrogen_Bond_Donor_Count	0
79083	Tautomer_Count	1
53494972	XLogP3-AA	3.4
57265913	Undefined_Atom_Stereo_Count	2
160439	Undefined_Atom_Stereo_Count	0
7537	Undefined_Bond_Stereo_Count	0
3141	Undefined_Bond_Stereo_Count	0
578	Undefined_Atom_Stereo_Count	9
24825264	Covalent_Unit_Count	1
124769752	Hydrogen_Bond_Donor_Count	1
125127452	Isotope_Atom_Count	0
28660	Total_Formal_Charge	0
16692	Molecular_Weight	403.7
177843	Defined_Atom_Stereo_Count	0
3482	Mono_Isotopic_Weight	193.05863707
87409	Defined_Bond_Stereo_Count	0
12695793	Defined_Atom_Stereo_Count	0
6680	Undefined_Bond_Stereo_Count	0
14808025	Mono_Isotopic_Weight	101.047678466
5230	Hydrogen_Bond_Donor_Count	2
56841980	Isotope_Atom_Count	0
6895	Non-hydrogen_Atom_Count	9
139086956	Hydrogen_Bond_Acceptor_Count	6
9548661	TPSA	80.6
123749022	Mono_Isotopic_Weight	86.084398327
45488108	Defined_Atom_Stereo_Count	1
73413214	TPSA	29.5
3795601	Non-hydrogen_Atom_Count	8
141281	Exact_Mass	82.041864811
142834	Undefined_Atom_Stereo_Count	0
11717831	Structure_Complexity	629
87325	Covalent_Unit_Count	1
8306	Defined_Atom_Stereo_Count	0
132892	Undefined_Atom_Stereo_Count	1
13737991	Molecular_Weight	88.11
83860	Undefined_Atom_Stereo_Count	6
8301	Covalent_Unit_Count	1
58411	Total_Formal_Charge	0
9841596	Isotope_Atom_Count	0
4745	Structure_Complexity	388
388136	Hydrogen_Bond_Donor_Count	1
54033886	Isotope_Atom_Count	0
157736	Exact_Mass	309.19400834
20782688	Rotatable_Bond_Count	3
65752	Exact_Mass	287.105862047
72693	Structure_Complexity	1020
108675	TPSA	0
544553	TPSA	43.4
9864202	Structure_Complexity	490
142186967	Hydrogen_Bond_Donor_Count	3
82738	Non-hydrogen_Atom_Count	49
5464076	Non-hydrogen_Atom_Count	32
289847	Defined_Atom_Stereo_Count	0
9906028	Isotope_Atom_Count	0
14044	Mono_Isotopic_Weight	115.063328530
12085	Molecular_Weight	248.02
9903410	Hydrogen_Bond_Acceptor_Count	4
60452	Molecular_Weight	338.4
76583	Isotope_Atom_Count	0
5152	Mono_Isotopic_Weight	415.27225866
16219371	Undefined_Atom_Stereo_Count	5
10080354	TPSA	17.1
16138	Non-hydrogen_Atom_Count	28
30856	Non-hydrogen_Atom_Count	2
25517	Total_Formal_Charge	0
90479798	Structure_Complexity	1940
5147171	Hydrogen_Bond_Acceptor_Count	4
94603	Molecular_Weight	230.3
18950	Tautomer_Count	1
8090	TPSA	26.3
6432469	XLogP3-AA	2.7
18953179	Mono_Isotopic_Weight	626.7775
140511	Defined_Atom_Stereo_Count	0
455579	Undefined_Atom_Stereo_Count	0
13017	Total_Formal_Charge	0
84063983	Hydrogen_Bond_Acceptor_Count	2
53909396	Molecular_Weight	88.11
7146283	Rotatable_Bond_Count	4
63346	Molecular_Weight	350.4
2562	Exact_Mass	333.23039385
156417	Total_Formal_Charge	0
98043897	Total_Formal_Charge	0
79882	TPSA	26
16767378	Molecular_Weight	182.19
3530398	Hydrogen_Bond_Donor_Count	0
71389631	Molecular_Weight	108.14
54422686	Exact_Mass	103.063328530
23725051	Molecular_Weight	291.8
11469055	Covalent_Unit_Count	1
54756	Mono_Isotopic_Weight	160.125200510
27566	Hydrogen_Bond_Donor_Count	0
54152819	Molecular_Weight	109.09
40539	Structure_Complexity	265
156	Mono_Isotopic_Weight	136.074896272
92425	Hydrogen_Bond_Acceptor_Count	5
2156	Non-hydrogen_Atom_Count	31
44318277	Rotatable_Bond_Count	4
82161	Non-hydrogen_Atom_Count	18
75828	Defined_Bond_Stereo_Count	0
16217605	Defined_Bond_Stereo_Count	0
89728	Non-hydrogen_Atom_Count	7
104769	Isotope_Atom_Count	0
25227436	Mono_Isotopic_Weight	428.1727518
21139953	XLogP3-AA	4.9
14264246	Isotope_Atom_Count	0
656867	Hydrogen_Bond_Donor_Count	2
45277565	TPSA	192
5282745	Hydrogen_Bond_Acceptor_Count	2
436497	Isotope_Atom_Count	0
131801164	Rotatable_Bond_Count	7
14767815	XLogP3-AA	0.6
1548994	Undefined_Bond_Stereo_Count	0
547790	Total_Formal_Charge	0
24916941	Undefined_Bond_Stereo_Count	0
885569	Isotope_Atom_Count	0
91231076	Rotatable_Bond_Count	0
126992483	Covalent_Unit_Count	1
7530950	Hydrogen_Bond_Donor_Count	0
147895	Defined_Bond_Stereo_Count	0
13315542	XLogP3-AA	3.1
141395	XLogP3-AA	2.2
3074827	Molecular_Weight	256.34
2003	Hydrogen_Bond_Acceptor_Count	2
6918149	Hydrogen_Bond_Acceptor_Count	10
3976	Total_Formal_Charge	0
20469	Isotope_Atom_Count	0
56843898	Defined_Atom_Stereo_Count	0
13015037	Exact_Mass	250.05244675
89859387	Defined_Atom_Stereo_Count	0
30468	Molecular_Weight	218.08
20693611	Rotatable_Bond_Count	0
3530398	XLogP3-AA	2.8
68437	TPSA	44.8
76966897	Mono_Isotopic_Weight	1608.51510
5284518	Exact_Mass	348.23727013
11332423	Molecular_Weight	103.16
87323	Undefined_Bond_Stereo_Count	0
31195	Isotope_Atom_Count	0
13129	Hydrogen_Bond_Donor_Count	0
12989	Covalent_Unit_Count	1
90472388	Covalent_Unit_Count	2
547308	Undefined_Bond_Stereo_Count	0
6058	Undefined_Atom_Stereo_Count	0
98051216	Hydrogen_Bond_Donor_Count	0
2833	TPSA	83.1
527013	TPSA	23.6
5310993	Undefined_Bond_Stereo_Count	0
60820	Rotatable_Bond_Count	6
18357	Defined_Bond_Stereo_Count	0
51984	Undefined_Atom_Stereo_Count	0
25023837	XLogP3-AA	4.3
139771583	Undefined_Bond_Stereo_Count	0
71707	Mono_Isotopic_Weight	249.172878976
54074602	XLogP3-AA	1.4
23684827	Covalent_Unit_Count	2
25137873	Structure_Complexity	386
62546	Rotatable_Bond_Count	18
88800	Undefined_Bond_Stereo_Count	0
58247682	Defined_Bond_Stereo_Count	0
15131492	TPSA	79.7
14385	Covalent_Unit_Count	1
57507663	Rotatable_Bond_Count	0
12068306	TPSA	0
22138511	Undefined_Bond_Stereo_Count	0
14671559	Undefined_Atom_Stereo_Count	0
90657760	Molecular_Weight	341.4
31326	Undefined_Bond_Stereo_Count	0
547785	Hydrogen_Bond_Donor_Count	3
1717915	Defined_Bond_Stereo_Count	0
183809	Undefined_Bond_Stereo_Count	0
11336492	Mono_Isotopic_Weight	330.0270564
222155	Total_Formal_Charge	0
38521	Exact_Mass	213.147726857
22609888	Hydrogen_Bond_Donor_Count	0
11105	Molecular_Weight	288.77
16911	Undefined_Bond_Stereo_Count	0
6432459	Exact_Mass	303.14705815
102102472	XLogP3-AA	3.2
9938056	Molecular_Weight	574.8
7794	Tautomer_Count	2
92233	Rotatable_Bond_Count	2
66932	TPSA	52.6
501391	Exact_Mass	219.14705815
3141	Defined_Atom_Stereo_Count	0
20680	Tautomer_Count	1
3449165	Covalent_Unit_Count	1
188966	Defined_Bond_Stereo_Count	0
93706	Undefined_Bond_Stereo_Count	0
128549	Covalent_Unit_Count	1
87280032	Defined_Bond_Stereo_Count	0
35	Rotatable_Bond_Count	2
709955	Total_Formal_Charge	0
21893333	Defined_Bond_Stereo_Count	0
67151	Mono_Isotopic_Weight	174.136827821
9554	Isotope_Atom_Count	0
122077	Rotatable_Bond_Count	5
86350	Hydrogen_Bond_Donor_Count	0
7017958	Isotope_Atom_Count	0
2617	Undefined_Bond_Stereo_Count	0
3155	Rotatable_Bond_Count	3
6186	Molecular_Weight	397.4
59110799	Non-hydrogen_Atom_Count	24
699572	Exact_Mass	330.0771200
12441297	Defined_Bond_Stereo_Count	0
122173799	Defined_Bond_Stereo_Count	0
23991	Mono_Isotopic_Weight	131.90415508
64950	Undefined_Bond_Stereo_Count	0
222572	Mono_Isotopic_Weight	364.157563266
43667	Molecular_Weight	214.31
15038	Isotope_Atom_Count	0
67568	Hydrogen_Bond_Acceptor_Count	2
68952	Rotatable_Bond_Count	5
724	Tautomer_Count	1
802	Defined_Bond_Stereo_Count	0
439302	Structure_Complexity	1870
2082	Isotope_Atom_Count	0
46225290	Rotatable_Bond_Count	4
134819291	Isotope_Atom_Count	0
90470403	Exact_Mass	192.0454260
10194504	Exact_Mass	413.1142338
6999977	Undefined_Atom_Stereo_Count	0
3750	Defined_Bond_Stereo_Count	0
98615047	XLogP3-AA	4
13382623	Covalent_Unit_Count	1
1696	Molecular_Weight	202.19
19065046	Defined_Bond_Stereo_Count	0
11378472	Total_Formal_Charge	0
80778	Isotope_Atom_Count	0
3478	Covalent_Unit_Count	1
22169421	XLogP3-AA	6
92237	Non-hydrogen_Atom_Count	20
79484	XLogP3	1.2
71341351	Undefined_Bond_Stereo_Count	1
5451	Non-hydrogen_Atom_Count	35
452949	Defined_Atom_Stereo_Count	8
20472034	Covalent_Unit_Count	1
11049	Undefined_Atom_Stereo_Count	0
12309466	TPSA	54.7
3032537	Hydrogen_Bond_Donor_Count	2
1905	Defined_Atom_Stereo_Count	0
768	Exact_Mass	27.010899036
60702533	Covalent_Unit_Count	1
57284788	Total_Formal_Charge	0
83150	Hydrogen_Bond_Acceptor_Count	3
3318739	Rotatable_Bond_Count	17
72200758	Undefined_Atom_Stereo_Count	0
8323	Tautomer_Count	12
6956382	Covalent_Unit_Count	1
133126830	TPSA	154
5035	TPSA	98.2
20429663	Undefined_Bond_Stereo_Count	0
9609	TPSA	25.3
70723	Isotope_Atom_Count	0
123751374	Molecular_Weight	1202.6
40073	Molecular_Weight	462.5
545624	Isotope_Atom_Count	0
73801102	Non-hydrogen_Atom_Count	7
643208	Rotatable_Bond_Count	6
20578853	Defined_Bond_Stereo_Count	0
118701498	Hydrogen_Bond_Donor_Count	2
2564	Structure_Complexity	267
77084	Hydrogen_Bond_Donor_Count	2
9576410	Undefined_Bond_Stereo_Count	0
139032508	Defined_Atom_Stereo_Count	0
26964	TPSA	148
6011	Undefined_Atom_Stereo_Count	0
173799	Exact_Mass	464.24101810
1390	TPSA	17.8
7712	Hydrogen_Bond_Acceptor_Count	2
140069478	Defined_Atom_Stereo_Count	0
4109	Defined_Bond_Stereo_Count	0
71462102	TPSA	62.2
34170	Structure_Complexity	143
12510987	Exact_Mass	98.084398327
12304613	Mono_Isotopic_Weight	152.120115130
8494	Covalent_Unit_Count	1
9895694	Mono_Isotopic_Weight	642.39203944
51635	Molecular_Weight	269.77
543882	TPSA	9.2
139062015	Covalent_Unit_Count	2
11282394	Hydrogen_Bond_Acceptor_Count	11
22731481	Rotatable_Bond_Count	1
9884833	XLogP3-AA	3.2
5289517	Isotope_Atom_Count	0
121207368	Hydrogen_Bond_Acceptor_Count	1
16769	Total_Formal_Charge	0
9846339	Defined_Bond_Stereo_Count	0
546453	Exact_Mass	494.2235301
253350	Covalent_Unit_Count	1
9013	TPSA	64.4
13574952	Covalent_Unit_Count	1
961	Isotope_Atom_Count	0
135612794	Tautomer_Count	17
5259916	Molecular_Weight	114.10
35330	Hydrogen_Bond_Acceptor_Count	6
2423	Total_Formal_Charge	0
131954673	Exact_Mass	1254.62847470
15567	Hydrogen_Bond_Donor_Count	1
10126799	Rotatable_Bond_Count	5
162268	Hydrogen_Bond_Donor_Count	0
3917956	Molecular_Weight	201.00
7628	Rotatable_Bond_Count	0
16007393	Tautomer_Count	34
8205	Undefined_Bond_Stereo_Count	0
589692	Structure_Complexity	138
5460263	Undefined_Bond_Stereo_Count	0
6070	Hydrogen_Bond_Acceptor_Count	3
57393451	XLogP3-AA	4.5
62305	Hydrogen_Bond_Acceptor_Count	9
522251	Isotope_Atom_Count	0
25010775	Hydrogen_Bond_Donor_Count	3
96929	Exact_Mass	217.110278721
9567	Undefined_Bond_Stereo_Count	0
13783	TPSA	127
35969	TPSA	154
129846869	Defined_Bond_Stereo_Count	0
6603320	Non-hydrogen_Atom_Count	36
85237	Undefined_Bond_Stereo_Count	0
61254	Defined_Bond_Stereo_Count	0
135578046	Total_Formal_Charge	0
3083585	Isotope_Atom_Count	0
9928	Molecular_Weight	327.8
11496886	Undefined_Atom_Stereo_Count	0
58512812	Rotatable_Bond_Count	0
45356929	Molecular_Weight	908.9
14296346	Undefined_Bond_Stereo_Count	0
548678	TPSA	29.1
75674	Defined_Atom_Stereo_Count	0
135398561	Non-hydrogen_Atom_Count	33
213056	Total_Formal_Charge	0
69763756	Covalent_Unit_Count	1
129630422	Hydrogen_Bond_Acceptor_Count	22
12754519	Structure_Complexity	77.7
6992028	Total_Formal_Charge	0
13725871	Undefined_Bond_Stereo_Count	0
10258195	Exact_Mass	611.25260310
90473076	Isotope_Atom_Count	1
89590	Rotatable_Bond_Count	3
83822	Isotope_Atom_Count	0
8674	Mono_Isotopic_Weight	303.97114494
74038637	Hydrogen_Bond_Donor_Count	2
71849	Undefined_Atom_Stereo_Count	0
405908	Exact_Mass	207.04663309
129894493	Structure_Complexity	2220
21635253	Isotope_Atom_Count	0
666418	Exact_Mass	180.07211956
17994152	Molecular_Weight	62.07
3036703	Defined_Bond_Stereo_Count	0
5064	Undefined_Atom_Stereo_Count	4
855423	Hydrogen_Bond_Donor_Count	1
157787142	Hydrogen_Bond_Acceptor_Count	3
119081	Isotope_Atom_Count	0
122197581	Defined_Bond_Stereo_Count	0
704225	Undefined_Atom_Stereo_Count	0
3033842	Undefined_Atom_Stereo_Count	1
38980	Exact_Mass	298.1236763
23263	Mono_Isotopic_Weight	234.090546336
11829369	Hydrogen_Bond_Acceptor_Count	1
157209529	Total_Formal_Charge	0
6883	XLogP3	1.3
117569444	Defined_Atom_Stereo_Count	0
5684	Hydrogen_Bond_Donor_Count	0
4098	Rotatable_Bond_Count	6
12086784	Defined_Bond_Stereo_Count	2
10087998	Non-hydrogen_Atom_Count	24
5569	Defined_Atom_Stereo_Count	0
97886	Molecular_Weight	242.31
5367417	Undefined_Atom_Stereo_Count	0
657	XLogP3-AA	5.3
54369	Non-hydrogen_Atom_Count	24
130028471	Covalent_Unit_Count	1
2756017	Hydrogen_Bond_Donor_Count	1
11396	Molecular_Weight	156.22
2691	Isotope_Atom_Count	0
9325	Undefined_Bond_Stereo_Count	0
9554198	Covalent_Unit_Count	1
712421	Defined_Atom_Stereo_Count	1
12201380	Structure_Complexity	123
805985	Total_Formal_Charge	0
40666	Structure_Complexity	299
3996620	Molecular_Weight	231.23
14116441	Undefined_Atom_Stereo_Count	0
76156	Undefined_Bond_Stereo_Count	0
147594753	Defined_Atom_Stereo_Count	0
44567097	Total_Formal_Charge	0
16719897	Mono_Isotopic_Weight	207.06226
25213416	TPSA	26
65905	Non-hydrogen_Atom_Count	23
53240376	Molecular_Weight	725.7
10240761	Covalent_Unit_Count	1
18004024	Isotope_Atom_Count	0
84647642	Defined_Atom_Stereo_Count	0
54422686	Undefined_Bond_Stereo_Count	0
7869	Mono_Isotopic_Weight	112.125200510
59281	Isotope_Atom_Count	0
8022	Defined_Bond_Stereo_Count	0
23676736	Hydrogen_Bond_Donor_Count	1
123608	Covalent_Unit_Count	2
69336	Covalent_Unit_Count	1
56662035	Non-hydrogen_Atom_Count	37
11619519	TPSA	94.2
36382	Undefined_Atom_Stereo_Count	0
11801	Hydrogen_Bond_Donor_Count	0
10284	Exact_Mass	145.052763847
100934359	Defined_Bond_Stereo_Count	0
11828754	TPSA	324
68549	Defined_Bond_Stereo_Count	0
12771867	Defined_Bond_Stereo_Count	0
47519	Structure_Complexity	54
79474	Undefined_Bond_Stereo_Count	0
11063784	Mono_Isotopic_Weight	214.08412354
55284853	Isotope_Atom_Count	0
69251960	Undefined_Atom_Stereo_Count	0
137117239	Covalent_Unit_Count	1
8970	Structure_Complexity	340
68321854	Isotope_Atom_Count	0
6907	Exact_Mass	511.60339
54041	Tautomer_Count	2
54685141	Total_Formal_Charge	0
17461	Undefined_Atom_Stereo_Count	0
571	Isotope_Atom_Count	0
24401	Covalent_Unit_Count	1
5281107	Isotope_Atom_Count	0
7968	Rotatable_Bond_Count	0
54545615	Exact_Mass	98.073164938
59771	Undefined_Bond_Stereo_Count	0
19077501	Defined_Atom_Stereo_Count	0
65115	Molecular_Weight	301.25
140554	Structure_Complexity	95
8581	Mono_Isotopic_Weight	665.15868546
10913	Undefined_Atom_Stereo_Count	0
3003791	TPSA	112
537329	Undefined_Atom_Stereo_Count	1
44521024	Defined_Bond_Stereo_Count	0
10868	Total_Formal_Charge	0
21447199	Non-hydrogen_Atom_Count	7
11957572	TPSA	212
98279	Mono_Isotopic_Weight	98.073164938
21262	XLogP3	2.6
11968014	Isotope_Atom_Count	0
13561	Total_Formal_Charge	0
14502976	Structure_Complexity	205
3048339	Rotatable_Bond_Count	0
6914657	Hydrogen_Bond_Acceptor_Count	3
56654130	Non-hydrogen_Atom_Count	36
69132	TPSA	26.3
154354742	Rotatable_Bond_Count	3
149784	XLogP3	2.6
142994149	Isotope_Atom_Count	0
6435207	XLogP3-AA	1.3
439456	TPSA	261
39709	Defined_Bond_Stereo_Count	0
68933	Covalent_Unit_Count	1
21798	Exact_Mass	270.10044231
71761627	Defined_Atom_Stereo_Count	0
130025208	XLogP3-AA	1.5
79865794	Mono_Isotopic_Weight	112.088815002
22055193	Covalent_Unit_Count	1
22062700	Defined_Atom_Stereo_Count	0
8554	Molecular_Weight	194.18
54445182	Undefined_Atom_Stereo_Count	3
72196	Mono_Isotopic_Weight	532.16615634
24462	TPSA	88.6
61503	Covalent_Unit_Count	1
28936	Defined_Bond_Stereo_Count	0
68081017	TPSA	20.2
5727	Defined_Bond_Stereo_Count	0
6452830	TPSA	20.2
21806652	Defined_Atom_Stereo_Count	0
91285707	Defined_Bond_Stereo_Count	0
54530170	Isotope_Atom_Count	0
43594	Defined_Atom_Stereo_Count	3
69340843	Mono_Isotopic_Weight	111.079647300
69161653	XLogP3-AA	1.1
101649230	Total_Formal_Charge	0
60196363	Exact_Mass	415.21474379
231010	Molecular_Weight	263.29
10473088	TPSA	98
146013258	Structure_Complexity	77.7
12277679	Rotatable_Bond_Count	2
11587639	TPSA	56.6
139073990	Total_Formal_Charge	0
9862076	Rotatable_Bond_Count	3
53316474	Rotatable_Bond_Count	7
70129	Structure_Complexity	139
73005	Covalent_Unit_Count	1
48368	Molecular_Weight	448.5
4342	Defined_Bond_Stereo_Count	0
6416	Mono_Isotopic_Weight	100.088815002
13184281	Mono_Isotopic_Weight	118.062994177
610169	Mono_Isotopic_Weight	204.92939
163050678	Defined_Atom_Stereo_Count	8
14225655	Hydrogen_Bond_Donor_Count	0
703	Non-hydrogen_Atom_Count	53
13568501	Non-hydrogen_Atom_Count	8
37541	Covalent_Unit_Count	1
4090	Structure_Complexity	607
22020033	Structure_Complexity	137
24916941	Undefined_Atom_Stereo_Count	0
91168430	Defined_Bond_Stereo_Count	0
54575456	Hydrogen_Bond_Donor_Count	2
31200	Non-hydrogen_Atom_Count	17
37251	Non-hydrogen_Atom_Count	20
392622	Non-hydrogen_Atom_Count	50
6321414	Mono_Isotopic_Weight	557.12501980
17439	Defined_Atom_Stereo_Count	0
10024	Mono_Isotopic_Weight	104.083729621
11513721	Defined_Bond_Stereo_Count	1
8351	Defined_Bond_Stereo_Count	0
5277135	Rotatable_Bond_Count	7
933147	Hydrogen_Bond_Acceptor_Count	5
128600	Defined_Bond_Stereo_Count	0
13574952	TPSA	38.7
14296346	Defined_Atom_Stereo_Count	0
172288	Total_Formal_Charge	0
10307849	Undefined_Atom_Stereo_Count	0
93847	Hydrogen_Bond_Donor_Count	0
101100163	Molecular_Weight	235.28
1056	Undefined_Atom_Stereo_Count	0
61529	Hydrogen_Bond_Donor_Count	1
15098	Hydrogen_Bond_Donor_Count	0
442436	Rotatable_Bond_Count	11
1550888	Structure_Complexity	331
4025	Undefined_Atom_Stereo_Count	2
20695	Rotatable_Bond_Count	0
162817	XLogP3-AA	3
157688	Hydrogen_Bond_Acceptor_Count	13
48889	Mono_Isotopic_Weight	319.896540
413505	Non-hydrogen_Atom_Count	13
20484	Defined_Bond_Stereo_Count	0
213056	Mono_Isotopic_Weight	185.06880783
3515	Covalent_Unit_Count	1
54225123	Defined_Bond_Stereo_Count	0
18364965	Isotope_Atom_Count	0
208925	Defined_Bond_Stereo_Count	0
20702319	Molecular_Weight	113.16
88800	Undefined_Atom_Stereo_Count	0
1995	Hydrogen_Bond_Donor_Count	2
18069	TPSA	43.1
70693116	Structure_Complexity	758
71512	TPSA	26.3
9877746	Covalent_Unit_Count	1
21470	Hydrogen_Bond_Donor_Count	0
83363	XLogP3	6.2
24228	Non-hydrogen_Atom_Count	22
12200	Structure_Complexity	141
56929	Mono_Isotopic_Weight	546.42481153
24999143	Exact_Mass	469.28282334
54080009	Covalent_Unit_Count	1
6435507	Isotope_Atom_Count	0
283654	Mono_Isotopic_Weight	264.13615911
23757	Molecular_Weight	385.4
53317992	Structure_Complexity	174
84081255	Structure_Complexity	90.6
10931378	Hydrogen_Bond_Donor_Count	2
12847949	Tautomer_Count	2
13809010	Total_Formal_Charge	0
9940312	TPSA	12
54046888	Rotatable_Bond_Count	3
1093	Structure_Complexity	646
66766582	Defined_Atom_Stereo_Count	0
6112114	Covalent_Unit_Count	1
5359620	Structure_Complexity	127
23564147	Total_Formal_Charge	0
22522	Covalent_Unit_Count	1
317681	XLogP3-AA	1.5
16221	Mono_Isotopic_Weight	269.308250248
458186	Undefined_Atom_Stereo_Count	0
380	Covalent_Unit_Count	1
17816	Total_Formal_Charge	0
57713	Hydrogen_Bond_Donor_Count	4
34800	Defined_Bond_Stereo_Count	0
53631403	Covalent_Unit_Count	1
632835	Structure_Complexity	630
87100666	Defined_Bond_Stereo_Count	0
72683639	Mono_Isotopic_Weight	631.2692103
79583	Exact_Mass	209.03242232
23662382	Total_Formal_Charge	0
292429	Total_Formal_Charge	0
62477	Mono_Isotopic_Weight	130.099379685
42580058	Total_Formal_Charge	0
456161	Covalent_Unit_Count	1
22817	Hydrogen_Bond_Acceptor_Count	1
33176	TPSA	68.5
3081938	Non-hydrogen_Atom_Count	16
131874127	TPSA	46.9
5101	Defined_Atom_Stereo_Count	0
5284361	Undefined_Atom_Stereo_Count	6
59841	Hydrogen_Bond_Acceptor_Count	6
10297818	Hydrogen_Bond_Donor_Count	3
61209	TPSA	34.1
71530	Exact_Mass	332.08613
32122	Undefined_Atom_Stereo_Count	1
11758093	Total_Formal_Charge	0
20055560	Undefined_Bond_Stereo_Count	0
101365708	Molecular_Weight	113.12
175945	Non-hydrogen_Atom_Count	23
131705644	Hydrogen_Bond_Donor_Count	8
66545759	XLogP3-AA	1.3
10969	Covalent_Unit_Count	2
4951	Molecular_Weight	530.6
73082918	XLogP3-AA	2.4
23591662	Covalent_Unit_Count	1
16212317	Mono_Isotopic_Weight	405.1343006
132472265	Structure_Complexity	1970
24821094	Tautomer_Count	5
6366720	Defined_Bond_Stereo_Count	1
288862	Non-hydrogen_Atom_Count	18
62787	Isotope_Atom_Count	0
55294	Isotope_Atom_Count	0
45344	Tautomer_Count	1
1260	Non-hydrogen_Atom_Count	28
12738	Structure_Complexity	574
21865974	Isotope_Atom_Count	0
147004	Defined_Atom_Stereo_Count	1
1189	TPSA	146
137655	TPSA	0
14263148	Defined_Bond_Stereo_Count	0
12561970	Undefined_Bond_Stereo_Count	0
22480816	Rotatable_Bond_Count	1
41583	Defined_Atom_Stereo_Count	0
443870	Non-hydrogen_Atom_Count	27
4039	Undefined_Atom_Stereo_Count	0
10307849	Defined_Atom_Stereo_Count	0
11069	Exact_Mass	422.15115773
801471	Defined_Atom_Stereo_Count	2
12594656	Covalent_Unit_Count	1
18506396	Isotope_Atom_Count	0
23684896	Covalent_Unit_Count	2
445032	Rotatable_Bond_Count	5
3032396	Isotope_Atom_Count	0
141886129	Covalent_Unit_Count	1
91465	Molecular_Weight	388.7
101731271	Exact_Mass	97.089149355
71308696	Undefined_Atom_Stereo_Count	1
11136922	Undefined_Atom_Stereo_Count	1
10239891	Covalent_Unit_Count	1
16726630	Defined_Atom_Stereo_Count	0
91214254	Covalent_Unit_Count	1
91758680	Rotatable_Bond_Count	2
20062980	Mono_Isotopic_Weight	117.01385337
19905962	Non-hydrogen_Atom_Count	8
12285862	Molecular_Weight	180.16
2734411	Molecular_Weight	787.4
542381	Hydrogen_Bond_Acceptor_Count	3
10772937	Hydrogen_Bond_Donor_Count	0
5742832	Defined_Atom_Stereo_Count	2
12529300	TPSA	26
12262506	Exact_Mass	195.125928785
10130220	Defined_Atom_Stereo_Count	4
56629862	Hydrogen_Bond_Acceptor_Count	2
69674285	Hydrogen_Bond_Acceptor_Count	1
20426485	Rotatable_Bond_Count	3
5289590	Tautomer_Count	5
46926360	Hydrogen_Bond_Acceptor_Count	7
9375	Hydrogen_Bond_Donor_Count	2
7259	Isotope_Atom_Count	0
13334303	Non-hydrogen_Atom_Count	8
98633	Isotope_Atom_Count	0
5282203	Defined_Atom_Stereo_Count	0
39722	Total_Formal_Charge	0
628949	Tautomer_Count	3
5440	Rotatable_Bond_Count	6
113415	XLogP3-AA	9
59434	Isotope_Atom_Count	0
52943373	Undefined_Atom_Stereo_Count	0
51762	XLogP3-AA	4.4
8881	Rotatable_Bond_Count	2
284980	Isotope_Atom_Count	0
13208114	Undefined_Bond_Stereo_Count	0
176015	Total_Formal_Charge	0
129027658	Rotatable_Bond_Count	0
10269854	Covalent_Unit_Count	1
22615	Isotope_Atom_Count	0
32226	Hydrogen_Bond_Donor_Count	0
19027761	Molecular_Weight	109.13
15511	Mono_Isotopic_Weight	104.06597156
53497429	Non-hydrogen_Atom_Count	40
53237541	Covalent_Unit_Count	1
550922	Defined_Bond_Stereo_Count	0
11890	Undefined_Atom_Stereo_Count	0
71584541	Mono_Isotopic_Weight	399.16952493
2100	Defined_Atom_Stereo_Count	0
8205	Undefined_Atom_Stereo_Count	0
67076419	Covalent_Unit_Count	2
2783279	Undefined_Atom_Stereo_Count	0
129695690	Undefined_Atom_Stereo_Count	2
45357796	Tautomer_Count	1
84063979	Covalent_Unit_Count	1
9569	Undefined_Atom_Stereo_Count	9
5311211	XLogP3-AA	5
9919680	Exact_Mass	422.13789045
61249	Undefined_Atom_Stereo_Count	1
4409	XLogP3	3.1
542556	Structure_Complexity	308
66191	Non-hydrogen_Atom_Count	9
85237	Undefined_Atom_Stereo_Count	0
82129	Covalent_Unit_Count	1
13393280	Rotatable_Bond_Count	3
557495	Mono_Isotopic_Weight	100.052429494
121493662	Mono_Isotopic_Weight	1663.4923528
8475	Undefined_Bond_Stereo_Count	0
4890	Tautomer_Count	2
91505	Isotope_Atom_Count	0
44392167	Molecular_Weight	519.7
268488	Structure_Complexity	180
19284	Isotope_Atom_Count	0
16063805	TPSA	35.5
141282199	Undefined_Atom_Stereo_Count	2
16092139	XLogP3-AA	3.3
9865375	Total_Formal_Charge	0
1254	Mono_Isotopic_Weight	156.151415257
556306	Non-hydrogen_Atom_Count	8
317852	Structure_Complexity	434
55291303	Covalent_Unit_Count	1
9918581	Hydrogen_Bond_Donor_Count	4
90055716	Non-hydrogen_Atom_Count	36
101000161	Tautomer_Count	106
11714580	Total_Formal_Charge	0
49862517	TPSA	70.7
346926	Defined_Bond_Stereo_Count	0
74245	Defined_Atom_Stereo_Count	0
158980	Structure_Complexity	148
23689980	Molecular_Weight	118.09
19208	Covalent_Unit_Count	1
70500258	Hydrogen_Bond_Acceptor_Count	3
5625	Covalent_Unit_Count	1
752860	Total_Formal_Charge	0
969472	Undefined_Atom_Stereo_Count	0
71719268	XLogP3-AA	4.5
12869962	Isotope_Atom_Count	0
963	TPSA	347
57370827	Total_Formal_Charge	0
6881	Tautomer_Count	4
38771	Non-hydrogen_Atom_Count	14
70676631	Covalent_Unit_Count	3
5611	Undefined_Atom_Stereo_Count	1
282752	Structure_Complexity	267
3456	Structure_Complexity	440
21028424	Defined_Atom_Stereo_Count	0
53326689	Hydrogen_Bond_Acceptor_Count	5
6436063	Total_Formal_Charge	0
7093	Structure_Complexity	110
129849	Hydrogen_Bond_Donor_Count	1
68009554	Hydrogen_Bond_Donor_Count	8
136085	Covalent_Unit_Count	1
52922056	Undefined_Atom_Stereo_Count	0
40973	Defined_Bond_Stereo_Count	0
18442760	Defined_Atom_Stereo_Count	0
9189	TPSA	12.9
76980	Undefined_Bond_Stereo_Count	0
21648	Undefined_Bond_Stereo_Count	0
39230	Undefined_Bond_Stereo_Count	0
22411865	Molecular_Weight	336.12
1525	Hydrogen_Bond_Acceptor_Count	11
135417349	Molecular_Weight	116.12
291703	Mono_Isotopic_Weight	256.109944368
91825716	TPSA	66.4
4262071	Undefined_Atom_Stereo_Count	5
4840	Isotope_Atom_Count	0
5187	Undefined_Atom_Stereo_Count	4
1459	Hydrogen_Bond_Donor_Count	4
412781	Covalent_Unit_Count	1
7047	Covalent_Unit_Count	1
10944	Undefined_Atom_Stereo_Count	1
11148	Undefined_Bond_Stereo_Count	0
23729877	Defined_Atom_Stereo_Count	0
13401682	Non-hydrogen_Atom_Count	8
23335962	Defined_Atom_Stereo_Count	0
121596006	Structure_Complexity	1220
4414	Hydrogen_Bond_Acceptor_Count	6
9961469	Non-hydrogen_Atom_Count	40
5037	Covalent_Unit_Count	1
2072949	Undefined_Atom_Stereo_Count	0
56955180	Defined_Bond_Stereo_Count	0
517165	Defined_Bond_Stereo_Count	0
5311466	TPSA	65.5
2079	Defined_Bond_Stereo_Count	0
11073372	Defined_Atom_Stereo_Count	0
641543	Defined_Bond_Stereo_Count	0
9373	Hydrogen_Bond_Donor_Count	1
119097554	Structure_Complexity	80.2
62662	Undefined_Atom_Stereo_Count	0
14459015	Undefined_Atom_Stereo_Count	0
9939298	Undefined_Atom_Stereo_Count	0
14020410	Total_Formal_Charge	0
71720685	Undefined_Bond_Stereo_Count	0
123072	Non-hydrogen_Atom_Count	18
7460	Tautomer_Count	1
1684	Undefined_Bond_Stereo_Count	0
55560	Hydrogen_Bond_Acceptor_Count	8
163781	Covalent_Unit_Count	1
417349	Isotope_Atom_Count	0
963	Isotope_Atom_Count	0
10975412	Undefined_Atom_Stereo_Count	1
5367222	Tautomer_Count	1
23423	XLogP3-AA	5.5
90736006	Molecular_Weight	110.20
139134	Covalent_Unit_Count	1
9955015	Structure_Complexity	453
21507	XLogP3-AA	1.3
12522360	XLogP3-AA	1.6
286	Undefined_Atom_Stereo_Count	0
13199930	Tautomer_Count	1
4289	Covalent_Unit_Count	1
230373	Isotope_Atom_Count	0
44429	Hydrogen_Bond_Acceptor_Count	2
104276777	Molecular_Weight	110.15
551185	Molecular_Weight	100.16
88901652	Exact_Mass	113.047678466
543069	Defined_Bond_Stereo_Count	0
267898	Molecular_Weight	204.23
76080	Total_Formal_Charge	0
1466	Hydrogen_Bond_Donor_Count	2
81472	Rotatable_Bond_Count	3
40467	Undefined_Bond_Stereo_Count	0
135396228	Hydrogen_Bond_Acceptor_Count	3
3337	Covalent_Unit_Count	1
130002904	Undefined_Atom_Stereo_Count	3
31256	Tautomer_Count	6
96638024	Defined_Atom_Stereo_Count	0
5086465	Defined_Bond_Stereo_Count	0
156592059	Structure_Complexity	1840
70280758	Non-hydrogen_Atom_Count	31
9390	Defined_Bond_Stereo_Count	0
197856	Tautomer_Count	15
91589	Total_Formal_Charge	0
138991760	Covalent_Unit_Count	1
2905	Non-hydrogen_Atom_Count	21
57286318	Hydrogen_Bond_Donor_Count	0
11538502	TPSA	115
146465392	Defined_Atom_Stereo_Count	0
12309518	Undefined_Bond_Stereo_Count	0
25007799	Molecular_Weight	411.5
79811	Exact_Mass	159.0199395
88440820	Non-hydrogen_Atom_Count	7
6436057	Structure_Complexity	548
67248272	Hydrogen_Bond_Donor_Count	1
135121972	Molecular_Weight	364.8
40466900	Hydrogen_Bond_Donor_Count	0
21622656	Undefined_Atom_Stereo_Count	0
5496540	Mono_Isotopic_Weight	1424.55613212
16019977	Defined_Atom_Stereo_Count	0
133728	XLogP3-AA	3.1
75562	Rotatable_Bond_Count	0
80867	Isotope_Atom_Count	0
164252	Defined_Atom_Stereo_Count	1
77353	Undefined_Atom_Stereo_Count	0
89811	Covalent_Unit_Count	1
92821	Defined_Bond_Stereo_Count	0
23305129	Hydrogen_Bond_Donor_Count	4
430795	Exact_Mass	202.21574685
10251	Undefined_Bond_Stereo_Count	0
121938	Hydrogen_Bond_Donor_Count	1
208838	Covalent_Unit_Count	1
37767	TPSA	104
435360	Covalent_Unit_Count	1
5281575	Covalent_Unit_Count	1
6321411	Molecular_Weight	453.5
5497174	Hydrogen_Bond_Donor_Count	3
2515	Tautomer_Count	6
72200939	Undefined_Atom_Stereo_Count	0
154825561	Total_Formal_Charge	0
101175466	Defined_Atom_Stereo_Count	0
72941505	Tautomer_Count	1
1252264	Defined_Atom_Stereo_Count	0
92666	XLogP3-AA	1.6
53315139	Covalent_Unit_Count	1
16227342	Undefined_Bond_Stereo_Count	0
64156	Exact_Mass	239.188529040
9796440	Hydrogen_Bond_Acceptor_Count	5
20576	Isotope_Atom_Count	0
284314	Defined_Atom_Stereo_Count	0
330740	Hydrogen_Bond_Donor_Count	4
6426849	Non-hydrogen_Atom_Count	22
23663973	Molecular_Weight	255.23
194338	Hydrogen_Bond_Donor_Count	2
163050683	Undefined_Atom_Stereo_Count	0
9884817	Non-hydrogen_Atom_Count	25
3082131	Isotope_Atom_Count	0
12394645	Defined_Atom_Stereo_Count	0
2771871	Hydrogen_Bond_Acceptor_Count	3
17190	Undefined_Bond_Stereo_Count	0
9874874	Total_Formal_Charge	0
139062656	Defined_Bond_Stereo_Count	0
11442292	Covalent_Unit_Count	1
208922	Mono_Isotopic_Weight	292.193948774
116	Hydrogen_Bond_Donor_Count	3
21989049	Mono_Isotopic_Weight	98.048012819
143047391	Molecular_Weight	87.12
73005	Undefined_Atom_Stereo_Count	1
75471	Molecular_Weight	157.25
9570327	Hydrogen_Bond_Donor_Count	2
402035	Hydrogen_Bond_Donor_Count	0
24597	Hydrogen_Bond_Acceptor_Count	4
2764838	Structure_Complexity	113
13519	Covalent_Unit_Count	1
11396600	Isotope_Atom_Count	0
120096	Defined_Atom_Stereo_Count	0
164135990	Total_Formal_Charge	0
446912	Molecular_Weight	531.7
66475	Hydrogen_Bond_Acceptor_Count	4
57505393	Defined_Atom_Stereo_Count	0
74950937	Hydrogen_Bond_Donor_Count	6
10704	TPSA	43.1
1135	Defined_Atom_Stereo_Count	0
54610154	Undefined_Bond_Stereo_Count	0
440784	Exact_Mass	590.31043507
21670561	Defined_Atom_Stereo_Count	0
519161	Total_Formal_Charge	0
135503538	TPSA	129
5388962	Non-hydrogen_Atom_Count	27
59939847	TPSA	49.3
34296	Hydrogen_Bond_Acceptor_Count	1
4144353	Hydrogen_Bond_Acceptor_Count	4
11477651	Undefined_Atom_Stereo_Count	0
51051629	Undefined_Bond_Stereo_Count	0
54353965	Hydrogen_Bond_Donor_Count	0
65934	XLogP3-AA	1.1
72276	Total_Formal_Charge	0
51577	Mono_Isotopic_Weight	207.11067264
194519	Hydrogen_Bond_Donor_Count	0
10219414	Defined_Atom_Stereo_Count	0
25142700	Covalent_Unit_Count	1
3714	Structure_Complexity	700
14880677	Molecular_Weight	113.16
656673	Total_Formal_Charge	0
91881846	Undefined_Bond_Stereo_Count	0
439709	Structure_Complexity	162
22476544	Undefined_Bond_Stereo_Count	0
18407	Molecular_Weight	130.14
91100506	Non-hydrogen_Atom_Count	7
292429	Hydrogen_Bond_Donor_Count	0
190818	Hydrogen_Bond_Acceptor_Count	10
20545753	Mono_Isotopic_Weight	105.078978594
2106897	Molecular_Weight	110.16
61030	Structure_Complexity	132
123254	Hydrogen_Bond_Acceptor_Count	2
8573	Defined_Atom_Stereo_Count	0
44631912	Molecular_Weight	434.5
77287	Tautomer_Count	1
19354670	Non-hydrogen_Atom_Count	6
12295520	Exact_Mass	110.084398327
8381	XLogP3-AA	3.3
137105	Rotatable_Bond_Count	0
9537	Isotope_Atom_Count	0
5311346	Undefined_Atom_Stereo_Count	0
53401856	Defined_Atom_Stereo_Count	0
10129	Undefined_Atom_Stereo_Count	3
11675388	Structure_Complexity	518
276224	Covalent_Unit_Count	1
3792939	Rotatable_Bond_Count	0
71624580	XLogP3-AA	1.7
10291132	Undefined_Atom_Stereo_Count	0
11957378	Structure_Complexity	755
558341	XLogP3-AA	0.2
11612445	Undefined_Bond_Stereo_Count	0
4927	Defined_Bond_Stereo_Count	0
71296969	TPSA	143
439575	Defined_Atom_Stereo_Count	1
24765256	Structure_Complexity	1550
134687950	Rotatable_Bond_Count	4
550814	Hydrogen_Bond_Donor_Count	2
20054967	Hydrogen_Bond_Donor_Count	1
27648	Defined_Atom_Stereo_Count	0
12156911	Mono_Isotopic_Weight	91.042199164
9897412	Structure_Complexity	1370
4302963	Covalent_Unit_Count	1
2733673	Undefined_Bond_Stereo_Count	0
14598502	Isotope_Atom_Count	0
53316380	TPSA	61.6
92041	Defined_Bond_Stereo_Count	0
5568	Defined_Bond_Stereo_Count	0
2106900	Structure_Complexity	72.9
11600642	Defined_Atom_Stereo_Count	1
763	Defined_Atom_Stereo_Count	0
13511919	TPSA	20.2
14816327	TPSA	21.6
71776101	Structure_Complexity	270
9793733	Defined_Bond_Stereo_Count	0
3623	XLogP3	1.9
55289163	Mono_Isotopic_Weight	114.079312947
65483	Total_Formal_Charge	0
133655777	Total_Formal_Charge	0
76223467	Covalent_Unit_Count	1
22995366	Rotatable_Bond_Count	2
20333380	Total_Formal_Charge	0
25131330	TPSA	81.3
85779440	Hydrogen_Bond_Donor_Count	0
53323075	XLogP3-AA	2.6
77875900	TPSA	55.1
1517	Total_Formal_Charge	0
79724	Exact_Mass	330.09192877
10297065	Non-hydrogen_Atom_Count	30
68668153	Mono_Isotopic_Weight	240.089877630
6918584	Structure_Complexity	2790
56672297	Exact_Mass	410.16666561
4332	Rotatable_Bond_Count	13
77946	Structure_Complexity	25.1
153386581	Exact_Mass	96.057514874
25201603	TPSA	292
59059978	Defined_Bond_Stereo_Count	0
439570	Exact_Mass	150.104465066
17954	Total_Formal_Charge	0
129881709	Structure_Complexity	203
53465279	Undefined_Atom_Stereo_Count	0
19736124	Undefined_Atom_Stereo_Count	0
9840857	Total_Formal_Charge	0
53896476	Defined_Bond_Stereo_Count	0
68154	Tautomer_Count	1
68845	Hydrogen_Bond_Donor_Count	1
129630288	Total_Formal_Charge	0
17807203	Rotatable_Bond_Count	2
6442842	Non-hydrogen_Atom_Count	29
11628328	Hydrogen_Bond_Donor_Count	2
14794988	XLogP3-AA	0.8
7428	XLogP3	0.9
9796068	Hydrogen_Bond_Donor_Count	1
3000391	Rotatable_Bond_Count	0
61960	Molecular_Weight	374.6
101598717	Defined_Bond_Stereo_Count	0
184820	Total_Formal_Charge	0
11658860	Molecular_Weight	195.69
23667651	Rotatable_Bond_Count	4
9931954	TPSA	56.9
219078	Rotatable_Bond_Count	6
85939688	XLogP3	5.8
3789	Isotope_Atom_Count	0
53384918	Rotatable_Bond_Count	4
15993	Non-hydrogen_Atom_Count	30
22314	Molecular_Weight	382.6
135541258	Tautomer_Count	3
31225	XLogP3	2.8
39421	Total_Formal_Charge	0
80220	Exact_Mass	166.04907545
22737404	Hydrogen_Bond_Acceptor_Count	3
50293	Hydrogen_Bond_Acceptor_Count	1
82419	Covalent_Unit_Count	1
227260	Structure_Complexity	299
40146	Hydrogen_Bond_Donor_Count	1
81261	Hydrogen_Bond_Acceptor_Count	2
76704897	Undefined_Bond_Stereo_Count	0
150310	XLogP3	1.4
53895224	Isotope_Atom_Count	0
17617	Covalent_Unit_Count	1
5359596	Rotatable_Bond_Count	0
264082	Total_Formal_Charge	0
80032	Isotope_Atom_Count	0
23616570	Molecular_Weight	359.9
21752	Covalent_Unit_Count	1
35023	Mono_Isotopic_Weight	246.11167570
15077409	Defined_Atom_Stereo_Count	0
9985579	Rotatable_Bond_Count	11
15478	Mono_Isotopic_Weight	390.24062418
5288499	Covalent_Unit_Count	1
21698764	XLogP3-AA	1.2
25052023	Rotatable_Bond_Count	6
107971	TPSA	146
14678668	Hydrogen_Bond_Acceptor_Count	2
19809513	Mono_Isotopic_Weight	94.016712692
101808860	TPSA	20.2
6603822	Exact_Mass	301.298079487
726370	Mono_Isotopic_Weight	322.17149925
46078	Isotope_Atom_Count	0
11395145	Rotatable_Bond_Count	7
44339136	TPSA	150
205	Defined_Atom_Stereo_Count	0
53237541	Undefined_Atom_Stereo_Count	1
12472552	Covalent_Unit_Count	1
88481084	Exact_Mass	422.36670574
53232849	Molecular_Weight	99.13
117682783	Exact_Mass	284.16237386
62705687	TPSA	126
12096001	Rotatable_Bond_Count	6
5281416	Hydrogen_Bond_Donor_Count	2
183812	Defined_Bond_Stereo_Count	0
77753	Undefined_Atom_Stereo_Count	0
23730858	Undefined_Bond_Stereo_Count	0
56834574	Covalent_Unit_Count	1
5281065	Tautomer_Count	1
60651	Hydrogen_Bond_Acceptor_Count	9
34481	Mono_Isotopic_Weight	292.08479225
53632493	Undefined_Atom_Stereo_Count	2
1504	TPSA	98.8
6808	Structure_Complexity	221
53427	Defined_Atom_Stereo_Count	0
3034023	Structure_Complexity	356
11869222	Defined_Bond_Stereo_Count	0
330654	Non-hydrogen_Atom_Count	7
19621	Total_Formal_Charge	0
348	Rotatable_Bond_Count	5
148335	Defined_Bond_Stereo_Count	0
55288974	Mono_Isotopic_Weight	111.068413911
107969	Hydrogen_Bond_Acceptor_Count	3
69340339	XLogP3-AA	0.3
7296	Covalent_Unit_Count	1
8961	Non-hydrogen_Atom_Count	11
135398516	Structure_Complexity	630
10209	Exact_Mass	174.068079557
22981451	Undefined_Bond_Stereo_Count	0
122452208	Defined_Atom_Stereo_Count	0
11073365	Total_Formal_Charge	0
22288608	Exact_Mass	106.053098200
13362	Isotope_Atom_Count	0
20209436	Covalent_Unit_Count	5
13371699	TPSA	214
10796703	TPSA	12
88290	Molecular_Weight	132.23
44296776	XLogP3-AA	4.3
6325	Rotatable_Bond_Count	0
51644315	Molecular_Weight	123.99
7807	Hydrogen_Bond_Donor_Count	1
49288	XLogP3	1.8
71533242	Mono_Isotopic_Weight	466.14751164
20684386	Undefined_Bond_Stereo_Count	0
20541332	Non-hydrogen_Atom_Count	18
12370	Exact_Mass	110.109550447
356101	Covalent_Unit_Count	1
3016164	TPSA	32.3
10921	Isotope_Atom_Count	0
22160808	Rotatable_Bond_Count	2
5462508	Covalent_Unit_Count	1
167811	Non-hydrogen_Atom_Count	28
705715	Undefined_Bond_Stereo_Count	0
71584056	Exact_Mass	455.19911098
447360	Rotatable_Bond_Count	5
221125	Hydrogen_Bond_Acceptor_Count	9
206044	Rotatable_Bond_Count	12
5289418	Exact_Mass	296.11609238
44442065	Defined_Bond_Stereo_Count	0
8805	Structure_Complexity	222
18505590	Hydrogen_Bond_Acceptor_Count	3
8550	Exact_Mass	578.26281617
123145	Non-hydrogen_Atom_Count	3
61024	Tautomer_Count	1
24729333	XLogP3-AA	1.5
5479530	Exact_Mass	554.04605846
5361192	Structure_Complexity	327
71360	Defined_Bond_Stereo_Count	0
77067	Covalent_Unit_Count	2
73114967	Non-hydrogen_Atom_Count	8
535188	Isotope_Atom_Count	0
53249784	Hydrogen_Bond_Donor_Count	1
440946	Exact_Mass	504.16903493
9888340	Defined_Atom_Stereo_Count	2
580057	Defined_Atom_Stereo_Count	0
23349	Hydrogen_Bond_Acceptor_Count	1
44144456	Isotope_Atom_Count	0
128626	Hydrogen_Bond_Acceptor_Count	3
77441779	Undefined_Atom_Stereo_Count	2
70014	Hydrogen_Bond_Acceptor_Count	4
12691392	Undefined_Atom_Stereo_Count	0
110964	Rotatable_Bond_Count	0
42153	Isotope_Atom_Count	0
10476254	Non-hydrogen_Atom_Count	27
11210	XLogP3-AA	2.7
135404289	Defined_Atom_Stereo_Count	0
439250	Exact_Mass	136.125200510
16656889	Covalent_Unit_Count	1
42553	Covalent_Unit_Count	1
23603	Hydrogen_Bond_Donor_Count	1
85364156	Non-hydrogen_Atom_Count	57
55288198	Rotatable_Bond_Count	0
82162	Mono_Isotopic_Weight	142.074227566
6861	Molecular_Weight	185.22
41967	Undefined_Atom_Stereo_Count	2
3011734	Rotatable_Bond_Count	12
139089144	Total_Formal_Charge	0
3553	Undefined_Atom_Stereo_Count	8
4198	Rotatable_Bond_Count	1
846297	Defined_Bond_Stereo_Count	0
4113127	Hydrogen_Bond_Donor_Count	3
68891	Hydrogen_Bond_Donor_Count	0
57448758	Isotope_Atom_Count	0
10288	Hydrogen_Bond_Acceptor_Count	3
22833331	Undefined_Atom_Stereo_Count	1
66828839	Total_Formal_Charge	0
203433	Exact_Mass	281.06228316
70687331	Undefined_Bond_Stereo_Count	0
4974205	Defined_Atom_Stereo_Count	0
284161	Undefined_Bond_Stereo_Count	0
104778	Defined_Atom_Stereo_Count	2
136394	Tautomer_Count	1
25132069	Rotatable_Bond_Count	5
76767	Covalent_Unit_Count	1
12021642	TPSA	35.8
610682	Hydrogen_Bond_Donor_Count	1
65944	Mono_Isotopic_Weight	244.05177804
12692921	Defined_Atom_Stereo_Count	0
21503772	Total_Formal_Charge	0
44563178	Total_Formal_Charge	0
190550	Isotope_Atom_Count	0
12093171	TPSA	123
492767	Exact_Mass	333.1066465
95380	Undefined_Atom_Stereo_Count	1
7048533	Exact_Mass	299.04501564
202792	Defined_Atom_Stereo_Count	0
11815279	Molecular_Weight	80.13
222572	Structure_Complexity	391
5311037	XLogP3-AA	2.5
54408458	Rotatable_Bond_Count	0
12963076	TPSA	16.1
10282265	Isotope_Atom_Count	0
10231	Isotope_Atom_Count	0
12088	Defined_Atom_Stereo_Count	0
216454	Undefined_Bond_Stereo_Count	0
10434	Undefined_Bond_Stereo_Count	0
67763	Isotope_Atom_Count	0
22083393	Structure_Complexity	129
55285271	Rotatable_Bond_Count	1
44148067	Isotope_Atom_Count	0
10290728	Undefined_Bond_Stereo_Count	0
144292366	Hydrogen_Bond_Acceptor_Count	1
19768091	Isotope_Atom_Count	0
135398638	Defined_Bond_Stereo_Count	0
921134	XLogP3-AA	4.9
16197724	Tautomer_Count	986
5702096	Rotatable_Bond_Count	2
72929	Exact_Mass	136.063662883
11670791	Defined_Bond_Stereo_Count	0
2624	Covalent_Unit_Count	1
121026	TPSA	55.1
9613	Isotope_Atom_Count	0
5364553	Molecular_Weight	294.6
5288674	Defined_Bond_Stereo_Count	3
148177	Hydrogen_Bond_Donor_Count	0
19543	Isotope_Atom_Count	0
16735967	Mono_Isotopic_Weight	508.27980365
126083	Mono_Isotopic_Weight	314.16641387
29809	Non-hydrogen_Atom_Count	25
124602261	Covalent_Unit_Count	1
23687713	Molecular_Weight	231.20
22544	Isotope_Atom_Count	0
32966	Defined_Atom_Stereo_Count	0
5460294	Mono_Isotopic_Weight	132.02968267
5282109	Undefined_Bond_Stereo_Count	0
12317358	XLogP3-AA	0
21057641	Exact_Mass	525.2646307
235269	Exact_Mass	293.91375
129010331	Covalent_Unit_Count	1
1550213	Tautomer_Count	1
520362	TPSA	0
69851383	Undefined_Bond_Stereo_Count	1
13223	Covalent_Unit_Count	1
11789033	Rotatable_Bond_Count	4
12576851	Covalent_Unit_Count	1
1549073	Defined_Bond_Stereo_Count	0
41934	Defined_Bond_Stereo_Count	0
17892	XLogP3-AA	4.6
12977	Isotope_Atom_Count	0
54022694	Covalent_Unit_Count	1
445501	Total_Formal_Charge	0
21651	Hydrogen_Bond_Acceptor_Count	6
18428533	Covalent_Unit_Count	1
3034043	Rotatable_Bond_Count	8
5702690	Covalent_Unit_Count	3
1549002	Defined_Bond_Stereo_Count	0
70077074	Undefined_Bond_Stereo_Count	0
36667	Molecular_Weight	289.4
90953484	Mono_Isotopic_Weight	110.109550447
57750418	Defined_Bond_Stereo_Count	0
232326	Defined_Bond_Stereo_Count	0
596	TPSA	129
165157	Molecular_Weight	887.0
323701	Total_Formal_Charge	0
9938326	Defined_Atom_Stereo_Count	1
83167	TPSA	132
11349170	Exact_Mass	368.19607403
7549	Isotope_Atom_Count	0
53774272	Hydrogen_Bond_Acceptor_Count	1
65584	Undefined_Atom_Stereo_Count	0
75445	Exact_Mass	477.314398257
46205409	Rotatable_Bond_Count	16
851033	Undefined_Atom_Stereo_Count	0
6328174	Defined_Atom_Stereo_Count	0
15433	Covalent_Unit_Count	1
11346811	Hydrogen_Bond_Acceptor_Count	7
66503	Non-hydrogen_Atom_Count	32
171284	Total_Formal_Charge	0
6259976	Mono_Isotopic_Weight	174.068079557
5474229	Undefined_Atom_Stereo_Count	19
146159250	Covalent_Unit_Count	1
12480949	Structure_Complexity	94.4
13636	Isotope_Atom_Count	0
153380590	Hydrogen_Bond_Donor_Count	0
2723650	Isotope_Atom_Count	0
53803945	XLogP3-AA	3
13519	Undefined_Atom_Stereo_Count	1
77650	Hydrogen_Bond_Donor_Count	0
97754	Rotatable_Bond_Count	1
4811	Defined_Bond_Stereo_Count	0
6662	Rotatable_Bond_Count	3
54413601	Undefined_Bond_Stereo_Count	0
5288320	Hydrogen_Bond_Acceptor_Count	5
13367	XLogP3-AA	1.2
90757303	Exact_Mass	93.057849228
2771871	Molecular_Weight	168.96
73640	Non-hydrogen_Atom_Count	24
5003059	Defined_Bond_Stereo_Count	0
90722224	TPSA	9.2
69952	XLogP3-AA	1.5
135413505	Structure_Complexity	415
26651	Defined_Atom_Stereo_Count	2
160244305	Mono_Isotopic_Weight	1201.84136802
36034	Isotope_Atom_Count	0
24775	Molecular_Weight	294.4
153380590	Defined_Bond_Stereo_Count	0
6027	Isotope_Atom_Count	0
688363	Exact_Mass	238.08412354
68156	Total_Formal_Charge	0
143745299	Non-hydrogen_Atom_Count	7
58937356	Total_Formal_Charge	0
221	Hydrogen_Bond_Acceptor_Count	8
12747510	Covalent_Unit_Count	1
9715	Defined_Bond_Stereo_Count	0
144179158	Defined_Bond_Stereo_Count	0
15293	Undefined_Bond_Stereo_Count	0
37968	Defined_Bond_Stereo_Count	0
24603	Covalent_Unit_Count	1
23010	Hydrogen_Bond_Acceptor_Count	2
21584701	Tautomer_Count	1
76714	XLogP3-AA	1
69985	Undefined_Atom_Stereo_Count	0
6917984	Undefined_Atom_Stereo_Count	0
220705	Undefined_Atom_Stereo_Count	0
68410	TPSA	40.5
881	Undefined_Bond_Stereo_Count	0
17273	Undefined_Atom_Stereo_Count	4
91763	Undefined_Bond_Stereo_Count	0
43366	Rotatable_Bond_Count	0
94625	Hydrogen_Bond_Donor_Count	0
44590403	Covalent_Unit_Count	1
26058	Hydrogen_Bond_Acceptor_Count	0
39075	Mono_Isotopic_Weight	342.2090269
15881135	Covalent_Unit_Count	1
448281	Structure_Complexity	527
62240	Hydrogen_Bond_Acceptor_Count	2
37427	Rotatable_Bond_Count	4
77532	Undefined_Atom_Stereo_Count	0
68198	Defined_Bond_Stereo_Count	0
2844	Molecular_Weight	612.7
1110	Rotatable_Bond_Count	3
57330419	Defined_Bond_Stereo_Count	0
15710945	Total_Formal_Charge	0
10176589	Hydrogen_Bond_Donor_Count	3
699165	Undefined_Atom_Stereo_Count	0
6437358	Non-hydrogen_Atom_Count	45
3597	Exact_Mass	488.31378912
6321413	Rotatable_Bond_Count	7
12124007	Molecular_Weight	113.11
58385	Rotatable_Bond_Count	9
22212137	Covalent_Unit_Count	1
37723	Tautomer_Count	1
16295	Hydrogen_Bond_Donor_Count	0
66829	Covalent_Unit_Count	1
60710317	Undefined_Atom_Stereo_Count	0
53990905	Mono_Isotopic_Weight	111.043261792
46879283	Defined_Bond_Stereo_Count	0
44421047	Molecular_Weight	924.1
11466	Hydrogen_Bond_Acceptor_Count	2
22081030	Undefined_Bond_Stereo_Count	0
6333901	Defined_Bond_Stereo_Count	0
71452498	Undefined_Atom_Stereo_Count	0
2393	Hydrogen_Bond_Donor_Count	10
16134395	Undefined_Atom_Stereo_Count	0
7287	Hydrogen_Bond_Donor_Count	1
447153	Non-hydrogen_Atom_Count	10
5481119	Undefined_Atom_Stereo_Count	0
750204	Hydrogen_Bond_Donor_Count	1
12753	Undefined_Atom_Stereo_Count	0
134826477	Exact_Mass	765.14826780
51017507	TPSA	279
2135	Undefined_Bond_Stereo_Count	0
441393	Structure_Complexity	976
53485229	Undefined_Bond_Stereo_Count	0
86256506	Structure_Complexity	87.7
107275	XLogP3-AA	1.6
57369982	Hydrogen_Bond_Acceptor_Count	7
3015	Covalent_Unit_Count	1
10246701	Molecular_Weight	341.4
10288369	Defined_Bond_Stereo_Count	0
40469210	Mono_Isotopic_Weight	384.07215933
4618	Undefined_Atom_Stereo_Count	1
12736014	Isotope_Atom_Count	0
36920	Molecular_Weight	295.4
11297617	TPSA	248
20056682	Total_Formal_Charge	0
56928061	Hydrogen_Bond_Donor_Count	11
15906	Undefined_Bond_Stereo_Count	0
10221	Hydrogen_Bond_Donor_Count	1
44392220	Hydrogen_Bond_Acceptor_Count	3
578771	Hydrogen_Bond_Donor_Count	2
21997268	Isotope_Atom_Count	0
87161809	Hydrogen_Bond_Acceptor_Count	3
2041326	Covalent_Unit_Count	1
749560	Non-hydrogen_Atom_Count	21
9499	XLogP3-AA	2.2
62219	Undefined_Bond_Stereo_Count	0
34740	Tautomer_Count	1
9394	XLogP3-AA	5.7
88890027	Rotatable_Bond_Count	1
20490762	TPSA	62.8
3037886	Mono_Isotopic_Weight	231.162314293
119828	Hydrogen_Bond_Acceptor_Count	5
5281168	Defined_Atom_Stereo_Count	0
659064	Undefined_Bond_Stereo_Count	0
762967	Hydrogen_Bond_Donor_Count	1
8520	Defined_Atom_Stereo_Count	0
92044408	Defined_Atom_Stereo_Count	13
135565082	TPSA	84.2
59392023	Hydrogen_Bond_Acceptor_Count	1
71180	TPSA	83.4
20062226	Isotope_Atom_Count	0
11974213	TPSA	78
22137188	Hydrogen_Bond_Acceptor_Count	1
40523471	Mono_Isotopic_Weight	347.09397721
12286866	XLogP3-AA	0.8
9895194	Isotope_Atom_Count	0
5282182	Rotatable_Bond_Count	15
15932798	Undefined_Atom_Stereo_Count	0
68674	Total_Formal_Charge	0
5035	Total_Formal_Charge	0
5779	Molecular_Weight	150.13
61622	Undefined_Bond_Stereo_Count	0
9798	XLogP3-AA	8
12257	Defined_Atom_Stereo_Count	0
51003497	Non-hydrogen_Atom_Count	38
15267068	Structure_Complexity	103
15201044	Rotatable_Bond_Count	0
91742	Isotope_Atom_Count	0
130143669	Non-hydrogen_Atom_Count	8
62842	Non-hydrogen_Atom_Count	11
19392414	Defined_Bond_Stereo_Count	0
49248	Defined_Bond_Stereo_Count	0
17754054	Non-hydrogen_Atom_Count	13
4914	Hydrogen_Bond_Acceptor_Count	4
63009	Non-hydrogen_Atom_Count	21
216456	Undefined_Bond_Stereo_Count	0
14783	Isotope_Atom_Count	0
3658	Hydrogen_Bond_Acceptor_Count	4
77875900	Defined_Bond_Stereo_Count	0
11847	Rotatable_Bond_Count	0
43860	Rotatable_Bond_Count	4
142559332	Hydrogen_Bond_Acceptor_Count	1
61017	Tautomer_Count	1
8593	Isotope_Atom_Count	0
53211	Hydrogen_Bond_Donor_Count	6
91623917	Covalent_Unit_Count	1
7343	Mono_Isotopic_Weight	114.068079557
5464253	Hydrogen_Bond_Acceptor_Count	10
83805	Molecular_Weight	383.23
15566577	Covalent_Unit_Count	1
27368	Covalent_Unit_Count	1
65677	Mono_Isotopic_Weight	288.10964789
69532978	Defined_Bond_Stereo_Count	0
731747	Total_Formal_Charge	0
54767916	Isotope_Atom_Count	0
4231972	TPSA	59.1
38141	Molecular_Weight	371.9
4866625	Exact_Mass	82.078250319
854019	Molecular_Weight	176.21
3442	Rotatable_Bond_Count	4
91657	Hydrogen_Bond_Acceptor_Count	6
20793238	Non-hydrogen_Atom_Count	7
5361202	Non-hydrogen_Atom_Count	29
139149	Hydrogen_Bond_Acceptor_Count	0
117476	Non-hydrogen_Atom_Count	7
397	Tautomer_Count	3
53436345	TPSA	34.1
11625778	Exact_Mass	413.19507097
68983	Mono_Isotopic_Weight	76.044187285
9808998	Mono_Isotopic_Weight	608.17545772
8667	Undefined_Bond_Stereo_Count	0
23528316	Mono_Isotopic_Weight	113.058911855
443732	Mono_Isotopic_Weight	71.073499291
141344	Covalent_Unit_Count	1
705	Undefined_Bond_Stereo_Count	0
108675	Molecular_Weight	179.02
44418576	Undefined_Atom_Stereo_Count	0
3356829	Defined_Atom_Stereo_Count	0
68805	Isotope_Atom_Count	0
142765305	Mono_Isotopic_Weight	109.052763847
22182	Mono_Isotopic_Weight	392.1997337
4496	Tautomer_Count	2
5459830	Rotatable_Bond_Count	3
565251	Isotope_Atom_Count	0
59464331	Molecular_Weight	438.5
53235510	Undefined_Bond_Stereo_Count	0
60710317	Defined_Atom_Stereo_Count	0
129722292	Defined_Atom_Stereo_Count	0
23668195	Rotatable_Bond_Count	0
146158693	Isotope_Atom_Count	3
10435	Molecular_Weight	111.11
3035447	Mono_Isotopic_Weight	384.06360602
9473	Hydrogen_Bond_Donor_Count	0
398514	Covalent_Unit_Count	1
22091031	Exact_Mass	114.068079557
30107	Covalent_Unit_Count	1
9103	Structure_Complexity	470
71742706	Covalent_Unit_Count	1
17581	Undefined_Atom_Stereo_Count	0
20474	Defined_Bond_Stereo_Count	0
25015412	Molecular_Weight	518.6
3653	Defined_Bond_Stereo_Count	0
15707	Defined_Bond_Stereo_Count	0
10909501	Undefined_Bond_Stereo_Count	0
11977753	Defined_Atom_Stereo_Count	0
955	Tautomer_Count	2
2734680	Molecular_Weight	562.0
68861	Mono_Isotopic_Weight	311.188529040
69065	Exact_Mass	216.04225873
12097317	Covalent_Unit_Count	1
68280040	Defined_Atom_Stereo_Count	0
88063521	XLogP3-AA	0.6
39425	Defined_Bond_Stereo_Count	0
62305	Structure_Complexity	956
118121642	Non-hydrogen_Atom_Count	8
65919	Defined_Atom_Stereo_Count	0
81732	Total_Formal_Charge	0
23021453	TPSA	67.9
21942786	TPSA	46.3
3641	Structure_Complexity	786
53893636	Molecular_Weight	83.13
565932	XLogP3-AA	4.3
130881	Covalent_Unit_Count	1
4268635	Mono_Isotopic_Weight	152.0392780
56683653	Undefined_Bond_Stereo_Count	0
31261	Non-hydrogen_Atom_Count	7
74995	Mono_Isotopic_Weight	210.079312947
65715	Hydrogen_Bond_Acceptor_Count	3
673	Tautomer_Count	1
10130270	Non-hydrogen_Atom_Count	14
3763	Isotope_Atom_Count	0
57398259	TPSA	102
365661	Molecular_Weight	503.3
6745	Mono_Isotopic_Weight	414.386166214
65872	Defined_Atom_Stereo_Count	2
54280	TPSA	77.3
6931238	Structure_Complexity	171
99868	Hydrogen_Bond_Acceptor_Count	1
19801	Mono_Isotopic_Weight	154.135765193
1023	Hydrogen_Bond_Donor_Count	4
11704101	Mono_Isotopic_Weight	403.16443955
15659	Isotope_Atom_Count	0
197581	Molecular_Weight	711.4
4369560	Rotatable_Bond_Count	4
22747783	Structure_Complexity	90.2
54003766	Isotope_Atom_Count	0
668649	Structure_Complexity	435
5249	Undefined_Atom_Stereo_Count	0
53243273	Mono_Isotopic_Weight	115.063328530
139158	Rotatable_Bond_Count	0
2795222	Total_Formal_Charge	0
551491	Defined_Atom_Stereo_Count	0
556035	Undefined_Atom_Stereo_Count	2
67651264	Rotatable_Bond_Count	2
54493962	Total_Formal_Charge	0
12369703	Defined_Atom_Stereo_Count	0
6918223	Molecular_Weight	304.73
3388301	Defined_Bond_Stereo_Count	0
12095999	Covalent_Unit_Count	1
60796	Structure_Complexity	402
587311	Isotope_Atom_Count	0
45120354	Undefined_Atom_Stereo_Count	2
127832	Hydrogen_Bond_Acceptor_Count	6
131451246	Non-hydrogen_Atom_Count	7
5288703	Non-hydrogen_Atom_Count	25
31365	Undefined_Atom_Stereo_Count	2
54758216	Structure_Complexity	741
11064594	XLogP3-AA	0.8
6326	Undefined_Atom_Stereo_Count	0
135410702	Mono_Isotopic_Weight	471.15024603
44864	Exact_Mass	270.08920892
11253	Non-hydrogen_Atom_Count	6
9799888	Hydrogen_Bond_Donor_Count	1
60751	Total_Formal_Charge	0
135481969	Hydrogen_Bond_Donor_Count	3
122174042	Mono_Isotopic_Weight	827.46672049
30664	Total_Formal_Charge	0
52950190	TPSA	102
6443047	Isotope_Atom_Count	0
22899343	Isotope_Atom_Count	0
6273	Molecular_Weight	226.23
19621	Tautomer_Count	2
73680	Rotatable_Bond_Count	11
3322	Hydrogen_Bond_Donor_Count	1
6433513	Covalent_Unit_Count	3
76292	Isotope_Atom_Count	0
123783729	Hydrogen_Bond_Acceptor_Count	1
59904965	Structure_Complexity	0
5282433	Undefined_Atom_Stereo_Count	0
16750600	Structure_Complexity	135
52109	Mono_Isotopic_Weight	358.0963313
11306073	Covalent_Unit_Count	3
18345891	Total_Formal_Charge	0
12479241	XLogP3-AA	4.2
71584285	XLogP3-AA	2
5388962	Defined_Bond_Stereo_Count	0
71438255	Defined_Bond_Stereo_Count	0
111727	Non-hydrogen_Atom_Count	14
25256832	TPSA	100
40391	Mono_Isotopic_Weight	308.0716407
140996483	Structure_Complexity	99.9
139075879	Undefined_Bond_Stereo_Count	0
129814671	Defined_Bond_Stereo_Count	0
16683023	Defined_Atom_Stereo_Count	0
123504	Hydrogen_Bond_Acceptor_Count	2
71401	Isotope_Atom_Count	0
5610	Mono_Isotopic_Weight	137.084063974
14097	Undefined_Bond_Stereo_Count	0
68266	Defined_Atom_Stereo_Count	0
517859	Isotope_Atom_Count	0
16950	Exact_Mass	290.12263431
3702	Hydrogen_Bond_Donor_Count	2
71680844	TPSA	91.2
79964	TPSA	1
4597	Defined_Bond_Stereo_Count	0
6124212	XLogP3-AA	1.5
10434	Undefined_Atom_Stereo_Count	0
70846	Isotope_Atom_Count	0
75024	Isotope_Atom_Count	0
22246713	Total_Formal_Charge	0
17875436	Isotope_Atom_Count	0
4145994	Exact_Mass	340.03813897
403924	XLogP3-AA	4.2
15535273	Undefined_Atom_Stereo_Count	0
90473211	Defined_Atom_Stereo_Count	6
8916	Hydrogen_Bond_Acceptor_Count	1
10290728	Undefined_Atom_Stereo_Count	0
6992140	Molecular_Weight	333.34
443732	Molecular_Weight	71.12
93205	Rotatable_Bond_Count	6
58852839	XLogP3-AA	0.2
14643175	Undefined_Atom_Stereo_Count	1
6151	Hydrogen_Bond_Acceptor_Count	4
13707457	Hydrogen_Bond_Donor_Count	0
44370729	Mono_Isotopic_Weight	237.07832714
9825084	Hydrogen_Bond_Donor_Count	0
6433892	Total_Formal_Charge	0
954673	Isotope_Atom_Count	0
9975270	Isotope_Atom_Count	0
54023308	Non-hydrogen_Atom_Count	7
21285	Mono_Isotopic_Weight	229.0425048
123664524	Defined_Atom_Stereo_Count	0
55261	Non-hydrogen_Atom_Count	9
19068741	Non-hydrogen_Atom_Count	7
70846	Hydrogen_Bond_Donor_Count	0
312666	Defined_Bond_Stereo_Count	0
12428018	Structure_Complexity	120
21998212	TPSA	52.3
31283	Non-hydrogen_Atom_Count	18
49868115	Mono_Isotopic_Weight	233.800115
61918	XLogP3-AA	0.6
60822	Isotope_Atom_Count	0
53846425	Isotope_Atom_Count	0
130026605	Exact_Mass	94.041864811
90571	Hydrogen_Bond_Acceptor_Count	3
8797	Defined_Bond_Stereo_Count	0
5516	Defined_Atom_Stereo_Count	0
916113	Structure_Complexity	506
10111	Hydrogen_Bond_Acceptor_Count	1
71583269	TPSA	91.8
445501	Hydrogen_Bond_Donor_Count	0
641005	Tautomer_Count	1
129752646	Mono_Isotopic_Weight	395.16904453
10130120	Defined_Bond_Stereo_Count	0
69462477	Defined_Atom_Stereo_Count	0
3525005	TPSA	38.8
67339181	Undefined_Bond_Stereo_Count	0
10047141	Isotope_Atom_Count	0
483765	Structure_Complexity	479
177084	Hydrogen_Bond_Acceptor_Count	1
42539	Molecular_Weight	254.3
156618103	Hydrogen_Bond_Donor_Count	8
13734208	Undefined_Bond_Stereo_Count	0
4164	Exact_Mass	271.06669983
14989	Hydrogen_Bond_Donor_Count	7
4101	Defined_Atom_Stereo_Count	0
28424	Rotatable_Bond_Count	4
60956	XLogP3-AA	0.3
10301	Molecular_Weight	136.15
56037	Hydrogen_Bond_Acceptor_Count	4
8230	Molecular_Weight	1084.2
10192563	Defined_Bond_Stereo_Count	0
534471	Structure_Complexity	129
1343	Rotatable_Bond_Count	2
71526	Tautomer_Count	1
9899007	Undefined_Atom_Stereo_Count	0
57915	Structure_Complexity	279
13113546	TPSA	29.1
22661080	Total_Formal_Charge	0
53846436	TPSA	60.7
5282433	Defined_Atom_Stereo_Count	0
2801525	Rotatable_Bond_Count	2
12539503	TPSA	0
85668777	XLogP3-AA	4
59336	Undefined_Atom_Stereo_Count	0
13765439	Exact_Mass	163.03031432
14717865	Exact_Mass	110.084398327
25273227	Isotope_Atom_Count	0
3095	Exact_Mass	377.19909372
67108485	TPSA	21.3
475930	TPSA	99.1
753050	XLogP3-AA	3.9
123861	Defined_Bond_Stereo_Count	0
21864432	Mono_Isotopic_Weight	173.00861288
22084396	Undefined_Bond_Stereo_Count	0
85117	Total_Formal_Charge	0
91936940	Undefined_Atom_Stereo_Count	0
58823276	Exact_Mass	360.137496527
58044790	Undefined_Atom_Stereo_Count	0
136183442	Hydrogen_Bond_Acceptor_Count	8
20928	Undefined_Bond_Stereo_Count	0
57079767	Total_Formal_Charge	0
10775	Defined_Bond_Stereo_Count	0
19608838	TPSA	41.6
4070	Undefined_Atom_Stereo_Count	0
12743036	XLogP3-AA	0.6
90019869	Isotope_Atom_Count	0
2782524	Undefined_Atom_Stereo_Count	0
89793222	Hydrogen_Bond_Acceptor_Count	2
2764876	TPSA	63.4
123492457	Hydrogen_Bond_Acceptor_Count	0
94671	Undefined_Atom_Stereo_Count	0
72416	TPSA	46.2
67742	Covalent_Unit_Count	1
588352	Rotatable_Bond_Count	7
44353367	Defined_Atom_Stereo_Count	0
57892450	Hydrogen_Bond_Donor_Count	1
7400	Structure_Complexity	211
16090272	Rotatable_Bond_Count	4
146680	TPSA	109
24875372	Undefined_Atom_Stereo_Count	0
135546482	Undefined_Atom_Stereo_Count	0
15293	Undefined_Atom_Stereo_Count	0
73357703	Hydrogen_Bond_Donor_Count	1
3375	Mono_Isotopic_Weight	410.19048031
139584807	Hydrogen_Bond_Donor_Count	1
126962001	Non-hydrogen_Atom_Count	55
13191055	Hydrogen_Bond_Acceptor_Count	2
593919	Non-hydrogen_Atom_Count	10
5464097	Molecular_Weight	402.5
24760653	Hydrogen_Bond_Acceptor_Count	6
6713443	Rotatable_Bond_Count	1
135437	Undefined_Atom_Stereo_Count	0
70023156	Mono_Isotopic_Weight	111.068413911
14988399	Exact_Mass	85.089149355
136648	Total_Formal_Charge	0
19896519	Defined_Atom_Stereo_Count	0
5745	Molecular_Weight	402.5
68740500	Rotatable_Bond_Count	3
5311110	Total_Formal_Charge	0
637084	Total_Formal_Charge	0
116	Defined_Bond_Stereo_Count	0
53321470	Rotatable_Bond_Count	6
136516	Tautomer_Count	1
121296846	Hydrogen_Bond_Acceptor_Count	2
442872	Rotatable_Bond_Count	0
81530	Non-hydrogen_Atom_Count	9
65013	Defined_Atom_Stereo_Count	0
12711601	Covalent_Unit_Count	1
119830	Defined_Bond_Stereo_Count	0
139584807	Defined_Bond_Stereo_Count	1
144459	Molecular_Weight	192.3
54688706	Total_Formal_Charge	0
1016	TPSA	130
55288974	Defined_Atom_Stereo_Count	0
16008685	Total_Formal_Charge	0
69421	Total_Formal_Charge	0
5459377	Defined_Bond_Stereo_Count	0
17928	Mono_Isotopic_Weight	243.08954328
122760	Exact_Mass	116.01566732
12394844	Defined_Bond_Stereo_Count	0
59874134	Molecular_Weight	98.14
44563327	Molecular_Weight	518.4
8907	Tautomer_Count	1
76579279	Undefined_Bond_Stereo_Count	0
15116	TPSA	45.3
66071	Exact_Mass	88.100048391
537677	Covalent_Unit_Count	1
90957031	Covalent_Unit_Count	1
159563	Hydrogen_Bond_Donor_Count	2
19027815	Covalent_Unit_Count	1
53737519	Non-hydrogen_Atom_Count	7
44310707	Hydrogen_Bond_Donor_Count	1
20607916	Hydrogen_Bond_Donor_Count	0
97046	Rotatable_Bond_Count	11
3661	Structure_Complexity	353
24781	Non-hydrogen_Atom_Count	7
11004	Covalent_Unit_Count	1
904857	Non-hydrogen_Atom_Count	16
57029485	XLogP3-AA	1.1
5369162	Total_Formal_Charge	0
73631	Covalent_Unit_Count	1
114831	Defined_Bond_Stereo_Count	0
79571	Rotatable_Bond_Count	5
53485229	Undefined_Atom_Stereo_Count	0
49869312	Defined_Bond_Stereo_Count	0
35726	Undefined_Atom_Stereo_Count	0
135449518	Defined_Bond_Stereo_Count	0
81233	Non-hydrogen_Atom_Count	14
118856278	Undefined_Bond_Stereo_Count	0
21357280	Covalent_Unit_Count	1
7774	Covalent_Unit_Count	1
90425973	Hydrogen_Bond_Donor_Count	1
20517177	Undefined_Atom_Stereo_Count	0
21228	Undefined_Bond_Stereo_Count	0
24774912	Defined_Bond_Stereo_Count	0
40467346	Structure_Complexity	830
3341	Covalent_Unit_Count	1
72200848	XLogP3-AA	5.6
11612642	Mono_Isotopic_Weight	477.21761793
22924371	Hydrogen_Bond_Acceptor_Count	2
5361192	Rotatable_Bond_Count	9
21202	Mono_Isotopic_Weight	262.168127949
56928080	Covalent_Unit_Count	1
937394	Mono_Isotopic_Weight	178.110613074
10341191	Total_Formal_Charge	0
14022511	Undefined_Bond_Stereo_Count	0
4604	TPSA	108
87452564	Rotatable_Bond_Count	3
1976	Undefined_Bond_Stereo_Count	0
17549	Undefined_Atom_Stereo_Count	0
518700	TPSA	1
752	Mono_Isotopic_Weight	106.02660867
90788020	Exact_Mass	114.068079557
23689980	Undefined_Bond_Stereo_Count	0
101239377	Hydrogen_Bond_Acceptor_Count	10
378443	Hydrogen_Bond_Donor_Count	0
132236745	Exact_Mass	112.100048391
9579578	Undefined_Atom_Stereo_Count	0
57454999	Undefined_Atom_Stereo_Count	2
406167	Total_Formal_Charge	0
101297691	Rotatable_Bond_Count	9
79038	Tautomer_Count	2
17860	Tautomer_Count	1
4436	Hydrogen_Bond_Donor_Count	1
135475930	Total_Formal_Charge	0
70754	Hydrogen_Bond_Acceptor_Count	1
118328333	Undefined_Atom_Stereo_Count	0
556487	Isotope_Atom_Count	0
17909343	Exact_Mass	100.063662883
113	Undefined_Bond_Stereo_Count	0
88922160	Defined_Atom_Stereo_Count	12
96498	Covalent_Unit_Count	1
74390	Rotatable_Bond_Count	7
19428934	Undefined_Bond_Stereo_Count	0
52355	Undefined_Bond_Stereo_Count	0
439744	Mono_Isotopic_Weight	306.97054
69242	Undefined_Bond_Stereo_Count	0
126969212	Covalent_Unit_Count	1
909	TPSA	113
3659	Undefined_Atom_Stereo_Count	16
14454	Mono_Isotopic_Weight	102.104465066
10197650	Total_Formal_Charge	0
154809629	Defined_Bond_Stereo_Count	0
86254	Hydrogen_Bond_Acceptor_Count	1
3134	Isotope_Atom_Count	0
148191	XLogP3-AA	5.6
16756754	Mono_Isotopic_Weight	478.24318459
68476	Mono_Isotopic_Weight	144.068748264
64432	Total_Formal_Charge	0
54270986	Molecular_Weight	340.3
2786	Hydrogen_Bond_Donor_Count	4
97735	Mono_Isotopic_Weight	143.094628657
28327	Covalent_Unit_Count	3
135429738	Defined_Atom_Stereo_Count	0
54758501	Defined_Atom_Stereo_Count	0
67568	XLogP3-AA	3
10103794	TPSA	110
68059	Undefined_Atom_Stereo_Count	0
86761	Covalent_Unit_Count	1
13473	Mono_Isotopic_Weight	331.1161486
1778	Rotatable_Bond_Count	14
87106053	Isotope_Atom_Count	0
535634	Exact_Mass	81.057849228
70701092	Mono_Isotopic_Weight	199.95853
70813	Hydrogen_Bond_Donor_Count	0
1515	Molecular_Weight	224.26
76478	Mono_Isotopic_Weight	206.13382109
21703153	Hydrogen_Bond_Donor_Count	1
163090692	Total_Formal_Charge	0
47884	Rotatable_Bond_Count	7
53393586	Hydrogen_Bond_Acceptor_Count	16
22108	Isotope_Atom_Count	0
130957284	Hydrogen_Bond_Acceptor_Count	2
16211189	Non-hydrogen_Atom_Count	13
7381	Defined_Bond_Stereo_Count	0
33944	Rotatable_Bond_Count	2
67518	Covalent_Unit_Count	1
5282321	Hydrogen_Bond_Acceptor_Count	6
175967	TPSA	140
6815	XLogP3-AA	8.6
12623293	Tautomer_Count	1
9915039	TPSA	68.2
54023646	Rotatable_Bond_Count	1
23674215	Defined_Atom_Stereo_Count	0
61674	Defined_Bond_Stereo_Count	0
135443389	Structure_Complexity	142
2690	Non-hydrogen_Atom_Count	20
13751	Mono_Isotopic_Weight	254.178298710
57064571	Undefined_Bond_Stereo_Count	1
21874242	Hydrogen_Bond_Acceptor_Count	13
11332430	Structure_Complexity	132
91692850	Molecular_Weight	342.30
49248	Structure_Complexity	327
16401027	Total_Formal_Charge	0
6400	Defined_Atom_Stereo_Count	0
78031	TPSA	94.9
59277791	Exact_Mass	112.063662883
8658	Covalent_Unit_Count	1
44571915	Mono_Isotopic_Weight	433.0804889
18329011	Undefined_Bond_Stereo_Count	0
17046	Defined_Bond_Stereo_Count	0
12817963	Total_Formal_Charge	0
7023411	Undefined_Bond_Stereo_Count	0
9916998	Structure_Complexity	1070
108381	Tautomer_Count	3
262282	Hydrogen_Bond_Donor_Count	1
44719490	Rotatable_Bond_Count	6
141344	Undefined_Atom_Stereo_Count	1
11961	Structure_Complexity	192
72200110	Hydrogen_Bond_Acceptor_Count	3
33191	Hydrogen_Bond_Acceptor_Count	1
2761815	Hydrogen_Bond_Acceptor_Count	3
27295	Undefined_Atom_Stereo_Count	0
94860	Undefined_Atom_Stereo_Count	0
74864	Molecular_Weight	184.21
72200110	Defined_Atom_Stereo_Count	0
24827	Rotatable_Bond_Count	4
10290773	Hydrogen_Bond_Donor_Count	2
81080	Isotope_Atom_Count	0
44146693	Undefined_Bond_Stereo_Count	0
92279	Total_Formal_Charge	0
55113	Structure_Complexity	300
80822	Mono_Isotopic_Weight	695.08851438
447249	Non-hydrogen_Atom_Count	21
5169	TPSA	61.8
87251056	XLogP3-AA	0.3
4394	XLogP3-AA	2.5
141758021	Mono_Isotopic_Weight	112.052429494
136586	XLogP3-AA	1.4
4358655	Hydrogen_Bond_Acceptor_Count	3
16555	TPSA	104
3083868	Tautomer_Count	1
13791578	Structure_Complexity	84.2
59907918	Non-hydrogen_Atom_Count	23
3088997	Tautomer_Count	2
9957217	Covalent_Unit_Count	1
24978601	Undefined_Bond_Stereo_Count	0
3651377	Undefined_Atom_Stereo_Count	0
101914	Exact_Mass	131.94250
15277	Isotope_Atom_Count	0
10724	Rotatable_Bond_Count	0
298391	Undefined_Bond_Stereo_Count	0
444732	Defined_Bond_Stereo_Count	2
972025	Non-hydrogen_Atom_Count	20
10975412	Tautomer_Count	1
5282138	Non-hydrogen_Atom_Count	36
54303301	Structure_Complexity	70.1
232446	Structure_Complexity	269
56666341	Defined_Bond_Stereo_Count	0
115017	Hydrogen_Bond_Acceptor_Count	0
14089202	Total_Formal_Charge	0
46783786	Mono_Isotopic_Weight	458.0638210
13611196	Covalent_Unit_Count	1
139449	Hydrogen_Bond_Donor_Count	0
123870986	Non-hydrogen_Atom_Count	7
44462786	Undefined_Atom_Stereo_Count	0
12962854	Isotope_Atom_Count	0
14416612	Covalent_Unit_Count	1
76956848	Exact_Mass	249.1284273
193581	Exact_Mass	108.05349212
82593533	Covalent_Unit_Count	1
84647647	Defined_Atom_Stereo_Count	0
26388	Hydrogen_Bond_Acceptor_Count	6
5281082	Molecular_Weight	643.7
75783	TPSA	574
1505	Non-hydrogen_Atom_Count	19
22135	Isotope_Atom_Count	0
71467	Isotope_Atom_Count	0
74120	Tautomer_Count	1
3012	Undefined_Atom_Stereo_Count	0
11480402	Undefined_Bond_Stereo_Count	0
137218006	Hydrogen_Bond_Donor_Count	5
94544	Covalent_Unit_Count	1
122121	Tautomer_Count	1
83556	Total_Formal_Charge	0
752163	Rotatable_Bond_Count	7
115811143	Defined_Atom_Stereo_Count	0
107214	TPSA	35.5
46942	Non-hydrogen_Atom_Count	14
83971	Mono_Isotopic_Weight	892.47801345
77794	Undefined_Atom_Stereo_Count	0
236745	Molecular_Weight	269.72
14337609	Hydrogen_Bond_Donor_Count	0
124770287	Hydrogen_Bond_Donor_Count	7
66949337	Structure_Complexity	122
14795102	Hydrogen_Bond_Donor_Count	1
250074	Mono_Isotopic_Weight	166.062994177
20465494	Undefined_Bond_Stereo_Count	0
71683048	Total_Formal_Charge	0
7042	Molecular_Weight	128.13
5394	Non-hydrogen_Atom_Count	14
7291	Hydrogen_Bond_Donor_Count	3
3033817	Undefined_Bond_Stereo_Count	0
16584	Total_Formal_Charge	0
57692074	Isotope_Atom_Count	0
56683653	Defined_Atom_Stereo_Count	0
1091	Hydrogen_Bond_Donor_Count	2
12871456	Defined_Atom_Stereo_Count	0
13437377	Exact_Mass	110.084398327
117291	Rotatable_Bond_Count	16
64647	Covalent_Unit_Count	2
129635886	Hydrogen_Bond_Donor_Count	3
529267	Defined_Bond_Stereo_Count	0
573612	Total_Formal_Charge	0
15084312	Molecular_Weight	100.12
23666830	Undefined_Atom_Stereo_Count	1
21930509	Hydrogen_Bond_Donor_Count	1
60155100	Defined_Atom_Stereo_Count	0
137347967	Covalent_Unit_Count	1
68842	Tautomer_Count	4
1800393	Undefined_Atom_Stereo_Count	0
51030056	Non-hydrogen_Atom_Count	30
51001299	Defined_Atom_Stereo_Count	0
705228	XLogP3-AA	3.4
22385449	Non-hydrogen_Atom_Count	7
53724680	TPSA	12
15633846	Undefined_Bond_Stereo_Count	0
5724	Exact_Mass	439.95748
71306720	Isotope_Atom_Count	0
1549778	Structure_Complexity	230
21037713	Molecular_Weight	397.4
5491989	Defined_Atom_Stereo_Count	4
15001198	Hydrogen_Bond_Acceptor_Count	0
5326971	Mono_Isotopic_Weight	529.20066941
86132	Mono_Isotopic_Weight	291.1138399
24802149	Mono_Isotopic_Weight	180.06338810
46738768	XLogP3-AA	0.6
107377	TPSA	46.5
810229	Rotatable_Bond_Count	7
138322	Structure_Complexity	154
32756	Structure_Complexity	737
23679004	Total_Formal_Charge	0
139902903	Undefined_Bond_Stereo_Count	0
442196	Hydrogen_Bond_Acceptor_Count	4
4449	Defined_Atom_Stereo_Count	0
101955	Exact_Mass	102.0086696
74633	Rotatable_Bond_Count	5
61574	XLogP3-AA	5.6
12494777	Rotatable_Bond_Count	3
21083976	Exact_Mass	120.043596145
129848667	Total_Formal_Charge	0
41892	Hydrogen_Bond_Donor_Count	1
129015152	Undefined_Atom_Stereo_Count	0
17963347	Covalent_Unit_Count	1
452970	Rotatable_Bond_Count	2
17142	Hydrogen_Bond_Acceptor_Count	6
3084049	Covalent_Unit_Count	2
6618895	Undefined_Bond_Stereo_Count	0
11967809	Defined_Atom_Stereo_Count	0
450268	Tautomer_Count	6
46239	Molecular_Weight	275.77
83517	Tautomer_Count	1
4526530	Total_Formal_Charge	0
3878	Defined_Bond_Stereo_Count	0
11443	Structure_Complexity	265
20253	Non-hydrogen_Atom_Count	13
68638786	Covalent_Unit_Count	2
71751164	Isotope_Atom_Count	0
40784491	Mono_Isotopic_Weight	145.052763847
12291486	Molecular_Weight	104.15
49849621	Non-hydrogen_Atom_Count	30
10820489	Hydrogen_Bond_Acceptor_Count	1
141681	Tautomer_Count	1
904857	Total_Formal_Charge	0
49865355	Undefined_Atom_Stereo_Count	0
18606	Hydrogen_Bond_Donor_Count	0
22459174	Mono_Isotopic_Weight	113.03375974
139075879	Defined_Atom_Stereo_Count	0
6427770	XLogP3-AA	2.8
97065	Hydrogen_Bond_Donor_Count	0
54700	Tautomer_Count	1
254320	Hydrogen_Bond_Donor_Count	2
23552387	Hydrogen_Bond_Acceptor_Count	3
80376	Undefined_Bond_Stereo_Count	0
551592	Hydrogen_Bond_Donor_Count	0
131744	XLogP3-AA	0
24199050	Covalent_Unit_Count	1
69370	Hydrogen_Bond_Acceptor_Count	2
9457	Non-hydrogen_Atom_Count	12
6956367	TPSA	106
13519	XLogP3-AA	1.3
53993480	Covalent_Unit_Count	1
321	Defined_Bond_Stereo_Count	0
12229743	Structure_Complexity	52.8
11293	TPSA	75.9
53407792	Covalent_Unit_Count	1
135421783	Isotope_Atom_Count	0
227085	Rotatable_Bond_Count	2
140211	Undefined_Atom_Stereo_Count	0
31200	Mono_Isotopic_Weight	277.01738065
46871497	XLogP3-AA	0.6
53723270	Undefined_Atom_Stereo_Count	0
10866	Hydrogen_Bond_Donor_Count	0
618542	Hydrogen_Bond_Donor_Count	1
56841628	Total_Formal_Charge	4
74484	Rotatable_Bond_Count	1
6145	Isotope_Atom_Count	0
5311429	Hydrogen_Bond_Donor_Count	2
533662	TPSA	9.2
4194	Hydrogen_Bond_Donor_Count	1
101249755	Non-hydrogen_Atom_Count	25
14205264	Hydrogen_Bond_Acceptor_Count	4
90725416	Mono_Isotopic_Weight	904.44565070
54581335	Rotatable_Bond_Count	4
73167270	Hydrogen_Bond_Acceptor_Count	2
65432	Total_Formal_Charge	0
49855250	Hydrogen_Bond_Donor_Count	2
88705	Mono_Isotopic_Weight	135.104799419
22998467	Defined_Bond_Stereo_Count	0
7843	Total_Formal_Charge	0
82143	Covalent_Unit_Count	1
160765	Mono_Isotopic_Weight	120.02450067
71311215	XLogP3-AA	0.4
5270576	Structure_Complexity	413
20952	Defined_Atom_Stereo_Count	0
1549521	Defined_Bond_Stereo_Count	1
7156899	Molecular_Weight	342.30
12539494	Exact_Mass	94.078250319
143337	Defined_Atom_Stereo_Count	0
91423682	Undefined_Bond_Stereo_Count	0
24721540	Covalent_Unit_Count	2
208836	Non-hydrogen_Atom_Count	28
93	Undefined_Atom_Stereo_Count	0
4796	Hydrogen_Bond_Donor_Count	7
25127621	Molecular_Weight	395.4
7394	Molecular_Weight	180.55
5462951	Covalent_Unit_Count	1
5256168	Undefined_Bond_Stereo_Count	0
2051	Molecular_Weight	315.75
23190	Defined_Atom_Stereo_Count	4
941	Molecular_Weight	336.21
54236977	Hydrogen_Bond_Acceptor_Count	1
2120	Hydrogen_Bond_Donor_Count	1
8425	Covalent_Unit_Count	1
10342	Molecular_Weight	88.11
87595695	Non-hydrogen_Atom_Count	7
119097373	Covalent_Unit_Count	1
6815	Isotope_Atom_Count	0
81097	Mono_Isotopic_Weight	173.0243562
122316	Structure_Complexity	212
71593	Mono_Isotopic_Weight	149.07014524
21917899	Non-hydrogen_Atom_Count	13
80416	Undefined_Atom_Stereo_Count	0
4692287	XLogP3	3.9
141319360	Undefined_Atom_Stereo_Count	0
19080487	Hydrogen_Bond_Acceptor_Count	1
68056645	Non-hydrogen_Atom_Count	8
45120331	Molecular_Weight	112.17
442294	Total_Formal_Charge	0
58550597	Isotope_Atom_Count	0
60196364	Molecular_Weight	538.5
11541511	Molecular_Weight	576.7
13432	Exact_Mass	187.063328530
105024	Isotope_Atom_Count	0
6438129	Mono_Isotopic_Weight	405.12460863
447377	Mono_Isotopic_Weight	449.07873832
29773	Tautomer_Count	1
14022511	Undefined_Atom_Stereo_Count	0
123923638	Exact_Mass	60.076679465
54678431	Undefined_Bond_Stereo_Count	0
17234	Defined_Bond_Stereo_Count	0
10029970	Isotope_Atom_Count	0
2724372	Structure_Complexity	412
132277953	Isotope_Atom_Count	0
53442201	XLogP3-AA	2.6
142034647	Hydrogen_Bond_Acceptor_Count	2
140211	Defined_Atom_Stereo_Count	0
70751	Total_Formal_Charge	0
1562	Hydrogen_Bond_Donor_Count	3
16987	Total_Formal_Charge	0
91326539	Hydrogen_Bond_Acceptor_Count	0
19027501	Rotatable_Bond_Count	3
4708	Structure_Complexity	433
71430	TPSA	98.4
5460700	Tautomer_Count	1
222714	Undefined_Bond_Stereo_Count	0
24860518	Covalent_Unit_Count	1
121207426	Structure_Complexity	165
344644	Exact_Mass	310.15689456
21339024	Defined_Atom_Stereo_Count	0
101973938	Rotatable_Bond_Count	4
91419167	Total_Formal_Charge	0
90813484	Total_Formal_Charge	0
2435	Defined_Bond_Stereo_Count	0
6411	Tautomer_Count	1
28639	Tautomer_Count	1
3067270	Structure_Complexity	343
178144	TPSA	37.7
4915	Mono_Isotopic_Weight	221.152812238
7098680	TPSA	61.9
19601937	Total_Formal_Charge	0
75654	Undefined_Bond_Stereo_Count	0
67411	Non-hydrogen_Atom_Count	21
9319	Mono_Isotopic_Weight	285.17625028
123608	Hydrogen_Bond_Acceptor_Count	4
15530	Tautomer_Count	1
148931547	Mono_Isotopic_Weight	1201.84136802
12636246	Hydrogen_Bond_Acceptor_Count	2
263	Structure_Complexity	13.1
3769881	Hydrogen_Bond_Donor_Count	1
22628	XLogP3-AA	2.2
4357	Structure_Complexity	246
98930	Hydrogen_Bond_Acceptor_Count	2
73386890	Rotatable_Bond_Count	8
134129158	TPSA	77.6
1549097	Undefined_Bond_Stereo_Count	0
45410	Non-hydrogen_Atom_Count	19
80786	Isotope_Atom_Count	0
10423	Mono_Isotopic_Weight	58.041864811
11499204	Rotatable_Bond_Count	0
53323740	Defined_Atom_Stereo_Count	0
144525	Isotope_Atom_Count	0
13140652	Undefined_Bond_Stereo_Count	0
10177255	Hydrogen_Bond_Donor_Count	2
80875	Exact_Mass	462.136827821
21943184	Total_Formal_Charge	0
55142	Exact_Mass	265.110278721
135398597	Total_Formal_Charge	0
447043	Hydrogen_Bond_Acceptor_Count	14
427842	Covalent_Unit_Count	1
5976	Exact_Mass	60.068748264
33925	Undefined_Atom_Stereo_Count	0
45073437	Hydrogen_Bond_Acceptor_Count	2
100380	Rotatable_Bond_Count	1
76692	Covalent_Unit_Count	1
90393	Isotope_Atom_Count	0
89216	Rotatable_Bond_Count	4
17028077	Defined_Bond_Stereo_Count	0
137808	Hydrogen_Bond_Acceptor_Count	1
21490223	Hydrogen_Bond_Donor_Count	1
9902	Non-hydrogen_Atom_Count	24
12300006	Non-hydrogen_Atom_Count	39
676454	Non-hydrogen_Atom_Count	10
6918939	Hydrogen_Bond_Donor_Count	2
4008	TPSA	117
559072	Mono_Isotopic_Weight	100.088815002
6432565	Mono_Isotopic_Weight	272.177630004
15103	Isotope_Atom_Count	0
13600041	Non-hydrogen_Atom_Count	7
9395	Mono_Isotopic_Weight	275.05587416
66678	Hydrogen_Bond_Donor_Count	1
62329	XLogP3-AA	3.8
59973	Rotatable_Bond_Count	10
26421	Non-hydrogen_Atom_Count	10
12199010	Defined_Bond_Stereo_Count	0
50222	Non-hydrogen_Atom_Count	31
97860	Exact_Mass	254.094294304
74195	Undefined_Atom_Stereo_Count	0
114017	Total_Formal_Charge	0
80900	Covalent_Unit_Count	1
151318	Defined_Atom_Stereo_Count	0
285033	Isotope_Atom_Count	0
57461895	Covalent_Unit_Count	1
11188898	Isotope_Atom_Count	0
44298618	XLogP3-AA	6.9
616236	Defined_Atom_Stereo_Count	0
6603	Structure_Complexity	131
99058	Hydrogen_Bond_Donor_Count	6
6559	XLogP3	0.5
56202	Undefined_Atom_Stereo_Count	1
11655939	Covalent_Unit_Count	1
9577221	XLogP3-AA	3.2
75066	Undefined_Atom_Stereo_Count	0
2467	Defined_Bond_Stereo_Count	0
123631	Rotatable_Bond_Count	8
12046	Isotope_Atom_Count	0
161930	Hydrogen_Bond_Donor_Count	2
9909684	Undefined_Atom_Stereo_Count	0
15375	Non-hydrogen_Atom_Count	8
17148	Isotope_Atom_Count	0
81650	Defined_Atom_Stereo_Count	0
444742	Mono_Isotopic_Weight	1379.2204766
70487	Isotope_Atom_Count	0
132939820	Hydrogen_Bond_Donor_Count	5
99451	Structure_Complexity	182
452977	Hydrogen_Bond_Acceptor_Count	5
49808	Undefined_Atom_Stereo_Count	4
2329	XLogP3-AA	3.3
94179	Hydrogen_Bond_Acceptor_Count	3
20323	TPSA	122
512138	Hydrogen_Bond_Donor_Count	3
6437859	Non-hydrogen_Atom_Count	15
149208291	Structure_Complexity	96.4
57390867	Structure_Complexity	731
25229	Exact_Mass	1253.5549
57433782	Isotope_Atom_Count	0
6453851	Defined_Atom_Stereo_Count	0
161588	Rotatable_Bond_Count	3
133679779	Total_Formal_Charge	0
26715	Non-hydrogen_Atom_Count	14
38627	Tautomer_Count	1
46835136	Total_Formal_Charge	0
3085156	Exact_Mass	226.11398438
20298	Molecular_Weight	354.0
6866	Hydrogen_Bond_Donor_Count	0
162501	Isotope_Atom_Count	0
398635	Covalent_Unit_Count	1
11753673	Exact_Mass	597.33150487
55286809	Hydrogen_Bond_Acceptor_Count	2
11983210	Undefined_Bond_Stereo_Count	0
137	Hydrogen_Bond_Donor_Count	2
5357258	TPSA	0
155294764	Rotatable_Bond_Count	14
534439	TPSA	9.2
93083	Hydrogen_Bond_Acceptor_Count	2
493662	Molecular_Weight	1139.3
5365773	Molecular_Weight	254.41
105709961	Total_Formal_Charge	0
53405	Hydrogen_Bond_Donor_Count	2
81936	Undefined_Atom_Stereo_Count	0
121233219	Molecular_Weight	126.18
6435808	Defined_Bond_Stereo_Count	1
16106	Defined_Bond_Stereo_Count	0
23675456	Rotatable_Bond_Count	16
156255626	Defined_Atom_Stereo_Count	0
30107	XLogP3-AA	4.6
71361084	Defined_Atom_Stereo_Count	0
5189	XLogP3-AA	3.2
64655	TPSA	86.2
35970	Undefined_Atom_Stereo_Count	0
5284600	Hydrogen_Bond_Acceptor_Count	5
53896476	Hydrogen_Bond_Acceptor_Count	1
67266053	Molecular_Weight	99.17
154202106	TPSA	62.7
72495	Structure_Complexity	976
53735	Hydrogen_Bond_Acceptor_Count	4
24825253	Total_Formal_Charge	0
129760006	Molecular_Weight	1930.4
166592	Defined_Bond_Stereo_Count	0
56668950	Non-hydrogen_Atom_Count	38
11480402	Undefined_Atom_Stereo_Count	0
364836	Structure_Complexity	117
134692791	Isotope_Atom_Count	0
27430	Undefined_Bond_Stereo_Count	0
60285	Undefined_Atom_Stereo_Count	0
43833377	Non-hydrogen_Atom_Count	37
22833294	XLogP3-AA	5.1
4195	TPSA	93.8
8870	Undefined_Bond_Stereo_Count	0
522007	Tautomer_Count	1
20472042	Exact_Mass	140.047344113
92843	Defined_Atom_Stereo_Count	1
70106	Hydrogen_Bond_Donor_Count	0
54300272	Isotope_Atom_Count	0
68651	Defined_Atom_Stereo_Count	0
24865620	XLogP3-AA	5.9
37109	Hydrogen_Bond_Donor_Count	1
7106	Undefined_Bond_Stereo_Count	0
57038995	Exact_Mass	96.057514874
53466062	TPSA	85.1
20033044	Non-hydrogen_Atom_Count	8
44349142	Exact_Mass	765.42004509
134689739	Undefined_Atom_Stereo_Count	0
53833568	Covalent_Unit_Count	1
7817	Tautomer_Count	6
11750	Rotatable_Bond_Count	1
87815038	Isotope_Atom_Count	0
41718	Hydrogen_Bond_Donor_Count	0
354785	XLogP3	0.2
16994	Exact_Mass	208.12283153
118010650	Undefined_Bond_Stereo_Count	0
24397	Hydrogen_Bond_Donor_Count	2
18600	Exact_Mass	458.060754
29051	Non-hydrogen_Atom_Count	76
10518	Total_Formal_Charge	0
77967	Molecular_Weight	256.23
62766	Exact_Mass	245.954854
74995	Rotatable_Bond_Count	0
75921	Structure_Complexity	291
93884	Structure_Complexity	270
22675	Total_Formal_Charge	0
9823302	Exact_Mass	421.036590
2063	Total_Formal_Charge	0
90479	Non-hydrogen_Atom_Count	18
4340561	Molecular_Weight	123.18
54601825	Structure_Complexity	1410
92775	Molecular_Weight	272.25
4180	Mono_Isotopic_Weight	293.03675924
72331	Non-hydrogen_Atom_Count	38
146779553	Undefined_Bond_Stereo_Count	0
21956312	Covalent_Unit_Count	1
65489	Isotope_Atom_Count	0
12702016	Hydrogen_Bond_Acceptor_Count	1
253186	Hydrogen_Bond_Donor_Count	1
70752	Defined_Atom_Stereo_Count	0
9226	Covalent_Unit_Count	1
65700	Covalent_Unit_Count	1
56890	Rotatable_Bond_Count	4
139088888	Undefined_Atom_Stereo_Count	0
6966	Defined_Bond_Stereo_Count	0
5283387	Isotope_Atom_Count	0
11319223	TPSA	121
468	TPSA	113
154914	Molecular_Weight	363.25
30143	Undefined_Bond_Stereo_Count	0
20930	Undefined_Bond_Stereo_Count	1
21123938	Rotatable_Bond_Count	2
118210311	Mono_Isotopic_Weight	110.011627311
25318	Isotope_Atom_Count	0
84072504	Total_Formal_Charge	0
75445	Non-hydrogen_Atom_Count	36
5165230	Hydrogen_Bond_Acceptor_Count	3
5284566	Hydrogen_Bond_Donor_Count	1
639391	Hydrogen_Bond_Acceptor_Count	3
638144	Hydrogen_Bond_Acceptor_Count	4
38088	Hydrogen_Bond_Donor_Count	1
86453	Molecular_Weight	429.8
6618895	Undefined_Atom_Stereo_Count	0
2645	XLogP3	0.6
587348	Isotope_Atom_Count	0
123840	Non-hydrogen_Atom_Count	23
10238746	Exact_Mass	435.28857743
34767	Molecular_Weight	171.19
77449069	Total_Formal_Charge	0
3052762	Undefined_Bond_Stereo_Count	0
9810773	Undefined_Bond_Stereo_Count	0
20553	XLogP3-AA	0.3
11513721	Rotatable_Bond_Count	20
5479529	Structure_Complexity	798
59693	Hydrogen_Bond_Donor_Count	0
58911	Undefined_Bond_Stereo_Count	0
6093	Undefined_Atom_Stereo_Count	0
14906718	Hydrogen_Bond_Donor_Count	2
45488116	Covalent_Unit_Count	1
18393	Rotatable_Bond_Count	3
60794	Mono_Isotopic_Weight	814.2185717
51026956	Undefined_Bond_Stereo_Count	0
3683036	Molecular_Weight	169.16
146223	Non-hydrogen_Atom_Count	36
144440	Undefined_Atom_Stereo_Count	1
85025	TPSA	3.9
80554	Tautomer_Count	4
12837	Structure_Complexity	185
151994	Undefined_Atom_Stereo_Count	0
6609	Defined_Atom_Stereo_Count	0
10967	Defined_Atom_Stereo_Count	0
5365369	Rotatable_Bond_Count	19
70682212	Rotatable_Bond_Count	4
89076189	Total_Formal_Charge	0
71433	Defined_Bond_Stereo_Count	0
60529	Exact_Mass	281.1182566
15558640	Undefined_Bond_Stereo_Count	0
1412	Undefined_Atom_Stereo_Count	1
3461	Undefined_Atom_Stereo_Count	3
138062	TPSA	0
656580	Non-hydrogen_Atom_Count	27
16161315	Rotatable_Bond_Count	26
9614919	Isotope_Atom_Count	0
15221251	Molecular_Weight	322.28
53670643	Mono_Isotopic_Weight	114.042927438
23671562	Non-hydrogen_Atom_Count	40
119119	Undefined_Bond_Stereo_Count	0
6324	XLogP3-AA	1.3
10788	Hydrogen_Bond_Donor_Count	0
45270144	Total_Formal_Charge	0
30874	Exact_Mass	180.187800766
9837124	Isotope_Atom_Count	0
16836	Hydrogen_Bond_Acceptor_Count	5
132999	Defined_Bond_Stereo_Count	0
12866369	Undefined_Atom_Stereo_Count	2
135935707	Structure_Complexity	276
16683101	Rotatable_Bond_Count	3
360129	Non-hydrogen_Atom_Count	28
14913584	Molecular_Weight	106.13
54025583	Defined_Bond_Stereo_Count	0
449284	Defined_Atom_Stereo_Count	0
49750	Undefined_Atom_Stereo_Count	0
3662	Non-hydrogen_Atom_Count	39
14925	Structure_Complexity	192
70255	Total_Formal_Charge	0
22924371	Rotatable_Bond_Count	0
2734819	Undefined_Atom_Stereo_Count	0
11372270	Molecular_Weight	375.3
89125265	Exact_Mass	107.073499291
10313094	Undefined_Bond_Stereo_Count	0
72959169	Undefined_Bond_Stereo_Count	1
4730	Isotope_Atom_Count	0
65064	Total_Formal_Charge	0
57267	Molecular_Weight	340.8
6918606	Hydrogen_Bond_Acceptor_Count	13
5362	Hydrogen_Bond_Acceptor_Count	6
151093	Undefined_Atom_Stereo_Count	0
16932	Undefined_Atom_Stereo_Count	0
69462	Hydrogen_Bond_Acceptor_Count	4
133090	Defined_Bond_Stereo_Count	0
20093437	Covalent_Unit_Count	1
57557625	XLogP3-AA	4
121540407	Molecular_Weight	342.30
51951	Isotope_Atom_Count	0
14974	TPSA	228
45358158	Undefined_Atom_Stereo_Count	3
668390	Defined_Atom_Stereo_Count	0
8369	Exact_Mass	126.031694049
3034048	Undefined_Bond_Stereo_Count	0
54265485	Hydrogen_Bond_Donor_Count	2
102752	TPSA	17.1
68862	Undefined_Atom_Stereo_Count	1
1548898	Rotatable_Bond_Count	1
58775800	XLogP3-AA	0.1
18952630	Defined_Atom_Stereo_Count	0
71541189	Total_Formal_Charge	0
100308	Molecular_Weight	338.98
11789342	Isotope_Atom_Count	0
11061	Structure_Complexity	313
76	Mono_Isotopic_Weight	288.208930132
7629	Covalent_Unit_Count	1
87682885	Rotatable_Bond_Count	1
61240	Total_Formal_Charge	0
54077736	Defined_Atom_Stereo_Count	0
56963	Defined_Atom_Stereo_Count	0
66136	Hydrogen_Bond_Acceptor_Count	4
15736732	Defined_Atom_Stereo_Count	7
77442653	Defined_Atom_Stereo_Count	0
3123	Hydrogen_Bond_Donor_Count	4
143562	Covalent_Unit_Count	1
13184286	Defined_Bond_Stereo_Count	0
23277870	Rotatable_Bond_Count	3
12463	Total_Formal_Charge	0
3614338	Covalent_Unit_Count	1
12546498	Hydrogen_Bond_Donor_Count	0
24014	Undefined_Bond_Stereo_Count	0
970	Undefined_Bond_Stereo_Count	0
80302	Defined_Bond_Stereo_Count	0
5357253	Non-hydrogen_Atom_Count	8
3603	Defined_Bond_Stereo_Count	0
22472382	Molecular_Weight	113.11
5288564	Defined_Bond_Stereo_Count	0
123630180	Hydrogen_Bond_Donor_Count	0
24884255	Isotope_Atom_Count	0
3361	Undefined_Bond_Stereo_Count	0
52291	Hydrogen_Bond_Acceptor_Count	1
90441318	Covalent_Unit_Count	1
644020	Rotatable_Bond_Count	0
472812	Defined_Atom_Stereo_Count	0
8508	Rotatable_Bond_Count	9
34624	Mono_Isotopic_Weight	295.157228913
91473751	Total_Formal_Charge	0
86876	Molecular_Weight	168.19
47035	Exact_Mass	321.21781779
130037140	Covalent_Unit_Count	1
89753	Rotatable_Bond_Count	8
54688694	Tautomer_Count	288
90297	XLogP3-AA	2.7
19041912	Total_Formal_Charge	0
73292	Tautomer_Count	3
15950003	Hydrogen_Bond_Donor_Count	1
89512548	Total_Formal_Charge	0
456204	XLogP3-AA	1.9
140196487	Molecular_Weight	109.13
101995634	Exact_Mass	460.20971797
56955280	XLogP3-AA	4.6
963715	Rotatable_Bond_Count	6
5330213	TPSA	76.6
17466	Non-hydrogen_Atom_Count	38
11268547	Non-hydrogen_Atom_Count	25
10286159	Hydrogen_Bond_Acceptor_Count	3
11000	XLogP3	2.6
6279	Mono_Isotopic_Weight	386.24570956
3531736	XLogP3-AA	5.1
19816653	Covalent_Unit_Count	1
8123	XLogP3-AA	8
74329758	Undefined_Atom_Stereo_Count	2
13331108	Defined_Atom_Stereo_Count	0
11007917	Rotatable_Bond_Count	5
441397	Hydrogen_Bond_Donor_Count	2
166144333	Non-hydrogen_Atom_Count	8
12599701	Structure_Complexity	63.1
112230	Defined_Atom_Stereo_Count	0
6432640	Defined_Atom_Stereo_Count	1
5365794	Hydrogen_Bond_Donor_Count	0
31263	Defined_Atom_Stereo_Count	0
6917656	Rotatable_Bond_Count	2
702695	Structure_Complexity	244
129746471	Exact_Mass	96.021129366
6913	Total_Formal_Charge	0
119432	Defined_Bond_Stereo_Count	0
5710148	Total_Formal_Charge	0
12984	Hydrogen_Bond_Acceptor_Count	0
2734819	Defined_Atom_Stereo_Count	0
10866664	Undefined_Bond_Stereo_Count	0
11244031	Hydrogen_Bond_Acceptor_Count	3
637584	Defined_Bond_Stereo_Count	0
20526803	Hydrogen_Bond_Acceptor_Count	2
11768526	Total_Formal_Charge	0
115225	Non-hydrogen_Atom_Count	20
93532990	Undefined_Bond_Stereo_Count	0
11510932	Non-hydrogen_Atom_Count	31
83644	Defined_Bond_Stereo_Count	0
6437377	Defined_Atom_Stereo_Count	3
44755151	Isotope_Atom_Count	0
9823224	Non-hydrogen_Atom_Count	30
44446780	Structure_Complexity	272
8497	Molecular_Weight	167.12
92131803	Rotatable_Bond_Count	6
6989253	Total_Formal_Charge	0
6014	Non-hydrogen_Atom_Count	21
36382	Rotatable_Bond_Count	5
9909623	Covalent_Unit_Count	1
141411141	Rotatable_Bond_Count	0
4261	Defined_Atom_Stereo_Count	0
1549097	Undefined_Atom_Stereo_Count	0
5489410	Defined_Bond_Stereo_Count	1
625	Rotatable_Bond_Count	8
2795	Total_Formal_Charge	0
10952	Covalent_Unit_Count	1
74879	Structure_Complexity	224
45270588	Molecular_Weight	497.1
254598	Hydrogen_Bond_Donor_Count	0
85821	Hydrogen_Bond_Acceptor_Count	2
90977886	Structure_Complexity	96.6
71672	Covalent_Unit_Count	2
69684	Covalent_Unit_Count	1
129316724	Mono_Isotopic_Weight	327.202608250
84420187	Defined_Bond_Stereo_Count	0
139024568	Defined_Bond_Stereo_Count	0
81346	Defined_Atom_Stereo_Count	0
10737	Exact_Mass	225.115364102
3949	Covalent_Unit_Count	1
630689	Isotope_Atom_Count	0
5702609	Undefined_Bond_Stereo_Count	0
7858	Hydrogen_Bond_Acceptor_Count	1
118210808	Rotatable_Bond_Count	0
17617	Tautomer_Count	1
78323	Hydrogen_Bond_Donor_Count	2
115098	Undefined_Atom_Stereo_Count	0
156580481	Defined_Bond_Stereo_Count	0
12210217	XLogP3-AA	1.3
15951420	Covalent_Unit_Count	1
50990009	Undefined_Bond_Stereo_Count	0
134715513	Undefined_Bond_Stereo_Count	0
441141	Covalent_Unit_Count	1
15018	Undefined_Atom_Stereo_Count	0
5319754	Rotatable_Bond_Count	2
82611	Total_Formal_Charge	0
6602378	Defined_Bond_Stereo_Count	1
8006	Defined_Bond_Stereo_Count	0
129317062	Undefined_Atom_Stereo_Count	1
3567443	Structure_Complexity	305
23667630	Defined_Atom_Stereo_Count	3
31202	Exact_Mass	395.3318782
123247088	Hydrogen_Bond_Donor_Count	0
517121	Isotope_Atom_Count	0
92461203	Exact_Mass	313.1193192
17860	Exact_Mass	177.126597491
11521066	Exact_Mass	88.052429494
18622348	Rotatable_Bond_Count	1
77064	Mono_Isotopic_Weight	88.100048391
56680335	Hydrogen_Bond_Donor_Count	2
7511	Structure_Complexity	59.5
9570438	Undefined_Bond_Stereo_Count	0
18831	Molecular_Weight	145.55
453077	XLogP3-AA	3.2
69674285	Defined_Atom_Stereo_Count	0
62165	Undefined_Bond_Stereo_Count	1
22952912	Hydrogen_Bond_Acceptor_Count	2
5078	Undefined_Atom_Stereo_Count	0
11550004	Non-hydrogen_Atom_Count	7
105426940	Hydrogen_Bond_Donor_Count	2
449435	Covalent_Unit_Count	1
77554	Hydrogen_Bond_Acceptor_Count	2
139759	Defined_Bond_Stereo_Count	0
151171	Hydrogen_Bond_Acceptor_Count	3
10058	Isotope_Atom_Count	0
66545764	Structure_Complexity	880
5461	Defined_Bond_Stereo_Count	0
153	Defined_Atom_Stereo_Count	0
16312	Isotope_Atom_Count	0
5965	Covalent_Unit_Count	3
106567	Total_Formal_Charge	0
2858	Non-hydrogen_Atom_Count	61
140551	Isotope_Atom_Count	0
49784002	Hydrogen_Bond_Acceptor_Count	5
129694674	Exact_Mass	166.943465
91231076	XLogP3-AA	1.5
30373	Isotope_Atom_Count	0
759785	TPSA	114
12066	Undefined_Bond_Stereo_Count	0
20264925	Hydrogen_Bond_Acceptor_Count	2
85539715	Undefined_Bond_Stereo_Count	0
135476260	Structure_Complexity	932
57392610	Undefined_Atom_Stereo_Count	0
74229	Defined_Atom_Stereo_Count	0
15099876	Isotope_Atom_Count	0
53486170	Defined_Bond_Stereo_Count	0
24963252	Molecular_Weight	504.23
170249	Tautomer_Count	1
86620451	Undefined_Atom_Stereo_Count	0
165892084	Defined_Bond_Stereo_Count	0
636367	Mono_Isotopic_Weight	193.05863707
57392729	Undefined_Atom_Stereo_Count	0
87401	Defined_Bond_Stereo_Count	0
134824657	Non-hydrogen_Atom_Count	38
45116667	XLogP3-AA	0.4
13200	Mono_Isotopic_Weight	108.057514874
72402	Hydrogen_Bond_Acceptor_Count	6
22227	Isotope_Atom_Count	0
102	Hydrogen_Bond_Acceptor_Count	2
145875202	Defined_Atom_Stereo_Count	13
864969	Structure_Complexity	448
6996	Molecular_Weight	140.56
692791	Structure_Complexity	395
97120	Molecular_Weight	255.40
146646427	Non-hydrogen_Atom_Count	8
11339	Defined_Bond_Stereo_Count	0
145325785	Undefined_Bond_Stereo_Count	0
12715	Structure_Complexity	82.5
6004	Total_Formal_Charge	0
4042	Rotatable_Bond_Count	3
656665	Undefined_Atom_Stereo_Count	0
18380143	Covalent_Unit_Count	1
226147	Covalent_Unit_Count	1
2321	Structure_Complexity	805
657251	Hydrogen_Bond_Acceptor_Count	7
4163	Hydrogen_Bond_Donor_Count	2
5311070	Exact_Mass	267.125928785
3016	Isotope_Atom_Count	0
19830380	TPSA	60.7
101381993	Mono_Isotopic_Weight	191.02185764
9868950	Molecular_Weight	425.6
123704170	XLogP3-AA	2.3
144739862	Covalent_Unit_Count	1
54682930	Total_Formal_Charge	0
584645	Exact_Mass	302.06128010
2482	Structure_Complexity	174
69260946	XLogP3-AA	3.6
10931404	TPSA	37.3
5352728	Total_Formal_Charge	0
66602654	XLogP3-AA	0
91635	Non-hydrogen_Atom_Count	18
14232	Hydrogen_Bond_Donor_Count	1
71583044	Undefined_Atom_Stereo_Count	0
54739048	Total_Formal_Charge	0
66297	Structure_Complexity	8
439468	Hydrogen_Bond_Donor_Count	11
45806	Structure_Complexity	259
54292409	Structure_Complexity	98.7
151592	Covalent_Unit_Count	1
133635911	XLogP3-AA	4
46220502	Exact_Mass	506.27179938
11251522	Hydrogen_Bond_Acceptor_Count	12
129662986	Isotope_Atom_Count	0
515	Hydrogen_Bond_Acceptor_Count	7
44521019	Rotatable_Bond_Count	6
5384293	Covalent_Unit_Count	1
67435079	Defined_Bond_Stereo_Count	0
11523	Tautomer_Count	1
12950121	Covalent_Unit_Count	1
58560	TPSA	24.8
89738255	Molecular_Weight	103.12
46836890	TPSA	84.9
119096	TPSA	80.7
65331	TPSA	475
21583979	Total_Formal_Charge	1
60201425	Isotope_Atom_Count	0
74441087	Total_Formal_Charge	1
156582420	TPSA	87
87985965	Covalent_Unit_Count	1
96281	Structure_Complexity	550
23687713	Covalent_Unit_Count	4
23677979	Molecular_Weight	208.21
31497	Mono_Isotopic_Weight	235.12084340
403805	Undefined_Bond_Stereo_Count	0
5078	Defined_Atom_Stereo_Count	0
14587284	Total_Formal_Charge	0
76152	Mono_Isotopic_Weight	140.04081944
5282200	Undefined_Bond_Stereo_Count	0
4944	Undefined_Atom_Stereo_Count	0
19363031	Total_Formal_Charge	0
71562042	Rotatable_Bond_Count	5
22238533	Hydrogen_Bond_Donor_Count	1
3336	Structure_Complexity	303
7713	Covalent_Unit_Count	1
2331	Exact_Mass	121.052763847
22013147	Defined_Atom_Stereo_Count	0
57306415	Isotope_Atom_Count	0
441073	Hydrogen_Bond_Donor_Count	1
4616292	TPSA	89.7
65546	Mono_Isotopic_Weight	151.099714038
54058352	Non-hydrogen_Atom_Count	8
14294229	Total_Formal_Charge	0
11857377	Molecular_Weight	244.25
19966535	Hydrogen_Bond_Donor_Count	4
1083	Covalent_Unit_Count	1
65871	Non-hydrogen_Atom_Count	26
7504	Covalent_Unit_Count	1
2733928	Structure_Complexity	219
170944	Undefined_Atom_Stereo_Count	0
57401371	Structure_Complexity	762
72207931	Defined_Atom_Stereo_Count	0
3003191	Undefined_Atom_Stereo_Count	1
2453	Mono_Isotopic_Weight	300.87379
21643653	Isotope_Atom_Count	0
12260467	XLogP3-AA	1.3
9007	Undefined_Bond_Stereo_Count	0
131704225	Non-hydrogen_Atom_Count	13
107715	Non-hydrogen_Atom_Count	45
57647726	Exact_Mass	324.183778013
246571	Hydrogen_Bond_Donor_Count	0
16129878	Mono_Isotopic_Weight	1700.1729741
3685	Total_Formal_Charge	0
15443631	Defined_Bond_Stereo_Count	0
23295738	Defined_Bond_Stereo_Count	0
829795	Non-hydrogen_Atom_Count	16
1471380	Rotatable_Bond_Count	4
60199965	Defined_Atom_Stereo_Count	2
13570	Structure_Complexity	39.2
49384	Undefined_Bond_Stereo_Count	0
716121	Hydrogen_Bond_Donor_Count	0
135177	Hydrogen_Bond_Acceptor_Count	3
156519226	Molecular_Weight	110.15
71898	Covalent_Unit_Count	2
182976	Isotope_Atom_Count	0
15951488	Non-hydrogen_Atom_Count	26
94294	Defined_Atom_Stereo_Count	0
92395	TPSA	119
102515495	Molecular_Weight	300.37
9794485	Rotatable_Bond_Count	3
73166146	Isotope_Atom_Count	0
5362893	Defined_Atom_Stereo_Count	0
126963444	Undefined_Atom_Stereo_Count	0
3052762	Undefined_Atom_Stereo_Count	0
5283748	Hydrogen_Bond_Acceptor_Count	3
257369	Non-hydrogen_Atom_Count	8
77890	Isotope_Atom_Count	0
520148	Hydrogen_Bond_Acceptor_Count	2
69064	Covalent_Unit_Count	1
30771	Defined_Atom_Stereo_Count	0
53807546	XLogP3-AA	0.8
215932	Hydrogen_Bond_Acceptor_Count	4
122623	Total_Formal_Charge	0
90997839	Exact_Mass	904.44565070
42104317	TPSA	78.9
56208	Molecular_Weight	385.4
136506065	Hydrogen_Bond_Donor_Count	2
568783	Isotope_Atom_Count	0
11051814	Structure_Complexity	116
23707296	Defined_Atom_Stereo_Count	0
54695720	Defined_Atom_Stereo_Count	4
2733484	Molecular_Weight	376.9
5473268	Non-hydrogen_Atom_Count	27
64017	Defined_Atom_Stereo_Count	0
132399083	Undefined_Atom_Stereo_Count	0
2129	Hydrogen_Bond_Donor_Count	2
1969	Structure_Complexity	248
95438	Rotatable_Bond_Count	3
63036	Defined_Atom_Stereo_Count	7
13529	TPSA	20.2
819291	Non-hydrogen_Atom_Count	8
68846936	Defined_Bond_Stereo_Count	0
1087331	Defined_Bond_Stereo_Count	0
15458	Molecular_Weight	128.17
4916	Non-hydrogen_Atom_Count	21
26444	Rotatable_Bond_Count	1
161104	Non-hydrogen_Atom_Count	24
67420384	Mono_Isotopic_Weight	110.048012819
23677971	Tautomer_Count	1
2781	Undefined_Bond_Stereo_Count	0
688469	Isotope_Atom_Count	0
156970	Undefined_Bond_Stereo_Count	0
145567316	Hydrogen_Bond_Donor_Count	1
223578	Defined_Atom_Stereo_Count	0
4205687	Undefined_Atom_Stereo_Count	0
6034	Undefined_Bond_Stereo_Count	0
71457010	Hydrogen_Bond_Acceptor_Count	5
12497562	Undefined_Atom_Stereo_Count	1
15266968	Tautomer_Count	1
38853	Undefined_Bond_Stereo_Count	0
23643935	Hydrogen_Bond_Donor_Count	4
23675622	Tautomer_Count	12
150986	Hydrogen_Bond_Acceptor_Count	3
65124	Undefined_Atom_Stereo_Count	0
97414	Mono_Isotopic_Weight	227.07284784
3316	Hydrogen_Bond_Acceptor_Count	2
25067411	Covalent_Unit_Count	1
236212	Undefined_Bond_Stereo_Count	0
7520	Exact_Mass	124.03467143
71435	Covalent_Unit_Count	3
11666	Defined_Atom_Stereo_Count	0
11558904	Structure_Complexity	465
4011	Isotope_Atom_Count	0
33286	Non-hydrogen_Atom_Count	10
23667657	Exact_Mass	435.9556460
3038512	Mono_Isotopic_Weight	380.19607403
177700	Defined_Bond_Stereo_Count	0
4635	Structure_Complexity	553
441406	Molecular_Weight	486.4
86181474	Defined_Bond_Stereo_Count	0
23700188	Undefined_Bond_Stereo_Count	0
55305	Undefined_Atom_Stereo_Count	1
129671450	Mono_Isotopic_Weight	71.037113783
22661080	Exact_Mass	112.063662883
77757	XLogP3-AA	15.6
179337	Mono_Isotopic_Weight	475.18172958
138062	Total_Formal_Charge	0
3584	Rotatable_Bond_Count	11
188414	Structure_Complexity	109
644160	Undefined_Atom_Stereo_Count	0
30843	Covalent_Unit_Count	1
10500527	Isotope_Atom_Count	0
5107	Exact_Mass	458.23179083
69578	Molecular_Weight	94.03
6364626	Undefined_Atom_Stereo_Count	0
101798	Hydrogen_Bond_Acceptor_Count	6
86213522	Defined_Atom_Stereo_Count	0
7121	TPSA	55.8
8395	Molecular_Weight	324.3
527855	Total_Formal_Charge	0
57202251	Covalent_Unit_Count	1
5282182	Isotope_Atom_Count	0
755686	Structure_Complexity	329
6481	Defined_Atom_Stereo_Count	0
78962	Isotope_Atom_Count	0
24771782	XLogP3-AA	4.7
24014	Undefined_Atom_Stereo_Count	0
3369	Molecular_Weight	302.73
535857	Structure_Complexity	68.8
5311449	Non-hydrogen_Atom_Count	44
45266912	XLogP3-AA	6.9
5353521	Exact_Mass	459.24210135
66	Molecular_Weight	163.00
69677	Mono_Isotopic_Weight	134.00918253
5311093	Rotatable_Bond_Count	18
1550330	Defined_Bond_Stereo_Count	2
61251	TPSA	38.3
8895	Total_Formal_Charge	0
111037	Tautomer_Count	1
14147082	Defined_Atom_Stereo_Count	0
47517	Exact_Mass	267.1026065
11078	Total_Formal_Charge	0
18954572	Isotope_Atom_Count	0
53319417	Mono_Isotopic_Weight	450.1346349
6112	Undefined_Bond_Stereo_Count	0
36689718	Isotope_Atom_Count	0
877	Defined_Bond_Stereo_Count	0
50587	Molecular_Weight	679.8
132586824	Rotatable_Bond_Count	3
23434975	Non-hydrogen_Atom_Count	7
67963	Rotatable_Bond_Count	0
63610	Defined_Atom_Stereo_Count	0
6438877	Structure_Complexity	520
11474	Rotatable_Bond_Count	1
26423	Non-hydrogen_Atom_Count	18
77160509	Exact_Mass	85.089149355
162649852	Covalent_Unit_Count	1
10026007	Covalent_Unit_Count	2
584	Undefined_Atom_Stereo_Count	1
134495	Rotatable_Bond_Count	6
647120	Exact_Mass	403.1274391
5546	Defined_Atom_Stereo_Count	0
102848	Exact_Mass	99.068413911
73442840	Total_Formal_Charge	0
8757	Hydrogen_Bond_Donor_Count	0
98954	Isotope_Atom_Count	0
74086836	Rotatable_Bond_Count	0
3073763	Structure_Complexity	221
4587	Hydrogen_Bond_Donor_Count	3
11137	Defined_Atom_Stereo_Count	0
1549065	Structure_Complexity	426
86472	Defined_Bond_Stereo_Count	0
8332	Rotatable_Bond_Count	3
123161	Rotatable_Bond_Count	0
25799416	Isotope_Atom_Count	0
134914194	Covalent_Unit_Count	1
12295391	Non-hydrogen_Atom_Count	8
582251	TPSA	45.8
657378	XLogP3	0.9
12284	Covalent_Unit_Count	1
101610369	Isotope_Atom_Count	0
68207	Rotatable_Bond_Count	1
91716	Exact_Mass	298.07759887
71453775	Isotope_Atom_Count	0
20352	Tautomer_Count	1
85687	Defined_Bond_Stereo_Count	0
746471	XLogP3-AA	1.2
145705668	Undefined_Bond_Stereo_Count	2
8360	Defined_Bond_Stereo_Count	0
6436606	Rotatable_Bond_Count	10
59665407	Undefined_Bond_Stereo_Count	0
68321727	Defined_Bond_Stereo_Count	0
93162	Defined_Bond_Stereo_Count	0
139059144	Non-hydrogen_Atom_Count	19
137224392	Covalent_Unit_Count	8
135437285	Rotatable_Bond_Count	2
58097518	Exact_Mass	98.036779430
1490119	Rotatable_Bond_Count	3
7242	Hydrogen_Bond_Acceptor_Count	1
3003004	XLogP3-AA	3.7
20392754	Defined_Bond_Stereo_Count	0
1341	Rotatable_Bond_Count	3
6437064	Exact_Mass	688.39751874
103439594	Hydrogen_Bond_Acceptor_Count	2
136585	TPSA	0
304016	Isotope_Atom_Count	0
232532	TPSA	17.1
14523483	Structure_Complexity	374
47471	Mono_Isotopic_Weight	473.013446
159968	Defined_Bond_Stereo_Count	0
11701673	Mono_Isotopic_Weight	263.956853
88859271	Hydrogen_Bond_Donor_Count	1
6440556	Exact_Mass	449.1005556
2807	TPSA	110
12480	Undefined_Atom_Stereo_Count	0
23675341	Hydrogen_Bond_Acceptor_Count	12
9678	Defined_Bond_Stereo_Count	0
18923030	Total_Formal_Charge	0
131414	Mono_Isotopic_Weight	218.094294304
89053261	Isotope_Atom_Count	0
6346	Undefined_Bond_Stereo_Count	0
715568	Non-hydrogen_Atom_Count	24
75579	Isotope_Atom_Count	0
164034646	Hydrogen_Bond_Donor_Count	1
5289205	Defined_Atom_Stereo_Count	5
11848	XLogP3-AA	0.4
6708701	Defined_Atom_Stereo_Count	2
6435801	Exact_Mass	250.07185858
136010411	Hydrogen_Bond_Acceptor_Count	3
9579050	Defined_Bond_Stereo_Count	1
11115995	Defined_Atom_Stereo_Count	0
13084	Isotope_Atom_Count	0
155903721	Mono_Isotopic_Weight	1347.582715
29665	Defined_Bond_Stereo_Count	0
21694866	Hydrogen_Bond_Donor_Count	1
107871	Mono_Isotopic_Weight	181.9537494
61917	Undefined_Atom_Stereo_Count	2
89219185	Structure_Complexity	61.1
48654	Isotope_Atom_Count	0
37511	Molecular_Weight	103.16
77663	Defined_Bond_Stereo_Count	0
163872485	Structure_Complexity	2330
544591	Hydrogen_Bond_Acceptor_Count	0
29348	Structure_Complexity	264
58357553	Undefined_Bond_Stereo_Count	0
8627	Exact_Mass	804.04570957
25561	Hydrogen_Bond_Donor_Count	3
10866282	Defined_Bond_Stereo_Count	0
5327131	Isotope_Atom_Count	0
9231	Rotatable_Bond_Count	0
10439	Covalent_Unit_Count	1
539001	TPSA	17.1
41779	Undefined_Bond_Stereo_Count	0
56670034	TPSA	74.7
54729367	Total_Formal_Charge	0
1549237	Defined_Bond_Stereo_Count	2
129847163	Isotope_Atom_Count	0
91778	Structure_Complexity	448
135692718	TPSA	50.7
24849168	Exact_Mass	316.14230712
7980	Defined_Bond_Stereo_Count	0
21414	Non-hydrogen_Atom_Count	21
77014	XLogP3	1.1
10214379	XLogP3-AA	0.4
7950	Hydrogen_Bond_Acceptor_Count	0
22706689	Rotatable_Bond_Count	1
5461025	Undefined_Atom_Stereo_Count	0
11804701	Defined_Bond_Stereo_Count	0
17049	Tautomer_Count	1
6917697	Covalent_Unit_Count	2
9912639	Isotope_Atom_Count	0
5729	XLogP3-AA	1.8
23079483	Isotope_Atom_Count	0
5311	Exact_Mass	264.14739250
606817	Molecular_Weight	211.13
54682651	Exact_Mass	342.0658866
10814237	Tautomer_Count	1
34051	Rotatable_Bond_Count	3
10131842	Hydrogen_Bond_Donor_Count	0
16654980	Covalent_Unit_Count	1
60815	Mono_Isotopic_Weight	376.19982200
5526	Molecular_Weight	157.21
10034582	Structure_Complexity	98
54370143	Mono_Isotopic_Weight	225.126597491
4690	XLogP3-AA	2.7
97725	Total_Formal_Charge	0
80542	Rotatable_Bond_Count	4
7211	Undefined_Atom_Stereo_Count	2
6695	Non-hydrogen_Atom_Count	33
94866	Structure_Complexity	311
70314955	Molecular_Weight	112.09
596	Hydrogen_Bond_Acceptor_Count	5
57258462	Defined_Bond_Stereo_Count	0
145068	Defined_Atom_Stereo_Count	0
36523	Isotope_Atom_Count	0
6419	Tautomer_Count	1
36218	TPSA	0
87282052	Molecular_Weight	103.08
141407440	Defined_Bond_Stereo_Count	0
67631	Defined_Atom_Stereo_Count	0
546902	Defined_Bond_Stereo_Count	0
12537312	Structure_Complexity	124
46944253	Molecular_Weight	468.2
535856	Defined_Bond_Stereo_Count	0
32592	Defined_Bond_Stereo_Count	0
71810	Total_Formal_Charge	1
11520819	Non-hydrogen_Atom_Count	64
11029787	Rotatable_Bond_Count	2
57399438	Exact_Mass	416.31512653
5280633	Undefined_Bond_Stereo_Count	0
23579326	Structure_Complexity	481
144731084	Hydrogen_Bond_Donor_Count	1
75345	Defined_Bond_Stereo_Count	0
63939	Undefined_Atom_Stereo_Count	0
65689	Exact_Mass	424.20971797
3068840	Defined_Atom_Stereo_Count	0
17827145	TPSA	24.4
78576	Molecular_Weight	189.26
4757	Defined_Atom_Stereo_Count	0
132940892	Rotatable_Bond_Count	10
19239	Undefined_Bond_Stereo_Count	0
53709010	Non-hydrogen_Atom_Count	13
24832091	Non-hydrogen_Atom_Count	31
54738	Non-hydrogen_Atom_Count	19
53965310	Undefined_Bond_Stereo_Count	0
53321481	XLogP3-AA	3.1
583941	Non-hydrogen_Atom_Count	16
71461541	Structure_Complexity	728
10953	Exact_Mass	100.052429494
11708	XLogP3-AA	1.9
450349	Structure_Complexity	31
22737404	Defined_Bond_Stereo_Count	0
65495	Exact_Mass	458.997796
46127	Hydrogen_Bond_Donor_Count	1
585	XLogP3-AA	1.4
45857	Defined_Atom_Stereo_Count	0
21583979	Hydrogen_Bond_Donor_Count	1
2093	Hydrogen_Bond_Acceptor_Count	0
67375395	Covalent_Unit_Count	1
62351	Covalent_Unit_Count	1
92943	Defined_Atom_Stereo_Count	1
9912474	XLogP3-AA	5.4
543562	Defined_Bond_Stereo_Count	0
196672	Isotope_Atom_Count	0
5282200	Undefined_Atom_Stereo_Count	0
99143	Total_Formal_Charge	0
50299	Tautomer_Count	2
223	Defined_Bond_Stereo_Count	0
11669698	Covalent_Unit_Count	1
96350	Defined_Atom_Stereo_Count	0
11832800	Hydrogen_Bond_Acceptor_Count	1
11722286	Covalent_Unit_Count	2
8512	Non-hydrogen_Atom_Count	17
141704	Defined_Bond_Stereo_Count	0
6427991	Hydrogen_Bond_Acceptor_Count	2
10067787	Molecular_Weight	370.9
6710776	TPSA	122
52943333	Isotope_Atom_Count	0
160051	Defined_Atom_Stereo_Count	0
10258	Tautomer_Count	5
39356	Isotope_Atom_Count	0
83694167	XLogP3-AA	1
16040270	Non-hydrogen_Atom_Count	14
129852933	Non-hydrogen_Atom_Count	19
98943	Covalent_Unit_Count	1
73082918	Hydrogen_Bond_Donor_Count	3
555285	Molecular_Weight	106.12
88396	Tautomer_Count	2
709	Rotatable_Bond_Count	3
821	XLogP3-AA	21.6
21777	Molecular_Weight	211.73
4934	Mono_Isotopic_Weight	368.22256882
57061642	Defined_Bond_Stereo_Count	0
78808	Non-hydrogen_Atom_Count	6
86222	Mono_Isotopic_Weight	411.0364312
118705487	Structure_Complexity	160
60134	Structure_Complexity	533
22772	Tautomer_Count	1
49799987	Covalent_Unit_Count	2
19693843	Defined_Atom_Stereo_Count	0
12200171	Non-hydrogen_Atom_Count	8
44590341	Undefined_Bond_Stereo_Count	0
139060478	Undefined_Bond_Stereo_Count	0
61930	Structure_Complexity	105
64689	Hydrogen_Bond_Acceptor_Count	6
11083859	Non-hydrogen_Atom_Count	8
517072	Non-hydrogen_Atom_Count	5
9872634	Covalent_Unit_Count	1
21783	Exact_Mass	237.10010796
16220095	Mono_Isotopic_Weight	525.24750046
129866077	TPSA	286
7075	Defined_Atom_Stereo_Count	0
23568701	Covalent_Unit_Count	1
21519577	Defined_Bond_Stereo_Count	0
14897389	Undefined_Bond_Stereo_Count	0
443376	Rotatable_Bond_Count	24
4816	Defined_Bond_Stereo_Count	0
5702073	Non-hydrogen_Atom_Count	25
5586	Rotatable_Bond_Count	3
135444779	Covalent_Unit_Count	1
8413	Exact_Mass	212.131348519
7826	Non-hydrogen_Atom_Count	10
137207	Covalent_Unit_Count	1
87468661	Structure_Complexity	124
19933	Structure_Complexity	238
54144903	Molecular_Weight	101.15
163199229	Mono_Isotopic_Weight	1128.44808525
61741273	Total_Formal_Charge	0
3034645	Non-hydrogen_Atom_Count	8
4555	Defined_Bond_Stereo_Count	0
656612	Exact_Mass	370.0150477
20333386	Exact_Mass	141.115364102
23677058	Covalent_Unit_Count	2
1060	Hydrogen_Bond_Acceptor_Count	3
65659	Total_Formal_Charge	0
65977	Isotope_Atom_Count	0
17607	Undefined_Bond_Stereo_Count	0
34	Hydrogen_Bond_Donor_Count	1
6093219	Molecular_Weight	339.5
21184953	Undefined_Bond_Stereo_Count	0
12431744	Isotope_Atom_Count	0
266651	Non-hydrogen_Atom_Count	47
69251960	Molecular_Weight	112.09
145948323	Exact_Mass	958.55145317
7846	Undefined_Bond_Stereo_Count	0
11152667	XLogP3-AA	2.3
70310	Hydrogen_Bond_Donor_Count	0
25210	Total_Formal_Charge	0
116701105	Isotope_Atom_Count	0
5773	Hydrogen_Bond_Donor_Count	1
11423563	TPSA	32.3
89422816	Hydrogen_Bond_Donor_Count	1
98282	Tautomer_Count	3
11589054	Undefined_Bond_Stereo_Count	0
197	Structure_Complexity	638
43672	Defined_Atom_Stereo_Count	4
5463858	Exact_Mass	303.14705815
81643	Defined_Atom_Stereo_Count	0
163090688	XLogP3-AA	2.1
10993649	Total_Formal_Charge	0
630882	Defined_Atom_Stereo_Count	0
11934	Tautomer_Count	1
53772109	Isotope_Atom_Count	0
125110	Isotope_Atom_Count	0
69860	Exact_Mass	156.05349212
63016	Non-hydrogen_Atom_Count	31
2706	Exact_Mass	526.27913494
80642	Rotatable_Bond_Count	2
3045380	Total_Formal_Charge	0
22591	Defined_Atom_Stereo_Count	0
11199	Defined_Atom_Stereo_Count	0
94021	Total_Formal_Charge	0
11062308	Undefined_Atom_Stereo_Count	0
21895931	Covalent_Unit_Count	1
119095461	Hydrogen_Bond_Acceptor_Count	3
2838	Mono_Isotopic_Weight	607.37336968
71887	Hydrogen_Bond_Acceptor_Count	6
6077765	Defined_Bond_Stereo_Count	1
148708	Exact_Mass	258.98441
518696	Undefined_Bond_Stereo_Count	0
21954793	Undefined_Atom_Stereo_Count	1
71377454	Rotatable_Bond_Count	1
11303	Exact_Mass	290.224580195
11715	Defined_Atom_Stereo_Count	0
118701016	Rotatable_Bond_Count	26
57400037	Mono_Isotopic_Weight	434.05538
533994	Covalent_Unit_Count	1
123868	Undefined_Bond_Stereo_Count	0
46936900	Mono_Isotopic_Weight	485.27536898
46204763	Total_Formal_Charge	0
785	Hydrogen_Bond_Acceptor_Count	2
53988715	Hydrogen_Bond_Acceptor_Count	3
656506	Undefined_Bond_Stereo_Count	1
81184	Tautomer_Count	3
155713	Undefined_Bond_Stereo_Count	0
44560807	Total_Formal_Charge	0
10886	Isotope_Atom_Count	0
46863	Exact_Mass	234.961448
163460608	Structure_Complexity	72.9
23253564	Hydrogen_Bond_Donor_Count	3
43295	Non-hydrogen_Atom_Count	23
64143	XLogP3-AA	5.7
5282367	Mono_Isotopic_Weight	444.302830514
6190	Defined_Bond_Stereo_Count	0
12288423	Hydrogen_Bond_Acceptor_Count	1
83904778	Mono_Isotopic_Weight	114.068079557
1429	Structure_Complexity	316
36690486	Undefined_Bond_Stereo_Count	0
92363	Rotatable_Bond_Count	1
15947217	Isotope_Atom_Count	0
57215030	Molecular_Weight	108.14
2299	Non-hydrogen_Atom_Count	32
82502376	Isotope_Atom_Count	0
15306	Exact_Mass	86.073164938
43708	Total_Formal_Charge	0
10509	Covalent_Unit_Count	1
23700188	Undefined_Atom_Stereo_Count	0
88580088	Undefined_Atom_Stereo_Count	0
72926	Isotope_Atom_Count	0
75064	Mono_Isotopic_Weight	154.02660867
60196352	Isotope_Atom_Count	0
5282350	Defined_Bond_Stereo_Count	2
34332	Hydrogen_Bond_Donor_Count	0
12468302	Defined_Atom_Stereo_Count	0
223578	Mono_Isotopic_Weight	330.21949481
9514	Covalent_Unit_Count	1
54012932	Exact_Mass	172.109944368
126963444	TPSA	356
242082	Structure_Complexity	119
61663	Undefined_Atom_Stereo_Count	0
19470	Isotope_Atom_Count	0
71624688	Total_Formal_Charge	0
14481877	Defined_Bond_Stereo_Count	0
70702306	Molecular_Weight	385.5
32359	Hydrogen_Bond_Acceptor_Count	3
17842471	Isotope_Atom_Count	0
4202286	Covalent_Unit_Count	1
9886917	Mono_Isotopic_Weight	394.15287181
136490	Exact_Mass	96.057514874
71342	Rotatable_Bond_Count	5
22386	Covalent_Unit_Count	1
15179483	Defined_Atom_Stereo_Count	1
71758314	Covalent_Unit_Count	1
3396	Total_Formal_Charge	0
68566969	TPSA	9.2
14230	Hydrogen_Bond_Acceptor_Count	1
94335	Total_Formal_Charge	0
3351	Mono_Isotopic_Weight	388.1189848
5166299	Defined_Atom_Stereo_Count	0
3050408	Structure_Complexity	836
92915	Isotope_Atom_Count	0
9785	Tautomer_Count	10
26651	Molecular_Weight	425.4
5281080	Defined_Atom_Stereo_Count	2
8432	Defined_Bond_Stereo_Count	0
6112	Undefined_Atom_Stereo_Count	0
4070	Structure_Complexity	66.6
42040	Hydrogen_Bond_Donor_Count	0
12414299	Total_Formal_Charge	0
447700	Exact_Mass	426.0650312
57516744	Undefined_Atom_Stereo_Count	0
54691185	XLogP3-AA	0.9
11949689	Defined_Bond_Stereo_Count	0
10329254	XLogP3-AA	1.2
88547603	Undefined_Atom_Stereo_Count	2
71533242	Undefined_Atom_Stereo_Count	1
75548	Molecular_Weight	130.19
3047855	Structure_Complexity	1450
57174031	Covalent_Unit_Count	1
60196352	Defined_Bond_Stereo_Count	0
44119608	Hydrogen_Bond_Donor_Count	1
5284557	Hydrogen_Bond_Acceptor_Count	2
133667882	Isotope_Atom_Count	0
27119	Molecular_Weight	216.66
1960	Isotope_Atom_Count	0
9815689	TPSA	50.1
68374	Tautomer_Count	9
65910	Hydrogen_Bond_Acceptor_Count	11
5702044	Undefined_Atom_Stereo_Count	6
18555	Total_Formal_Charge	0
20055404	Rotatable_Bond_Count	7
10078175	Hydrogen_Bond_Donor_Count	8
5122	Total_Formal_Charge	0
274070	Rotatable_Bond_Count	2
24857	Isotope_Atom_Count	0
88890027	Total_Formal_Charge	0
20157043	Hydrogen_Bond_Donor_Count	1
14200857	Hydrogen_Bond_Donor_Count	0
15228410	Exact_Mass	114.068079557
24809526	Molecular_Weight	373.4
61027	Defined_Bond_Stereo_Count	0
85742	Non-hydrogen_Atom_Count	32
4786	Hydrogen_Bond_Donor_Count	2
83528703	Exact_Mass	110.084398327
6857732	Defined_Atom_Stereo_Count	8
72075	Rotatable_Bond_Count	4
58024981	Exact_Mass	113.058911855
18406174	Hydrogen_Bond_Acceptor_Count	2
122376379	Defined_Atom_Stereo_Count	3
3045401	XLogP3-AA	2.8
60613	Hydrogen_Bond_Acceptor_Count	6
129016768	Hydrogen_Bond_Acceptor_Count	2
5275508	Non-hydrogen_Atom_Count	18
28280	Structure_Complexity	246
56661920	Non-hydrogen_Atom_Count	35
17168	Non-hydrogen_Atom_Count	17
139782102	Non-hydrogen_Atom_Count	7
446973	Exact_Mass	90.068079557
10486805	Defined_Atom_Stereo_Count	0
17071	Covalent_Unit_Count	1
1897	TPSA	77.8
62902	Molecular_Weight	144.21
69994	Undefined_Bond_Stereo_Count	0
20912	Structure_Complexity	93.8
9830667	Hydrogen_Bond_Donor_Count	3
13874664	Structure_Complexity	93.8
21679450	Molecular_Weight	107.11
66321	Molecular_Weight	133.9
535535	Hydrogen_Bond_Acceptor_Count	1
688	Isotope_Atom_Count	0
17273	XLogP3	5.4
12210218	Hydrogen_Bond_Acceptor_Count	2
49862626	Defined_Bond_Stereo_Count	0
9918381	Total_Formal_Charge	0
5352135	Mono_Isotopic_Weight	387.219829168
5977	Non-hydrogen_Atom_Count	8
65340	Exact_Mass	189.0556563
66130	Undefined_Bond_Stereo_Count	0
42609610	Covalent_Unit_Count	2
259361	XLogP3-AA	1
70763	Defined_Bond_Stereo_Count	0
17159	Hydrogen_Bond_Donor_Count	0
92024228	Non-hydrogen_Atom_Count	18
657302	Molecular_Weight	274.25
12401	Structure_Complexity	123
21743	Isotope_Atom_Count	0
21349800	Defined_Bond_Stereo_Count	0
92211533	XLogP3-AA	2.6
2539	Covalent_Unit_Count	1
247	Tautomer_Count	1
39622	Covalent_Unit_Count	1
58664	Rotatable_Bond_Count	3
3423265	Molecular_Weight	288.38
142552	Defined_Bond_Stereo_Count	0
73802	Undefined_Bond_Stereo_Count	0
10287749	Exact_Mass	413.30422750
12342	Molecular_Weight	88.07
91121093	Undefined_Atom_Stereo_Count	0
506015	Molecular_Weight	375.4
12664700	Undefined_Atom_Stereo_Count	1
452254	Exact_Mass	355.94971
36750	Mono_Isotopic_Weight	341.19909372
130509102	TPSA	56
129319344	Hydrogen_Bond_Acceptor_Count	2
52945780	Structure_Complexity	671
71420	Exact_Mass	512.1997337
21026	Undefined_Bond_Stereo_Count	0
5311023	Molecular_Weight	473.6
448042	Undefined_Atom_Stereo_Count	0
16074056	Hydrogen_Bond_Donor_Count	2
160157	Undefined_Atom_Stereo_Count	0
33960	Rotatable_Bond_Count	4
11040399	Covalent_Unit_Count	1
4523333	Undefined_Bond_Stereo_Count	0
23205	Exact_Mass	262.12050905
9936012	Mono_Isotopic_Weight	506.2336207
57399125	Exact_Mass	391.09324650
11397521	Tautomer_Count	7
11105318	TPSA	26
10351092	Undefined_Bond_Stereo_Count	0
398652	Molecular_Weight	429.5
11749756	Defined_Bond_Stereo_Count	0
16048622	Undefined_Bond_Stereo_Count	0
5780	Undefined_Bond_Stereo_Count	0
118610865	Total_Formal_Charge	0
71834	Mono_Isotopic_Weight	360.0061961
466151	Hydrogen_Bond_Acceptor_Count	8
230373	Non-hydrogen_Atom_Count	7
164511668	Molecular_Weight	230.22
11235729	TPSA	90.4
137843	Rotatable_Bond_Count	2
950975	Undefined_Bond_Stereo_Count	1
21879777	Non-hydrogen_Atom_Count	11
644273	Hydrogen_Bond_Acceptor_Count	3
8078	Defined_Bond_Stereo_Count	0
123679079	Undefined_Atom_Stereo_Count	2
261501	Exact_Mass	261.06709375
88371993	Defined_Atom_Stereo_Count	0
587	Mono_Isotopic_Weight	211.03580743
519963	Covalent_Unit_Count	1
27304	Undefined_Bond_Stereo_Count	0
69016240	Undefined_Atom_Stereo_Count	0
9244	Defined_Atom_Stereo_Count	0
51579	Defined_Atom_Stereo_Count	0
928367	XLogP3-AA	1.4
89453139	Molecular_Weight	110.11
58594768	Molecular_Weight	180.16
714	Total_Formal_Charge	0
2764407	Total_Formal_Charge	0
6956	Hydrogen_Bond_Acceptor_Count	2
550687	Non-hydrogen_Atom_Count	7
130993429	Total_Formal_Charge	0
18644925	Total_Formal_Charge	0
772	Defined_Atom_Stereo_Count	0
5374527	Hydrogen_Bond_Acceptor_Count	1
57514051	Tautomer_Count	999
66100	Mono_Isotopic_Weight	292.13910305
11185559	TPSA	56.7
92727	Hydrogen_Bond_Acceptor_Count	5
5279171	XLogP3-AA	3.3
34237	Undefined_Bond_Stereo_Count	0
7791	Rotatable_Bond_Count	12
12927947	Covalent_Unit_Count	1
17930361	Mono_Isotopic_Weight	112.125200510
104123	Structure_Complexity	156
9954083	XLogP3	4.5
11988	Total_Formal_Charge	0
10945834	Mono_Isotopic_Weight	280.13107373
48362	XLogP3-AA	3.2
58247682	Defined_Atom_Stereo_Count	0
19100334	Defined_Atom_Stereo_Count	0
25070195	Covalent_Unit_Count	1
76280	TPSA	23.8
9821945	Structure_Complexity	532
703	TPSA	356
7748	Non-hydrogen_Atom_Count	7
129670580	Defined_Atom_Stereo_Count	0
965784	Exact_Mass	332.9959485
12231382	Defined_Bond_Stereo_Count	0
153929434	Structure_Complexity	99.9
129631814	Covalent_Unit_Count	1
6324659	Hydrogen_Bond_Donor_Count	5
6399027	Covalent_Unit_Count	1
12038941	TPSA	3.9
11870241	Rotatable_Bond_Count	3
28660	Rotatable_Bond_Count	1
140796896	Undefined_Bond_Stereo_Count	1
409836	Rotatable_Bond_Count	4
59154995	Hydrogen_Bond_Acceptor_Count	2
4068533	Covalent_Unit_Count	2
55185	Hydrogen_Bond_Acceptor_Count	14
656597	Total_Formal_Charge	0
61136	Undefined_Bond_Stereo_Count	0
25126798	Rotatable_Bond_Count	4
159190124	TPSA	279
57424711	Hydrogen_Bond_Acceptor_Count	3
66909	Hydrogen_Bond_Acceptor_Count	4
278564	Undefined_Bond_Stereo_Count	0
102069	Non-hydrogen_Atom_Count	32
2734244	Exact_Mass	240.1420914
3025721	XLogP3	2.8
48419	Non-hydrogen_Atom_Count	24
36218	Total_Formal_Charge	0
11346	XLogP3	1.3
59896759	Mono_Isotopic_Weight	225.0449137
13184	Structure_Complexity	52.9
124584674	Undefined_Atom_Stereo_Count	0
22751786	Structure_Complexity	131
51755	Tautomer_Count	1
52931497	Defined_Atom_Stereo_Count	10
158553	Tautomer_Count	32
51030053	Covalent_Unit_Count	1
11719003	Rotatable_Bond_Count	7
884462	Covalent_Unit_Count	1
12452686	Defined_Atom_Stereo_Count	0
65770	XLogP3	3.4
15475335	Molecular_Weight	112.13
101658	Total_Formal_Charge	0
6035169	Rotatable_Bond_Count	2
11181836	Undefined_Bond_Stereo_Count	0
6509753	Total_Formal_Charge	0
6993773	Covalent_Unit_Count	1
73268	Structure_Complexity	196
819	Rotatable_Bond_Count	67
10138980	Undefined_Atom_Stereo_Count	0
14344952	Mono_Isotopic_Weight	112.063662883
441414	Hydrogen_Bond_Acceptor_Count	9
15732693	Undefined_Atom_Stereo_Count	1
68764493	Hydrogen_Bond_Donor_Count	1
53645872	Undefined_Bond_Stereo_Count	0
6956367	Rotatable_Bond_Count	2
65715	Isotope_Atom_Count	0
345367	Non-hydrogen_Atom_Count	8
53687318	Undefined_Atom_Stereo_Count	0
21864560	Molecular_Weight	1213.4
81263	Defined_Bond_Stereo_Count	0
687034	XLogP3-AA	3.7
101642132	Isotope_Atom_Count	0
529229	TPSA	49.7
49865703	Hydrogen_Bond_Acceptor_Count	4
44462985	Defined_Bond_Stereo_Count	0
3430	Undefined_Bond_Stereo_Count	4
46937020	Undefined_Bond_Stereo_Count	0
9828626	Total_Formal_Charge	0
6805	Mono_Isotopic_Weight	237.935512
44452662	XLogP3-AA	2.9
963699	Total_Formal_Charge	0
136101	Structure_Complexity	76.2
13520	Isotope_Atom_Count	0
10558601	Total_Formal_Charge	0
25133631	Mono_Isotopic_Weight	380.16485409
13719374	Undefined_Bond_Stereo_Count	0
2763	Structure_Complexity	333
93771	Total_Formal_Charge	0
42985	Hydrogen_Bond_Acceptor_Count	6
25271631	Defined_Bond_Stereo_Count	0
9930448	Defined_Bond_Stereo_Count	0
543014	Defined_Atom_Stereo_Count	0
77016	Covalent_Unit_Count	1
137240373	Covalent_Unit_Count	6
5353593	Non-hydrogen_Atom_Count	20
23688976	Defined_Bond_Stereo_Count	0
70333	Hydrogen_Bond_Donor_Count	0
68075820	Hydrogen_Bond_Acceptor_Count	1
57517	Isotope_Atom_Count	0
63784	Non-hydrogen_Atom_Count	22
522266	Undefined_Atom_Stereo_Count	5
54587596	Non-hydrogen_Atom_Count	32
545800	Undefined_Bond_Stereo_Count	0
2315	Defined_Bond_Stereo_Count	0
91599894	Rotatable_Bond_Count	0
88358812	Total_Formal_Charge	0
242364	Structure_Complexity	209
8072	Structure_Complexity	23.5
29089	Hydrogen_Bond_Donor_Count	18
54456063	Rotatable_Bond_Count	2
57328467	Covalent_Unit_Count	1
2799	Structure_Complexity	401
31645	XLogP3	1.7
11734	Undefined_Atom_Stereo_Count	1
26888	Undefined_Atom_Stereo_Count	0
26130	Non-hydrogen_Atom_Count	10
177084	XLogP3-AA	2.1
129885959	Structure_Complexity	1120
23677829	Isotope_Atom_Count	0
243400	TPSA	26.3
44644	Defined_Bond_Stereo_Count	0
585174	Covalent_Unit_Count	1
87962	Isotope_Atom_Count	0
13220	Undefined_Atom_Stereo_Count	0
10406	Exact_Mass	199.229999929
4775	Defined_Bond_Stereo_Count	0
121494085	Undefined_Bond_Stereo_Count	0
20673	Covalent_Unit_Count	2
14892	TPSA	40
518713	Covalent_Unit_Count	1
11656518	Hydrogen_Bond_Donor_Count	2
68385	Undefined_Atom_Stereo_Count	0
10687	Covalent_Unit_Count	1
12307804	Covalent_Unit_Count	1
129636048	Defined_Atom_Stereo_Count	6
12268623	Structure_Complexity	122
533460	Mono_Isotopic_Weight	71.073499291
68292207	TPSA	36
133066	Molecular_Weight	385.28
644213	Molecular_Weight	276.67
659840	Total_Formal_Charge	0
3154	Covalent_Unit_Count	1
139194519	Non-hydrogen_Atom_Count	32
1252759	Exact_Mass	152.120115130
44280082	Undefined_Bond_Stereo_Count	0
23677992	Tautomer_Count	4
4679699	Isotope_Atom_Count	0
11853779	Undefined_Bond_Stereo_Count	0
609844	Total_Formal_Charge	0
253602	TPSA	67.8
53757199	Covalent_Unit_Count	1
96098	Tautomer_Count	1
53665290	Exact_Mass	108.043596145
123228414	Isotope_Atom_Count	0
24757924	Undefined_Bond_Stereo_Count	0
54166403	Non-hydrogen_Atom_Count	8
55284046	Defined_Bond_Stereo_Count	0
134812007	Rotatable_Bond_Count	1
449169	Hydrogen_Bond_Donor_Count	2
13196775	Rotatable_Bond_Count	2
4641	Defined_Bond_Stereo_Count	0
6410	XLogP3-AA	0.6
8443	Tautomer_Count	3
44392131	Undefined_Atom_Stereo_Count	0
4916	Total_Formal_Charge	0
3017434	Undefined_Bond_Stereo_Count	0
2913	Covalent_Unit_Count	1
23087	Undefined_Atom_Stereo_Count	0
51039095	Mono_Isotopic_Weight	463.25833993
61254	Hydrogen_Bond_Acceptor_Count	3
90614	Covalent_Unit_Count	1
176166	Tautomer_Count	3
14897389	Defined_Atom_Stereo_Count	0
20393	Covalent_Unit_Count	1
5353760	Hydrogen_Bond_Donor_Count	1
31398	Hydrogen_Bond_Donor_Count	0
89402065	Exact_Mass	111.043261792
2155	Hydrogen_Bond_Donor_Count	1
89206022	Hydrogen_Bond_Donor_Count	4
533427	Total_Formal_Charge	0
55285775	Defined_Atom_Stereo_Count	0
58190643	Defined_Atom_Stereo_Count	0
123455	Undefined_Bond_Stereo_Count	0
11517780	Non-hydrogen_Atom_Count	29
524954	Covalent_Unit_Count	1
135005	Mono_Isotopic_Weight	196.063662883
57402175	Hydrogen_Bond_Acceptor_Count	11
59296041	Rotatable_Bond_Count	8
71583157	XLogP3-AA	4
85976378	Undefined_Atom_Stereo_Count	2
88022	Covalent_Unit_Count	1
116161184	Isotope_Atom_Count	0
21668201	Hydrogen_Bond_Donor_Count	2
72200631	Mono_Isotopic_Weight	579.26411653
67246787	Hydrogen_Bond_Donor_Count	1
34632	Undefined_Atom_Stereo_Count	0
5791	Exact_Mass	275.1288213
70383887	Defined_Atom_Stereo_Count	0
3862646	Mono_Isotopic_Weight	612.7618
11251803	Defined_Atom_Stereo_Count	16
6871216	Exact_Mass	511.99526894
101694728	Mono_Isotopic_Weight	450.01256932
15606	Defined_Atom_Stereo_Count	0
136837	Tautomer_Count	2
2480	Molecular_Weight	306.4
9692	Defined_Bond_Stereo_Count	0
134601	TPSA	119
15558642	Rotatable_Bond_Count	5
652	Defined_Bond_Stereo_Count	0
38883	Covalent_Unit_Count	1
21336418	Hydrogen_Bond_Donor_Count	0
10683	Hydrogen_Bond_Acceptor_Count	3
15983287	Undefined_Bond_Stereo_Count	0
19161	Defined_Atom_Stereo_Count	0
9120	TPSA	0
59567216	Covalent_Unit_Count	1
77487	Rotatable_Bond_Count	4
10271	TPSA	164
85047	Tautomer_Count	1
1413	Rotatable_Bond_Count	14
145842551	Structure_Complexity	114
12745213	Defined_Bond_Stereo_Count	0
128918	Undefined_Bond_Stereo_Count	0
54778	Defined_Bond_Stereo_Count	0
53627428	Undefined_Atom_Stereo_Count	0
68718	TPSA	193
53262012	Undefined_Atom_Stereo_Count	1
13487610	Undefined_Bond_Stereo_Count	0
9216	Hydrogen_Bond_Acceptor_Count	2
5287571	Undefined_Bond_Stereo_Count	0
8722	TPSA	72.7
62210	Structure_Complexity	548
24360	Total_Formal_Charge	0
12940701	Tautomer_Count	1
25203153	Undefined_Atom_Stereo_Count	0
40510	Isotope_Atom_Count	0
54016283	Structure_Complexity	45.8
139085145	Molecular_Weight	296.29
72257	TPSA	78.9
82755	TPSA	60.7
644017	Isotope_Atom_Count	0
11701	Non-hydrogen_Atom_Count	10
48640	Defined_Bond_Stereo_Count	0
12591942	Rotatable_Bond_Count	1
46587	Mono_Isotopic_Weight	253.15521754
14454	XLogP3-AA	1.6
87279973	Exact_Mass	111.032028402
156391	Mono_Isotopic_Weight	230.094294304
91668186	Tautomer_Count	288
88890027	Hydrogen_Bond_Donor_Count	0
81184	TPSA	15.6
92020576	Exact_Mass	146.05790880
76539	Molecular_Weight	403.6
10958914	Isotope_Atom_Count	1
12562238	Defined_Bond_Stereo_Count	0
7762	Undefined_Bond_Stereo_Count	0
3957	Rotatable_Bond_Count	2
15090448	Exact_Mass	114.068079557
16219944	Hydrogen_Bond_Donor_Count	5
8022	Defined_Atom_Stereo_Count	0
53232849	Structure_Complexity	96.3
89808883	Molecular_Weight	101.15
123452974	XLogP3-AA	1.2
24848413	Defined_Atom_Stereo_Count	0
80782	Defined_Atom_Stereo_Count	0
10766	Undefined_Atom_Stereo_Count	1
25104740	Covalent_Unit_Count	1
71716733	TPSA	33.2
45544	Molecular_Weight	221.29
5359624	Hydrogen_Bond_Donor_Count	0
49862768	XLogP3-AA	4.7
130121992	Defined_Atom_Stereo_Count	0
47510	Covalent_Unit_Count	1
2723754	Structure_Complexity	229
53741494	Undefined_Bond_Stereo_Count	0
5816	Undefined_Bond_Stereo_Count	0
143694905	Undefined_Bond_Stereo_Count	0
101254310	Rotatable_Bond_Count	1
905	Non-hydrogen_Atom_Count	12
162990680	Isotope_Atom_Count	0
137550	Isotope_Atom_Count	0
11589318	Defined_Atom_Stereo_Count	0
6347538	Defined_Atom_Stereo_Count	2
24825268	Undefined_Bond_Stereo_Count	0
21312986	Undefined_Bond_Stereo_Count	0
2114	Rotatable_Bond_Count	2
8594	Undefined_Atom_Stereo_Count	0
443955	Molecular_Weight	350.5
40467346	XLogP3-AA	5.7
456214	Covalent_Unit_Count	1
176960	Hydrogen_Bond_Donor_Count	1
81	Rotatable_Bond_Count	8
2099	Structure_Complexity	442
10890	Structure_Complexity	99.7
55285315	Defined_Atom_Stereo_Count	0
11949646	Defined_Atom_Stereo_Count	6
5702198	Tautomer_Count	1
1819	Defined_Atom_Stereo_Count	0
513337	Hydrogen_Bond_Donor_Count	8
2405	Non-hydrogen_Atom_Count	23
59508	Exact_Mass	390.34843804
80076	Tautomer_Count	1
69333875	Undefined_Atom_Stereo_Count	0
6554040	Hydrogen_Bond_Acceptor_Count	4
53484567	Molecular_Weight	114.14
8056	Rotatable_Bond_Count	3
18422690	Mono_Isotopic_Weight	110.048012819
21026	Undefined_Atom_Stereo_Count	0
5311067	Hydrogen_Bond_Donor_Count	2
53324425	Isotope_Atom_Count	0
8823	Molecular_Weight	122.21
70034662	Hydrogen_Bond_Acceptor_Count	1
25113635	Hydrogen_Bond_Acceptor_Count	22
45358158	Non-hydrogen_Atom_Count	60
3045381	Hydrogen_Bond_Acceptor_Count	6
129636415	TPSA	180
16678045	Hydrogen_Bond_Donor_Count	2
4271	Non-hydrogen_Atom_Count	31
43432	Covalent_Unit_Count	1
10560335	Defined_Atom_Stereo_Count	0
3260420	Non-hydrogen_Atom_Count	4
10582552	Isotope_Atom_Count	0
3751373	XLogP3-AA	0.1
5727	Defined_Atom_Stereo_Count	0
25203153	Defined_Atom_Stereo_Count	0
11443	Mono_Isotopic_Weight	174.042927438
4623	Undefined_Atom_Stereo_Count	0
6321414	Rotatable_Bond_Count	13
2775316	Hydrogen_Bond_Donor_Count	0
12452021	Non-hydrogen_Atom_Count	8
91285707	Defined_Atom_Stereo_Count	0
3081386	Total_Formal_Charge	0
236702	Total_Formal_Charge	0
13546	Covalent_Unit_Count	1
5107	Defined_Atom_Stereo_Count	0
91227950	XLogP3-AA	0.4
60196336	Undefined_Bond_Stereo_Count	0
445621	Molecular_Weight	179.17
88937798	Defined_Bond_Stereo_Count	0
154091501	Defined_Bond_Stereo_Count	0
8140	Mono_Isotopic_Weight	192.05136
6918332	Hydrogen_Bond_Donor_Count	5
83445	Tautomer_Count	5
6435993	Covalent_Unit_Count	2
5479141	Undefined_Bond_Stereo_Count	0
85760873	Defined_Atom_Stereo_Count	0
1415	Total_Formal_Charge	0
5596	Covalent_Unit_Count	1
35075	Covalent_Unit_Count	1
65894	Defined_Bond_Stereo_Count	0
8258	Tautomer_Count	1
119195	Structure_Complexity	258
1639804	XLogP3-AA	2.5
67000	Structure_Complexity	212
20137	Hydrogen_Bond_Donor_Count	1
234041	Undefined_Bond_Stereo_Count	2
83979	Rotatable_Bond_Count	5
129652893	Defined_Atom_Stereo_Count	0
543047	Total_Formal_Charge	0
5702065	Hydrogen_Bond_Donor_Count	1
6604334	Mono_Isotopic_Weight	842.51400504
2443	Molecular_Weight	654.6
10345790	Total_Formal_Charge	0
57004	Molecular_Weight	218.63
129636908	Covalent_Unit_Count	2
146993530	Isotope_Atom_Count	0
12332146	Undefined_Bond_Stereo_Count	0
5819	Isotope_Atom_Count	0
134693946	Defined_Atom_Stereo_Count	11
675	Non-hydrogen_Atom_Count	11
13620760	Undefined_Atom_Stereo_Count	1
65109	Defined_Bond_Stereo_Count	0
10898648	Covalent_Unit_Count	1
2161	Non-hydrogen_Atom_Count	22
557495	Non-hydrogen_Atom_Count	7
6327109	Hydrogen_Bond_Donor_Count	1
19592	XLogP3-AA	4.9
6399253	Hydrogen_Bond_Acceptor_Count	10
57304791	Undefined_Bond_Stereo_Count	0
558363	Covalent_Unit_Count	1
11430	Covalent_Unit_Count	3
20605239	Non-hydrogen_Atom_Count	6
11105319	Hydrogen_Bond_Acceptor_Count	2
60196318	Molecular_Weight	358.9
150929	Hydrogen_Bond_Donor_Count	3
163613625	Non-hydrogen_Atom_Count	7
25563	Defined_Atom_Stereo_Count	0
847313	Exact_Mass	296.09431156
12868608	Molecular_Weight	66.10
313444	Defined_Atom_Stereo_Count	0
52936034	TPSA	75.7
15541	TPSA	130
530423	TPSA	17.1
3863	Rotatable_Bond_Count	6
1143	Defined_Bond_Stereo_Count	0
1013376	Hydrogen_Bond_Donor_Count	3
20485709	Undefined_Bond_Stereo_Count	0
60196392	Non-hydrogen_Atom_Count	19
19933	Covalent_Unit_Count	1
137490	XLogP3-AA	2.7
11542775	Total_Formal_Charge	0
241902	Defined_Atom_Stereo_Count	9
10286834	XLogP3-AA	3.2
4495	XLogP3	2.6
3732019	Defined_Bond_Stereo_Count	0
131770024	Undefined_Bond_Stereo_Count	0
79297905	Molecular_Weight	97.12
446753	TPSA	109
3034047	Defined_Atom_Stereo_Count	2
5282550	Undefined_Bond_Stereo_Count	0
51136438	Non-hydrogen_Atom_Count	14
20975302	Rotatable_Bond_Count	1
683214	XLogP3-AA	2.1
40637217	Isotope_Atom_Count	0
11116575	Covalent_Unit_Count	1
82362	Non-hydrogen_Atom_Count	46
12395209	TPSA	12.9
83814964	Structure_Complexity	88.4
19395	Hydrogen_Bond_Donor_Count	0
123964	Tautomer_Count	32
17111	Defined_Bond_Stereo_Count	0
3383	Defined_Bond_Stereo_Count	0
67488	Structure_Complexity	114
59952	Isotope_Atom_Count	0
124009720	Hydrogen_Bond_Donor_Count	1
7904	Exact_Mass	86.036779430
123816	Hydrogen_Bond_Acceptor_Count	11
163090691	Hydrogen_Bond_Donor_Count	4
20299950	Total_Formal_Charge	0
76968809	Isotope_Atom_Count	0
30699	Molecular_Weight	423.5
6344	Structure_Complexity	2.8
7964	Rotatable_Bond_Count	0
85864362	Rotatable_Bond_Count	1
141350568	Total_Formal_Charge	0
5288811	Total_Formal_Charge	0
129859529	XLogP3-AA	0
430914	Isotope_Atom_Count	0
131697803	Isotope_Atom_Count	3
5282198	Exact_Mass	266.224580195
3035406	Non-hydrogen_Atom_Count	77
74802	Mono_Isotopic_Weight	148.027277375
19960955	Undefined_Bond_Stereo_Count	0
19847	XLogP3-AA	0.2
227244	Mono_Isotopic_Weight	71.073499291
15700781	Isotope_Atom_Count	0
119432	Hydrogen_Bond_Acceptor_Count	1
82622	Structure_Complexity	343
20722796	Hydrogen_Bond_Donor_Count	0
138112	Undefined_Atom_Stereo_Count	0
446715	Undefined_Atom_Stereo_Count	0
56835143	Hydrogen_Bond_Donor_Count	3
9833407	Rotatable_Bond_Count	19
6102731	Undefined_Bond_Stereo_Count	0
619387	Undefined_Atom_Stereo_Count	1
6436173	Molecular_Weight	785.9
66057	Non-hydrogen_Atom_Count	7
78357784	Undefined_Atom_Stereo_Count	0
634493	Hydrogen_Bond_Donor_Count	0
261	Structure_Complexity	24.8
12358970	Hydrogen_Bond_Acceptor_Count	8
16180	Defined_Bond_Stereo_Count	0
21452007	Non-hydrogen_Atom_Count	11
519946	Mono_Isotopic_Weight	86.073164938
26747	Defined_Bond_Stereo_Count	0
135403828	Total_Formal_Charge	0
129680429	Non-hydrogen_Atom_Count	21
23690449	Total_Formal_Charge	0
23554324	Hydrogen_Bond_Donor_Count	2
9087	Total_Formal_Charge	0
2951	Undefined_Bond_Stereo_Count	1
9958188	Covalent_Unit_Count	1
101508194	Defined_Bond_Stereo_Count	0
123298319	Defined_Atom_Stereo_Count	0
10329273	Non-hydrogen_Atom_Count	8
20535613	Structure_Complexity	52
3510	Isotope_Atom_Count	0
8901	Mono_Isotopic_Weight	96.057514874
85906	Undefined_Bond_Stereo_Count	0
416	Hydrogen_Bond_Donor_Count	4
904858	Covalent_Unit_Count	1
99478	Defined_Bond_Stereo_Count	0
14263148	Defined_Atom_Stereo_Count	0
58028426	Total_Formal_Charge	0
6435808	Rotatable_Bond_Count	2
21583	Defined_Atom_Stereo_Count	0
86063	Hydrogen_Bond_Acceptor_Count	4
101946434	Non-hydrogen_Atom_Count	1
137808	Molecular_Weight	93.13
44228720	Undefined_Bond_Stereo_Count	0
995634	Hydrogen_Bond_Donor_Count	1
67005	TPSA	91.6
88226977	Undefined_Bond_Stereo_Count	0
11604525	Hydrogen_Bond_Acceptor_Count	6
50009	Mono_Isotopic_Weight	334.00659
838267	Isotope_Atom_Count	0
12150354	Undefined_Bond_Stereo_Count	0
11582982	TPSA	125
6337677	Hydrogen_Bond_Donor_Count	3
9576891	Undefined_Bond_Stereo_Count	0
66013	Non-hydrogen_Atom_Count	8
68745835	Hydrogen_Bond_Donor_Count	1
1548971	Non-hydrogen_Atom_Count	30
3710	Defined_Bond_Stereo_Count	0
173685	Total_Formal_Charge	0
129600765	Rotatable_Bond_Count	4
3045381	TPSA	60.5
449223	Structure_Complexity	474
135398592	Undefined_Atom_Stereo_Count	0
5287554	Tautomer_Count	27
9410	Molecular_Weight	303.8
3353976	Exact_Mass	191.07284784
36689718	Molecular_Weight	117.15
10146470	TPSA	115
23678597	Total_Formal_Charge	0
447877	Rotatable_Bond_Count	28
13531445	XLogP3-AA	0.2
5484	Structure_Complexity	309
41555	Undefined_Atom_Stereo_Count	0
129539	Structure_Complexity	412
6918078	Mono_Isotopic_Weight	400.18456586
49862519	XLogP3-AA	4.7
68009554	Non-hydrogen_Atom_Count	23
68135	Total_Formal_Charge	0
1350	Molecular_Weight	340.18
443958	Non-hydrogen_Atom_Count	36
13349550	Undefined_Bond_Stereo_Count	0
827	Molecular_Weight	152.15
71462510	Defined_Atom_Stereo_Count	0
676399	Defined_Atom_Stereo_Count	1
42037	Undefined_Bond_Stereo_Count	0
68499424	Non-hydrogen_Atom_Count	7
450591	TPSA	63.3
89150	XLogP3	1.1
11344002	Defined_Bond_Stereo_Count	0
45085092	Covalent_Unit_Count	1
140898864	Defined_Atom_Stereo_Count	0
28118	Total_Formal_Charge	0
21798491	Hydrogen_Bond_Donor_Count	2
346695	Molecular_Weight	261.70
5353635	Defined_Bond_Stereo_Count	1
13413802	Hydrogen_Bond_Acceptor_Count	2
11824	TPSA	150
7102	Rotatable_Bond_Count	1
90475888	Tautomer_Count	3
174240	Hydrogen_Bond_Donor_Count	1
70250504	Molecular_Weight	544.6
16738927	Defined_Bond_Stereo_Count	0
2734171	Undefined_Bond_Stereo_Count	0
3527810	Defined_Atom_Stereo_Count	0
13123887	Hydrogen_Bond_Acceptor_Count	2
10855384	TPSA	26
9824345	Mono_Isotopic_Weight	436.15691181
164685	Isotope_Atom_Count	0
47965	Covalent_Unit_Count	1
5284535	Tautomer_Count	9
12096747	XLogP3-AA	3.9
3034368	Exact_Mass	538.749951
123755	Hydrogen_Bond_Acceptor_Count	7
85844257	XLogP3-AA	1.7
7966	Defined_Bond_Stereo_Count	0
118946	Isotope_Atom_Count	0
100934359	Defined_Atom_Stereo_Count	0
16686	Defined_Bond_Stereo_Count	0
66419	Hydrogen_Bond_Donor_Count	2
98719	Molecular_Weight	255.40
129629321	Total_Formal_Charge	0
41211	Non-hydrogen_Atom_Count	23
121733	Rotatable_Bond_Count	3
11305985	Defined_Bond_Stereo_Count	0
105037	Defined_Bond_Stereo_Count	0
54307	Undefined_Atom_Stereo_Count	0
107275	Undefined_Atom_Stereo_Count	2
53346495	Undefined_Bond_Stereo_Count	0
71515466	Undefined_Atom_Stereo_Count	0
3014294	XLogP3-AA	1.5
26430	Exact_Mass	344.13809112
126969108	Undefined_Atom_Stereo_Count	10
118984402	Mono_Isotopic_Weight	456.32261721
131954773	Hydrogen_Bond_Acceptor_Count	9
133923	Tautomer_Count	1
177	TPSA	17.1
51072180	Mono_Isotopic_Weight	99.068413911
24721009	Rotatable_Bond_Count	7
102426204	Rotatable_Bond_Count	6
11002	Covalent_Unit_Count	1
8061	XLogP3	1.1
9570985	Rotatable_Bond_Count	7
3806114	Mono_Isotopic_Weight	148.00078784
34072	Isotope_Atom_Count	0
57514167	TPSA	67.5
9808	Covalent_Unit_Count	1
129712967	TPSA	88.4
182677	Exact_Mass	278.297351212
156255626	Isotope_Atom_Count	0
206245	Exact_Mass	129.06122053
5353495	Undefined_Atom_Stereo_Count	2
13895197	Covalent_Unit_Count	1
6917762	Covalent_Unit_Count	1
14171936	Rotatable_Bond_Count	2
6179	Non-hydrogen_Atom_Count	10
45199	Hydrogen_Bond_Acceptor_Count	5
68604	Hydrogen_Bond_Donor_Count	0
5068715	Exact_Mass	762.13755881
16665100	Defined_Bond_Stereo_Count	0
156619056	Defined_Bond_Stereo_Count	0
27383	Covalent_Unit_Count	1
53477781	Hydrogen_Bond_Donor_Count	3
13001614	Mono_Isotopic_Weight	115.074561919
72402	Structure_Complexity	775
135080	Mono_Isotopic_Weight	253.011769
16822	Undefined_Atom_Stereo_Count	0
12708177	Covalent_Unit_Count	1
29393	Hydrogen_Bond_Acceptor_Count	8
59045964	Exact_Mass	111.068413911
509554	XLogP3-AA	4.7
443831	Exact_Mass	513.16349606
41555	Defined_Atom_Stereo_Count	0
57952	Rotatable_Bond_Count	6
198791	Undefined_Bond_Stereo_Count	0
3505109	Hydrogen_Bond_Donor_Count	2
20259185	Rotatable_Bond_Count	0
46244173	Covalent_Unit_Count	1
91864465	TPSA	63.6
70686474	Rotatable_Bond_Count	7
2226	Covalent_Unit_Count	1
147912	Undefined_Atom_Stereo_Count	1
16058637	Isotope_Atom_Count	0
16129617	Defined_Atom_Stereo_Count	21
91697	Non-hydrogen_Atom_Count	12
25271887	Isotope_Atom_Count	0
9861147	Non-hydrogen_Atom_Count	22
7875	Total_Formal_Charge	0
10278	Defined_Bond_Stereo_Count	0
6129	Defined_Atom_Stereo_Count	0
56927690	Hydrogen_Bond_Donor_Count	6
66855878	Undefined_Atom_Stereo_Count	1
4540	Undefined_Bond_Stereo_Count	0
24808640	Exact_Mass	94.041864811
7568485	Total_Formal_Charge	0
4286	Exact_Mass	341.22156050
6917972	Structure_Complexity	71
3694035	Covalent_Unit_Count	1
84693	Covalent_Unit_Count	1
11282394	Exact_Mass	452.13186158
9117	Hydrogen_Bond_Donor_Count	0
193720	Undefined_Bond_Stereo_Count	0
76654	Rotatable_Bond_Count	4
50922675	Total_Formal_Charge	0
12644714	Non-hydrogen_Atom_Count	8
61329	Rotatable_Bond_Count	3
53321036	Covalent_Unit_Count	1
834562	Hydrogen_Bond_Donor_Count	1
44563146	Total_Formal_Charge	0
57558295	Covalent_Unit_Count	1
3059	Defined_Bond_Stereo_Count	0
140732872	Defined_Bond_Stereo_Count	0
125286694	Mono_Isotopic_Weight	842.51400504
68604	XLogP3-AA	2.8
150736	Undefined_Bond_Stereo_Count	0
5388936	Rotatable_Bond_Count	6
10614	Hydrogen_Bond_Donor_Count	0
517165	Defined_Atom_Stereo_Count	0
26721	Defined_Bond_Stereo_Count	0
12476693	XLogP3-AA	0
543909	Defined_Atom_Stereo_Count	0
41353	Undefined_Bond_Stereo_Count	0
25113190	Mono_Isotopic_Weight	763.08391013
185792	Hydrogen_Bond_Acceptor_Count	1
139062656	Undefined_Atom_Stereo_Count	0
97815	Molecular_Weight	96.13
53174	Hydrogen_Bond_Donor_Count	2
448043	Isotope_Atom_Count	0
316724	TPSA	18.5
71752170	Defined_Atom_Stereo_Count	5
519112	Mono_Isotopic_Weight	600.14924298
10950142	Undefined_Atom_Stereo_Count	0
469	Defined_Atom_Stereo_Count	0
101094784	Mono_Isotopic_Weight	384.19367399
46936966	Hydrogen_Bond_Donor_Count	8
158385	Mono_Isotopic_Weight	1148.43169
84106834	TPSA	12
162461	Molecular_Weight	213.27
10313102	Isotope_Atom_Count	0
30107	Tautomer_Count	2
11744314	Covalent_Unit_Count	1
46937020	TPSA	186
91620	Undefined_Atom_Stereo_Count	0
107689	Structure_Complexity	59.1
45358438	Defined_Bond_Stereo_Count	1
87425008	Mono_Isotopic_Weight	348.96256697
125651	Mono_Isotopic_Weight	235.132076794
53970299	Hydrogen_Bond_Acceptor_Count	1
2680	Hydrogen_Bond_Donor_Count	2
4538	Undefined_Bond_Stereo_Count	0
59772	Defined_Atom_Stereo_Count	0
8490	Mono_Isotopic_Weight	222.03488193
96707	XLogP3	0
54714462	Undefined_Bond_Stereo_Count	0
13351229	Hydrogen_Bond_Donor_Count	2
12452048	Exact_Mass	112.088815002
11178958	Rotatable_Bond_Count	1
10220680	Molecular_Weight	254.69
54054905	Hydrogen_Bond_Donor_Count	2
13608	Defined_Atom_Stereo_Count	0
12634652	Hydrogen_Bond_Donor_Count	0
108059	Undefined_Atom_Stereo_Count	0
129738033	Defined_Bond_Stereo_Count	0
67516	Tautomer_Count	2
9815418	TPSA	110
73943	Undefined_Bond_Stereo_Count	0
259577	Covalent_Unit_Count	1
18728219	Rotatable_Bond_Count	1
398631	Hydrogen_Bond_Acceptor_Count	4
6473973	Undefined_Atom_Stereo_Count	2
101171	Exact_Mass	114.068079557
54480591	Defined_Atom_Stereo_Count	0
135992859	Isotope_Atom_Count	0
5993	Molecular_Weight	409.8
1381	Mono_Isotopic_Weight	408.18886022
642324	XLogP3-AA	1.4
155560570	Total_Formal_Charge	0
5283339	Hydrogen_Bond_Acceptor_Count	1
67742	Mono_Isotopic_Weight	309.96877548
21872002	Rotatable_Bond_Count	3
183809	Mono_Isotopic_Weight	368.16371127
70688570	Molecular_Weight	385.4
92821	Hydrogen_Bond_Acceptor_Count	3
5230877	Undefined_Bond_Stereo_Count	0
3085401	XLogP3	3.1
133268492	Total_Formal_Charge	0
72666	Isotope_Atom_Count	0
18156	Defined_Atom_Stereo_Count	0
5494449	Covalent_Unit_Count	1
59910362	Undefined_Atom_Stereo_Count	1
51605	Molecular_Weight	301.34
49831162	Rotatable_Bond_Count	6
21966525	TPSA	38.7
134338399	Molecular_Weight	108.10
24883	TPSA	0
131003005	Non-hydrogen_Atom_Count	8
70680969	Rotatable_Bond_Count	7
23694213	Defined_Atom_Stereo_Count	3
905454	Molecular_Weight	247.33
69437	Rotatable_Bond_Count	4
54586719	Undefined_Bond_Stereo_Count	0
29109	Non-hydrogen_Atom_Count	1
22491624	Structure_Complexity	72.5
441325	TPSA	42.7
65777	XLogP3-AA	3.5
81876	Non-hydrogen_Atom_Count	19
2734122	TPSA	52.5
28763	Tautomer_Count	2
12346769	Structure_Complexity	171
26890	Rotatable_Bond_Count	7
65238029	Defined_Bond_Stereo_Count	0
890718	Undefined_Atom_Stereo_Count	0
10257882	Mono_Isotopic_Weight	592.27194156
528612	Non-hydrogen_Atom_Count	8
6068	Hydrogen_Bond_Acceptor_Count	2
448949	Total_Formal_Charge	0
7034	XLogP3	4.9
16665	Structure_Complexity	48
143694905	Defined_Atom_Stereo_Count	0
44144474	Hydrogen_Bond_Acceptor_Count	7
7929	Molecular_Weight	106.16
12406682	Defined_Bond_Stereo_Count	0
1416277	Non-hydrogen_Atom_Count	6
151318	Mono_Isotopic_Weight	294.99747
5464084	Total_Formal_Charge	0
138805	Undefined_Atom_Stereo_Count	2
19220	Mono_Isotopic_Weight	189.115364102
44310710	Covalent_Unit_Count	1
75779	Undefined_Bond_Stereo_Count	0
23702994	Molecular_Weight	719.7
3414	Mono_Isotopic_Weight	122.94833509
22220875	Total_Formal_Charge	0
70008	Rotatable_Bond_Count	0
97815	Rotatable_Bond_Count	2
57498458	Mono_Isotopic_Weight	357.13247072
5464200	Undefined_Bond_Stereo_Count	0
10855394	Undefined_Atom_Stereo_Count	0
441301	Total_Formal_Charge	0
9547196	Covalent_Unit_Count	1
13379	Exact_Mass	142.172150702
137643	Exact_Mass	112.088815002
701741	Molecular_Weight	274.31
23158108	Hydrogen_Bond_Acceptor_Count	1
42510	Mono_Isotopic_Weight	293.189197746
101875160	Molecular_Weight	99.13
137580	XLogP3	2.1
129709955	Defined_Atom_Stereo_Count	0
127394	Defined_Atom_Stereo_Count	0
10160238	Structure_Complexity	471
564664	Molecular_Weight	108.18
559799	Tautomer_Count	1
677	Tautomer_Count	1
56672297	Structure_Complexity	690
22990584	Defined_Bond_Stereo_Count	0
12596780	Molecular_Weight	78.07
667450	Undefined_Bond_Stereo_Count	0
82313	Exact_Mass	221.08993720
12302654	Molecular_Weight	342.30
99290	Mono_Isotopic_Weight	190.09535693
23665765	Structure_Complexity	256
11423563	Covalent_Unit_Count	1
85939688	Total_Formal_Charge	0
20890	Structure_Complexity	153
146019527	Non-hydrogen_Atom_Count	43
146157736	XLogP3-AA	0.6
16366	Rotatable_Bond_Count	0
91867648	Isotope_Atom_Count	1
3017748	Isotope_Atom_Count	0
160439	Hydrogen_Bond_Acceptor_Count	2
9794712	Rotatable_Bond_Count	6
99014	Defined_Atom_Stereo_Count	0
667467	Mono_Isotopic_Weight	315.0848484
7684	Non-hydrogen_Atom_Count	11
139080230	Molecular_Weight	446.4
129747104	Total_Formal_Charge	0
11556711	Rotatable_Bond_Count	20
53702849	Structure_Complexity	87.7
84979	Exact_Mass	126.90308
83966	Mono_Isotopic_Weight	331.10558726
447196	Tautomer_Count	3
60574	Undefined_Atom_Stereo_Count	1
43899	Undefined_Bond_Stereo_Count	0
198790	Exact_Mass	373.94122
443366	Total_Formal_Charge	0
398701	Total_Formal_Charge	0
46934729	Undefined_Atom_Stereo_Count	0
272625	Defined_Atom_Stereo_Count	0
9817550	Undefined_Bond_Stereo_Count	0
894	TPSA	166
11510567	Structure_Complexity	701
14679813	Rotatable_Bond_Count	7
21896450	Mono_Isotopic_Weight	111.032028402
8948	Hydrogen_Bond_Acceptor_Count	3
449093	Rotatable_Bond_Count	4
77342	Total_Formal_Charge	0
55246	TPSA	87.9
6443717	Molecular_Weight	98.10
522731	Defined_Atom_Stereo_Count	0
16049160	Defined_Atom_Stereo_Count	1
10628031	Structure_Complexity	1300
21470	Molecular_Weight	696.8
68129	Molecular_Weight	112.08
98723	Defined_Bond_Stereo_Count	0
54585373	TPSA	87.6
37464	Undefined_Bond_Stereo_Count	0
258	Non-hydrogen_Atom_Count	30
5282045	Non-hydrogen_Atom_Count	55
123178849	Total_Formal_Charge	0
71970	Molecular_Weight	363.4
63985	Undefined_Bond_Stereo_Count	0
11040652	Exact_Mass	111.068413911
460621	Rotatable_Bond_Count	22
6267	Hydrogen_Bond_Acceptor_Count	4
23679441	Rotatable_Bond_Count	8
4136526	Covalent_Unit_Count	1
890718	Defined_Atom_Stereo_Count	0
6336554	Defined_Bond_Stereo_Count	0
136005230	Defined_Atom_Stereo_Count	0
3016570	Exact_Mass	140.120115130
11240435	Undefined_Bond_Stereo_Count	0
3796	Molecular_Weight	455.10
63255	Exact_Mass	288.07103389
117957447	Hydrogen_Bond_Donor_Count	2
59653	Total_Formal_Charge	0
6335436	Undefined_Atom_Stereo_Count	0
23335676	Tautomer_Count	3
144459	Total_Formal_Charge	0
254139	Undefined_Bond_Stereo_Count	0
53895	TPSA	33.5
57391320	Rotatable_Bond_Count	4
53681289	Exact_Mass	102.079312947
6025	Covalent_Unit_Count	1
7523	Isotope_Atom_Count	0
441337	Undefined_Bond_Stereo_Count	0
14236	Covalent_Unit_Count	1
8069	Hydrogen_Bond_Acceptor_Count	2
5287969	Total_Formal_Charge	0
11241	XLogP3-AA	2.1
124220089	Exact_Mass	416.32904526
245005	Undefined_Atom_Stereo_Count	1
10217	Hydrogen_Bond_Acceptor_Count	5
159325	Tautomer_Count	1
605	Covalent_Unit_Count	1
88301824	Rotatable_Bond_Count	1
86186	Defined_Bond_Stereo_Count	0
10399	Undefined_Atom_Stereo_Count	0
85859507	Defined_Bond_Stereo_Count	0
126968495	Defined_Atom_Stereo_Count	19
81867	TPSA	37.4
12344	Mono_Isotopic_Weight	130.099379685
554363	Defined_Bond_Stereo_Count	0
8462	Tautomer_Count	1
8150	Total_Formal_Charge	0
56673690	Structure_Complexity	742
75064	Molecular_Weight	154.12
74506	Structure_Complexity	235
13000487	Undefined_Bond_Stereo_Count	0
59167199	Hydrogen_Bond_Donor_Count	0
11650986	Mono_Isotopic_Weight	1007.56062088
467825	Exact_Mass	437.11218768
17671	Structure_Complexity	206
90432	Isotope_Atom_Count	0
61370	XLogP3-AA	1.2
97535	Hydrogen_Bond_Donor_Count	5
72199540	Defined_Bond_Stereo_Count	0
887830	Total_Formal_Charge	0
12309462	Structure_Complexity	470
25102720	Hydrogen_Bond_Donor_Count	5
54582797	Defined_Atom_Stereo_Count	0
22084	Hydrogen_Bond_Donor_Count	0
29681	Undefined_Bond_Stereo_Count	0
94915	Defined_Bond_Stereo_Count	0
13450	Tautomer_Count	81
413487	Undefined_Bond_Stereo_Count	0
6450173	Covalent_Unit_Count	5
8777	Undefined_Atom_Stereo_Count	0
17259	Exact_Mass	156.115029749
37264	Undefined_Atom_Stereo_Count	0
12386877	Non-hydrogen_Atom_Count	6
139043493	Defined_Atom_Stereo_Count	0
5280443	Mono_Isotopic_Weight	270.05282342
46891563	Defined_Atom_Stereo_Count	2
40780	Rotatable_Bond_Count	12
48103	Mono_Isotopic_Weight	295.1105844
3032396	Mono_Isotopic_Weight	623.21150888
724183	Molecular_Weight	294.3
21973793	Mono_Isotopic_Weight	98.084398327
9536	Undefined_Atom_Stereo_Count	0
96273	Defined_Atom_Stereo_Count	0
12695798	Isotope_Atom_Count	0
2083	Isotope_Atom_Count	0
54682511	Undefined_Bond_Stereo_Count	0
46934729	Defined_Atom_Stereo_Count	0
12621600	Exact_Mass	70.041864811
3034010	Defined_Bond_Stereo_Count	0
84032542	Structure_Complexity	122
67704	Exact_Mass	104.063743068
44392105	Exact_Mass	460.2281414
17903417	Covalent_Unit_Count	1
5266	Molecular_Weight	843.1
18999	Isotope_Atom_Count	0
72187527	TPSA	101
13568406	Undefined_Atom_Stereo_Count	0
59002381	Defined_Bond_Stereo_Count	0
59324	Hydrogen_Bond_Donor_Count	2
5791	Tautomer_Count	10
105037	Mono_Isotopic_Weight	153.078978594
57856017	Mono_Isotopic_Weight	111.068413911
129627254	Mono_Isotopic_Weight	676.4251867
20062980	XLogP3-AA	0.8
72786882	Structure_Complexity	395
8351	Molecular_Weight	173.25
11596881	Isotope_Atom_Count	0
6328657	Isotope_Atom_Count	0
601439	Rotatable_Bond_Count	2
86435	Covalent_Unit_Count	1
160154	Hydrogen_Bond_Acceptor_Count	3
54043984	Defined_Atom_Stereo_Count	0
54325138	Total_Formal_Charge	0
69963	Tautomer_Count	1
198061	Defined_Atom_Stereo_Count	0
8766	Undefined_Bond_Stereo_Count	0
63826	Undefined_Atom_Stereo_Count	0
5289382	Covalent_Unit_Count	1
88153493	Hydrogen_Bond_Donor_Count	2
7464	Exact_Mass	135.104799419
3991	Structure_Complexity	271
11251803	Structure_Complexity	2320
161209	Undefined_Atom_Stereo_Count	1
87063833	Defined_Atom_Stereo_Count	0
6484	Undefined_Bond_Stereo_Count	0
214398	Undefined_Bond_Stereo_Count	0
2735038	Mono_Isotopic_Weight	114.031694049
14120372	Molecular_Weight	120.15
21958	Hydrogen_Bond_Donor_Count	0
7081	Hydrogen_Bond_Donor_Count	2
44319	Hydrogen_Bond_Acceptor_Count	1
3544	Structure_Complexity	339
123298786	Covalent_Unit_Count	1
12150354	Defined_Atom_Stereo_Count	0
53663591	Total_Formal_Charge	0
68022407	Undefined_Bond_Stereo_Count	0
260716	Defined_Bond_Stereo_Count	0
1099	Structure_Complexity	18.8
28650	Total_Formal_Charge	0
56842231	TPSA	355
3094	Mono_Isotopic_Weight	241.276950121
19829703	Isotope_Atom_Count	0
78521	Hydrogen_Bond_Donor_Count	3
4632	Structure_Complexity	258
10557575	Rotatable_Bond_Count	16
94215	Structure_Complexity	46.9
10455790	Hydrogen_Bond_Acceptor_Count	4
637969	Rotatable_Bond_Count	0
6534	Undefined_Bond_Stereo_Count	0
3614551	Total_Formal_Charge	0
4345	XLogP3-AA	5.6
5224	Mono_Isotopic_Weight	447.26929854
21264914	Hydrogen_Bond_Donor_Count	1
5846454	Undefined_Atom_Stereo_Count	0
11788284	Molecular_Weight	114.19
6713312	Undefined_Atom_Stereo_Count	3
2167092	Non-hydrogen_Atom_Count	23
61833	Isotope_Atom_Count	0
68030	Non-hydrogen_Atom_Count	8
12914157	Total_Formal_Charge	0
63996	Covalent_Unit_Count	1
98032	Exact_Mass	238.099379685
694876	Hydrogen_Bond_Donor_Count	0
54303301	Hydrogen_Bond_Donor_Count	0
8468	Defined_Atom_Stereo_Count	0
631271	Molecular_Weight	344.4
1318	Defined_Bond_Stereo_Count	0
11970126	Total_Formal_Charge	0
11069215	Exact_Mass	391.0448479
55624	Total_Formal_Charge	0
5363095	Undefined_Bond_Stereo_Count	0
134694981	Undefined_Bond_Stereo_Count	1
41017	Covalent_Unit_Count	1
91857355	Covalent_Unit_Count	1
30020	Isotope_Atom_Count	0
122356	TPSA	55.1
3269	Structure_Complexity	411
29327	Isotope_Atom_Count	0
65679	TPSA	105
97702	Isotope_Atom_Count	0
25590	Tautomer_Count	1
96568	Tautomer_Count	3
6451285	Molecular_Weight	257.37
16750192	Isotope_Atom_Count	0
11809740	Undefined_Atom_Stereo_Count	0
11261	Structure_Complexity	43.4
10486	Defined_Bond_Stereo_Count	0
62097	Defined_Atom_Stereo_Count	0
473148	Hydrogen_Bond_Donor_Count	2
9536	Defined_Atom_Stereo_Count	0
62466	Tautomer_Count	2
3016754	Undefined_Atom_Stereo_Count	0
443074	Defined_Bond_Stereo_Count	0
445929	Undefined_Atom_Stereo_Count	0
16211941	Rotatable_Bond_Count	1
55067	Tautomer_Count	1
58186	Undefined_Bond_Stereo_Count	0
23389448	Isotope_Atom_Count	0
56801	TPSA	140
97637	Total_Formal_Charge	0
15715874	Hydrogen_Bond_Donor_Count	1
644020	Exact_Mass	234.209598838
161500	Hydrogen_Bond_Acceptor_Count	9
86289068	Undefined_Bond_Stereo_Count	0
10182969	Structure_Complexity	777
296732	Defined_Atom_Stereo_Count	0
53311	Defined_Atom_Stereo_Count	0
4675	Rotatable_Bond_Count	6
13661	Non-hydrogen_Atom_Count	13
163957061	Structure_Complexity	40.7
6473883	Structure_Complexity	1300
123554527	XLogP3-AA	1
27923	Structure_Complexity	90.6
616651	Hydrogen_Bond_Donor_Count	1
690730	Mono_Isotopic_Weight	178.03131738
136346	Mono_Isotopic_Weight	166.099379685
160876	Total_Formal_Charge	1
441337	Defined_Atom_Stereo_Count	0
94834	Tautomer_Count	1
6652	Mono_Isotopic_Weight	204.151415257
101707094	Undefined_Bond_Stereo_Count	0
22291085	Non-hydrogen_Atom_Count	39
248	Isotope_Atom_Count	0
15273943	Structure_Complexity	82.6
117569444	Hydrogen_Bond_Acceptor_Count	2
16688300	Undefined_Atom_Stereo_Count	0
40361	Structure_Complexity	287
54267	Hydrogen_Bond_Donor_Count	0
3167	Undefined_Bond_Stereo_Count	0
66915701	Non-hydrogen_Atom_Count	15
7822	Exact_Mass	128.120115130
11480417	Mono_Isotopic_Weight	111.068413911
89445694	Hydrogen_Bond_Donor_Count	0
91259187	Defined_Bond_Stereo_Count	0
10061	Hydrogen_Bond_Donor_Count	2
163878463	Exact_Mass	109.052763847
13459667	Exact_Mass	99.104799419
82045	Exact_Mass	315.27734404
23635314	Hydrogen_Bond_Acceptor_Count	5
18506387	Hydrogen_Bond_Donor_Count	2
44581145	Molecular_Weight	476.9
69014	Defined_Bond_Stereo_Count	0
720	Defined_Bond_Stereo_Count	0
15375	Structure_Complexity	73.7
136305612	Undefined_Atom_Stereo_Count	0
777	Rotatable_Bond_Count	1
94395	Non-hydrogen_Atom_Count	5
131853715	Mono_Isotopic_Weight	113.084063974
75389	Defined_Atom_Stereo_Count	0
11422859	Isotope_Atom_Count	0
15439201	Undefined_Atom_Stereo_Count	1
517827	Total_Formal_Charge	0
22053930	Covalent_Unit_Count	1
247771	Undefined_Atom_Stereo_Count	1
6437358	Undefined_Atom_Stereo_Count	0
5491930	Covalent_Unit_Count	1
3734	Tautomer_Count	15
10898703	Non-hydrogen_Atom_Count	7
180559	TPSA	84.6
23207045	Covalent_Unit_Count	1
4369188	Structure_Complexity	1200
130779	Rotatable_Bond_Count	2
66081	Defined_Bond_Stereo_Count	0
97390	XLogP3-AA	0.2
580104	Undefined_Atom_Stereo_Count	0
5311035	Covalent_Unit_Count	1
533432	Rotatable_Bond_Count	0
16013	Undefined_Atom_Stereo_Count	0
20759	Exact_Mass	150.068079557
2082	Structure_Complexity	291
5459213	Defined_Atom_Stereo_Count	3
8167	Isotope_Atom_Count	0
52941030	Defined_Atom_Stereo_Count	1
16132954	Isotope_Atom_Count	0
18867	Exact_Mass	224.094963011
14911569	Total_Formal_Charge	0
129650960	Hydrogen_Bond_Acceptor_Count	11
28424	Total_Formal_Charge	0
46470	Exact_Mass	325.1808568
124762103	Non-hydrogen_Atom_Count	23
102220	Mono_Isotopic_Weight	361.1808568
5311123	TPSA	138
86472	Rotatable_Bond_Count	14
10020226	Molecular_Weight	341.79
6918651	Undefined_Atom_Stereo_Count	0
193720	Defined_Atom_Stereo_Count	0
44345559	TPSA	46.9
90429111	Total_Formal_Charge	0
5815211	Undefined_Bond_Stereo_Count	0
21546968	Total_Formal_Charge	0
81416328	Molecular_Weight	114.19
446	Hydrogen_Bond_Donor_Count	2
3291	Undefined_Atom_Stereo_Count	1
6604757	Undefined_Atom_Stereo_Count	0
60167543	Total_Formal_Charge	0
11358	Mono_Isotopic_Weight	185.96803
102538	Hydrogen_Bond_Donor_Count	0
69288	Isotope_Atom_Count	0
641768	Hydrogen_Bond_Donor_Count	1
9901	Covalent_Unit_Count	1
20433	Total_Formal_Charge	0
11542	Exact_Mass	100.125200510
13065896	Hydrogen_Bond_Donor_Count	0
57336812	Defined_Atom_Stereo_Count	0
15072854	Exact_Mass	113.084063974
151115	Isotope_Atom_Count	0
6324616	Defined_Bond_Stereo_Count	3
130153178	Undefined_Bond_Stereo_Count	0
58199	Structure_Complexity	329
91994885	Undefined_Bond_Stereo_Count	0
71849	Hydrogen_Bond_Acceptor_Count	2
143466591	Defined_Atom_Stereo_Count	0
129833854	Molecular_Weight	353.08
443870	Defined_Atom_Stereo_Count	0
11621437	Covalent_Unit_Count	1
49869035	TPSA	60
6539005	Structure_Complexity	458
43536	Exact_Mass	354.230728204
5362391	Rotatable_Bond_Count	8
63825	Non-hydrogen_Atom_Count	24
121942	Hydrogen_Bond_Donor_Count	7
138733	Hydrogen_Bond_Acceptor_Count	1
55300028	Non-hydrogen_Atom_Count	8
204109	Mono_Isotopic_Weight	381.08349271
135052535	Mono_Isotopic_Weight	116.047344113
93154	Structure_Complexity	390
46780152	XLogP3-AA	5.1
44571022	Defined_Atom_Stereo_Count	0
706326	Mono_Isotopic_Weight	212.02197570
71486	Tautomer_Count	1
20648899	Non-hydrogen_Atom_Count	8
169371	Exact_Mass	440.15566577
11534	Undefined_Atom_Stereo_Count	0
71435578	TPSA	34.1
2451	XLogP3	2.8
18119	Exact_Mass	389.283098129
53364498	XLogP3-AA	5.5
53708	Hydrogen_Bond_Acceptor_Count	3
52946123	Undefined_Bond_Stereo_Count	0
214321	Non-hydrogen_Atom_Count	14
77721	Structure_Complexity	297
16213080	Rotatable_Bond_Count	5
31211	Molecular_Weight	194.23
135512673	Hydrogen_Bond_Acceptor_Count	15
16197727	Total_Formal_Charge	0
70390	Exact_Mass	226.110613074
2779024	Molecular_Weight	126.03
19858611	Total_Formal_Charge	0
521218	TPSA	9.2
129720213	Undefined_Atom_Stereo_Count	0
446563	Mono_Isotopic_Weight	268.313001276
23182417	Hydrogen_Bond_Donor_Count	1
9820073	Total_Formal_Charge	0
15575	Undefined_Bond_Stereo_Count	0
42540	Non-hydrogen_Atom_Count	20
21615295	Non-hydrogen_Atom_Count	7
8654	Undefined_Bond_Stereo_Count	0
165295	Total_Formal_Charge	0
139079484	Defined_Atom_Stereo_Count	0
13762	Structure_Complexity	216
12964226	Defined_Bond_Stereo_Count	0
60196414	Isotope_Atom_Count	0
6185	Hydrogen_Bond_Donor_Count	3
6420378	Non-hydrogen_Atom_Count	7
70783	Hydrogen_Bond_Acceptor_Count	1
126963424	Hydrogen_Bond_Donor_Count	0
27448	Defined_Atom_Stereo_Count	0
57174031	Molecular_Weight	284.35
10721	Hydrogen_Bond_Donor_Count	0
57572416	TPSA	240
5324560	Non-hydrogen_Atom_Count	9
87187801	TPSA	9.2
1181	Covalent_Unit_Count	1
11078406	Defined_Bond_Stereo_Count	0
96821	Molecular_Weight	176.17
2733832	Mono_Isotopic_Weight	167.11378108
3400	Isotope_Atom_Count	0
6326334	Hydrogen_Bond_Acceptor_Count	8
12529	Structure_Complexity	52.5
968081	Isotope_Atom_Count	0
14078849	XLogP3-AA	4
23034	Undefined_Bond_Stereo_Count	0
11804710	Defined_Bond_Stereo_Count	0
123178849	Hydrogen_Bond_Donor_Count	0
87906	Molecular_Weight	96.17
10750	Structure_Complexity	232
347476	Defined_Atom_Stereo_Count	0
123789923	Hydrogen_Bond_Donor_Count	0
650572	Structure_Complexity	490
40469421	Undefined_Atom_Stereo_Count	0
15090448	Isotope_Atom_Count	0
24946103	XLogP3-AA	4.4
96412	Defined_Atom_Stereo_Count	0
7015680	Undefined_Atom_Stereo_Count	0
59286	Structure_Complexity	290
2733335	TPSA	152
2733514	TPSA	134
25203302	Mono_Isotopic_Weight	291.83707
11240435	Undefined_Atom_Stereo_Count	0
14299310	TPSA	46.2
71172	Defined_Bond_Stereo_Count	0
254081	Hydrogen_Bond_Donor_Count	0
3400	Hydrogen_Bond_Donor_Count	0
125183304	Hydrogen_Bond_Acceptor_Count	17
2723785	Hydrogen_Bond_Donor_Count	2
9835852	Covalent_Unit_Count	1
115739	Hydrogen_Bond_Acceptor_Count	3
66903	Rotatable_Bond_Count	18
12968	Total_Formal_Charge	0
11541511	Rotatable_Bond_Count	6
62305	Exact_Mass	520.0471473
1148	Undefined_Atom_Stereo_Count	1
24901210	Undefined_Bond_Stereo_Count	0
102846	Defined_Bond_Stereo_Count	0
53001	Structure_Complexity	252
134694856	Undefined_Bond_Stereo_Count	0
90614	TPSA	87.4
86134	Hydrogen_Bond_Acceptor_Count	6
12590282	Hydrogen_Bond_Donor_Count	0
129872373	XLogP3-AA	0.2
14795102	TPSA	40.5
141545	XLogP3-AA	1.4
104764	Isotope_Atom_Count	0
61295	XLogP3-AA	1.6
54496696	Defined_Atom_Stereo_Count	0
20759	XLogP3-AA	0.5
74695	Rotatable_Bond_Count	0
23663397	TPSA	282
11693896	Rotatable_Bond_Count	1
101176453	Non-hydrogen_Atom_Count	75
6950199	Rotatable_Bond_Count	2
6566	Hydrogen_Bond_Acceptor_Count	1
11534	Defined_Atom_Stereo_Count	0
176505	Defined_Bond_Stereo_Count	0
1444	Undefined_Bond_Stereo_Count	3
19802062	TPSA	64.2
12303662	Isotope_Atom_Count	0
32675	Covalent_Unit_Count	2
535022	Defined_Atom_Stereo_Count	0
172469	Hydrogen_Bond_Acceptor_Count	18
2899204	Molecular_Weight	357.24
10306	Tautomer_Count	1
6433192	Non-hydrogen_Atom_Count	65
18196	Defined_Bond_Stereo_Count	0
2215480	TPSA	41.5
12644711	Total_Formal_Charge	0
54605501	Structure_Complexity	981
544563	TPSA	12.5
129508	Rotatable_Bond_Count	5
3497	Non-hydrogen_Atom_Count	34
75868	Molecular_Weight	272.21
82335	Defined_Atom_Stereo_Count	1
5282948	Defined_Bond_Stereo_Count	2
24183437	Covalent_Unit_Count	2
130144234	Molecular_Weight	96.13
25142176	Undefined_Atom_Stereo_Count	0
644113	Total_Formal_Charge	0
56955180	TPSA	56.7
22643	TPSA	35.1
143399	Total_Formal_Charge	0
84788	Isotope_Atom_Count	0
6537488	Molecular_Weight	199.16
31448	Total_Formal_Charge	0
73399	Hydrogen_Bond_Acceptor_Count	6
56672300	TPSA	109
9588170	Defined_Atom_Stereo_Count	0
67259738	Undefined_Atom_Stereo_Count	0
3852430	Mono_Isotopic_Weight	509.7086
123936	Molecular_Weight	281.33
57402653	Non-hydrogen_Atom_Count	26
12513438	Undefined_Atom_Stereo_Count	0
44571098	Non-hydrogen_Atom_Count	32
565424	TPSA	37.3
3246242	Non-hydrogen_Atom_Count	22
27284	Defined_Bond_Stereo_Count	0
52	Mono_Isotopic_Weight	867.16763975
287350	Covalent_Unit_Count	1
21602045	Hydrogen_Bond_Donor_Count	2
33746	Hydrogen_Bond_Acceptor_Count	3
56955184	Defined_Bond_Stereo_Count	0
20764676	Structure_Complexity	116
5388510	Mono_Isotopic_Weight	222.0811428
10942338	Exact_Mass	86.036779430
10255142	Undefined_Atom_Stereo_Count	0
97994	Defined_Atom_Stereo_Count	0
88212048	Molecular_Weight	118.13
3014138	Mono_Isotopic_Weight	123.068413911
36821	Rotatable_Bond_Count	2
130153178	Hydrogen_Bond_Acceptor_Count	3
454	TPSA	17.1
76365	Exact_Mass	126.068079557
10034060	Isotope_Atom_Count	0
5249080	Structure_Complexity	124
5481173	Tautomer_Count	14
3480590	Structure_Complexity	467
3958	Undefined_Atom_Stereo_Count	1
3084447	Structure_Complexity	249
49248	Defined_Atom_Stereo_Count	0
123542468	Defined_Atom_Stereo_Count	0
143562	Molecular_Weight	115.13
18403043	Molecular_Weight	499.5
3000516	Mono_Isotopic_Weight	378.11668211
11074101	Undefined_Atom_Stereo_Count	0
12052005	Exact_Mass	303.14705815
49867938	Structure_Complexity	2330
135398742	Rotatable_Bond_Count	8
13968540	Structure_Complexity	74.2
92326	Structure_Complexity	315
16125	Mono_Isotopic_Weight	175.9795702
159278	Undefined_Bond_Stereo_Count	0
7705	Hydrogen_Bond_Acceptor_Count	0
8766	Undefined_Atom_Stereo_Count	0
6420010	Undefined_Bond_Stereo_Count	0
10238	Exact_Mass	427.01989983
67108443	Rotatable_Bond_Count	6
1621	Structure_Complexity	230
168365	Non-hydrogen_Atom_Count	2
73604	Hydrogen_Bond_Donor_Count	4
20514191	Structure_Complexity	62.6
67627471	Defined_Bond_Stereo_Count	0
7567598	Non-hydrogen_Atom_Count	7
20589301	Molecular_Weight	96.13
129626607	Mono_Isotopic_Weight	231.02697933
825744	Mono_Isotopic_Weight	338.153146591
5072	Total_Formal_Charge	0
84106846	Exact_Mass	114.104465066
98026	Undefined_Atom_Stereo_Count	2
111314	Undefined_Atom_Stereo_Count	1
57459334	Molecular_Weight	104.15
2723706	Rotatable_Bond_Count	2
62358	Total_Formal_Charge	0
57346808	Defined_Bond_Stereo_Count	0
5282251	Hydrogen_Bond_Donor_Count	2
81110	Hydrogen_Bond_Donor_Count	0
13258395	Undefined_Bond_Stereo_Count	0
73333	Molecular_Weight	401.5
20483617	Hydrogen_Bond_Acceptor_Count	2
68662	Isotope_Atom_Count	0
44814423	Rotatable_Bond_Count	6
24848419	Isotope_Atom_Count	0
15526206	Undefined_Atom_Stereo_Count	0
122669	Total_Formal_Charge	0
14256301	Hydrogen_Bond_Acceptor_Count	3
75622	Undefined_Atom_Stereo_Count	0
19027761	Total_Formal_Charge	0
19013934	Defined_Atom_Stereo_Count	0
3035914	Mono_Isotopic_Weight	258.15929460
63686	Mono_Isotopic_Weight	517.02418
571973	Exact_Mass	107.048347172
444008	Mono_Isotopic_Weight	312.208930132
58557659	Undefined_Bond_Stereo_Count	0
68901489	Structure_Complexity	97.3
23393	Tautomer_Count	1
2724025	Hydrogen_Bond_Acceptor_Count	2
250629	Rotatable_Bond_Count	0
235414	Total_Formal_Charge	0
27428	Defined_Atom_Stereo_Count	0
8288	Non-hydrogen_Atom_Count	38
3305	Defined_Atom_Stereo_Count	0
968951	Defined_Atom_Stereo_Count	0
83996	Total_Formal_Charge	0
14012	Hydrogen_Bond_Acceptor_Count	6
10167713	XLogP3-AA	5
12513438	Defined_Atom_Stereo_Count	0
21997268	Exact_Mass	534.36688732
136419	Structure_Complexity	409
123178351	Hydrogen_Bond_Acceptor_Count	1
157684	XLogP3	4.9
56679083	Mono_Isotopic_Weight	1421.74894144
12663409	Isotope_Atom_Count	0
439811	Hydrogen_Bond_Donor_Count	3
129893609	TPSA	365
572852	Undefined_Atom_Stereo_Count	0
21158442	Structure_Complexity	688
64113	Mono_Isotopic_Weight	541.2496051
12298493	TPSA	44
81798	Rotatable_Bond_Count	6
6852147	Hydrogen_Bond_Acceptor_Count	7
66683200	Rotatable_Bond_Count	1
22328014	Exact_Mass	114.00654193
12376	XLogP3-AA	0
23981	Rotatable_Bond_Count	0
9387	TPSA	0
68869	Total_Formal_Charge	0
129864896	Exact_Mass	109.063997236
382	Hydrogen_Bond_Acceptor_Count	23
41022	Defined_Bond_Stereo_Count	0
23651142	Rotatable_Bond_Count	5
94221	Molecular_Weight	152.23
60196294	Defined_Bond_Stereo_Count	0
11446296	Hydrogen_Bond_Donor_Count	2
41384	Defined_Bond_Stereo_Count	0
12505483	Undefined_Bond_Stereo_Count	0
12255652	Mono_Isotopic_Weight	328.26135963
1546	TPSA	119
13023558	Undefined_Bond_Stereo_Count	0
117717938	Defined_Atom_Stereo_Count	1
13597077	Non-hydrogen_Atom_Count	8
91469693	Covalent_Unit_Count	1
9802545	Covalent_Unit_Count	1
58247643	Rotatable_Bond_Count	1
21823	Undefined_Bond_Stereo_Count	0
443874	Defined_Atom_Stereo_Count	3
6125184	Non-hydrogen_Atom_Count	24
6779	XLogP3	5.3
24472	XLogP3-AA	0.6
10399535	TPSA	48.1
66793	Hydrogen_Bond_Acceptor_Count	4
61362	TPSA	17.1
5282425	Undefined_Bond_Stereo_Count	0
118540789	Molecular_Weight	97.16
91555191	Undefined_Atom_Stereo_Count	2
13432441	Mono_Isotopic_Weight	103.099714038
11957654	Isotope_Atom_Count	0
131750287	Isotope_Atom_Count	0
18626415	Isotope_Atom_Count	0
68022407	Defined_Atom_Stereo_Count	0
10675	Structure_Complexity	567
21868057	TPSA	0
15942852	Mono_Isotopic_Weight	403.345029678
10198055	Undefined_Bond_Stereo_Count	0
443868	Molecular_Weight	528.0
140172	Mono_Isotopic_Weight	96.032362755
53957140	Defined_Bond_Stereo_Count	0
67707714	Mono_Isotopic_Weight	114.068079557
85585524	Undefined_Bond_Stereo_Count	0
54585373	Hydrogen_Bond_Acceptor_Count	8
10799	Mono_Isotopic_Weight	348.066641
15650	Hydrogen_Bond_Donor_Count	0
13658862	Total_Formal_Charge	0
24827	Non-hydrogen_Atom_Count	9
12646624	Non-hydrogen_Atom_Count	6
941915	Covalent_Unit_Count	1
14179013	TPSA	101
38849	Mono_Isotopic_Weight	417.10897236
65040	Undefined_Bond_Stereo_Count	0
10221470	Total_Formal_Charge	0
84720	Exact_Mass	266.02913527
139154214	Undefined_Bond_Stereo_Count	0
13347373	Hydrogen_Bond_Acceptor_Count	2
131414	Defined_Bond_Stereo_Count	0
15140308	Rotatable_Bond_Count	3
9930	Covalent_Unit_Count	2
98650	Structure_Complexity	146
135449518	Undefined_Bond_Stereo_Count	0
10278470	Structure_Complexity	686
18469777	Non-hydrogen_Atom_Count	7
7892	XLogP3-AA	3.2
8284	Defined_Bond_Stereo_Count	0
3881	Structure_Complexity	445
12572502	Undefined_Bond_Stereo_Count	0
102426	Exact_Mass	297.1495567
134129846	Undefined_Atom_Stereo_Count	1
135509116	Covalent_Unit_Count	1
44345198	Hydrogen_Bond_Acceptor_Count	5
55182	Covalent_Unit_Count	3
17920260	Hydrogen_Bond_Donor_Count	0
565391	Hydrogen_Bond_Acceptor_Count	0
10233356	Isotope_Atom_Count	0
65546	XLogP3	1.6
10301885	Non-hydrogen_Atom_Count	37
65557	Mono_Isotopic_Weight	419.24604391
33099	Defined_Atom_Stereo_Count	0
1189	Hydrogen_Bond_Donor_Count	5
30619	Hydrogen_Bond_Donor_Count	1
68364859	Undefined_Atom_Stereo_Count	0
23164725	Molecular_Weight	113.11
21278826	Molecular_Weight	98.15
16218643	Molecular_Weight	430.6
118654527	XLogP3-AA	2.5
443946	Exact_Mass	794.44525677
136411312	Exact_Mass	146.048012819
30822	XLogP3-AA	2.2
6266	Non-hydrogen_Atom_Count	23
51017507	Exact_Mass	1201.84136802
400182	Defined_Atom_Stereo_Count	0
8527	Covalent_Unit_Count	1
10272953	Structure_Complexity	757
123751374	Undefined_Atom_Stereo_Count	1
3664740	Structure_Complexity	509
1639	Total_Formal_Charge	0
60195904	Isotope_Atom_Count	0
14693963	Defined_Atom_Stereo_Count	0
102239760	Molecular_Weight	704.9
6418719	Hydrogen_Bond_Donor_Count	1
101437085	Mono_Isotopic_Weight	489.15256851
278580	Undefined_Atom_Stereo_Count	4
18684667	XLogP3-AA	3.3
67374618	Molecular_Weight	398.5
91370278	Hydrogen_Bond_Donor_Count	0
46936582	Hydrogen_Bond_Donor_Count	6
2733487	Undefined_Atom_Stereo_Count	0
520352	XLogP3	1.3
41541	XLogP3	5.9
7721	Non-hydrogen_Atom_Count	9
11281011	Rotatable_Bond_Count	11
3058839	Non-hydrogen_Atom_Count	19
61028	Defined_Bond_Stereo_Count	0
68737	Defined_Bond_Stereo_Count	0
11040724	Non-hydrogen_Atom_Count	10
123611	Mono_Isotopic_Weight	1726.7707769
140442165	Non-hydrogen_Atom_Count	85
53862531	Covalent_Unit_Count	1
74889155	Hydrogen_Bond_Donor_Count	1
26111	Isotope_Atom_Count	0
19738468	Exact_Mass	114.068079557
10275777	Defined_Atom_Stereo_Count	0
44305779	Exact_Mass	500.05177
129307545	Defined_Bond_Stereo_Count	1
6617	XLogP3-AA	1.8
1201	Defined_Atom_Stereo_Count	0
89205570	Rotatable_Bond_Count	0
1650	Covalent_Unit_Count	1
16219903	Exact_Mass	614.38186868
6326976	Mono_Isotopic_Weight	143.93774716
68396089	Exact_Mass	114.104465066
6604893	Defined_Bond_Stereo_Count	2
14743344	Undefined_Atom_Stereo_Count	0
5311360	Undefined_Atom_Stereo_Count	0
2230	Rotatable_Bond_Count	2
183679	Non-hydrogen_Atom_Count	20
16821	Mono_Isotopic_Weight	198.161979940
162204726	Covalent_Unit_Count	1
50561	Undefined_Atom_Stereo_Count	0
11947765	Isotope_Atom_Count	0
69994	Molecular_Weight	156.61
18506421	Rotatable_Bond_Count	0
22149470	Defined_Bond_Stereo_Count	0
11976122	Rotatable_Bond_Count	14
25244760	Molecular_Weight	137.05
17945614	Undefined_Bond_Stereo_Count	0
559	TPSA	81.5
9837419	Defined_Bond_Stereo_Count	0
72450871	Non-hydrogen_Atom_Count	7
101813505	Mono_Isotopic_Weight	363.03549594
63935844	Undefined_Bond_Stereo_Count	0
70722	Defined_Bond_Stereo_Count	0
9378	Mono_Isotopic_Weight	182.05790880
445892	Rotatable_Bond_Count	2
13220642	Rotatable_Bond_Count	0
12811926	Total_Formal_Charge	0
443944	Rotatable_Bond_Count	5
72736	Rotatable_Bond_Count	12
11510567	Total_Formal_Charge	0
79474	Hydrogen_Bond_Acceptor_Count	2
25245437	Mono_Isotopic_Weight	688.34905972
3038501	Hydrogen_Bond_Acceptor_Count	6
439371	Undefined_Bond_Stereo_Count	0
16779	Non-hydrogen_Atom_Count	22
5288679	Molecular_Weight	384.4
5365811	XLogP3-AA	1.2
131704481	Molecular_Weight	602.6
126083	Non-hydrogen_Atom_Count	21
44454985	Defined_Atom_Stereo_Count	1
118374185	Hydrogen_Bond_Acceptor_Count	2
10134310	Exact_Mass	379.12019195
82148	Defined_Bond_Stereo_Count	0
87703	Undefined_Bond_Stereo_Count	0
38207	XLogP3-AA	3.6
9356	Hydrogen_Bond_Donor_Count	5
22725651	Exact_Mass	99.032028402
52731	Rotatable_Bond_Count	8
24229456	Exact_Mass	108.032362755
122235961	Structure_Complexity	65.1
2807	Rotatable_Bond_Count	10
159326	XLogP3-AA	4.3
28332	Tautomer_Count	1
71329	Exact_Mass	441.13921332
154809629	Undefined_Atom_Stereo_Count	0
87586559	Rotatable_Bond_Count	0
173548	Mono_Isotopic_Weight	315.17942091
24877	Undefined_Atom_Stereo_Count	0
2366	Mono_Isotopic_Weight	136.100048391
642792	Undefined_Bond_Stereo_Count	0
24884313	Structure_Complexity	495
727	Structure_Complexity	104
815404	Isotope_Atom_Count	0
10355488	XLogP3-AA	0.7
69507	Exact_Mass	260.02971899
626738	Rotatable_Bond_Count	5
44295739	Undefined_Atom_Stereo_Count	0
62961	Non-hydrogen_Atom_Count	33
6858240	Tautomer_Count	6
66679	Hydrogen_Bond_Donor_Count	0
18506428	Defined_Bond_Stereo_Count	0
413539	Hydrogen_Bond_Acceptor_Count	6
6433272	Covalent_Unit_Count	1
37137	XLogP3	4.4
13400858	Undefined_Atom_Stereo_Count	1
216235	Undefined_Bond_Stereo_Count	0
15513	Exact_Mass	180.04225873
14187216	TPSA	83.6
68026923	Structure_Complexity	130
3634	Molecular_Weight	356.5
12872197	Mono_Isotopic_Weight	100.052429494
815404	Hydrogen_Bond_Donor_Count	0
22424	Non-hydrogen_Atom_Count	29
662877	Defined_Atom_Stereo_Count	0
40466858	Rotatable_Bond_Count	5
11430	Undefined_Atom_Stereo_Count	0
2762864	Undefined_Bond_Stereo_Count	0
1319	Exact_Mass	304.109944368
11340940	Non-hydrogen_Atom_Count	34
141169621	Undefined_Bond_Stereo_Count	0
78933	Tautomer_Count	1
7183	Defined_Atom_Stereo_Count	0
12318317	Non-hydrogen_Atom_Count	10
118578546	Isotope_Atom_Count	0
57174376	Structure_Complexity	97.5
122499	Isotope_Atom_Count	0
60196431	Total_Formal_Charge	0
40605	TPSA	163
36	TPSA	94.8
72199624	Structure_Complexity	642
5717	XLogP3-AA	5.5
16667736	Tautomer_Count	14
3644	Rotatable_Bond_Count	3
129858712	Defined_Bond_Stereo_Count	0
56680334	Structure_Complexity	694
88266	Defined_Atom_Stereo_Count	0
3651377	TPSA	67.5
3420996	XLogP3-AA	3.9
6263	Structure_Complexity	45.5
134436906	XLogP3-AA	2.5
84647610	Covalent_Unit_Count	1
92158	Non-hydrogen_Atom_Count	31
4590704	Molecular_Weight	196.29
1615208	Covalent_Unit_Count	1
619446	Undefined_Bond_Stereo_Count	0
82711397	Exact_Mass	118.062994177
65909	Molecular_Weight	428.5
161094262	Molecular_Weight	86.14
21696748	Hydrogen_Bond_Donor_Count	1
70687998	Rotatable_Bond_Count	4
84221363	Defined_Atom_Stereo_Count	0
67989199	Mono_Isotopic_Weight	100.100048391
67522	Hydrogen_Bond_Donor_Count	2
23653584	Total_Formal_Charge	0
98397	Structure_Complexity	294
11197931	Isotope_Atom_Count	0
56620695	Hydrogen_Bond_Acceptor_Count	3
6828	Mono_Isotopic_Weight	268.157563266
444742	Undefined_Bond_Stereo_Count	0
69503325	Exact_Mass	534.25185757
5866327	Defined_Atom_Stereo_Count	0
83976	Molecular_Weight	909.6
567098	Hydrogen_Bond_Acceptor_Count	1
3506	Defined_Atom_Stereo_Count	0
5311309	Exact_Mass	317.19909372
57398256	Covalent_Unit_Count	1
3047787	Non-hydrogen_Atom_Count	25
12563	Exact_Mass	168.093900383
12563346	Mono_Isotopic_Weight	142.00885060
17877642	Rotatable_Bond_Count	1
136153	Mono_Isotopic_Weight	68.062600255
522834	Hydrogen_Bond_Donor_Count	0
172309	XLogP3-AA	3
88489334	Defined_Bond_Stereo_Count	0
8480	Hydrogen_Bond_Donor_Count	4
161829	XLogP3	7.7
71560537	Non-hydrogen_Atom_Count	18
9827982	Defined_Atom_Stereo_Count	0
11106352	Hydrogen_Bond_Donor_Count	0
44339135	Exact_Mass	547.14224784
89738	Undefined_Atom_Stereo_Count	0
4323	Isotope_Atom_Count	0
69160	Covalent_Unit_Count	1
67923265	Hydrogen_Bond_Donor_Count	1
20054868	TPSA	380
69588	Total_Formal_Charge	0
102248370	Hydrogen_Bond_Acceptor_Count	4
2159	Defined_Atom_Stereo_Count	0
67683363	Total_Formal_Charge	0
5324	Covalent_Unit_Count	1
12602	Defined_Bond_Stereo_Count	0
20769	Molecular_Weight	128.17
66751	Rotatable_Bond_Count	9
604767	Mono_Isotopic_Weight	244.08644602
135415867	Hydrogen_Bond_Donor_Count	2
14022511	Molecular_Weight	275.33
656604	Undefined_Bond_Stereo_Count	0
160538	Undefined_Atom_Stereo_Count	1
89318	Undefined_Bond_Stereo_Count	0
135489810	Isotope_Atom_Count	0
60572	Total_Formal_Charge	0
444200	Exact_Mass	164.06847348
11620055	Defined_Atom_Stereo_Count	0
134551	Hydrogen_Bond_Acceptor_Count	6
65940	TPSA	129
107144	Isotope_Atom_Count	0
83996	Isotope_Atom_Count	0
1151	Isotope_Atom_Count	0
6605	Exact_Mass	454.1313794
19518	TPSA	69.2
130956	Exact_Mass	322.01197472
45356963	Total_Formal_Charge	0
45357147	Undefined_Atom_Stereo_Count	13
71584421	Molecular_Weight	426.5
123208701	Rotatable_Bond_Count	1
89999	Hydrogen_Bond_Donor_Count	5
16388	Isotope_Atom_Count	0
446925	Rotatable_Bond_Count	16
5351154	Tautomer_Count	108
68304261	Mono_Isotopic_Weight	482.0597731
76960246	Mono_Isotopic_Weight	449.059366
71458922	Covalent_Unit_Count	1
13104807	Rotatable_Bond_Count	2
24824	Rotatable_Bond_Count	0
6539028	Hydrogen_Bond_Donor_Count	2
67002565	Rotatable_Bond_Count	2
398737	Molecular_Weight	284.40
158182	Hydrogen_Bond_Donor_Count	1
22108	Hydrogen_Bond_Acceptor_Count	3
24875372	Molecular_Weight	500.7
73949	Hydrogen_Bond_Donor_Count	1
9802	Covalent_Unit_Count	1
10793	Defined_Bond_Stereo_Count	0
99027	Covalent_Unit_Count	1
151275184	Undefined_Atom_Stereo_Count	2
21988305	Isotope_Atom_Count	0
131885396	Total_Formal_Charge	0
409	Non-hydrogen_Atom_Count	13
54567	Undefined_Bond_Stereo_Count	0
55285816	Rotatable_Bond_Count	1
366248	Hydrogen_Bond_Acceptor_Count	4
5713976	Hydrogen_Bond_Acceptor_Count	3
6435110	Hydrogen_Bond_Donor_Count	6
6442793	Rotatable_Bond_Count	5
101237041	Hydrogen_Bond_Donor_Count	4
9962	Molecular_Weight	154.26
6420	Total_Formal_Charge	0
134694829	Hydrogen_Bond_Acceptor_Count	11
3239235	Structure_Complexity	414
71900	Covalent_Unit_Count	1
85689	Total_Formal_Charge	0
10722	Undefined_Atom_Stereo_Count	0
2750	TPSA	80.7
4451	Molecular_Weight	567.8
316797	Defined_Atom_Stereo_Count	0
101731271	Undefined_Bond_Stereo_Count	0
15118	Hydrogen_Bond_Donor_Count	1
75310475	Isotope_Atom_Count	0
61968	Hydrogen_Bond_Donor_Count	1
66062	Molecular_Weight	407.0
9934458	Hydrogen_Bond_Donor_Count	1
16737690	Hydrogen_Bond_Acceptor_Count	12
2122	Non-hydrogen_Atom_Count	22
5311071	Undefined_Atom_Stereo_Count	0
12318923	Covalent_Unit_Count	1
71309905	Isotope_Atom_Count	1
13095	Isotope_Atom_Count	0
9794126	Undefined_Atom_Stereo_Count	0
6604492	Rotatable_Bond_Count	7
57396149	Hydrogen_Bond_Donor_Count	2
355	Covalent_Unit_Count	1
44600	Hydrogen_Bond_Donor_Count	2
2376	Undefined_Bond_Stereo_Count	0
101641111	Undefined_Bond_Stereo_Count	0
47750	Undefined_Bond_Stereo_Count	0
18461924	Hydrogen_Bond_Donor_Count	0
519	Rotatable_Bond_Count	7
25201794	Isotope_Atom_Count	0
19349372	Hydrogen_Bond_Acceptor_Count	1
20705517	TPSA	3
6328152	Undefined_Atom_Stereo_Count	0
138231	Non-hydrogen_Atom_Count	6
36245	XLogP3-AA	2
821645	Exact_Mass	238.01222190
98651	Mono_Isotopic_Weight	413.04128673
24211936	Isotope_Atom_Count	0
439544	Rotatable_Bond_Count	6
5359327	Undefined_Bond_Stereo_Count	0
18622364	Hydrogen_Bond_Acceptor_Count	3
516910	Structure_Complexity	13.5
12276	Non-hydrogen_Atom_Count	10
76688	TPSA	26
10012220	Total_Formal_Charge	0
148931546	Mono_Isotopic_Weight	1201.84136802
24411	Hydrogen_Bond_Donor_Count	0
66509054	Isotope_Atom_Count	0
40391	Hydrogen_Bond_Acceptor_Count	2
5702293	Defined_Atom_Stereo_Count	0
10887985	Exact_Mass	138.140850574
21326740	Undefined_Atom_Stereo_Count	0
11543095	Hydrogen_Bond_Donor_Count	0
13158036	Exact_Mass	97.089149355
23749	Tautomer_Count	1
12037	Undefined_Atom_Stereo_Count	0
722533	Defined_Bond_Stereo_Count	0
64966	Rotatable_Bond_Count	3
25201794	Hydrogen_Bond_Donor_Count	0
453359	Hydrogen_Bond_Donor_Count	0
94153	Defined_Bond_Stereo_Count	0
444266	Rotatable_Bond_Count	2
75518	TPSA	20.2
13095	Defined_Bond_Stereo_Count	0
135987619	Undefined_Atom_Stereo_Count	0
60149	Covalent_Unit_Count	1
121893	Undefined_Bond_Stereo_Count	0
274418	Undefined_Bond_Stereo_Count	0
3382778	Hydrogen_Bond_Acceptor_Count	8
14681325	Undefined_Atom_Stereo_Count	1
49867938	Isotope_Atom_Count	0
79104	Exact_Mass	86.073164938
40855	Defined_Bond_Stereo_Count	0
88318	Undefined_Atom_Stereo_Count	0
11704019	Structure_Complexity	486
547400	TPSA	12.5
56928166	Non-hydrogen_Atom_Count	145
15920952	Total_Formal_Charge	0
73509	Defined_Atom_Stereo_Count	0
55284178	Exact_Mass	114.042927438
115368	Hydrogen_Bond_Donor_Count	0
28080	Rotatable_Bond_Count	9
13485104	Undefined_Atom_Stereo_Count	1
153668204	Isotope_Atom_Count	0
24840945	Exact_Mass	127.099714038
6433110	Undefined_Atom_Stereo_Count	0
23680518	Structure_Complexity	957
107977	Undefined_Atom_Stereo_Count	1
31297	Molecular_Weight	114.55
82479	TPSA	59.8
3337411	Structure_Complexity	454
547678	Structure_Complexity	110
202050	Hydrogen_Bond_Acceptor_Count	1
164877	Isotope_Atom_Count	0
53663591	Exact_Mass	112.063662883
547110	Covalent_Unit_Count	1
15100753	Isotope_Atom_Count	0
13632	Rotatable_Bond_Count	0
3063	Undefined_Atom_Stereo_Count	5
119590	Undefined_Atom_Stereo_Count	0
9890250	Molecular_Weight	455.9
441404	XLogP3	6.4
135402010	Molecular_Weight	459.5
120070	Undefined_Atom_Stereo_Count	0
1683	Tautomer_Count	1
18738120	XLogP3-AA	13.1
142401	Mono_Isotopic_Weight	92.026214747
6918840	Mono_Isotopic_Weight	966.43078848
253193	Covalent_Unit_Count	1
14758064	Isotope_Atom_Count	0
4154719	Hydrogen_Bond_Donor_Count	1
137635	Defined_Atom_Stereo_Count	0
163326	Defined_Bond_Stereo_Count	0
136216662	Total_Formal_Charge	0
69889594	Undefined_Atom_Stereo_Count	1
57734486	Molecular_Weight	357.4
59966641	Total_Formal_Charge	0
54583833	TPSA	34.2
9742	Hydrogen_Bond_Acceptor_Count	2
71470	Mono_Isotopic_Weight	518.26798174
418940	Non-hydrogen_Atom_Count	20
153722581	Non-hydrogen_Atom_Count	6
1946	Covalent_Unit_Count	1
254454	Rotatable_Bond_Count	9
3039	Defined_Bond_Stereo_Count	0
10893439	Defined_Bond_Stereo_Count	0
164034646	TPSA	47.6
7057919	Total_Formal_Charge	0
589863	Rotatable_Bond_Count	0
5281915	Rotatable_Bond_Count	31
52942291	Defined_Atom_Stereo_Count	1
88524529	Isotope_Atom_Count	0
15560	Structure_Complexity	288
10310138	Structure_Complexity	632
609492	Covalent_Unit_Count	1
13257	Total_Formal_Charge	0
101099404	Rotatable_Bond_Count	6
3878	Defined_Atom_Stereo_Count	0
17930361	Total_Formal_Charge	0
14852477	Mono_Isotopic_Weight	100.100048391
140143509	Exact_Mass	97.016378338
4359436	Defined_Bond_Stereo_Count	0
35676	Hydrogen_Bond_Donor_Count	2
62173	XLogP3-AA	5.9
78521	Tautomer_Count	7
12814867	Hydrogen_Bond_Donor_Count	1
135747268	Exact_Mass	172.0403406
16735405	TPSA	284
6367	Structure_Complexity	33
6732	Exact_Mass	230.094294304
443944	Tautomer_Count	6
10430040	Isotope_Atom_Count	0
52021	Hydrogen_Bond_Donor_Count	1
2922	Undefined_Bond_Stereo_Count	2
68510675	Non-hydrogen_Atom_Count	16
68510675	Total_Formal_Charge	0
5363685	Molecular_Weight	206.28
31068	Mono_Isotopic_Weight	365.0585488
454844	Isotope_Atom_Count	0
51082	Molecular_Weight	517.4
88024860	Total_Formal_Charge	0
321	Defined_Atom_Stereo_Count	0
132274874	Total_Formal_Charge	0
10986159	Defined_Atom_Stereo_Count	0
4024	Total_Formal_Charge	0
13374861	Undefined_Bond_Stereo_Count	0
71464587	Exact_Mass	559.09135
134836185	Isotope_Atom_Count	0
10578	Defined_Atom_Stereo_Count	0
297183	Exact_Mass	108.057514874
156587369	Undefined_Bond_Stereo_Count	0
596336	TPSA	47.6
1422	Hydrogen_Bond_Acceptor_Count	5
87703	Undefined_Atom_Stereo_Count	0
413540	Exact_Mass	264.162648646
12858475	Defined_Bond_Stereo_Count	0
674754	Undefined_Bond_Stereo_Count	0
5458730	Undefined_Bond_Stereo_Count	0
61186	Rotatable_Bond_Count	3
85576	Hydrogen_Bond_Acceptor_Count	2
232592	Undefined_Atom_Stereo_Count	1
524647	Undefined_Atom_Stereo_Count	2
53728	Hydrogen_Bond_Donor_Count	0
4562	Undefined_Bond_Stereo_Count	4
150	Hydrogen_Bond_Acceptor_Count	8
15787996	Covalent_Unit_Count	2
56983443	Undefined_Atom_Stereo_Count	0
3085267	Defined_Atom_Stereo_Count	0
443604	Rotatable_Bond_Count	10
24848325	Defined_Bond_Stereo_Count	0
30131	Total_Formal_Charge	0
10866295	TPSA	52
24350	Molecular_Weight	190.45
68583	Molecular_Weight	505.7
46937059	Mono_Isotopic_Weight	281.10519334
98365	Hydrogen_Bond_Acceptor_Count	2
9215	XLogP3	3.4
94508	Mono_Isotopic_Weight	180.06472551
10887866	Defined_Atom_Stereo_Count	0
443933	Defined_Bond_Stereo_Count	0
2733939	Exact_Mass	535.761912
91469	Undefined_Atom_Stereo_Count	0
77991	Structure_Complexity	269
361739	Undefined_Bond_Stereo_Count	1
14959372	Exact_Mass	215.094628657
3034811	Mono_Isotopic_Weight	104.968545
13220626	Isotope_Atom_Count	0
439263	Hydrogen_Bond_Donor_Count	1
724045	Undefined_Atom_Stereo_Count	0
23204	Molecular_Weight	204.35
46900403	Undefined_Atom_Stereo_Count	1
54293066	Defined_Bond_Stereo_Count	0
57131886	Structure_Complexity	84.4
216235	Undefined_Atom_Stereo_Count	0
19768091	Rotatable_Bond_Count	2
24759094	Non-hydrogen_Atom_Count	32
165411817	Exact_Mass	774.27732385
3715	Hydrogen_Bond_Donor_Count	1
7530950	Isotope_Atom_Count	0
2912	Structure_Complexity	643
524681	Rotatable_Bond_Count	2
91561252	Isotope_Atom_Count	0
61810	Molecular_Weight	188.27
16219	Molecular_Weight	283.5
20231751	Covalent_Unit_Count	1
15408	Structure_Complexity	262
5101	Undefined_Bond_Stereo_Count	0
163276613	Hydrogen_Bond_Acceptor_Count	2
22879	TPSA	157
83635304	Undefined_Bond_Stereo_Count	0
9966051	XLogP3-AA	4.2
452550	Hydrogen_Bond_Acceptor_Count	15
398	Undefined_Bond_Stereo_Count	0
190816	Hydrogen_Bond_Donor_Count	1
44149909	Molecular_Weight	691.9
219020	Total_Formal_Charge	0
9938	Molecular_Weight	130.19
10109058	Molecular_Weight	358.5
24831714	TPSA	104
7333	Mono_Isotopic_Weight	239.142247555
14906717	Mono_Isotopic_Weight	116.083729621
83095	Non-hydrogen_Atom_Count	10
19768890	Defined_Bond_Stereo_Count	0
6439420	Undefined_Atom_Stereo_Count	0
98051216	Isotope_Atom_Count	0
5462222	Non-hydrogen_Atom_Count	1
7400	TPSA	62.8
20054871	Undefined_Atom_Stereo_Count	0
84621	Covalent_Unit_Count	1
16217248	Mono_Isotopic_Weight	115.099714038
10314851	Rotatable_Bond_Count	6
66803155	Covalent_Unit_Count	1
75220691	Rotatable_Bond_Count	9
9843744	Hydrogen_Bond_Acceptor_Count	5
11349389	TPSA	61.8
22918788	Mono_Isotopic_Weight	88.052429494
143061	Defined_Atom_Stereo_Count	0
56635545	Undefined_Bond_Stereo_Count	0
12835056	Total_Formal_Charge	0
101250074	TPSA	118
6921	Mono_Isotopic_Weight	179.9953623
10346870	XLogP3-AA	3.3
57164040	TPSA	210
3037565	Hydrogen_Bond_Donor_Count	3
66751253	XLogP3-AA	3.3
6185	Defined_Bond_Stereo_Count	0
15078	Hydrogen_Bond_Donor_Count	3
140682152	Rotatable_Bond_Count	6
86836	Undefined_Bond_Stereo_Count	1
11957547	Defined_Bond_Stereo_Count	0
142891	Molecular_Weight	276.07
11761	Molecular_Weight	182.13
23533306	Structure_Complexity	773
5281025	TPSA	222
14200855	Covalent_Unit_Count	1
129676242	Defined_Atom_Stereo_Count	0
595999	Isotope_Atom_Count	0
11681588	Total_Formal_Charge	0
72165	Defined_Atom_Stereo_Count	2
5324289	Defined_Bond_Stereo_Count	0
25102847	Hydrogen_Bond_Donor_Count	2
11062806	Exact_Mass	168.162648646
527031	Total_Formal_Charge	0
16052039	Undefined_Bond_Stereo_Count	0
73415804	Isotope_Atom_Count	0
445785	Rotatable_Bond_Count	19
24744154	Total_Formal_Charge	0
130991	Structure_Complexity	1150
30858	TPSA	46.5
142883	Tautomer_Count	1
15053	Undefined_Bond_Stereo_Count	0
15576	Mono_Isotopic_Weight	571.7591
90943273	Exact_Mass	110.036779430
6314	Hydrogen_Bond_Acceptor_Count	2
22419	Undefined_Bond_Stereo_Count	0
132519	Undefined_Bond_Stereo_Count	0
26440	Defined_Atom_Stereo_Count	0
73797127	Undefined_Bond_Stereo_Count	0
43231	Defined_Bond_Stereo_Count	0
4349	Molecular_Weight	467.6
129830140	Defined_Bond_Stereo_Count	1
439280	Undefined_Bond_Stereo_Count	0
50878597	Hydrogen_Bond_Acceptor_Count	3
103453154	Mono_Isotopic_Weight	112.052429494
129645691	Hydrogen_Bond_Acceptor_Count	15
3467	Total_Formal_Charge	0
2998	Molecular_Weight	293.4
136183544	Hydrogen_Bond_Acceptor_Count	9
101306862	TPSA	136
9919910	Non-hydrogen_Atom_Count	72
19928681	Hydrogen_Bond_Acceptor_Count	3
50385	Hydrogen_Bond_Acceptor_Count	5
22805729	Defined_Atom_Stereo_Count	1
15418402	Rotatable_Bond_Count	0
71311389	Mono_Isotopic_Weight	257.925853
14543958	Covalent_Unit_Count	1
6918284	Structure_Complexity	2080
18999023	Rotatable_Bond_Count	1
123752006	Mono_Isotopic_Weight	108.093900383
1367	Covalent_Unit_Count	1
440211	Hydrogen_Bond_Acceptor_Count	12
138114158	Rotatable_Bond_Count	6
63047	Non-hydrogen_Atom_Count	34
18616052	Non-hydrogen_Atom_Count	8
161830	Rotatable_Bond_Count	1
136750	Rotatable_Bond_Count	1
24197375	Hydrogen_Bond_Donor_Count	3
439155	Defined_Atom_Stereo_Count	5
9939892	XLogP3-AA	7.1
20696068	Molecular_Weight	102.18
21876618	Undefined_Atom_Stereo_Count	0
890	Undefined_Bond_Stereo_Count	0
39056	Mono_Isotopic_Weight	295.157228913
60196407	Total_Formal_Charge	0
403648	Mono_Isotopic_Weight	382.98249
13761352	XLogP3-AA	1.3
116491595	Rotatable_Bond_Count	2
11676068	Molecular_Weight	417.9
84866	Undefined_Atom_Stereo_Count	0
23574312	Hydrogen_Bond_Acceptor_Count	1
10217663	TPSA	77
11698194	Hydrogen_Bond_Donor_Count	2
12285892	Covalent_Unit_Count	1
5311	Non-hydrogen_Atom_Count	19
79960033	Isotope_Atom_Count	0
21717212	Hydrogen_Bond_Acceptor_Count	7
6070	Undefined_Atom_Stereo_Count	0
56955286	Exact_Mass	367.168462302
18414852	Isotope_Atom_Count	0
66978	Defined_Atom_Stereo_Count	0
441328	Non-hydrogen_Atom_Count	18
643497	Molecular_Weight	341.4
26533	Mono_Isotopic_Weight	223.10308534
468	Structure_Complexity	1040
701718	XLogP3-AA	3.3
143495144	Non-hydrogen_Atom_Count	8
79510	Non-hydrogen_Atom_Count	11
6436138	Exact_Mass	424.0938327
107879	Defined_Atom_Stereo_Count	0
522609	XLogP3-AA	3.1
114709	Isotope_Atom_Count	0
84762050	Defined_Bond_Stereo_Count	0
132282518	Rotatable_Bond_Count	22
35711	Tautomer_Count	1
5282947	Undefined_Bond_Stereo_Count	0
129712078	Undefined_Atom_Stereo_Count	2
9846339	Isotope_Atom_Count	0
449293	XLogP3-AA	0.8
91667591	Rotatable_Bond_Count	16
860695	Structure_Complexity	447
13415147	Rotatable_Bond_Count	2
17149	Molecular_Weight	98.19
123223196	Structure_Complexity	103
9433	Defined_Bond_Stereo_Count	0
94280	Non-hydrogen_Atom_Count	22
139085816	Non-hydrogen_Atom_Count	19
102118	Exact_Mass	444.06926132
11412355	Defined_Bond_Stereo_Count	0
9759	Covalent_Unit_Count	1
3081743	TPSA	62.3
71453204	Undefined_Bond_Stereo_Count	0
1133320	Hydrogen_Bond_Acceptor_Count	7
154734173	TPSA	55.4
71455277	Non-hydrogen_Atom_Count	35
12705072	TPSA	20.2
19027815	TPSA	15.8
843960	Hydrogen_Bond_Acceptor_Count	3
6427110	Total_Formal_Charge	0
129852452	Rotatable_Bond_Count	8
4177	XLogP3-AA	3.7
4435	Undefined_Atom_Stereo_Count	6
29739	Undefined_Bond_Stereo_Count	0
39174	Defined_Bond_Stereo_Count	0
61082	Hydrogen_Bond_Donor_Count	0
6360	Structure_Complexity	4.8
156328	Molecular_Weight	402.5
61361	Molecular_Weight	190.24
6638	Undefined_Atom_Stereo_Count	0
7374	Undefined_Bond_Stereo_Count	0
76973294	TPSA	57.2
11305985	Rotatable_Bond_Count	14
68081017	Defined_Atom_Stereo_Count	0
101641111	Undefined_Atom_Stereo_Count	0
104798	Structure_Complexity	0
50938	Covalent_Unit_Count	1
2760056	Tautomer_Count	4
47750	Undefined_Atom_Stereo_Count	0
7054	Hydrogen_Bond_Acceptor_Count	2
452723	Isotope_Atom_Count	0
403646	Rotatable_Bond_Count	2
28566812	Defined_Atom_Stereo_Count	0
3527720	Exact_Mass	228.14739250
6883	Undefined_Atom_Stereo_Count	0
5376733	Total_Formal_Charge	0
21932619	Molecular_Weight	277.25
12309464	Hydrogen_Bond_Acceptor_Count	4
14444485	Hydrogen_Bond_Acceptor_Count	7
71587119	Non-hydrogen_Atom_Count	40
54582799	Defined_Bond_Stereo_Count	0
5362115	Total_Formal_Charge	0
3337411	Molecular_Weight	388.31
124069	Tautomer_Count	1
9793696	Hydrogen_Bond_Acceptor_Count	2
91667752	TPSA	290
4831	Defined_Atom_Stereo_Count	0
292	TPSA	301
12456033	Undefined_Atom_Stereo_Count	0
7896	Tautomer_Count	1
9958041	Covalent_Unit_Count	2
444474	Hydrogen_Bond_Acceptor_Count	4
11626384	Molecular_Weight	441.9
326	Rotatable_Bond_Count	2
89421960	TPSA	29.5
24820357	Total_Formal_Charge	0
56668819	Hydrogen_Bond_Donor_Count	1
10888051	Defined_Bond_Stereo_Count	0
24865390	Non-hydrogen_Atom_Count	22
153238571	Undefined_Atom_Stereo_Count	2
123865	TPSA	248
11382	Structure_Complexity	480
10704662	Covalent_Unit_Count	1
10767	TPSA	29.5
48882	Defined_Atom_Stereo_Count	0
10683	Isotope_Atom_Count	0
6328200	Hydrogen_Bond_Donor_Count	0
19063360	Mono_Isotopic_Weight	112.125200510
70103	Mono_Isotopic_Weight	83.073499291
10712	Mono_Isotopic_Weight	342.11621151
202792	Hydrogen_Bond_Acceptor_Count	2
9999	Undefined_Bond_Stereo_Count	0
398578	Exact_Mass	343.1582033
69925	Mono_Isotopic_Weight	276.097041664
5966	Defined_Atom_Stereo_Count	0
137249786	Structure_Complexity	1140
43260	Rotatable_Bond_Count	4
6025	Structure_Complexity	276
17904790	Undefined_Atom_Stereo_Count	0
87642	Molecular_Weight	767.5
637776	Hydrogen_Bond_Donor_Count	0
8422	Molecular_Weight	202.21
21661235	Isotope_Atom_Count	0
14563	TPSA	45.8
73353578	Mono_Isotopic_Weight	410.0945816
874073	Structure_Complexity	506
5802	Exact_Mass	189.93779
71397	Hydrogen_Bond_Acceptor_Count	1
6369390	Exact_Mass	78.99489136
60336	Non-hydrogen_Atom_Count	20
2856977	Mono_Isotopic_Weight	247.132076794
129860157	Undefined_Bond_Stereo_Count	0
24917008	Defined_Bond_Stereo_Count	0
85999939	Defined_Atom_Stereo_Count	0
134990043	Exact_Mass	99.02327524
6405709	TPSA	77.8
119489	Rotatable_Bond_Count	2
21972128	Undefined_Bond_Stereo_Count	0
22015942	Rotatable_Bond_Count	3
71880	Hydrogen_Bond_Donor_Count	2
79946	Isotope_Atom_Count	0
73229	Covalent_Unit_Count	1
30930	Undefined_Atom_Stereo_Count	0
7840	Rotatable_Bond_Count	1
5150303	Isotope_Atom_Count	0
10130360	Hydrogen_Bond_Acceptor_Count	4
411832	Covalent_Unit_Count	1
72378	Hydrogen_Bond_Acceptor_Count	5
62932	Defined_Bond_Stereo_Count	0
6603775	Mono_Isotopic_Weight	1201.84136802
14146878	Isotope_Atom_Count	0
91723653	Hydrogen_Bond_Acceptor_Count	0
85812	Defined_Bond_Stereo_Count	0
1708	Undefined_Atom_Stereo_Count	0
132777208	Structure_Complexity	382
160508452	Exact_Mass	527.23263824
66091	Tautomer_Count	2
16122643	Defined_Atom_Stereo_Count	0
56520	Hydrogen_Bond_Acceptor_Count	3
54676228	Molecular_Weight	331.3
57420151	Rotatable_Bond_Count	0
551	Rotatable_Bond_Count	4
130567	Rotatable_Bond_Count	8
19990	Structure_Complexity	108
64927	Total_Formal_Charge	0
16760374	TPSA	324
773	Molecular_Weight	155.15
14244	Defined_Bond_Stereo_Count	0
13570060	Undefined_Bond_Stereo_Count	0
146779553	Exact_Mass	108.093900383
57522038	Rotatable_Bond_Count	7
4560140	Defined_Atom_Stereo_Count	0
129628370	Exact_Mass	143.00409958
50997747	Total_Formal_Charge	0
6858006	Undefined_Bond_Stereo_Count	0
41037	Undefined_Atom_Stereo_Count	1
43454	Structure_Complexity	365
159501	Defined_Bond_Stereo_Count	0
67113727	Structure_Complexity	277
12872197	XLogP3-AA	0
13463247	Defined_Atom_Stereo_Count	0
17930361	Hydrogen_Bond_Donor_Count	0
138979	Defined_Atom_Stereo_Count	0
10249057	Isotope_Atom_Count	0
10335364	Undefined_Atom_Stereo_Count	0
11546947	Molecular_Weight	453.0
15565709	Hydrogen_Bond_Acceptor_Count	4
87532690	Structure_Complexity	83.4
5917	Exact_Mass	138.090546336
12478167	Defined_Bond_Stereo_Count	0
44717198	Isotope_Atom_Count	0
208921	Tautomer_Count	1
942119	Molecular_Weight	313.28
85670850	Defined_Atom_Stereo_Count	0
2775	Rotatable_Bond_Count	2
11945	Total_Formal_Charge	0
11463807	Molecular_Weight	403.3
206527	Molecular_Weight	407.5
27182	TPSA	21.3
66112	Hydrogen_Bond_Donor_Count	0
39212	Rotatable_Bond_Count	9
56679083	Undefined_Atom_Stereo_Count	0
119025724	Defined_Bond_Stereo_Count	0
18755330	Hydrogen_Bond_Donor_Count	2
661938	Non-hydrogen_Atom_Count	31
122239	Defined_Bond_Stereo_Count	0
129674572	Hydrogen_Bond_Donor_Count	0
439782	Undefined_Atom_Stereo_Count	1
10987348	TPSA	0
32597	TPSA	38.3
54556023	Molecular_Weight	113.16
77332	Rotatable_Bond_Count	5
9548801	Defined_Atom_Stereo_Count	10
11387	Undefined_Bond_Stereo_Count	0
533	Molecular_Weight	80.99
21864369	Exact_Mass	1483.406877
5795	Covalent_Unit_Count	2
219099	Total_Formal_Charge	0
33934	Total_Formal_Charge	0
10788	Hydrogen_Bond_Acceptor_Count	3
86308574	Undefined_Bond_Stereo_Count	0
23476	Covalent_Unit_Count	4
136576216	TPSA	26
24086	Defined_Atom_Stereo_Count	5
276561	Isotope_Atom_Count	0
21737	XLogP3-AA	1.4
92154	Rotatable_Bond_Count	1
9908306	Rotatable_Bond_Count	4
38666	Undefined_Atom_Stereo_Count	0
23537	Tautomer_Count	3
10866285	Mono_Isotopic_Weight	110.084398327
333942	Hydrogen_Bond_Donor_Count	2
50878565	Molecular_Weight	452.5
98341	Defined_Atom_Stereo_Count	0
146463800	Hydrogen_Bond_Acceptor_Count	2
6560	Hydrogen_Bond_Acceptor_Count	1
13449768	Covalent_Unit_Count	1
9795291	Mono_Isotopic_Weight	265.09866828
43261	Rotatable_Bond_Count	7
16666	Covalent_Unit_Count	1
758	Non-hydrogen_Atom_Count	80
103	Hydrogen_Bond_Donor_Count	11
118360945	Hydrogen_Bond_Donor_Count	0
5459910	TPSA	38.8
269395	Covalent_Unit_Count	1
73101855	Rotatable_Bond_Count	11
5770	Covalent_Unit_Count	1
84715998	Molecular_Weight	112.13
46931204	Non-hydrogen_Atom_Count	29
11339	Undefined_Bond_Stereo_Count	0
18947655	Exact_Mass	98.048012819
22219016	TPSA	123
101297691	Defined_Bond_Stereo_Count	0
74888	Non-hydrogen_Atom_Count	22
15666	Hydrogen_Bond_Acceptor_Count	2
155290	Undefined_Bond_Stereo_Count	0
736351	Defined_Atom_Stereo_Count	0
53974092	Defined_Bond_Stereo_Count	0
129148	TPSA	138
454937	Undefined_Atom_Stereo_Count	1
54760314	Rotatable_Bond_Count	3
12289998	Covalent_Unit_Count	1
6435360	Undefined_Atom_Stereo_Count	1
56679001	Hydrogen_Bond_Donor_Count	2
6444397	Total_Formal_Charge	0
76118878	Hydrogen_Bond_Acceptor_Count	2
99816	Defined_Atom_Stereo_Count	0
11120	Structure_Complexity	92.6
46936900	Total_Formal_Charge	0
398678	Exact_Mass	425.1405288
441364	Exact_Mass	503.2802365
544613	Hydrogen_Bond_Acceptor_Count	2
6993349	Molecular_Weight	165.28
23278715	Structure_Complexity	872
18954381	Covalent_Unit_Count	1
160550	Hydrogen_Bond_Donor_Count	1
62334	Tautomer_Count	1
12328896	TPSA	136
134826477	Rotatable_Bond_Count	19
13516401	Undefined_Bond_Stereo_Count	0
51138321	Molecular_Weight	106.13
22153558	Mono_Isotopic_Weight	85.089149355
2548	Isotope_Atom_Count	0
80566	Exact_Mass	184.9799046
11598	Defined_Atom_Stereo_Count	0
134812007	Isotope_Atom_Count	0
10460941	Rotatable_Bond_Count	12
6433266	Covalent_Unit_Count	1
12711096	Exact_Mass	110.084398327
139585852	TPSA	60.9
22263119	Total_Formal_Charge	0
135413496	Undefined_Atom_Stereo_Count	0
51092	Total_Formal_Charge	0
9895035	Mono_Isotopic_Weight	604.34471258
23581796	XLogP3	2.7
620625	XLogP3-AA	1
23694214	Defined_Atom_Stereo_Count	7
2771758	Defined_Bond_Stereo_Count	0
156618045	Hydrogen_Bond_Acceptor_Count	11
20727	Structure_Complexity	63.5
9940864	Structure_Complexity	1460
650572	Defined_Bond_Stereo_Count	0
130872	Exact_Mass	260.02971899
68322184	Isotope_Atom_Count	0
3022	Non-hydrogen_Atom_Count	19
216258	Undefined_Atom_Stereo_Count	13
4206	Defined_Bond_Stereo_Count	0
7702	Exact_Mass	150.104465066
44592366	Structure_Complexity	404
135398671	Defined_Bond_Stereo_Count	1
661093	Total_Formal_Charge	0
22129000	Covalent_Unit_Count	1
527031	Hydrogen_Bond_Donor_Count	0
391138	XLogP3-AA	2.9
20067437	Covalent_Unit_Count	1
45116623	Molecular_Weight	101.10
67030919	Isotope_Atom_Count	0
82718360	Undefined_Bond_Stereo_Count	0
67322	Undefined_Bond_Stereo_Count	0
38016	XLogP3	7.1
171808	Defined_Atom_Stereo_Count	12
206311	Defined_Atom_Stereo_Count	2
135823198	Undefined_Atom_Stereo_Count	1
448601	Covalent_Unit_Count	1
3007744	Undefined_Atom_Stereo_Count	0
122241575	TPSA	54
162652	TPSA	93.4
58	Non-hydrogen_Atom_Count	7
139348436	Covalent_Unit_Count	1
84658	Covalent_Unit_Count	1
9903970	Undefined_Bond_Stereo_Count	0
13510025	Undefined_Atom_Stereo_Count	0
1041	Undefined_Atom_Stereo_Count	4
250074	Defined_Atom_Stereo_Count	0
8737	Hydrogen_Bond_Donor_Count	4
3955599	Exact_Mass	124.99085481
153772784	Non-hydrogen_Atom_Count	8
139062655	Defined_Bond_Stereo_Count	0
13349550	Undefined_Atom_Stereo_Count	4
32592	Undefined_Bond_Stereo_Count	0
11111	Rotatable_Bond_Count	0
62706165	XLogP3-AA	3.7
31233	Total_Formal_Charge	0
125461340	Molecular_Weight	665.7
5505	Covalent_Unit_Count	1
43858	Defined_Bond_Stereo_Count	0
61325	Defined_Bond_Stereo_Count	0
260913	Non-hydrogen_Atom_Count	8
15559311	Exact_Mass	842.51400504
117807974	Defined_Bond_Stereo_Count	0
4759	Undefined_Atom_Stereo_Count	4
6943	Undefined_Atom_Stereo_Count	0
146689208	Mono_Isotopic_Weight	110.073164938
3720	Molecular_Weight	810.7
77737505	Undefined_Bond_Stereo_Count	0
12739589	Defined_Atom_Stereo_Count	0
21943184	Hydrogen_Bond_Acceptor_Count	3
6603	Mono_Isotopic_Weight	155.167399674
79418	Isotope_Atom_Count	0
9903930	Defined_Bond_Stereo_Count	0
66982	Molecular_Weight	190.71
5783	Hydrogen_Bond_Donor_Count	1
36272	Mono_Isotopic_Weight	439.21409234
93463	Covalent_Unit_Count	1
9964076	Covalent_Unit_Count	1
518964	Covalent_Unit_Count	1
22737404	Undefined_Bond_Stereo_Count	0
6519	Hydrogen_Bond_Donor_Count	4
70359	Rotatable_Bond_Count	3
84363	Isotope_Atom_Count	0
44349142	Hydrogen_Bond_Donor_Count	2
74470	Isotope_Atom_Count	0
56654130	Structure_Complexity	851
17150	Structure_Complexity	707
160565	Non-hydrogen_Atom_Count	21
4797519	Undefined_Atom_Stereo_Count	1
4113	Covalent_Unit_Count	1
94222	Defined_Bond_Stereo_Count	0
101602193	Molecular_Weight	666.9
70685697	XLogP3-AA	4.3
5358	Hydrogen_Bond_Donor_Count	2
193956	Isotope_Atom_Count	0
20626699	Defined_Atom_Stereo_Count	0
34692	Defined_Bond_Stereo_Count	0
83949	Hydrogen_Bond_Acceptor_Count	13
13528037	Mono_Isotopic_Weight	499.9470097
15213038	Mono_Isotopic_Weight	87.068413911
11154711	Mono_Isotopic_Weight	432.08136409
67686	Structure_Complexity	336
25127713	Rotatable_Bond_Count	6
24536	Structure_Complexity	135
21537133	Mono_Isotopic_Weight	116.047344113
53956489	Defined_Atom_Stereo_Count	0
58550597	Molecular_Weight	96.13
6581	Covalent_Unit_Count	1
12550	Hydrogen_Bond_Acceptor_Count	9
11145	XLogP3	3.8
69341050	Defined_Atom_Stereo_Count	0
49857672	Rotatable_Bond_Count	8
21753162	TPSA	55.6
10410468	Covalent_Unit_Count	1
656909	Molecular_Weight	308.44
131728182	Defined_Atom_Stereo_Count	0
134613	Non-hydrogen_Atom_Count	20
13885286	Structure_Complexity	318
649852	Total_Formal_Charge	0
5310969	Hydrogen_Bond_Acceptor_Count	3
13597081	Molecular_Weight	102.13
10727124	Total_Formal_Charge	0
9568613	Non-hydrogen_Atom_Count	49
449593	Exact_Mass	118.086803626
57398257	Total_Formal_Charge	0
163317	Rotatable_Bond_Count	2
104981	Defined_Atom_Stereo_Count	0
6977134	Rotatable_Bond_Count	2
15942892	Defined_Bond_Stereo_Count	0
49831411	Isotope_Atom_Count	0
55604	Hydrogen_Bond_Donor_Count	0
87074	Hydrogen_Bond_Donor_Count	1
24848271	Molecular_Weight	256.36
22082547	Rotatable_Bond_Count	3
3032600	Molecular_Weight	425.9
71116366	Non-hydrogen_Atom_Count	41
18372143	Structure_Complexity	109
19077520	Exact_Mass	416.1415318
11961	Defined_Bond_Stereo_Count	0
225688	Defined_Bond_Stereo_Count	0
17579	Tautomer_Count	1
90532	Covalent_Unit_Count	1
12372797	Defined_Atom_Stereo_Count	0
70124	Undefined_Atom_Stereo_Count	1
86222	Non-hydrogen_Atom_Count	26
627458	Hydrogen_Bond_Acceptor_Count	2
139631450	XLogP3-AA	1
5283387	Rotatable_Bond_Count	15
144456	XLogP3-AA	3.2
2423	Isotope_Atom_Count	0
21872090	Total_Formal_Charge	0
91756	Structure_Complexity	641
129307545	Mono_Isotopic_Weight	423.37298248
134399	Undefined_Bond_Stereo_Count	0
59283	Rotatable_Bond_Count	2
44629714	Hydrogen_Bond_Donor_Count	5
91439614	Rotatable_Bond_Count	2
3959	Covalent_Unit_Count	1
23617235	Total_Formal_Charge	1
751496	Isotope_Atom_Count	0
140606019	Undefined_Atom_Stereo_Count	1
8011	Hydrogen_Bond_Donor_Count	1
3025961	Defined_Bond_Stereo_Count	0
38855	Defined_Atom_Stereo_Count	0
5326161	Undefined_Bond_Stereo_Count	0
8496	Rotatable_Bond_Count	2
351917	Mono_Isotopic_Weight	198.0018471
135539077	Undefined_Atom_Stereo_Count	0
24974448	Total_Formal_Charge	0
14671256	Rotatable_Bond_Count	4
9571016	Mono_Isotopic_Weight	576.156552
80466	Defined_Atom_Stereo_Count	0
424893	Structure_Complexity	751
16600	Undefined_Bond_Stereo_Count	0
6183357	Tautomer_Count	1001
20352	Rotatable_Bond_Count	4
24848345	Molecular_Weight	234.31
5351130	Hydrogen_Bond_Acceptor_Count	14
15575619	Mono_Isotopic_Weight	752.41490014
58223476	Defined_Bond_Stereo_Count	0
4369579	Isotope_Atom_Count	0
5288252	Total_Formal_Charge	0
68907	Mono_Isotopic_Weight	212.0716407
60196335	Undefined_Bond_Stereo_Count	0
3744	Defined_Atom_Stereo_Count	0
8663	Exact_Mass	144.057514874
5879	Isotope_Atom_Count	0
45282362	Undefined_Bond_Stereo_Count	0
98323	Defined_Bond_Stereo_Count	0
20519089	Molecular_Weight	351.0
12086	Defined_Bond_Stereo_Count	0
84986	Isotope_Atom_Count	0
46781459	Defined_Atom_Stereo_Count	4
13427979	Non-hydrogen_Atom_Count	8
76223	Total_Formal_Charge	0
3856	Defined_Atom_Stereo_Count	0
5154	Structure_Complexity	530
5256574	Mono_Isotopic_Weight	152.01903862
35076	Hydrogen_Bond_Donor_Count	3
75606	Molecular_Weight	103.08
44590447	Hydrogen_Bond_Acceptor_Count	7
74599	Non-hydrogen_Atom_Count	8
5282947	Defined_Atom_Stereo_Count	0
5460723	Hydrogen_Bond_Acceptor_Count	1
72332	Exact_Mass	545.26248182
8006	XLogP3-AA	1.9
17533	Total_Formal_Charge	0
3488	Defined_Atom_Stereo_Count	0
14298876	Hydrogen_Bond_Acceptor_Count	2
134693959	Molecular_Weight	461.4
9793705	Non-hydrogen_Atom_Count	7
44563117	Defined_Bond_Stereo_Count	0
69672	Isotope_Atom_Count	0
4109	Covalent_Unit_Count	1
30544	Rotatable_Bond_Count	1
70690637	Isotope_Atom_Count	0
20054948	Mono_Isotopic_Weight	569.29082182
81832	Hydrogen_Bond_Acceptor_Count	5
135491830	Defined_Bond_Stereo_Count	1
136053758	Undefined_Bond_Stereo_Count	1
5283137	Undefined_Bond_Stereo_Count	0
69347980	Covalent_Unit_Count	1
148676572	Exact_Mass	108.093900383
7021156	Molecular_Weight	118.17
129320263	Defined_Bond_Stereo_Count	0
978766	Covalent_Unit_Count	1
918412	Exact_Mass	273.03644
2746	Covalent_Unit_Count	1
69004	Covalent_Unit_Count	1
222155	Molecular_Weight	548.7
21591456	Molecular_Weight	222.37
55288133	Hydrogen_Bond_Donor_Count	1
14146220	Isotope_Atom_Count	0
86369	Hydrogen_Bond_Donor_Count	1
632910	Exact_Mass	386.260965704
2752647	Non-hydrogen_Atom_Count	7
13015	Mono_Isotopic_Weight	137.0032268
74041115	Molecular_Weight	96.17
838868	Mono_Isotopic_Weight	187.063328530
50997747	Hydrogen_Bond_Donor_Count	0
135457302	Isotope_Atom_Count	0
136965670	Hydrogen_Bond_Donor_Count	15
13582607	Isotope_Atom_Count	0
8434	Defined_Bond_Stereo_Count	0
8430	XLogP3-AA	3.5
917192	Undefined_Atom_Stereo_Count	0
80519	Rotatable_Bond_Count	1
12079	Isotope_Atom_Count	0
20652880	Hydrogen_Bond_Donor_Count	2
11865405	Hydrogen_Bond_Donor_Count	2
76048	Covalent_Unit_Count	1
48041	Mono_Isotopic_Weight	352.215078140
12210504	Defined_Atom_Stereo_Count	0
56841556	Undefined_Atom_Stereo_Count	0
11105314	Mono_Isotopic_Weight	97.052763847
37993	Tautomer_Count	1
54576693	Rotatable_Bond_Count	3
86656004	Undefined_Bond_Stereo_Count	0
53859	Rotatable_Bond_Count	4
57077963	Undefined_Bond_Stereo_Count	1
197839	Defined_Bond_Stereo_Count	0
10429739	Defined_Bond_Stereo_Count	0
208832	Rotatable_Bond_Count	7
676328	Defined_Bond_Stereo_Count	0
7883	Rotatable_Bond_Count	2
4248	Total_Formal_Charge	0
10098504	Structure_Complexity	951
68846936	Defined_Atom_Stereo_Count	0
53765848	Hydrogen_Bond_Donor_Count	0
265652	Defined_Atom_Stereo_Count	0
5850	Non-hydrogen_Atom_Count	17
7232	Covalent_Unit_Count	1
1416	Undefined_Atom_Stereo_Count	2
6918146	Defined_Atom_Stereo_Count	0
9831783	Non-hydrogen_Atom_Count	52
11137085	Covalent_Unit_Count	2
527633	Exact_Mass	117.078978594
6593	Tautomer_Count	1
5491665	Mono_Isotopic_Weight	531.1560986
1834	Defined_Atom_Stereo_Count	0
8998	Hydrogen_Bond_Acceptor_Count	4
736530	Hydrogen_Bond_Acceptor_Count	2
12928049	Undefined_Bond_Stereo_Count	0
64929	Covalent_Unit_Count	1
20226581	Non-hydrogen_Atom_Count	8
19571	XLogP3	5.1
2757950	TPSA	61.1
19604	Defined_Bond_Stereo_Count	0
43678	Non-hydrogen_Atom_Count	29
64624	Tautomer_Count	1
42768	Hydrogen_Bond_Acceptor_Count	9
99564	Tautomer_Count	1
4040	Isotope_Atom_Count	0
123885601	Structure_Complexity	92.6
11672461	Undefined_Atom_Stereo_Count	0
32966	Undefined_Bond_Stereo_Count	0
12491609	Molecular_Weight	112.17
9548602	Hydrogen_Bond_Acceptor_Count	6
16767478	TPSA	37.8
90437	Defined_Atom_Stereo_Count	1
91590871	Rotatable_Bond_Count	2
19932705	Non-hydrogen_Atom_Count	8
11513733	Hydrogen_Bond_Donor_Count	0
33934	Hydrogen_Bond_Donor_Count	0
1424	Rotatable_Bond_Count	14
8946	Non-hydrogen_Atom_Count	10
95380	Covalent_Unit_Count	1
33500	Undefined_Atom_Stereo_Count	0
20202559	Isotope_Atom_Count	0
16051921	Rotatable_Bond_Count	6
93550	Molecular_Weight	273.28
137747	Tautomer_Count	1
1549062	Non-hydrogen_Atom_Count	16
12576851	Mono_Isotopic_Weight	112.074896272
56658437	Total_Formal_Charge	0
703965	Mono_Isotopic_Weight	218.05138412
134129858	Isotope_Atom_Count	0
129738164	Defined_Bond_Stereo_Count	0
44520	Covalent_Unit_Count	1
3034034	Hydrogen_Bond_Acceptor_Count	4
12441659	Hydrogen_Bond_Donor_Count	0
26035	Mono_Isotopic_Weight	326.14528450
70751	Hydrogen_Bond_Acceptor_Count	3
60196351	Structure_Complexity	340
544596	Non-hydrogen_Atom_Count	7
441141	Mono_Isotopic_Weight	1447.4301997
15496999	Molecular_Weight	97.12
54024247	Hydrogen_Bond_Acceptor_Count	2
68162	Tautomer_Count	1
8130	Hydrogen_Bond_Donor_Count	0
23262349	Isotope_Atom_Count	0
123448160	Defined_Atom_Stereo_Count	0
10909529	Total_Formal_Charge	0
53302268	Defined_Bond_Stereo_Count	0
87810	Undefined_Bond_Stereo_Count	0
11478	Non-hydrogen_Atom_Count	21
448042	Mono_Isotopic_Weight	247.168462302
102601142	Total_Formal_Charge	0
135565471	TPSA	297
15031685	Exact_Mass	114.079312947
13738268	Hydrogen_Bond_Donor_Count	0
128229	Exact_Mass	822.40378589
46926350	TPSA	91.2
45116623	Total_Formal_Charge	0
3035569	Structure_Complexity	175
961192	Defined_Bond_Stereo_Count	0
129812304	XLogP3-AA	1.7
117791208	Exact_Mass	102.079312947
989384	Mono_Isotopic_Weight	408.13550766
46231497	Hydrogen_Bond_Acceptor_Count	5
138005	Non-hydrogen_Atom_Count	17
6437064	Undefined_Atom_Stereo_Count	0
9284	Hydrogen_Bond_Acceptor_Count	2
123489618	Undefined_Bond_Stereo_Count	0
3014955	Defined_Bond_Stereo_Count	0
84647654	Defined_Bond_Stereo_Count	0
5280649	Rotatable_Bond_Count	3
9874875	Structure_Complexity	726
566685	Total_Formal_Charge	0
9348	Undefined_Atom_Stereo_Count	0
172296	Total_Formal_Charge	0
198015	Isotope_Atom_Count	0
643976	Rotatable_Bond_Count	7
11251522	Undefined_Bond_Stereo_Count	0
3613546	Covalent_Unit_Count	3
20297545	Isotope_Atom_Count	0
12842606	Hydrogen_Bond_Acceptor_Count	2
12231415	Rotatable_Bond_Count	1
67180	Hydrogen_Bond_Acceptor_Count	2
2729005	Defined_Atom_Stereo_Count	1
87168	Tautomer_Count	1
55284046	Structure_Complexity	55.7
402869	Total_Formal_Charge	0
54765302	Total_Formal_Charge	0
825877	Non-hydrogen_Atom_Count	15
101019202	Hydrogen_Bond_Acceptor_Count	8
154689	Exact_Mass	285.19534575
225	Rotatable_Bond_Count	0
136013897	Hydrogen_Bond_Acceptor_Count	3
11040	Undefined_Atom_Stereo_Count	1
604767	Hydrogen_Bond_Acceptor_Count	4
101808860	Defined_Atom_Stereo_Count	0
16155603	Rotatable_Bond_Count	65
54848	Defined_Bond_Stereo_Count	0
9806229	TPSA	73.4
5484438	Covalent_Unit_Count	2
21973740	Undefined_Atom_Stereo_Count	2
13044948	XLogP3-AA	0.3
12436	Structure_Complexity	79.3
19390240	Rotatable_Bond_Count	3
4149208	Hydrogen_Bond_Acceptor_Count	2
83295	Non-hydrogen_Atom_Count	29
136362	Hydrogen_Bond_Donor_Count	2
155903168	Hydrogen_Bond_Acceptor_Count	14
15446403	Exact_Mass	96.057514874
70691395	Rotatable_Bond_Count	4
69663	Hydrogen_Bond_Acceptor_Count	2
115368	Molecular_Weight	426.6
165365661	Covalent_Unit_Count	3
14280898	Hydrogen_Bond_Donor_Count	2
60529	Structure_Complexity	301
20483595	Exact_Mass	106.053098200
71697	Exact_Mass	304.0866221
7267	Exact_Mass	122.073164938
1240	Rotatable_Bond_Count	6
5954	Total_Formal_Charge	0
10307849	XLogP3-AA	0.8
123966192	Isotope_Atom_Count	0
22082536	Total_Formal_Charge	0
8633	Total_Formal_Charge	0
54516038	Non-hydrogen_Atom_Count	8
23677992	Undefined_Atom_Stereo_Count	0
191109	Exact_Mass	131.037113783
19930616	Isotope_Atom_Count	0
410906	Hydrogen_Bond_Acceptor_Count	8
67258371	Defined_Atom_Stereo_Count	0
173411	Defined_Atom_Stereo_Count	0
3715739	Molecular_Weight	219.27
146156358	Non-hydrogen_Atom_Count	37
9833652	Defined_Atom_Stereo_Count	12
36431	Exact_Mass	421.2244530
557134	Mono_Isotopic_Weight	112.052429494
5364628	Isotope_Atom_Count	0
91670	Undefined_Bond_Stereo_Count	0
44414728	Covalent_Unit_Count	1
3823887	Undefined_Bond_Stereo_Count	0
13408099	Covalent_Unit_Count	1
71456995	Hydrogen_Bond_Acceptor_Count	16
23615703	Molecular_Weight	204.18
54025111	Undefined_Bond_Stereo_Count	0
900	Non-hydrogen_Atom_Count	19
199229	Hydrogen_Bond_Donor_Count	0
256019	Exact_Mass	218.04129354
121891	Undefined_Atom_Stereo_Count	0
159968	Defined_Atom_Stereo_Count	0
16760159	Defined_Bond_Stereo_Count	0
13736254	Non-hydrogen_Atom_Count	8
15020	Undefined_Atom_Stereo_Count	0
2734223	Isotope_Atom_Count	0
8109	Mono_Isotopic_Weight	104.083729621
69484	Isotope_Atom_Count	0
20228546	Total_Formal_Charge	0
66704605	Undefined_Bond_Stereo_Count	1
12068306	Isotope_Atom_Count	0
2356	Structure_Complexity	458
10405144	Non-hydrogen_Atom_Count	18
121410806	Non-hydrogen_Atom_Count	37
83975	Hydrogen_Bond_Acceptor_Count	4
5311068	Exact_Mass	200.131348519
85141	Mono_Isotopic_Weight	185.96803
11332430	Mono_Isotopic_Weight	109.063997236
5388949	Undefined_Atom_Stereo_Count	0
3033521	Total_Formal_Charge	0
118052411	Hydrogen_Bond_Donor_Count	8
6950286	Covalent_Unit_Count	1
25272022	Undefined_Atom_Stereo_Count	0
60196440	Isotope_Atom_Count	0
88332	Hydrogen_Bond_Donor_Count	0
136843	Exact_Mass	167.094628657
44590515	Isotope_Atom_Count	0
44144	Hydrogen_Bond_Acceptor_Count	5
13516401	Defined_Atom_Stereo_Count	0
130664213	Undefined_Bond_Stereo_Count	0
11619076	Undefined_Atom_Stereo_Count	0
637776	TPSA	18.5
150311	XLogP3-AA	4
21058171	Defined_Atom_Stereo_Count	0
70837	Isotope_Atom_Count	0
16722836	Mono_Isotopic_Weight	524.25696021
88984133	Total_Formal_Charge	0
4306436	Structure_Complexity	436
4906	Hydrogen_Bond_Donor_Count	2
1551245	Exact_Mass	149.120449483
14823	Tautomer_Count	1
8784	Rotatable_Bond_Count	2
562729	Molecular_Weight	192.21
14378821	Exact_Mass	100.052429494
524409	Covalent_Unit_Count	1
7945	XLogP3-AA	1.7
22380788	Exact_Mass	111.032028402
3005839	Defined_Atom_Stereo_Count	1
3734	Structure_Complexity	583
5225092	Rotatable_Bond_Count	7
16052007	TPSA	137
115163	Exact_Mass	439.21409234
53320156	Hydrogen_Bond_Acceptor_Count	5
62875	Mono_Isotopic_Weight	304.0800974
17778639	Molecular_Weight	84.12
4272	Undefined_Bond_Stereo_Count	1
112	Mono_Isotopic_Weight	212.98002914
53817503	Undefined_Bond_Stereo_Count	0
20090050	Hydrogen_Bond_Donor_Count	1
298082	Mono_Isotopic_Weight	112.052429494
30493	Isotope_Atom_Count	0
24957182	Mono_Isotopic_Weight	603.20933888
70686373	Hydrogen_Bond_Donor_Count	2
825	Rotatable_Bond_Count	1
15062870	Molecular_Weight	112.13
61124202	Undefined_Atom_Stereo_Count	1
17753851	Covalent_Unit_Count	1
135431094	Structure_Complexity	2510
1479778	Rotatable_Bond_Count	2
9793723	Isotope_Atom_Count	0
73280	Undefined_Bond_Stereo_Count	0
60983	TPSA	34.1
138975	Non-hydrogen_Atom_Count	14
57714	Structure_Complexity	324
119086018	Non-hydrogen_Atom_Count	8
60995	Isotope_Atom_Count	0
12260	Undefined_Bond_Stereo_Count	0
25203624	Exact_Mass	374.1457717
22674	Rotatable_Bond_Count	6
8811	Tautomer_Count	1
10219396	Hydrogen_Bond_Acceptor_Count	2
101879801	Total_Formal_Charge	0
53324736	Undefined_Atom_Stereo_Count	1
6437352	Hydrogen_Bond_Acceptor_Count	5
1785	Molecular_Weight	392.5
59907918	Hydrogen_Bond_Acceptor_Count	11
25526	XLogP3-AA	4.2
63333521	Undefined_Atom_Stereo_Count	1
9905438	Structure_Complexity	393
61585	Non-hydrogen_Atom_Count	18
53850714	Hydrogen_Bond_Acceptor_Count	1
5534	Defined_Atom_Stereo_Count	0
10419137	Molecular_Weight	98.15
165542295	Undefined_Atom_Stereo_Count	2
9940690	Mono_Isotopic_Weight	814.32592949
12625720	TPSA	9.2
1551246	Covalent_Unit_Count	1
145984	Defined_Atom_Stereo_Count	3
53232849	TPSA	21.6
66117	Hydrogen_Bond_Acceptor_Count	4
7129	Mono_Isotopic_Weight	172.088815002
2471	Hydrogen_Bond_Donor_Count	3
75345	Defined_Atom_Stereo_Count	0
290223	XLogP3-AA	1.9
194777	Total_Formal_Charge	0
12527	Rotatable_Bond_Count	4
3906961	Isotope_Atom_Count	0
91528	Hydrogen_Bond_Acceptor_Count	4
6917700	Defined_Bond_Stereo_Count	0
11540045	XLogP3-AA	5.8
571736	TPSA	52.5
14072448	Structure_Complexity	78.4
9188	Defined_Bond_Stereo_Count	0
501728	Undefined_Bond_Stereo_Count	0
46877881	Hydrogen_Bond_Donor_Count	9
14340	Exact_Mass	196.07355886
12069	Molecular_Weight	211.13
10473088	Defined_Atom_Stereo_Count	3
76730	Exact_Mass	257.04365571
5281894	Mono_Isotopic_Weight	238.062994177
22737404	Defined_Atom_Stereo_Count	0
14022509	Total_Formal_Charge	0
93234	Hydrogen_Bond_Acceptor_Count	4
6436041	Covalent_Unit_Count	1
28315	Isotope_Atom_Count	0
5323927	Isotope_Atom_Count	0
54570042	Mono_Isotopic_Weight	97.089149355
86118188	Rotatable_Bond_Count	3
15988075	Hydrogen_Bond_Donor_Count	3
11926	Molecular_Weight	143.18
49765077	Mono_Isotopic_Weight	356.15584919
7567598	Mono_Isotopic_Weight	100.088815002
123691367	TPSA	20.2
3964633	Rotatable_Bond_Count	4
105101	Molecular_Weight	308.0
444013	Total_Formal_Charge	0
91749	Defined_Atom_Stereo_Count	0
6356	Total_Formal_Charge	0
12769	Defined_Atom_Stereo_Count	0
3093785	Non-hydrogen_Atom_Count	17
2933256	Covalent_Unit_Count	1
92258	Isotope_Atom_Count	0
68604	TPSA	78.3
90927	Isotope_Atom_Count	0
204506	Tautomer_Count	3
68129	Mono_Isotopic_Weight	112.016043985
66374	Covalent_Unit_Count	1
6252910	TPSA	195
3037456	XLogP3-AA	3.2
56841655	TPSA	275
10460	Undefined_Bond_Stereo_Count	1
11787	Structure_Complexity	160
91824751	Hydrogen_Bond_Acceptor_Count	7
2144	Defined_Bond_Stereo_Count	0
87380	Mono_Isotopic_Weight	240.133427172
69340949	Structure_Complexity	151
23311753	Undefined_Bond_Stereo_Count	0
7190	Non-hydrogen_Atom_Count	16
16133892	Exact_Mass	1700.1729741
18612333	Isotope_Atom_Count	0
11309477	Defined_Atom_Stereo_Count	0
23684677	Isotope_Atom_Count	0
10569	Undefined_Atom_Stereo_Count	0
11392	Covalent_Unit_Count	1
80660	TPSA	9.2
54502555	Defined_Bond_Stereo_Count	0
13364	Tautomer_Count	1
23462	Defined_Atom_Stereo_Count	1
70443535	Non-hydrogen_Atom_Count	12
85694	Mono_Isotopic_Weight	398.28209507
20493118	Undefined_Atom_Stereo_Count	2
2576	Structure_Complexity	281
20439251	Rotatable_Bond_Count	3
96386	Undefined_Bond_Stereo_Count	0
14577084	Rotatable_Bond_Count	0
44305779	Undefined_Bond_Stereo_Count	0
21699428	Molecular_Weight	109.13
122403016	Hydrogen_Bond_Acceptor_Count	97
616632	Isotope_Atom_Count	0
16683023	Undefined_Bond_Stereo_Count	0
13522	Rotatable_Bond_Count	8
404566	Rotatable_Bond_Count	5
6030	Exact_Mass	324.03586699
6918284	Non-hydrogen_Atom_Count	77
3722461	Total_Formal_Charge	0
2723787	Rotatable_Bond_Count	0
16854	Structure_Complexity	177
550668	Rotatable_Bond_Count	4
59899303	Defined_Atom_Stereo_Count	0
47462	Mono_Isotopic_Weight	334.9937240
15092989	Undefined_Bond_Stereo_Count	0
6538982	Rotatable_Bond_Count	11
63992	Defined_Atom_Stereo_Count	0
271	Exact_Mass	39.9625908
145068	TPSA	18.1
14241464	TPSA	42.5
23993	Defined_Bond_Stereo_Count	0
4223	Structure_Complexity	584
4641	Non-hydrogen_Atom_Count	24
10949861	Undefined_Bond_Stereo_Count	0
8176	Non-hydrogen_Atom_Count	11
85538	Rotatable_Bond_Count	5
424893	TPSA	128
197160	Covalent_Unit_Count	1
87844643	Structure_Complexity	76.1
10737	TPSA	20.3
6670	Mono_Isotopic_Weight	223.03031432
12938	Non-hydrogen_Atom_Count	25
22234	Hydrogen_Bond_Donor_Count	2
73707427	Structure_Complexity	688
85515	Mono_Isotopic_Weight	108.043596145
33722	Non-hydrogen_Atom_Count	7
5460037	Structure_Complexity	625
3958	Total_Formal_Charge	0
16679	Hydrogen_Bond_Donor_Count	0
70681602	Isotope_Atom_Count	0
79224	Defined_Bond_Stereo_Count	0
122724	Total_Formal_Charge	0
12723336	Total_Formal_Charge	0
89350	Defined_Atom_Stereo_Count	0
73355083	Mono_Isotopic_Weight	408.1153171
398513	Defined_Bond_Stereo_Count	0
15322	Mono_Isotopic_Weight	279.97490
513917	Undefined_Bond_Stereo_Count	0
146156882	Hydrogen_Bond_Acceptor_Count	26
21702770	XLogP3-AA	0.1
20483595	Isotope_Atom_Count	0
1437838	TPSA	37.4
69462939	Mono_Isotopic_Weight	112.063662883
152932	Exact_Mass	288.14380491
11949597	XLogP3-AA	1.5
74041115	TPSA	0
19690565	Total_Formal_Charge	0
1062	XLogP3-AA	5.3
15475284	Total_Formal_Charge	0
4962	XLogP3-AA	0.7
3000241	Isotope_Atom_Count	0
8286	TPSA	0
57136377	Structure_Complexity	62.7
5289518	Undefined_Bond_Stereo_Count	0
12524131	Molecular_Weight	110.15
16290686	Hydrogen_Bond_Donor_Count	3
3762	Undefined_Bond_Stereo_Count	0
35120	XLogP3-AA	5.6
243556	Hydrogen_Bond_Acceptor_Count	1
23695542	Hydrogen_Bond_Acceptor_Count	4
134767951	Defined_Atom_Stereo_Count	3
145705978	Non-hydrogen_Atom_Count	76
13002	Mono_Isotopic_Weight	72.021129366
87298	Structure_Complexity	124
58160574	Mono_Isotopic_Weight	527.23263824
21248212	Hydrogen_Bond_Donor_Count	0
149433	Rotatable_Bond_Count	1
72114	Isotope_Atom_Count	0
87074	Non-hydrogen_Atom_Count	8
17868	Isotope_Atom_Count	0
15113581	Exact_Mass	96.057514874
91460705	Exact_Mass	114.068079557
529197	Total_Formal_Charge	0
91003779	XLogP3-AA	1.1
9015	Molecular_Weight	124.14
115163	Undefined_Bond_Stereo_Count	0
5353439	Non-hydrogen_Atom_Count	43
2132	Hydrogen_Bond_Donor_Count	3
20515773	TPSA	46.3
893947	Hydrogen_Bond_Acceptor_Count	2
449035	Mono_Isotopic_Weight	299.12699141
436543	Exact_Mass	223.136099547
23685289	TPSA	58.4
57156265	Hydrogen_Bond_Acceptor_Count	1
146683214	Isotope_Atom_Count	0
14453670	Rotatable_Bond_Count	1
808817	Molecular_Weight	247.33
15276695	Mono_Isotopic_Weight	99.068413911
24848345	Defined_Atom_Stereo_Count	0
10391	Tautomer_Count	2
136231689	Covalent_Unit_Count	1
9845622	Hydrogen_Bond_Donor_Count	4
69578	Rotatable_Bond_Count	0
12102	Rotatable_Bond_Count	1
701038	Mono_Isotopic_Weight	318.00039
14946164	Hydrogen_Bond_Acceptor_Count	0
53357478	Covalent_Unit_Count	1
67045	Undefined_Atom_Stereo_Count	0
566685	Hydrogen_Bond_Donor_Count	0
44521019	Non-hydrogen_Atom_Count	30
13781592	Total_Formal_Charge	0
44454986	Hydrogen_Bond_Acceptor_Count	9
7065	XLogP3-AA	5.7
96251	Defined_Bond_Stereo_Count	0
2734172	Molecular_Weight	199.72
12581	Covalent_Unit_Count	1
37927	Undefined_Bond_Stereo_Count	0
201618	Structure_Complexity	176
62706165	Hydrogen_Bond_Donor_Count	3
11287722	Exact_Mass	232.10341969
5282109	TPSA	26.3
82755	Total_Formal_Charge	0
44201342	Hydrogen_Bond_Acceptor_Count	76
10572530	TPSA	91.8
23305129	Exact_Mass	904.44565070
68683	Covalent_Unit_Count	1
75211	Rotatable_Bond_Count	10
135398508	Tautomer_Count	9
543706	Mono_Isotopic_Weight	114.068079557
107647	Molecular_Weight	210.11
6918030	Defined_Bond_Stereo_Count	1
153974	Hydrogen_Bond_Acceptor_Count	5
53651707	Hydrogen_Bond_Acceptor_Count	3
24971342	Undefined_Bond_Stereo_Count	0
138471783	Defined_Bond_Stereo_Count	0
7861	Structure_Complexity	17.2
14297145	Non-hydrogen_Atom_Count	16
3034285	Hydrogen_Bond_Donor_Count	0
40703	Non-hydrogen_Atom_Count	33
102063302	Hydrogen_Bond_Acceptor_Count	2
7067897	Hydrogen_Bond_Donor_Count	6
8134	Non-hydrogen_Atom_Count	8
10125445	Undefined_Bond_Stereo_Count	0
71450704	Total_Formal_Charge	0
61098	Molecular_Weight	210.31
11777	Molecular_Weight	353.1
715513	Undefined_Bond_Stereo_Count	0
58308035	Defined_Atom_Stereo_Count	0
213049	Exact_Mass	465.13475634
13479278	Mono_Isotopic_Weight	95.073499291
23199904	Total_Formal_Charge	0
2723715	Defined_Atom_Stereo_Count	0
13207481	Defined_Bond_Stereo_Count	0
16536	Hydrogen_Bond_Acceptor_Count	2
9303	TPSA	118
67954811	Covalent_Unit_Count	1
126547509	TPSA	41.8
65013	Undefined_Bond_Stereo_Count	0
561488	Molecular_Weight	106.16
13586	Undefined_Bond_Stereo_Count	0
9568077	Non-hydrogen_Atom_Count	21
20723390	Defined_Atom_Stereo_Count	0
75606	TPSA	66.4
447945	Defined_Atom_Stereo_Count	1
501	Undefined_Atom_Stereo_Count	1
54582822	Undefined_Bond_Stereo_Count	0
2772687	Molecular_Weight	315.16
93535113	Non-hydrogen_Atom_Count	19
9723	Defined_Bond_Stereo_Count	0
91701304	Non-hydrogen_Atom_Count	7
54150876	Hydrogen_Bond_Acceptor_Count	3
73356082	Covalent_Unit_Count	1
102452877	Total_Formal_Charge	0
112553	Exact_Mass	168.115029749
637758	XLogP3	3
72703790	Isotope_Atom_Count	0
50309	Tautomer_Count	3
11725766	Hydrogen_Bond_Acceptor_Count	3
71916	Molecular_Weight	251.28
165363357	Defined_Atom_Stereo_Count	7
25244017	Defined_Bond_Stereo_Count	0
65374	Rotatable_Bond_Count	5
4657547	Tautomer_Count	1
12107	Exact_Mass	149.084063974
5462814	Hydrogen_Bond_Donor_Count	2
49862626	Defined_Atom_Stereo_Count	0
5301	Rotatable_Bond_Count	4
11571792	Hydrogen_Bond_Donor_Count	1
568084	Defined_Atom_Stereo_Count	0
5319	Rotatable_Bond_Count	3
10237241	Defined_Bond_Stereo_Count	0
2779031	Isotope_Atom_Count	0
20141332	Hydrogen_Bond_Donor_Count	1
57336812	Rotatable_Bond_Count	5
61664	Molecular_Weight	116.18
57074	XLogP3-AA	4.4
118177912	Structure_Complexity	98.2
59696370	Defined_Atom_Stereo_Count	0
54024247	TPSA	37.3
653145	Defined_Bond_Stereo_Count	0
112039	Tautomer_Count	5
11431811	Total_Formal_Charge	0
123165994	Defined_Atom_Stereo_Count	0
153274329	Undefined_Bond_Stereo_Count	0
115227	Covalent_Unit_Count	2
9955836	XLogP3-AA	0.7
161166	Isotope_Atom_Count	0
67873	TPSA	0
75252	Total_Formal_Charge	0
83679654	Hydrogen_Bond_Donor_Count	1
9856149	XLogP3-AA	5.2
85531465	Undefined_Bond_Stereo_Count	0
10096344	Isotope_Atom_Count	0
71833	Exact_Mass	243.0662210
6322	Mono_Isotopic_Weight	174.11167570
12363650	TPSA	55.4
5742673	Undefined_Bond_Stereo_Count	0
108	Defined_Atom_Stereo_Count	0
115268	Total_Formal_Charge	0
10206	Structure_Complexity	994
12664537	Total_Formal_Charge	0
55250378	Covalent_Unit_Count	1
10708	Tautomer_Count	1
12271363	Rotatable_Bond_Count	1
21464101	TPSA	29.1
25066467	Isotope_Atom_Count	0
53701416	Defined_Atom_Stereo_Count	0
11414	Mono_Isotopic_Weight	233.86798
11658860	Structure_Complexity	172
11945	Non-hydrogen_Atom_Count	13
133655777	Isotope_Atom_Count	0
656609	Undefined_Atom_Stereo_Count	0
139080230	Structure_Complexity	593
60662	Total_Formal_Charge	0
923480	Non-hydrogen_Atom_Count	20
118944	Non-hydrogen_Atom_Count	8
88007	Undefined_Atom_Stereo_Count	0
15567528	TPSA	41.1
25100740	Undefined_Atom_Stereo_Count	0
10555	Covalent_Unit_Count	1
8657	Mono_Isotopic_Weight	134.109550447
22624610	Exact_Mass	94.016712692
16211197	Exact_Mass	150.06405680
1293762	Undefined_Bond_Stereo_Count	0
44644	Undefined_Bond_Stereo_Count	0
67528035	Undefined_Atom_Stereo_Count	0
69301022	Isotope_Atom_Count	0
21698963	Hydrogen_Bond_Acceptor_Count	4
155143	Rotatable_Bond_Count	10
294864	Exact_Mass	104.047344113
73759663	Hydrogen_Bond_Donor_Count	2
8315	Hydrogen_Bond_Acceptor_Count	2
65495	Hydrogen_Bond_Donor_Count	1
36054	Structure_Complexity	163
70407330	Covalent_Unit_Count	1
25113157	Defined_Atom_Stereo_Count	2
89261068	Undefined_Atom_Stereo_Count	0
443131	XLogP3	3.3
54335228	Defined_Atom_Stereo_Count	0
6917941	Covalent_Unit_Count	3
13945	Defined_Bond_Stereo_Count	0
24857	Exact_Mass	222.01758
12507028	XLogP3-AA	1.4
24946802	Isotope_Atom_Count	0
12892785	Covalent_Unit_Count	1
22906680	Exact_Mass	109.052763847
16212959	Hydrogen_Bond_Acceptor_Count	6
6438560	Rotatable_Bond_Count	8
47304	Mono_Isotopic_Weight	258.173213330
6999971	Mono_Isotopic_Weight	114.02924926
24901348	Rotatable_Bond_Count	11
98170437	Molecular_Weight	342.30
358996	Defined_Bond_Stereo_Count	0
9425	Isotope_Atom_Count	0
137148307	Exact_Mass	231.01574069
56623654	Covalent_Unit_Count	1
58040	Undefined_Atom_Stereo_Count	1
5898	Defined_Bond_Stereo_Count	0
7020237	Defined_Atom_Stereo_Count	0
12260	Undefined_Atom_Stereo_Count	0
18510	Mono_Isotopic_Weight	226.193280068
159652940	Undefined_Atom_Stereo_Count	0
53828439	Defined_Bond_Stereo_Count	0
22486676	Non-hydrogen_Atom_Count	6
521355	Hydrogen_Bond_Acceptor_Count	1
70258	Exact_Mass	96.021129366
135349	Molecular_Weight	465.4
20240	Undefined_Atom_Stereo_Count	0
134694302	Defined_Bond_Stereo_Count	0
11953895	Mono_Isotopic_Weight	297.948962
86790	Molecular_Weight	250.31
3661	Total_Formal_Charge	0
657181	Defined_Bond_Stereo_Count	0
9886086	Exact_Mass	378.10718492
17818	Covalent_Unit_Count	1
10811	Defined_Atom_Stereo_Count	0
4914498	TPSA	20.2
1046	Rotatable_Bond_Count	1
54283855	Hydrogen_Bond_Donor_Count	2
445212	Defined_Atom_Stereo_Count	4
10391	Non-hydrogen_Atom_Count	13
7084	Structure_Complexity	512
25008593	Isotope_Atom_Count	0
151194	Hydrogen_Bond_Acceptor_Count	4
17506	Non-hydrogen_Atom_Count	17
57121306	Defined_Bond_Stereo_Count	0
5462501	Rotatable_Bond_Count	8
77378	Defined_Bond_Stereo_Count	0
11519741	Hydrogen_Bond_Acceptor_Count	7
22015773	Exact_Mass	144.068748264
6422	Defined_Bond_Stereo_Count	0
998021	Undefined_Bond_Stereo_Count	0
22934413	Isotope_Atom_Count	0
45086592	Mono_Isotopic_Weight	133.07389321
44134800	Exact_Mass	306.0627584
580481	Isotope_Atom_Count	0
5230729	Structure_Complexity	262
16220172	Isotope_Atom_Count	0
23712863	Hydrogen_Bond_Donor_Count	0
91756	Undefined_Atom_Stereo_Count	0
25780	Rotatable_Bond_Count	7
91740	Isotope_Atom_Count	0
26139	Undefined_Bond_Stereo_Count	0
77845	Defined_Atom_Stereo_Count	0
3068143	Structure_Complexity	679
46229348	Isotope_Atom_Count	0
5283305	Mono_Isotopic_Weight	240.245315640
5702214	Undefined_Bond_Stereo_Count	0
54726193	Defined_Bond_Stereo_Count	0
6850789	Undefined_Atom_Stereo_Count	0
3264	TPSA	52.6
62705687	Non-hydrogen_Atom_Count	33
9934458	Structure_Complexity	612
5786	XLogP3	3.4
9543528	Defined_Atom_Stereo_Count	2
5366074	Undefined_Bond_Stereo_Count	0
9958278	Mono_Isotopic_Weight	519.13517331
60769	Isotope_Atom_Count	0
10723	XLogP3-AA	1.8
67528035	Defined_Atom_Stereo_Count	0
130608736	Undefined_Atom_Stereo_Count	2
20253	Isotope_Atom_Count	0
100969894	Exact_Mass	116.083729621
3032396	Rotatable_Bond_Count	12
463365	Exact_Mass	522.28824308
627458	Undefined_Atom_Stereo_Count	0
83703	Defined_Atom_Stereo_Count	0
834	Defined_Atom_Stereo_Count	0
154106457	Hydrogen_Bond_Donor_Count	1
12441297	Mono_Isotopic_Weight	104.037448136
11073365	Isotope_Atom_Count	0
53784863	TPSA	30.5
6278	XLogP3-AA	2.4
610	TPSA	127
135972	Hydrogen_Bond_Donor_Count	0
25435	Defined_Atom_Stereo_Count	0
88365	Hydrogen_Bond_Donor_Count	0
73934	Mono_Isotopic_Weight	115.02335542
2336530	Defined_Atom_Stereo_Count	0
10867835	Total_Formal_Charge	0
737157	Molecular_Weight	193.16
71782	Defined_Bond_Stereo_Count	0
60651	Covalent_Unit_Count	1
6917715	Covalent_Unit_Count	1
133568445	Structure_Complexity	1370
18467387	Hydrogen_Bond_Donor_Count	2
9517	Molecular_Weight	208.25
53483390	Non-hydrogen_Atom_Count	37
46964	Hydrogen_Bond_Donor_Count	1
541123	Exact_Mass	380.19990218
76619	Defined_Bond_Stereo_Count	0
6386307	Undefined_Bond_Stereo_Count	0
58691	Defined_Bond_Stereo_Count	0
143061	Structure_Complexity	123
9164	Mono_Isotopic_Weight	278.109550447
41508	Undefined_Bond_Stereo_Count	0
10664	Defined_Bond_Stereo_Count	0
122442248	Defined_Atom_Stereo_Count	0
18281	Total_Formal_Charge	0
23690927	Covalent_Unit_Count	2
4471892	Hydrogen_Bond_Acceptor_Count	2
77611871	Rotatable_Bond_Count	1
689043	Total_Formal_Charge	0
59516092	Hydrogen_Bond_Donor_Count	2
69632	Defined_Bond_Stereo_Count	0
167232	Defined_Atom_Stereo_Count	0
10407503	Rotatable_Bond_Count	4
75800	Hydrogen_Bond_Acceptor_Count	3
24764418	Molecular_Weight	609.5
6398969	Hydrogen_Bond_Donor_Count	1
72210	XLogP3-AA	1.4
18372143	Undefined_Bond_Stereo_Count	0
67938294	Hydrogen_Bond_Acceptor_Count	2
23688976	Defined_Atom_Stereo_Count	0
154474487	Total_Formal_Charge	0
16759173	Isotope_Atom_Count	0
58714	Mono_Isotopic_Weight	197.116426730
71905	Hydrogen_Bond_Acceptor_Count	5
12956086	Undefined_Atom_Stereo_Count	0
15086	Hydrogen_Bond_Acceptor_Count	0
63036	Undefined_Bond_Stereo_Count	0
117859259	Exact_Mass	108.032362755
82711397	Molecular_Weight	118.13
67375395	Molecular_Weight	411.5
3036507	Hydrogen_Bond_Acceptor_Count	11
56988963	Exact_Mass	102.079312947
18352756	Defined_Bond_Stereo_Count	0
135430795	Molecular_Weight	491.18
25191018	Molecular_Weight	436.5
106	Molecular_Weight	185.07
121235738	Hydrogen_Bond_Acceptor_Count	7
44442027	Covalent_Unit_Count	1
11712649	Defined_Atom_Stereo_Count	0
51380890	Mono_Isotopic_Weight	275.0257161
29746	Exact_Mass	182.167065321
124602261	XLogP3-AA	1.5
54572926	Isotope_Atom_Count	0
140523	Covalent_Unit_Count	1
9917968	Tautomer_Count	1
13601826	Defined_Bond_Stereo_Count	0
44644	Defined_Atom_Stereo_Count	0
49855683	Undefined_Atom_Stereo_Count	0
443945	Non-hydrogen_Atom_Count	23
14925	Molecular_Weight	176.12
34327	Total_Formal_Charge	0
40846	Molecular_Weight	492.5
6433951	Tautomer_Count	3
6767	Molecular_Weight	350.4
444514	Isotope_Atom_Count	0
146743267	XLogP3-AA	1
35922	Undefined_Bond_Stereo_Count	0
3035405	Undefined_Atom_Stereo_Count	3
126514322	Covalent_Unit_Count	1
53302141	Structure_Complexity	84.1
98017	Total_Formal_Charge	0
13848132	Undefined_Atom_Stereo_Count	1
3033769	Non-hydrogen_Atom_Count	22
361610	Molecular_Weight	293.27
725300	Structure_Complexity	434
7220	Mono_Isotopic_Weight	119.048347172
486026	Covalent_Unit_Count	1
122874	Structure_Complexity	152
6608	Defined_Bond_Stereo_Count	0
918412	Defined_Bond_Stereo_Count	0
140181	Undefined_Bond_Stereo_Count	0
91434	Non-hydrogen_Atom_Count	21
138891	Undefined_Bond_Stereo_Count	0
9934347	Rotatable_Bond_Count	7
16759173	Defined_Bond_Stereo_Count	0
9797657	Hydrogen_Bond_Donor_Count	1
6409631	Covalent_Unit_Count	1
135487863	Exact_Mass	204.15862589
5151436	Undefined_Atom_Stereo_Count	1
44342925	Structure_Complexity	371
154511	Non-hydrogen_Atom_Count	17
31298	Total_Formal_Charge	0
20705517	Defined_Bond_Stereo_Count	0
38012	Undefined_Atom_Stereo_Count	0
15664	Molecular_Weight	184.24
67494396	TPSA	79.8
65376195	Defined_Bond_Stereo_Count	0
15184917	Hydrogen_Bond_Acceptor_Count	1
10132189	Defined_Bond_Stereo_Count	0
627458	Defined_Atom_Stereo_Count	0
85491	Covalent_Unit_Count	1
86	Non-hydrogen_Atom_Count	11
77676	Structure_Complexity	151
6364575	Mono_Isotopic_Weight	388.1706265
80715	Total_Formal_Charge	0
21700	Exact_Mass	520.2227812
92043261	Structure_Complexity	117
53394675	Isotope_Atom_Count	0
95187	Mono_Isotopic_Weight	149.07014524
5712574	Total_Formal_Charge	0
93002	Rotatable_Bond_Count	0
101838	Undefined_Atom_Stereo_Count	0
66414	TPSA	49.7
44305779	Defined_Atom_Stereo_Count	0
499953	Covalent_Unit_Count	1
6452481	Defined_Bond_Stereo_Count	0
11403482	Non-hydrogen_Atom_Count	20
9264	Exact_Mass	137.96316371
135408752	Mono_Isotopic_Weight	440.07905542
54169147	XLogP3-AA	0.1
58645448	TPSA	20.2
42471	Molecular_Weight	382.0
57656232	Rotatable_Bond_Count	1
62155	Hydrogen_Bond_Acceptor_Count	9
74080	Hydrogen_Bond_Acceptor_Count	2
6019	Isotope_Atom_Count	0
12162479	Undefined_Bond_Stereo_Count	0
97983	Mono_Isotopic_Weight	82.041864811
31386	XLogP3	2.4
87645235	Defined_Atom_Stereo_Count	0
12969	Non-hydrogen_Atom_Count	6
7016	XLogP3-AA	3.7
998021	Defined_Atom_Stereo_Count	0
17695	Hydrogen_Bond_Acceptor_Count	3
134695314	TPSA	172
36185	Undefined_Atom_Stereo_Count	0
688091	XLogP3-AA	0.7
21718901	XLogP3-AA	0.8
76198	Total_Formal_Charge	0
11697676	Hydrogen_Bond_Donor_Count	1
132777208	Mono_Isotopic_Weight	342.11621151
8515	Isotope_Atom_Count	0
69657541	Hydrogen_Bond_Donor_Count	0
25142172	XLogP3-AA	3
73093	Total_Formal_Charge	0
19089031	Structure_Complexity	41.4
5281120	Total_Formal_Charge	0
75460	Defined_Bond_Stereo_Count	0
130128864	Rotatable_Bond_Count	0
22318	Defined_Atom_Stereo_Count	0
26139	Defined_Atom_Stereo_Count	0
166718	Tautomer_Count	1
572086	XLogP3-AA	0.7
81836	Hydrogen_Bond_Donor_Count	0
21889100	Hydrogen_Bond_Acceptor_Count	4
307982	Hydrogen_Bond_Donor_Count	2
26934	Covalent_Unit_Count	1
138801	Mono_Isotopic_Weight	274.266051085
90192	Mono_Isotopic_Weight	534.17951205
53883934	Isotope_Atom_Count	0
79919	Covalent_Unit_Count	1
20172	Non-hydrogen_Atom_Count	30
31013	Defined_Atom_Stereo_Count	0
6739	Non-hydrogen_Atom_Count	11
22717642	Undefined_Bond_Stereo_Count	0
61347	Rotatable_Bond_Count	3
12713	TPSA	26.3
100524	Hydrogen_Bond_Acceptor_Count	6
13404	Mono_Isotopic_Weight	173.9639201
129761	Defined_Atom_Stereo_Count	0
10931381	Defined_Bond_Stereo_Count	0
90698789	Structure_Complexity	68
57483528	Defined_Bond_Stereo_Count	0
13889162	Defined_Bond_Stereo_Count	0
16722164	Total_Formal_Charge	0
91148	Exact_Mass	168.151415257
61059	Hydrogen_Bond_Donor_Count	2
60202105	Molecular_Weight	461.5
16130278	Covalent_Unit_Count	1
5122	Hydrogen_Bond_Acceptor_Count	3
23989	Exact_Mass	238.05079
8077	Hydrogen_Bond_Acceptor_Count	2
9793727	Molecular_Weight	112.13
20653386	Molecular_Weight	108.14
13691769	XLogP3-AA	1.1
129629038	Exact_Mass	181.06674293
68600	XLogP3-AA	3.7
67782238	Isotope_Atom_Count	0
48305	Total_Formal_Charge	0
12040508	Structure_Complexity	457
6432437	XLogP3-AA	1.2
6871216	Defined_Atom_Stereo_Count	0
8128	Hydrogen_Bond_Donor_Count	0
45344	TPSA	22.9
55004	Total_Formal_Charge	0
6613	Mono_Isotopic_Weight	219.11067264
130	Isotope_Atom_Count	0
153627081	Structure_Complexity	70.1
12514401	Covalent_Unit_Count	1
130411460	Defined_Bond_Stereo_Count	1
298	Isotope_Atom_Count	0
3336	TPSA	12
3417419	Undefined_Atom_Stereo_Count	0
543	Structure_Complexity	304
54404212	Covalent_Unit_Count	1
87367	Hydrogen_Bond_Acceptor_Count	5
66260	Hydrogen_Bond_Acceptor_Count	2
70580528	Rotatable_Bond_Count	2
14502695	Molecular_Weight	109.17
543	Hydrogen_Bond_Acceptor_Count	6
72187527	Hydrogen_Bond_Acceptor_Count	5
17132	Non-hydrogen_Atom_Count	13
8823	Defined_Atom_Stereo_Count	0
37983	Total_Formal_Charge	0
137018	XLogP3-AA	1.5
101838	Defined_Atom_Stereo_Count	0
123979022	Undefined_Bond_Stereo_Count	0
108381	Hydrogen_Bond_Donor_Count	2
8185	Rotatable_Bond_Count	9
53822827	Defined_Atom_Stereo_Count	0
42574	Rotatable_Bond_Count	4
746471	Rotatable_Bond_Count	3
13330488	Molecular_Weight	84.12
14810122	Structure_Complexity	109
10349	Rotatable_Bond_Count	3
447407	Mono_Isotopic_Weight	228.11100700
9914506	Structure_Complexity	730
6436057	Isotope_Atom_Count	0
22450295	Covalent_Unit_Count	1
59875983	Exact_Mass	100.052429494
16722120	TPSA	57.2
15568242	Rotatable_Bond_Count	1
121410806	Rotatable_Bond_Count	9
229932	Mono_Isotopic_Weight	96.032362755
3083444	TPSA	761
3533588	Defined_Bond_Stereo_Count	0
245005	TPSA	153
21092	Covalent_Unit_Count	1
137685	Molecular_Weight	112.17
45266540	Structure_Complexity	1470
26662	Hydrogen_Bond_Donor_Count	0
304265	Total_Formal_Charge	0
87868	Defined_Bond_Stereo_Count	0
3290	Exact_Mass	312.16601995
5284341	TPSA	26
7331	Mono_Isotopic_Weight	272.07970687
22990584	Undefined_Bond_Stereo_Count	0
21493122	Hydrogen_Bond_Donor_Count	1
6603901	Defined_Atom_Stereo_Count	0
23571381	Hydrogen_Bond_Donor_Count	1
148763531	Covalent_Unit_Count	1
3589	Rotatable_Bond_Count	0
7674	Tautomer_Count	1
102503760	Covalent_Unit_Count	1
49652	Non-hydrogen_Atom_Count	26
129696925	Mono_Isotopic_Weight	685.38356257
16220111	Undefined_Atom_Stereo_Count	0
2775641	Exact_Mass	114.068079557
12413939	Rotatable_Bond_Count	2
35768	Hydrogen_Bond_Acceptor_Count	0
12444627	Rotatable_Bond_Count	13
510	Structure_Complexity	248
137704662	Undefined_Bond_Stereo_Count	0
15644502	Isotope_Atom_Count	0
403821	Mono_Isotopic_Weight	301.08447515
799	Undefined_Bond_Stereo_Count	0
66906036	Undefined_Bond_Stereo_Count	0
22000495	Exact_Mass	101.047678466
1024	Tautomer_Count	9
21688635	Total_Formal_Charge	0
60150330	TPSA	63.3
59232326	Isotope_Atom_Count	0
121891	XLogP3-AA	3
19907834	Isotope_Atom_Count	0
81325	Non-hydrogen_Atom_Count	12
71709	Total_Formal_Charge	0
564980	Exact_Mass	177.090211983
11717001	Hydrogen_Bond_Acceptor_Count	5
86063	Molecular_Weight	183.16
39266	Tautomer_Count	1
5288453	Total_Formal_Charge	0
12203051	Defined_Bond_Stereo_Count	0
91429	Structure_Complexity	457
62389905	Molecular_Weight	99.17
85896	Rotatable_Bond_Count	3
527764	Defined_Atom_Stereo_Count	0
135951	Molecular_Weight	279.27
581206	Undefined_Atom_Stereo_Count	0
66708	Undefined_Bond_Stereo_Count	0
221122	Undefined_Atom_Stereo_Count	0
68490	Undefined_Atom_Stereo_Count	0
135415867	XLogP3-AA	4.4
23540330	Hydrogen_Bond_Acceptor_Count	2
11061	Hydrogen_Bond_Acceptor_Count	3
12351158	Non-hydrogen_Atom_Count	7
197942	Structure_Complexity	151
13346655	Hydrogen_Bond_Acceptor_Count	2
54550804	Exact_Mass	109.052763847
57448758	Hydrogen_Bond_Donor_Count	9
11635763	Isotope_Atom_Count	0
51668574	Hydrogen_Bond_Donor_Count	3
20034388	Molecular_Weight	89.14
9821945	Hydrogen_Bond_Acceptor_Count	4
9623	Defined_Atom_Stereo_Count	0
11861988	Exact_Mass	134.096974387
56626	Molecular_Weight	323.4
422478	Mono_Isotopic_Weight	119.073499291
133169	Mono_Isotopic_Weight	294.11033829
94684	TPSA	12.5
124225	Non-hydrogen_Atom_Count	24
6476564	Hydrogen_Bond_Donor_Count	5
171375	Defined_Bond_Stereo_Count	0
5651	Exact_Mass	1447.4301997
8875	Hydrogen_Bond_Acceptor_Count	5
47297	Isotope_Atom_Count	0
662960	Total_Formal_Charge	0
446947	Molecular_Weight	216.08
71306415	Undefined_Bond_Stereo_Count	0
13212923	Exact_Mass	99.104799419
6400	Undefined_Atom_Stereo_Count	0
9883029	Covalent_Unit_Count	1
973938	Defined_Bond_Stereo_Count	0
53464	Undefined_Bond_Stereo_Count	0
81981	Tautomer_Count	1
18622352	Rotatable_Bond_Count	1
7272	TPSA	52.6
2393	Molecular_Weight	1159.2
44561	Rotatable_Bond_Count	0
135518082	Covalent_Unit_Count	1
443041	XLogP3-AA	3.4
5035	Isotope_Atom_Count	0
10173277	Total_Formal_Charge	0
132781234	Undefined_Atom_Stereo_Count	0
5894	Structure_Complexity	364
14417887	Undefined_Bond_Stereo_Count	0
71007	Tautomer_Count	1
145025	Molecular_Weight	100.16
11115032	Defined_Bond_Stereo_Count	0
71652	Non-hydrogen_Atom_Count	23
11061169	Hydrogen_Bond_Acceptor_Count	5
84653	Mono_Isotopic_Weight	199.99388650
43146	Total_Formal_Charge	0
24779724	Structure_Complexity	494
8672	Undefined_Atom_Stereo_Count	0
10942338	XLogP3-AA	0.3
91827561	Hydrogen_Bond_Acceptor_Count	18
1696	Exact_Mass	202.08278087
13245713	Total_Formal_Charge	0
129710762	TPSA	59.1
6973656	Isotope_Atom_Count	0
6363	Covalent_Unit_Count	1
5172	Undefined_Bond_Stereo_Count	0
59221	Total_Formal_Charge	0
11250029	Mono_Isotopic_Weight	569.26381923
55472	Structure_Complexity	487
285033	Defined_Atom_Stereo_Count	4
53943526	Non-hydrogen_Atom_Count	7
88520001	XLogP3-AA	5.1
25185057	Exact_Mass	507.30184471
86583	Structure_Complexity	257
736858	Covalent_Unit_Count	1
82755	Tautomer_Count	18
129890070	Hydrogen_Bond_Donor_Count	0
54676825	Undefined_Atom_Stereo_Count	2
13976498	Molecular_Weight	94.15
91495606	Hydrogen_Bond_Donor_Count	0
60810	Defined_Bond_Stereo_Count	0
133561657	Total_Formal_Charge	0
46782362	Mono_Isotopic_Weight	446.13339966
362413	Total_Formal_Charge	0
6746	Total_Formal_Charge	0
71873	Tautomer_Count	1
536549	XLogP3-AA	1.3
133741	TPSA	52.6
14045176	Undefined_Atom_Stereo_Count	0
21405	XLogP3	1.5
680	Structure_Complexity	270
9934033	Undefined_Bond_Stereo_Count	0
92333	TPSA	99.4
118346510	Defined_Bond_Stereo_Count	0
72568	Structure_Complexity	322
91298647	Total_Formal_Charge	0
5335	Non-hydrogen_Atom_Count	22
66935111	Exact_Mass	101.084063974
656823	Isotope_Atom_Count	0
3856780	Structure_Complexity	417
10346039	Defined_Atom_Stereo_Count	7
19549	TPSA	38.3
11286483	Hydrogen_Bond_Acceptor_Count	2
13445117	Hydrogen_Bond_Acceptor_Count	2
70684	Rotatable_Bond_Count	2
24762	Undefined_Atom_Stereo_Count	0
54584708	XLogP3-AA	4.9
265	Molecular_Weight	837.6
13877	Structure_Complexity	102
7098630	Total_Formal_Charge	0
129876172	Exact_Mass	341.12632271
55752	Covalent_Unit_Count	1
12037	Mono_Isotopic_Weight	354.13617637
71459864	Defined_Atom_Stereo_Count	8
9793926	Undefined_Atom_Stereo_Count	0
10446567	Undefined_Atom_Stereo_Count	0
11503972	Exact_Mass	324.14739250
9554198	Undefined_Atom_Stereo_Count	2
46085	Defined_Bond_Stereo_Count	0
72207871	Covalent_Unit_Count	1
295042	Molecular_Weight	288.77
193846	Hydrogen_Bond_Donor_Count	6
5489029	Tautomer_Count	1
15787996	Hydrogen_Bond_Acceptor_Count	4
329	Hydrogen_Bond_Acceptor_Count	8
21879777	Covalent_Unit_Count	1
11688573	Hydrogen_Bond_Acceptor_Count	4
23676755	Total_Formal_Charge	0
31143	Mono_Isotopic_Weight	238.13174244
715	Undefined_Atom_Stereo_Count	4
6053	Defined_Bond_Stereo_Count	0
70523	Isotope_Atom_Count	0
42827	Defined_Bond_Stereo_Count	0
46853873	Defined_Atom_Stereo_Count	14
5353970	Hydrogen_Bond_Donor_Count	1
82736	Total_Formal_Charge	0
147126464	Structure_Complexity	117
135444498	Molecular_Weight	152.19
4463	Undefined_Atom_Stereo_Count	0
2801129	Total_Formal_Charge	0
9571009	Defined_Atom_Stereo_Count	0
688154	Defined_Atom_Stereo_Count	2
182176	Isotope_Atom_Count	0
11608582	Covalent_Unit_Count	1
131855729	Hydrogen_Bond_Acceptor_Count	1
2794833	Covalent_Unit_Count	1
7937	Rotatable_Bond_Count	0
19155	Mono_Isotopic_Weight	82.9983460
123867984	Rotatable_Bond_Count	1
484651	Defined_Atom_Stereo_Count	0
19349	Defined_Atom_Stereo_Count	0
89399997	Non-hydrogen_Atom_Count	8
121235738	Non-hydrogen_Atom_Count	14
5464262	Covalent_Unit_Count	4
135449284	Isotope_Atom_Count	0
7700	Non-hydrogen_Atom_Count	19
3714831	Non-hydrogen_Atom_Count	11
10377751	Mono_Isotopic_Weight	257.02589765
21991095	XLogP3-AA	0.7
441451	Total_Formal_Charge	0
152932	Undefined_Bond_Stereo_Count	0
123659755	Isotope_Atom_Count	0
7431	Undefined_Bond_Stereo_Count	0
71453747	Undefined_Atom_Stereo_Count	0
118024074	Hydrogen_Bond_Donor_Count	2
11478	Hydrogen_Bond_Acceptor_Count	7
22221737	Covalent_Unit_Count	2
2808988	Exact_Mass	311.12699141
160940	Molecular_Weight	298.72
252198	Defined_Bond_Stereo_Count	0
24874	Covalent_Unit_Count	1
64737	TPSA	32.3
5377410	Defined_Atom_Stereo_Count	0
818256	Defined_Bond_Stereo_Count	0
5736	Mono_Isotopic_Weight	331.0797631
69671	Total_Formal_Charge	0
162681	Exact_Mass	248.11494430
10962	Exact_Mass	183.97490
60200126	Undefined_Bond_Stereo_Count	0
8185	Hydrogen_Bond_Acceptor_Count	1
239071	Exact_Mass	252.08585488
5289501	Molecular_Weight	348.5
1264	Structure_Complexity	784
56487	TPSA	59.1
441289	Molecular_Weight	572.9
11698194	Covalent_Unit_Count	1
66708	Defined_Atom_Stereo_Count	0
721861	Defined_Atom_Stereo_Count	1
9870652	Undefined_Atom_Stereo_Count	0
68711	Rotatable_Bond_Count	14
71113	Rotatable_Bond_Count	5
24955	Tautomer_Count	3
67462100	Covalent_Unit_Count	1
23082568	Molecular_Weight	259.17
12110098	Rotatable_Bond_Count	2
10972974	XLogP3-AA	4.8
439503	Total_Formal_Charge	0
23533832	Isotope_Atom_Count	0
6321405	Hydrogen_Bond_Donor_Count	1
14417	Non-hydrogen_Atom_Count	26
57475	Hydrogen_Bond_Donor_Count	2
154101	Undefined_Bond_Stereo_Count	0
163994814	TPSA	59.4
16533	Molecular_Weight	476.6
9549179	Isotope_Atom_Count	0
5367706	XLogP3	4
442882	Covalent_Unit_Count	1
184819	Defined_Bond_Stereo_Count	0
78352	Molecular_Weight	483.0
82730	Isotope_Atom_Count	0
15629	Molecular_Weight	214.65
375912	Defined_Bond_Stereo_Count	0
65923	XLogP3-AA	2.7
12285866	Isotope_Atom_Count	1
2378	TPSA	17.8
9530	Molecular_Weight	204.24
104977	Mono_Isotopic_Weight	232.088815002
71142	Non-hydrogen_Atom_Count	28
5121	XLogP3	2.5
752646	TPSA	110
62773515	Rotatable_Bond_Count	1
10113	Hydrogen_Bond_Donor_Count	2
22418719	Total_Formal_Charge	0
10357919	Structure_Complexity	390
23450	Tautomer_Count	6
9395	Defined_Atom_Stereo_Count	0
81767	XLogP3-AA	0.4
15267570	Total_Formal_Charge	0
6419921	Tautomer_Count	1
24944555	Exact_Mass	480.30680535
21806052	XLogP3-AA	0.4
521863	Exact_Mass	120.00674260
689784	Covalent_Unit_Count	1
86277430	TPSA	86
139291703	Undefined_Atom_Stereo_Count	0
69267	Mono_Isotopic_Weight	153.042593085
82052	Hydrogen_Bond_Donor_Count	0
78609	Rotatable_Bond_Count	10
145742	Structure_Complexity	103
15122661	Undefined_Atom_Stereo_Count	1
3635	Undefined_Bond_Stereo_Count	0
58265178	Isotope_Atom_Count	0
57398258	Defined_Bond_Stereo_Count	0
83433	Molecular_Weight	556.7
162652	Non-hydrogen_Atom_Count	13
447213	Undefined_Atom_Stereo_Count	0
7196	Tautomer_Count	1
5815	Isotope_Atom_Count	0
16129620	TPSA	1470
10287037	Total_Formal_Charge	0
53477778	Mono_Isotopic_Weight	518.18602241
88133875	Hydrogen_Bond_Donor_Count	0
588	Structure_Complexity	151
7045654	Total_Formal_Charge	1
11906	XLogP3	3.2
6419962	Covalent_Unit_Count	2
2783279	TPSA	12.9
96201	Undefined_Atom_Stereo_Count	0
73185506	Isotope_Atom_Count	0
71454296	XLogP3-AA	2.7
12865500	Molecular_Weight	116.16
21118312	Isotope_Atom_Count	0
62280	Hydrogen_Bond_Donor_Count	5
25015	Defined_Bond_Stereo_Count	0
55289386	Defined_Atom_Stereo_Count	0
10208	Undefined_Bond_Stereo_Count	0
134694678	Mono_Isotopic_Weight	585.30501534
3440	Mono_Isotopic_Weight	330.0077203
54682651	Hydrogen_Bond_Donor_Count	1
5702220	Defined_Atom_Stereo_Count	0
59966628	Exact_Mass	416.32904526
71773962	Exact_Mass	363.1601214
169682	TPSA	94.6
522354	Isotope_Atom_Count	0
44946	Hydrogen_Bond_Acceptor_Count	2
60121	Isotope_Atom_Count	0
9870652	Defined_Atom_Stereo_Count	0
14842942	Undefined_Atom_Stereo_Count	0
79718	Non-hydrogen_Atom_Count	22
61664	Non-hydrogen_Atom_Count	7
126575987	Defined_Bond_Stereo_Count	0
70683091	Mono_Isotopic_Weight	488.21475861
9829419	Molecular_Weight	529.5
140732872	Defined_Atom_Stereo_Count	0
21096	Structure_Complexity	151
101525	Total_Formal_Charge	0
443391	XLogP3-AA	4.1
12597	Covalent_Unit_Count	1
13693091	Structure_Complexity	107
133562767	Rotatable_Bond_Count	18
98723	Undefined_Bond_Stereo_Count	0
44259	Hydrogen_Bond_Donor_Count	2
23083539	Defined_Atom_Stereo_Count	0
57399125	Defined_Bond_Stereo_Count	0
8736	Hydrogen_Bond_Donor_Count	1
56962215	TPSA	29.5
442021	TPSA	51.2
11374717	Hydrogen_Bond_Donor_Count	1
122767	Structure_Complexity	354
67643801	Defined_Bond_Stereo_Count	0
9868491	Tautomer_Count	1
18684078	Defined_Bond_Stereo_Count	1
73889	TPSA	41.1
7616	Molecular_Weight	143.27
51380890	Defined_Bond_Stereo_Count	0
13166770	Undefined_Bond_Stereo_Count	0
57992058	Hydrogen_Bond_Acceptor_Count	5
408714	Total_Formal_Charge	0
3962	Hydrogen_Bond_Donor_Count	1
251219	Undefined_Atom_Stereo_Count	1
46212	Structure_Complexity	523
20055397	Hydrogen_Bond_Acceptor_Count	5
26868	Molecular_Weight	535.5
11126361	XLogP3-AA	0.5
10219	TPSA	52.2
71463826	TPSA	60.7
19494	Hydrogen_Bond_Acceptor_Count	2
71306404	Structure_Complexity	14000
9934678	Non-hydrogen_Atom_Count	29
63016	Rotatable_Bond_Count	4
11008865	Defined_Atom_Stereo_Count	2
24891700	Molecular_Weight	427.5
5459811	Undefined_Atom_Stereo_Count	0
105426935	Non-hydrogen_Atom_Count	7
154416437	Rotatable_Bond_Count	0
6852393	Hydrogen_Bond_Donor_Count	0
98497	XLogP3-AA	1.9
87468661	Covalent_Unit_Count	1
45479680	Defined_Atom_Stereo_Count	0
5362417	Covalent_Unit_Count	1
91895934	Hydrogen_Bond_Donor_Count	5
59295974	Mono_Isotopic_Weight	581.1154122
5356392	Hydrogen_Bond_Acceptor_Count	16
447030	Undefined_Bond_Stereo_Count	0
6324103	Rotatable_Bond_Count	3
18755330	Exact_Mass	102.068079557
5288453	Isotope_Atom_Count	0
56668950	Covalent_Unit_Count	1
2344	Structure_Complexity	340
89317	Undefined_Atom_Stereo_Count	1
175533	Non-hydrogen_Atom_Count	34
25102937	Defined_Atom_Stereo_Count	1
54758035	Hydrogen_Bond_Donor_Count	1
154214	Isotope_Atom_Count	0
78255	Total_Formal_Charge	0
354785	Structure_Complexity	310
42602095	Undefined_Bond_Stereo_Count	0
706485	Rotatable_Bond_Count	3
15595455	Rotatable_Bond_Count	0
139088049	Covalent_Unit_Count	6
8081	Mono_Isotopic_Weight	90.031694049
13964915	Structure_Complexity	745
25474	Undefined_Atom_Stereo_Count	0
12186	Undefined_Atom_Stereo_Count	1
81540	Defined_Bond_Stereo_Count	0
5536	Isotope_Atom_Count	0
656580	Molecular_Weight	423.2
6517	Undefined_Bond_Stereo_Count	0
5067511	Rotatable_Bond_Count	1
68432538	Mono_Isotopic_Weight	100.052429494
101589314	Hydrogen_Bond_Acceptor_Count	4
2803172	Undefined_Bond_Stereo_Count	0
13861740	Non-hydrogen_Atom_Count	8
13652343	Mono_Isotopic_Weight	899.857932
18696583	Tautomer_Count	1
25897919	Tautomer_Count	1
2724279	Molecular_Weight	118.13
54403482	Structure_Complexity	107
34769	Total_Formal_Charge	0
54295724	Defined_Bond_Stereo_Count	0
67444	Undefined_Atom_Stereo_Count	0
13032	Total_Formal_Charge	0
10232719	TPSA	47.1
53851	Molecular_Weight	317.5
70003	Exact_Mass	160.088815002
987917	Exact_Mass	379.88706
52361	Rotatable_Bond_Count	7
70690618	Molecular_Weight	398.5
61249	Total_Formal_Charge	0
5865	Tautomer_Count	27
22238266	Hydrogen_Bond_Donor_Count	1
23519822	Hydrogen_Bond_Donor_Count	3
24802	TPSA	138
10992	Rotatable_Bond_Count	4
53952865	Defined_Atom_Stereo_Count	0
13293130	XLogP3-AA	0
87527569	Hydrogen_Bond_Acceptor_Count	4
23270355	XLogP3-AA	0.9
22843	Covalent_Unit_Count	1
46204403	TPSA	54.4
439240	Structure_Complexity	117
54110642	Exact_Mass	118.062994177
1051	Structure_Complexity	292
6572	Total_Formal_Charge	0
11084068	TPSA	20.2
2724123	Mono_Isotopic_Weight	111.068413911
60196384	Defined_Atom_Stereo_Count	0
94412	Defined_Atom_Stereo_Count	0
21443942	Covalent_Unit_Count	1
20820	Undefined_Atom_Stereo_Count	0
58195	Non-hydrogen_Atom_Count	26
53464	Undefined_Atom_Stereo_Count	0
5329	Rotatable_Bond_Count	3
24825264	Hydrogen_Bond_Acceptor_Count	7
15998	Hydrogen_Bond_Acceptor_Count	3
133561657	Structure_Complexity	1040
820	Undefined_Atom_Stereo_Count	24
50501	Defined_Bond_Stereo_Count	0
297777	Mono_Isotopic_Weight	413.18383758
56160	Exact_Mass	414.0400831
16218644	Defined_Atom_Stereo_Count	0
5491647	Isotope_Atom_Count	0
21470208	Hydrogen_Bond_Donor_Count	2
40466884	Hydrogen_Bond_Donor_Count	2
14475	Hydrogen_Bond_Acceptor_Count	2
135423770	Undefined_Bond_Stereo_Count	0
57485872	TPSA	63.3
102491	Molecular_Weight	158.24
21339024	Exact_Mass	97.089149355
112230	Undefined_Atom_Stereo_Count	0
44310721	XLogP3-AA	1.3
148119	Undefined_Bond_Stereo_Count	0
16119814	Undefined_Atom_Stereo_Count	0
23665763	Hydrogen_Bond_Donor_Count	1
6271	Defined_Bond_Stereo_Count	0
3693	Undefined_Bond_Stereo_Count	0
6914821	TPSA	67.4
56962215	Rotatable_Bond_Count	0
101771	Hydrogen_Bond_Donor_Count	2
692135	Defined_Atom_Stereo_Count	1
20849107	XLogP3	3.4
6915835	Tautomer_Count	1
1549018	Mono_Isotopic_Weight	164.120115130
70465919	Covalent_Unit_Count	1
21611	Defined_Atom_Stereo_Count	0
13350797	Defined_Bond_Stereo_Count	0
10102486	Total_Formal_Charge	2
59216333	Mono_Isotopic_Weight	111.043261792
37839	Non-hydrogen_Atom_Count	17
69497	Covalent_Unit_Count	1
34982	Hydrogen_Bond_Donor_Count	1
157849	Covalent_Unit_Count	1
70119	Mono_Isotopic_Weight	185.96803
15210994	Defined_Atom_Stereo_Count	0
16219784	Isotope_Atom_Count	0
118371793	Non-hydrogen_Atom_Count	8
74663	Isotope_Atom_Count	0
96701	Hydrogen_Bond_Donor_Count	1
5205	Exact_Mass	261.151749610
4459	Isotope_Atom_Count	0
260496	Undefined_Bond_Stereo_Count	0
87300	Hydrogen_Bond_Donor_Count	1
71584419	Rotatable_Bond_Count	5
227801	Molecular_Weight	224.30
688323	Exact_Mass	238.204513457
137184495	Undefined_Bond_Stereo_Count	0
3254	Mono_Isotopic_Weight	708.37209184
186100	Rotatable_Bond_Count	4
5311057	Undefined_Atom_Stereo_Count	0
133568445	Defined_Atom_Stereo_Count	18
22016574	Non-hydrogen_Atom_Count	7
57393451	Isotope_Atom_Count	0
53172	Undefined_Bond_Stereo_Count	0
11636326	Covalent_Unit_Count	1
5370664	Rotatable_Bond_Count	3
41958	Covalent_Unit_Count	1
64032	Covalent_Unit_Count	3
57390700	TPSA	156
55874	TPSA	119
86252	Hydrogen_Bond_Donor_Count	1
6917975	Structure_Complexity	1040
5283335	Non-hydrogen_Atom_Count	10
6858240	Undefined_Atom_Stereo_Count	0
57384040	Defined_Atom_Stereo_Count	0
68345	Covalent_Unit_Count	1
1549026	Rotatable_Bond_Count	6
51356843	Isotope_Atom_Count	0
54582513	TPSA	23.5
12313981	Undefined_Atom_Stereo_Count	0
18317	Undefined_Atom_Stereo_Count	1
11455910	Non-hydrogen_Atom_Count	41
72523	TPSA	12
55287682	Undefined_Bond_Stereo_Count	0
71750	Rotatable_Bond_Count	0
60196375	Molecular_Weight	587.7
53778	Isotope_Atom_Count	0
4886	TPSA	30.9
41787	Undefined_Bond_Stereo_Count	0
11029889	Covalent_Unit_Count	1
170563	Molecular_Weight	460.7
10486	Undefined_Bond_Stereo_Count	0
122173994	Molecular_Weight	287.4
22581391	XLogP3-AA	4
64328	Hydrogen_Bond_Acceptor_Count	2
91513	Undefined_Bond_Stereo_Count	0
38945	XLogP3	0.8
69359	Rotatable_Bond_Count	2
153751	Undefined_Atom_Stereo_Count	0
74255	Undefined_Bond_Stereo_Count	0
23725051	Undefined_Atom_Stereo_Count	1
145755	TPSA	77.8
60196405	Structure_Complexity	606
17884	Undefined_Bond_Stereo_Count	0
1363	Defined_Bond_Stereo_Count	0
80865	Hydrogen_Bond_Donor_Count	0
4141306	Structure_Complexity	381
15214552	Hydrogen_Bond_Acceptor_Count	2
453326	Undefined_Atom_Stereo_Count	0
521796	Hydrogen_Bond_Donor_Count	0
136237316	Hydrogen_Bond_Acceptor_Count	7
44134800	Covalent_Unit_Count	5
5362420	Hydrogen_Bond_Acceptor_Count	10
1374121	Non-hydrogen_Atom_Count	33
129711560	Undefined_Atom_Stereo_Count	4
23282942	Exact_Mass	98.084398327
59648875	Structure_Complexity	113
21322048	TPSA	17.1
10419143	Rotatable_Bond_Count	3
6914131	Undefined_Bond_Stereo_Count	0
57131946	Undefined_Bond_Stereo_Count	3
10997120	Defined_Atom_Stereo_Count	0
13034799	Isotope_Atom_Count	0
2690	Undefined_Atom_Stereo_Count	0
5702183	Exact_Mass	554.05420021
843960	Isotope_Atom_Count	0
12500500	Hydrogen_Bond_Acceptor_Count	2
439358	Defined_Bond_Stereo_Count	0
13816	Hydrogen_Bond_Donor_Count	2
11865437	Hydrogen_Bond_Donor_Count	8
71808	Structure_Complexity	147
23053647	Isotope_Atom_Count	0
14417887	Defined_Atom_Stereo_Count	0
61208	Hydrogen_Bond_Donor_Count	0
208880	TPSA	49.8
1064	Hydrogen_Bond_Acceptor_Count	6
1449	XLogP3	7.1
19748724	Defined_Atom_Stereo_Count	0
5459796	Undefined_Atom_Stereo_Count	0
40478	Hydrogen_Bond_Donor_Count	0
58208	Total_Formal_Charge	0
71434160	Rotatable_Bond_Count	6
11194160	XLogP3-AA	7.5
73072210	Isotope_Atom_Count	0
3174	Defined_Bond_Stereo_Count	0
9818540	TPSA	45.3
138125	Undefined_Bond_Stereo_Count	0
115763542	Rotatable_Bond_Count	1
5318386	XLogP3	1.8
14539800	Isotope_Atom_Count	0
9808844	Hydrogen_Bond_Donor_Count	2
90509	Defined_Atom_Stereo_Count	0
10700	Tautomer_Count	1
670	Defined_Atom_Stereo_Count	0
25315	Undefined_Bond_Stereo_Count	0
57082	Covalent_Unit_Count	1
72930	XLogP3	1.5
16043	Mono_Isotopic_Weight	166.099379685
131315862	Total_Formal_Charge	0
60011464	XLogP3-AA	2.5
21585139	Covalent_Unit_Count	2
76658	Structure_Complexity	192
6435378	Non-hydrogen_Atom_Count	26
12251	Tautomer_Count	1
7540	Defined_Bond_Stereo_Count	0
9930048	Defined_Atom_Stereo_Count	3
101513786	Defined_Bond_Stereo_Count	0
3797	Hydrogen_Bond_Donor_Count	0
8107	Non-hydrogen_Atom_Count	7
71397	Defined_Atom_Stereo_Count	0
13764	Molecular_Weight	275.22
9815576	TPSA	132
24765417	XLogP3-AA	2.4
79029	Undefined_Bond_Stereo_Count	0
153754883	Molecular_Weight	114.06
6580	Mono_Isotopic_Weight	92.9981414
44129647	Defined_Bond_Stereo_Count	0
10219402	Structure_Complexity	136
19782729	TPSA	43.1
71464628	TPSA	228
20239	Covalent_Unit_Count	1
23982	Exact_Mass	157.92411
89268685	Molecular_Weight	114.10
6918188	Mono_Isotopic_Weight	733.15140
23663985	Isotope_Atom_Count	0
54687772	Undefined_Bond_Stereo_Count	0
119098214	Molecular_Weight	98.14
56971	XLogP3-AA	1.5
88483174	Rotatable_Bond_Count	3
453326	Defined_Atom_Stereo_Count	0
89990880	Hydrogen_Bond_Acceptor_Count	12
10798	Hydrogen_Bond_Acceptor_Count	1
11584	Defined_Atom_Stereo_Count	0
129638019	Molecular_Weight	296.36
439524	Rotatable_Bond_Count	3
116864150	Structure_Complexity	107
80421	XLogP3-AA	0.6
54573150	Non-hydrogen_Atom_Count	8
146157141	TPSA	23.5
54964	Structure_Complexity	408
37020	Total_Formal_Charge	0
11672659	Defined_Atom_Stereo_Count	0
11954234	Undefined_Bond_Stereo_Count	0
834999	Molecular_Weight	285.23
21131860	Molecular_Weight	99.17
680429	Molecular_Weight	338.4
447994	Non-hydrogen_Atom_Count	30
5257437	Defined_Bond_Stereo_Count	0
55603	Defined_Bond_Stereo_Count	0
146461	Hydrogen_Bond_Donor_Count	1
67636	Undefined_Atom_Stereo_Count	0
156358	Defined_Atom_Stereo_Count	0
8752	Isotope_Atom_Count	0
53313171	Hydrogen_Bond_Donor_Count	1
121493662	Defined_Bond_Stereo_Count	1
44123456	Isotope_Atom_Count	0
139055434	Hydrogen_Bond_Acceptor_Count	13
69014	Undefined_Atom_Stereo_Count	0
21930924	Molecular_Weight	371.2
67656913	TPSA	20.2
98044763	Hydrogen_Bond_Acceptor_Count	5
56851705	Rotatable_Bond_Count	3
441278	Molecular_Weight	285.4
21365956	Molecular_Weight	281.31
657309	Isotope_Atom_Count	0
53320156	Covalent_Unit_Count	1
78882	Non-hydrogen_Atom_Count	12
6852128	Undefined_Atom_Stereo_Count	0
140152869	Mono_Isotopic_Weight	98.084398327
77781	Rotatable_Bond_Count	8
565593	Undefined_Atom_Stereo_Count	0
15496999	Covalent_Unit_Count	1
3647	Undefined_Bond_Stereo_Count	0
220820	Covalent_Unit_Count	1
137554722	Defined_Bond_Stereo_Count	0
235713	Isotope_Atom_Count	0
19006610	Exact_Mass	114.104465066
86389	Non-hydrogen_Atom_Count	26
76189844	Structure_Complexity	724
68624	Total_Formal_Charge	0
442972	XLogP3-AA	3.5
99050	Exact_Mass	325.215412493
10184774	TPSA	116
4526530	Isotope_Atom_Count	0
26421	Tautomer_Count	1
53317110	Non-hydrogen_Atom_Count	19
53555	Rotatable_Bond_Count	5
5282168	Molecular_Weight	466.4
29934831	Non-hydrogen_Atom_Count	29
133688117	Defined_Atom_Stereo_Count	4
1340	Covalent_Unit_Count	1
13807316	Exact_Mass	114.068079557
694876	Hydrogen_Bond_Acceptor_Count	3
24883860	Non-hydrogen_Atom_Count	156
20113	Tautomer_Count	1
441243	Undefined_Bond_Stereo_Count	0
10909503	Molecular_Weight	100.16
85673900	Defined_Atom_Stereo_Count	0
824060	Exact_Mass	267.06194637
37137	Isotope_Atom_Count	0
11953153	Exact_Mass	489.14110016
75184787	Exact_Mass	412.15691181
37713	Rotatable_Bond_Count	0
66251	Tautomer_Count	1
54178371	Rotatable_Bond_Count	1
13107533	Molecular_Weight	102.13
74517	Tautomer_Count	1
24917008	Exact_Mass	290.23313350
61444	TPSA	95.6
11029779	Non-hydrogen_Atom_Count	8
83872174	Rotatable_Bond_Count	1
27989	XLogP3-AA	0.1
24180686	Total_Formal_Charge	0
12289818	XLogP3-AA	0.2
135403657	Mono_Isotopic_Weight	522.00664561
1787910	Undefined_Bond_Stereo_Count	0
7092	Structure_Complexity	220
102552746	Molecular_Weight	416.6
65684	Structure_Complexity	241
20739	Molecular_Weight	142.24
534094	Non-hydrogen_Atom_Count	6
4255874	Defined_Atom_Stereo_Count	0
140951	Undefined_Atom_Stereo_Count	0
67520	Exact_Mass	81.032697108
53936618	Covalent_Unit_Count	1
9922708	Structure_Complexity	360
6710631	Rotatable_Bond_Count	1
586156	XLogP3-AA	0.1
24750	Undefined_Atom_Stereo_Count	0
44558883	Exact_Mass	1078.42704051
16773	Molecular_Weight	377.3
13496871	XLogP3-AA	0.7
744	Defined_Atom_Stereo_Count	0
131673820	Defined_Atom_Stereo_Count	12
90983133	Structure_Complexity	77.2
40030	Hydrogen_Bond_Acceptor_Count	3
51671	Structure_Complexity	637
11289630	Total_Formal_Charge	0
46184986	Covalent_Unit_Count	1
400189	Covalent_Unit_Count	1
60196333	Tautomer_Count	1
2811264	Exact_Mass	337.15904043
75317	Undefined_Atom_Stereo_Count	0
135399833	Hydrogen_Bond_Donor_Count	7
101165369	Structure_Complexity	415
73271	Hydrogen_Bond_Acceptor_Count	4
20194949	Undefined_Bond_Stereo_Count	0
65662	Exact_Mass	267.125928785
68226	Defined_Atom_Stereo_Count	0
91259187	Defined_Atom_Stereo_Count	0
135398627	Defined_Atom_Stereo_Count	9
14865900	Total_Formal_Charge	0
583337	Exact_Mass	177.078978594
123291798	Covalent_Unit_Count	1
96095	Non-hydrogen_Atom_Count	16
3971	Molecular_Weight	306.4
49296	Undefined_Bond_Stereo_Count	0
12873460	Tautomer_Count	28
5305	Non-hydrogen_Atom_Count	29
89785	Hydrogen_Bond_Acceptor_Count	3
16202184	Covalent_Unit_Count	1
21937642	Covalent_Unit_Count	1
426409	Undefined_Atom_Stereo_Count	1
839580	Molecular_Weight	308.3
2723631	Defined_Bond_Stereo_Count	0
1017	Defined_Bond_Stereo_Count	0
163792693	Undefined_Bond_Stereo_Count	0
29773	Total_Formal_Charge	0
1549103	Total_Formal_Charge	0
25010738	Non-hydrogen_Atom_Count	30
19044091	Undefined_Atom_Stereo_Count	0
191468	Non-hydrogen_Atom_Count	8
91378988	TPSA	44.7
6388	Covalent_Unit_Count	1
13176	Structure_Complexity	138
53867497	Structure_Complexity	99.7
154016567	Defined_Bond_Stereo_Count	0
124087	Covalent_Unit_Count	1
9884817	Undefined_Bond_Stereo_Count	0
2109	Defined_Bond_Stereo_Count	0
10039700	XLogP3-AA	0.8
163460608	Hydrogen_Bond_Acceptor_Count	1
12200	Tautomer_Count	1
58436	Molecular_Weight	278.39
23549397	Exact_Mass	114.104465066
54755438	XLogP3-AA	3
139593369	TPSA	289
92	Isotope_Atom_Count	0
53978942	XLogP3-AA	1.4
418940	Defined_Bond_Stereo_Count	0
22082539	Hydrogen_Bond_Donor_Count	0
3169	Hydrogen_Bond_Acceptor_Count	4
9461	Covalent_Unit_Count	1
5312108	Isotope_Atom_Count	0
20542	Total_Formal_Charge	0
71248	TPSA	91.9
17884104	Defined_Bond_Stereo_Count	0
4990	Hydrogen_Bond_Donor_Count	2
6918678	Undefined_Bond_Stereo_Count	0
11040632	Hydrogen_Bond_Donor_Count	0
5068775	Hydrogen_Bond_Acceptor_Count	2
10895	Non-hydrogen_Atom_Count	9
9875401	Isotope_Atom_Count	0
15875	Undefined_Bond_Stereo_Count	0
23681059	Rotatable_Bond_Count	3
14425	Non-hydrogen_Atom_Count	24
498430	Hydrogen_Bond_Acceptor_Count	2
98723	Defined_Atom_Stereo_Count	0
191519	Covalent_Unit_Count	1
2728077	Total_Formal_Charge	0
72266	Hydrogen_Bond_Acceptor_Count	8
46936995	Exact_Mass	246.05045443
70751	Isotope_Atom_Count	0
10496	Structure_Complexity	357
16219293	Mono_Isotopic_Weight	337.05488871
18899	Mono_Isotopic_Weight	205.110278721
176155	Mono_Isotopic_Weight	377.09981148
148763531	Exact_Mass	107.048347172
22563957	Mono_Isotopic_Weight	114.104465066
21180574	Tautomer_Count	5
54150876	Structure_Complexity	165
5059	Structure_Complexity	375
44413	Tautomer_Count	1
21784	Defined_Bond_Stereo_Count	0
318158	XLogP3-AA	1
11554076	Structure_Complexity	755
44560703	Defined_Atom_Stereo_Count	0
6850813	Structure_Complexity	237
143007	Defined_Bond_Stereo_Count	0
306862	XLogP3-AA	5.7
19601937	Isotope_Atom_Count	0
122449120	Hydrogen_Bond_Donor_Count	1
21634	Undefined_Bond_Stereo_Count	0
317681	Defined_Bond_Stereo_Count	0
122433	Total_Formal_Charge	0
56845949	Non-hydrogen_Atom_Count	6
129628181	Structure_Complexity	2340
7213685	Defined_Bond_Stereo_Count	0
12749134	Undefined_Bond_Stereo_Count	0
440966	Total_Formal_Charge	0
10975431	Rotatable_Bond_Count	1
3038481	Hydrogen_Bond_Acceptor_Count	11
117715670	Molecular_Weight	382.9
527855	TPSA	12.5
2734162	Defined_Bond_Stereo_Count	0
15025	Hydrogen_Bond_Acceptor_Count	14
25077993	Molecular_Weight	1323.5
94190	Defined_Bond_Stereo_Count	0
16760	Mono_Isotopic_Weight	254.0126017
53317131	Undefined_Bond_Stereo_Count	0
441261	Undefined_Atom_Stereo_Count	0
12452021	Mono_Isotopic_Weight	113.084063974
439468	Isotope_Atom_Count	0
595230	TPSA	53.1
54445181	Isotope_Atom_Count	1
47528	Covalent_Unit_Count	1
456058	Molecular_Weight	735.0
47649	Rotatable_Bond_Count	2
141350819	Structure_Complexity	107
70677	Mono_Isotopic_Weight	444.00685688
4414	Non-hydrogen_Atom_Count	29
11800	Defined_Bond_Stereo_Count	0
46926544	Molecular_Weight	380.4
12453	Undefined_Atom_Stereo_Count	0
92943	Covalent_Unit_Count	1
243274	Covalent_Unit_Count	1
188350	TPSA	132
12452686	Hydrogen_Bond_Acceptor_Count	2
195	Total_Formal_Charge	0
11197931	Rotatable_Bond_Count	1
19536	Hydrogen_Bond_Donor_Count	0
71562	Defined_Bond_Stereo_Count	0
82550	TPSA	29.1
446308	TPSA	36.9
44558536	Exact_Mass	373.1808568
3068840	Undefined_Bond_Stereo_Count	0
159374	Hydrogen_Bond_Donor_Count	0
4145140	TPSA	63.3
136195727	Covalent_Unit_Count	1
16682935	Defined_Atom_Stereo_Count	0
12248518	Hydrogen_Bond_Donor_Count	0
6733	Isotope_Atom_Count	0
82734	Isotope_Atom_Count	0
19049960	Non-hydrogen_Atom_Count	7
17652	Defined_Bond_Stereo_Count	0
20563296	Structure_Complexity	162
51003123	Structure_Complexity	740
649217	Non-hydrogen_Atom_Count	36
56659844	Mono_Isotopic_Weight	457.22262313
12561666	Hydrogen_Bond_Acceptor_Count	1
17792660	Mono_Isotopic_Weight	217.121512110
24891701	Rotatable_Bond_Count	5
60823	Total_Formal_Charge	0
47979	Molecular_Weight	383.5
94343	Hydrogen_Bond_Donor_Count	0
71157	Hydrogen_Bond_Acceptor_Count	2
6507267	Total_Formal_Charge	0
123348667	TPSA	20.3
7465	Undefined_Atom_Stereo_Count	0
1549107	Structure_Complexity	265
79476	Structure_Complexity	242
7428	Covalent_Unit_Count	1
85178	Defined_Bond_Stereo_Count	0
11313946	Hydrogen_Bond_Acceptor_Count	4
23349319	Molecular_Weight	116.11
2794666	TPSA	58.6
18794	Undefined_Atom_Stereo_Count	0
9457	Defined_Bond_Stereo_Count	0
91410	Undefined_Bond_Stereo_Count	0
23663412	Non-hydrogen_Atom_Count	41
88959077	Non-hydrogen_Atom_Count	8
10197668	Mono_Isotopic_Weight	117.078978594
10409873	Hydrogen_Bond_Acceptor_Count	7
65919	XLogP3-AA	0.5
136511	Molecular_Weight	108.14
589409	Defined_Atom_Stereo_Count	0
57416910	Hydrogen_Bond_Donor_Count	0
141366	Exact_Mass	91.042199164
3208	Isotope_Atom_Count	0
123611214	Mono_Isotopic_Weight	112.088815002
19754146	Structure_Complexity	245
6561	Hydrogen_Bond_Acceptor_Count	1
70652	Covalent_Unit_Count	1
20739	Mono_Isotopic_Weight	142.135765193
2735362	Undefined_Bond_Stereo_Count	0
23581832	Total_Formal_Charge	1
6918155	Defined_Bond_Stereo_Count	0
945	Defined_Atom_Stereo_Count	0
626738	Defined_Atom_Stereo_Count	0
16755636	Exact_Mass	63.998055901
19423644	Non-hydrogen_Atom_Count	7
6207	Undefined_Bond_Stereo_Count	0
12476687	Hydrogen_Bond_Donor_Count	0
104799	Exact_Mass	315.0750854
105709961	Isotope_Atom_Count	0
8150	Hydrogen_Bond_Acceptor_Count	3
32154	Defined_Bond_Stereo_Count	0
56840896	Structure_Complexity	492
21253562	Hydrogen_Bond_Donor_Count	1
118053313	Undefined_Atom_Stereo_Count	2
520217	Defined_Atom_Stereo_Count	0
11521070	TPSA	29.1
98810	XLogP3	0.2
565082	TPSA	40.5
10103118	Defined_Atom_Stereo_Count	0
13867380	Exact_Mass	113.00884817
11461044	Structure_Complexity	178
11646829	Defined_Bond_Stereo_Count	0
30690	Total_Formal_Charge	0
6438361	Exact_Mass	380.1058333
23418	Undefined_Atom_Stereo_Count	0
10997105	Undefined_Bond_Stereo_Count	0
129847163	Defined_Atom_Stereo_Count	8
220175	Hydrogen_Bond_Acceptor_Count	4
36020	Covalent_Unit_Count	1
38876	Structure_Complexity	233
22004078	Structure_Complexity	92.3
58137170	Hydrogen_Bond_Acceptor_Count	8
71237	Undefined_Atom_Stereo_Count	0
5743835	Hydrogen_Bond_Acceptor_Count	4
129654479	Hydrogen_Bond_Acceptor_Count	2
71267	Mono_Isotopic_Weight	260.188863393
23349	Undefined_Bond_Stereo_Count	0
55250	Total_Formal_Charge	0
65836	Isotope_Atom_Count	0
4413	TPSA	141
72200876	Hydrogen_Bond_Acceptor_Count	7
91826482	Hydrogen_Bond_Acceptor_Count	9
70235	Mono_Isotopic_Weight	98.073164938
3082393	Structure_Complexity	1250
720364	Structure_Complexity	560
198747	Covalent_Unit_Count	1
121397587	Non-hydrogen_Atom_Count	33
11332442	Defined_Bond_Stereo_Count	0
69722	XLogP3-AA	1.3
11355437	Non-hydrogen_Atom_Count	5
11291932	Covalent_Unit_Count	1
27422	Defined_Atom_Stereo_Count	0
159922	Molecular_Weight	112.06
520527	Defined_Bond_Stereo_Count	0
182	Non-hydrogen_Atom_Count	78
94948	Undefined_Atom_Stereo_Count	0
9839519	TPSA	55.8
18999023	Isotope_Atom_Count	0
124222212	Rotatable_Bond_Count	3
89162	Covalent_Unit_Count	2
14294923	Undefined_Atom_Stereo_Count	2
15909	Exact_Mass	146.073164938
24470	Isotope_Atom_Count	0
317053	Hydrogen_Bond_Acceptor_Count	2
25975	Rotatable_Bond_Count	0
56949327	Undefined_Bond_Stereo_Count	0
656892	Rotatable_Bond_Count	8
2774693	TPSA	58.2
11291	Total_Formal_Charge	0
85026	Total_Formal_Charge	1
15700781	Rotatable_Bond_Count	2
35367	Exact_Mass	112.125200510
226205	Covalent_Unit_Count	1
6328234	Hydrogen_Bond_Donor_Count	0
9888484	Hydrogen_Bond_Donor_Count	1
56949747	Rotatable_Bond_Count	3
5147	Total_Formal_Charge	0
439168	Exact_Mass	169.99802494
129694466	Molecular_Weight	952.4
123628273	Covalent_Unit_Count	1
996610	XLogP3-AA	3.4
8908	Defined_Bond_Stereo_Count	0
135887820	Mono_Isotopic_Weight	876.45207349
56020	TPSA	55.6
106757	XLogP3-AA	0.6
4634922	Mono_Isotopic_Weight	241.086469272
75197	Exact_Mass	256.08030146
22451318	Hydrogen_Bond_Acceptor_Count	2
7015191	TPSA	69.1
10592	Rotatable_Bond_Count	2
3686	Undefined_Bond_Stereo_Count	0
119096546	Hydrogen_Bond_Acceptor_Count	3
17963196	Total_Formal_Charge	0
2435	Tautomer_Count	4
18757414	Covalent_Unit_Count	1
5488638	Structure_Complexity	1790
13250495	Undefined_Bond_Stereo_Count	0
15982019	Molecular_Weight	481.5
9919816	Hydrogen_Bond_Acceptor_Count	11
6263	Rotatable_Bond_Count	2
141120290	Exact_Mass	110.011627311
86287524	TPSA	17.1
21100	Mono_Isotopic_Weight	197.10519334
1146	Structure_Complexity	8
122130	Tautomer_Count	12
1268111	Hydrogen_Bond_Acceptor_Count	4
5410	Mono_Isotopic_Weight	344.23514488
54760134	Structure_Complexity	683
13003479	Undefined_Atom_Stereo_Count	2
53319118	Exact_Mass	521.25258584
9983746	Defined_Atom_Stereo_Count	0
55752	Exact_Mass	440.22459745
5443	Non-hydrogen_Atom_Count	10
90722224	Covalent_Unit_Count	1
66572376	Exact_Mass	122.00376522
18179173	XLogP3-AA	0.6
16318	Mono_Isotopic_Weight	493.688527
57396150	Molecular_Weight	462.6
54980	Tautomer_Count	2
60165517	Mono_Isotopic_Weight	314.12644076
164563	Undefined_Atom_Stereo_Count	0
102351	Covalent_Unit_Count	1
7594067	Covalent_Unit_Count	1
171257	Undefined_Atom_Stereo_Count	0
75769	Covalent_Unit_Count	1
4617	Rotatable_Bond_Count	1
6359	Hydrogen_Bond_Acceptor_Count	0
1795	Undefined_Atom_Stereo_Count	0
62495	Undefined_Bond_Stereo_Count	0
19867655	Non-hydrogen_Atom_Count	8
65478	Defined_Bond_Stereo_Count	0
4168142	Rotatable_Bond_Count	8
13867124	Isotope_Atom_Count	0
11193842	Rotatable_Bond_Count	4
816	Covalent_Unit_Count	1
12774540	Molecular_Weight	98.14
101102794	TPSA	404
398743	TPSA	9.7
13584550	Defined_Atom_Stereo_Count	0
6015	Undefined_Atom_Stereo_Count	1
7048801	Structure_Complexity	139
80782	Hydrogen_Bond_Acceptor_Count	2
4369451	Rotatable_Bond_Count	3
78012803	Rotatable_Bond_Count	3
10979	Covalent_Unit_Count	1
137448	Hydrogen_Bond_Donor_Count	0
2724123	Defined_Atom_Stereo_Count	0
216324	Mono_Isotopic_Weight	371.00508323
179338	Molecular_Weight	512.1
15706803	Mono_Isotopic_Weight	116.120115130
46225290	Total_Formal_Charge	0
76223588	Total_Formal_Charge	0
77456	Rotatable_Bond_Count	0
25114553	XLogP3-AA	2.4
62525	Isotope_Atom_Count	0
51371732	Structure_Complexity	451
113606	Total_Formal_Charge	0
3033856	Molecular_Weight	320.42
10941	Mono_Isotopic_Weight	180.0221037
53378550	Undefined_Atom_Stereo_Count	0
13612132	Non-hydrogen_Atom_Count	8
18336916	Exact_Mass	97.089149355
8978	Undefined_Atom_Stereo_Count	0
88447703	Undefined_Atom_Stereo_Count	0
54929	Undefined_Bond_Stereo_Count	0
23682789	Exact_Mass	452.09440780
10437166	XLogP3-AA	4.3
220401	Defined_Bond_Stereo_Count	0
123268	Hydrogen_Bond_Acceptor_Count	2
129786694	Covalent_Unit_Count	1
227430	Non-hydrogen_Atom_Count	18
5485220	Defined_Atom_Stereo_Count	1
124220089	XLogP3-AA	5.1
11717831	Non-hydrogen_Atom_Count	27
69561	Mono_Isotopic_Weight	318.99083258
91701304	Mono_Isotopic_Weight	100.027277375
91589206	Covalent_Unit_Count	1
87605	Defined_Bond_Stereo_Count	0
65442	Tautomer_Count	1
2779183	Hydrogen_Bond_Acceptor_Count	1
23283001	Exact_Mass	108.093900383
118984450	Mono_Isotopic_Weight	5803.6376502
58801077	Molecular_Weight	113.16
37854	Hydrogen_Bond_Donor_Count	1
85456	Hydrogen_Bond_Acceptor_Count	6
38103	Undefined_Atom_Stereo_Count	0
227112	TPSA	74.6
10430619	Exact_Mass	392.19990218
53718834	Undefined_Atom_Stereo_Count	1
9839243	Molecular_Weight	298.4
31448	Rotatable_Bond_Count	1
15106	Total_Formal_Charge	0
87409	Undefined_Bond_Stereo_Count	0
72884	TPSA	58.2
49517	Rotatable_Bond_Count	18
3035240	Defined_Bond_Stereo_Count	0
54706138	Tautomer_Count	246
133562683	Isotope_Atom_Count	0
6450830	Hydrogen_Bond_Donor_Count	3
1140	Non-hydrogen_Atom_Count	7
19063360	Isotope_Atom_Count	0
5155	Non-hydrogen_Atom_Count	16
22416599	Defined_Atom_Stereo_Count	0
14852454	Covalent_Unit_Count	1
7288	Non-hydrogen_Atom_Count	6
16639	Non-hydrogen_Atom_Count	17
163050676	Defined_Atom_Stereo_Count	8
21331354	Non-hydrogen_Atom_Count	8
11194307	Undefined_Atom_Stereo_Count	1
5463081	TPSA	0
7018640	Mono_Isotopic_Weight	111.079647300
46239	Undefined_Bond_Stereo_Count	0
45073445	Structure_Complexity	545
44620953	Defined_Atom_Stereo_Count	20
2721	Undefined_Bond_Stereo_Count	1
3372016	Molecular_Weight	524.7
11696668	Defined_Bond_Stereo_Count	0
84647648	Mono_Isotopic_Weight	110.084398327
8333	Covalent_Unit_Count	1
134693946	TPSA	180
12755803	TPSA	9.2
520802	Tautomer_Count	1
599202	Exact_Mass	173.084063974
400189	Undefined_Atom_Stereo_Count	1
135761165	Hydrogen_Bond_Donor_Count	4
441278	Hydrogen_Bond_Donor_Count	1
38035	Mono_Isotopic_Weight	255.961333
65376195	Hydrogen_Bond_Acceptor_Count	1
54276448	XLogP3-AA	0.7
7732	Defined_Atom_Stereo_Count	0
5038	Defined_Atom_Stereo_Count	0
57400138	Undefined_Bond_Stereo_Count	0
8732	Rotatable_Bond_Count	4
9258	Defined_Atom_Stereo_Count	0
6708701	Undefined_Atom_Stereo_Count	2
91168430	Hydrogen_Bond_Acceptor_Count	2
26533	Isotope_Atom_Count	0
5464253	Molecular_Weight	357.35
50108	Tautomer_Count	1
65174649	Defined_Bond_Stereo_Count	0
2106909	Rotatable_Bond_Count	2
2160	Hydrogen_Bond_Acceptor_Count	1
317883	Total_Formal_Charge	0
135403648	Hydrogen_Bond_Donor_Count	7
3911	Covalent_Unit_Count	1
61511	Total_Formal_Charge	0
136603687	Molecular_Weight	116.08
14145	Total_Formal_Charge	0
12218833	Defined_Bond_Stereo_Count	0
5243	Molecular_Weight	437.4
774262	Undefined_Bond_Stereo_Count	0
19494	Undefined_Atom_Stereo_Count	0
36272	Hydrogen_Bond_Acceptor_Count	7
19734140	Covalent_Unit_Count	1
57160816	Defined_Bond_Stereo_Count	0
140143509	Defined_Bond_Stereo_Count	0
14909248	Total_Formal_Charge	0
5324279	TPSA	32.6
162883452	Rotatable_Bond_Count	6
36392	XLogP3	5
170286	Hydrogen_Bond_Acceptor_Count	9
3455	Total_Formal_Charge	0
105427022	Molecular_Weight	114.10
13466096	Total_Formal_Charge	0
220001	Molecular_Weight	164.16
71300410	Molecular_Weight	557.6
101616201	Defined_Bond_Stereo_Count	0
15541	Covalent_Unit_Count	1
11596660	Defined_Atom_Stereo_Count	0
129711468	Covalent_Unit_Count	1
251143	Rotatable_Bond_Count	1
5281810	Tautomer_Count	10
78422661	Isotope_Atom_Count	0
20283	Total_Formal_Charge	0
5281616	Total_Formal_Charge	0
5281116	Mono_Isotopic_Weight	338.318480578
439935	Hydrogen_Bond_Donor_Count	2
4946	Defined_Bond_Stereo_Count	0
535857	Hydrogen_Bond_Acceptor_Count	3
8141	Hydrogen_Bond_Acceptor_Count	0
9709	Mono_Isotopic_Weight	129.03900549
15239355	Mono_Isotopic_Weight	87.032028402
23665411	Undefined_Bond_Stereo_Count	0
118374185	TPSA	15.3
9464	Mono_Isotopic_Weight	203.074642105
22134406	Hydrogen_Bond_Acceptor_Count	3
54323318	Defined_Atom_Stereo_Count	0
54746	Undefined_Atom_Stereo_Count	0
44408641	Hydrogen_Bond_Donor_Count	2
23714994	Defined_Atom_Stereo_Count	0
321710	Undefined_Atom_Stereo_Count	0
131756	Covalent_Unit_Count	2
22352992	Non-hydrogen_Atom_Count	8
60196262	Defined_Atom_Stereo_Count	13
165857173	Undefined_Atom_Stereo_Count	1
31352	Exact_Mass	254.13655304
54580844	Undefined_Bond_Stereo_Count	0
59481545	Undefined_Atom_Stereo_Count	0
97469	Hydrogen_Bond_Acceptor_Count	2
46840946	Rotatable_Bond_Count	6
2816577	Undefined_Atom_Stereo_Count	0
7327	Undefined_Atom_Stereo_Count	0
34800	Hydrogen_Bond_Acceptor_Count	2
5718	Structure_Complexity	327
13860601	Isotope_Atom_Count	0
199543	Exact_Mass	108.021129366
45381907	Structure_Complexity	677
161965	Rotatable_Bond_Count	3
94317	TPSA	17.1
30544	Isotope_Atom_Count	0
46174097	XLogP3	0.6
3763	Non-hydrogen_Atom_Count	10
21789	XLogP3-AA	1.2
6818	Molecular_Weight	334.4
1201518	Molecular_Weight	154.25
70722	Defined_Atom_Stereo_Count	0
58801077	Rotatable_Bond_Count	0
7959	Covalent_Unit_Count	1
760006	Isotope_Atom_Count	0
67979331	Defined_Atom_Stereo_Count	0
84693	XLogP3-AA	1.6
164	Undefined_Bond_Stereo_Count	1
3073200	Covalent_Unit_Count	1
10159630	Mono_Isotopic_Weight	428.15835111
91769	Tautomer_Count	2
6918502	Molecular_Weight	499.6
9971484	Covalent_Unit_Count	1
57721	Rotatable_Bond_Count	13
21168	Defined_Atom_Stereo_Count	0
81850	Mono_Isotopic_Weight	198.0083718
18357	Undefined_Bond_Stereo_Count	0
170249	Total_Formal_Charge	0
142559332	Undefined_Bond_Stereo_Count	0
47544	TPSA	21.7
668531	Non-hydrogen_Atom_Count	19
136400	Non-hydrogen_Atom_Count	13
3085389	Rotatable_Bond_Count	6
91849037	TPSA	190
9286	Molecular_Weight	195.24
71456042	Non-hydrogen_Atom_Count	34
60	Exact_Mass	601.04750736
123243	Molecular_Weight	76.10
65820	Exact_Mass	499.27225866
3240	Undefined_Bond_Stereo_Count	0
30337	XLogP3-AA	0.6
13062961	Structure_Complexity	79.3
5053	Structure_Complexity	497
148931549	Total_Formal_Charge	0
60374	Undefined_Bond_Stereo_Count	0
2402	Non-hydrogen_Atom_Count	34
57483323	Undefined_Atom_Stereo_Count	1
95566291	Molecular_Weight	416.6
252139	TPSA	48.8
18687754	Defined_Bond_Stereo_Count	0
10975431	TPSA	20.2
60196379	TPSA	94.8
10898675	Defined_Atom_Stereo_Count	0
6926437	Hydrogen_Bond_Acceptor_Count	3
837924	Hydrogen_Bond_Acceptor_Count	3
5284614	Defined_Atom_Stereo_Count	0
897	Molecular_Weight	220.22
8854	XLogP3	0
59122	Undefined_Atom_Stereo_Count	0
14669	Rotatable_Bond_Count	4
106701	TPSA	26.3
550179	Undefined_Atom_Stereo_Count	0
40187	Undefined_Atom_Stereo_Count	2
41384	Undefined_Atom_Stereo_Count	0
25094903	Hydrogen_Bond_Donor_Count	3
16142	Rotatable_Bond_Count	2
3272524	Isotope_Atom_Count	0
123248674	Structure_Complexity	60.7
12281	Hydrogen_Bond_Donor_Count	1
3081743	Total_Formal_Charge	0
31215	Exact_Mass	166.07588133
15123308	Non-hydrogen_Atom_Count	20
18759351	XLogP3-AA	0.3
24721276	Hydrogen_Bond_Donor_Count	1
21940933	Molecular_Weight	606.1
10909908	Covalent_Unit_Count	1
25202562	Molecular_Weight	356.75
69188	Defined_Bond_Stereo_Count	0
16543	Rotatable_Bond_Count	0
53630039	Defined_Bond_Stereo_Count	0
54193461	Exact_Mass	85.052763847
14494973	Hydrogen_Bond_Donor_Count	0
13019073	Undefined_Bond_Stereo_Count	0
79067	Hydrogen_Bond_Donor_Count	2
232789	Non-hydrogen_Atom_Count	10
13582607	XLogP3-AA	0.4
23655	Hydrogen_Bond_Donor_Count	1
2863	Defined_Bond_Stereo_Count	0
86287525	Undefined_Bond_Stereo_Count	0
21989049	Isotope_Atom_Count	0
6433520	Molecular_Weight	289.33
10986185	Structure_Complexity	98.7
20334570	Rotatable_Bond_Count	2
21973793	Rotatable_Bond_Count	0
66494	TPSA	77.8
7075	Undefined_Atom_Stereo_Count	0
4993	Undefined_Atom_Stereo_Count	0
164912	Total_Formal_Charge	1
77849	Mono_Isotopic_Weight	147.079647300
9993573	Exact_Mass	276.02700259
20814133	Undefined_Bond_Stereo_Count	0
80265	TPSA	18.5
5372405	Defined_Bond_Stereo_Count	1
138397	Undefined_Atom_Stereo_Count	0
73835	Structure_Complexity	117
41332	TPSA	106
12275054	Total_Formal_Charge	0
23670774	Total_Formal_Charge	0
12310714	Undefined_Atom_Stereo_Count	1
418745	Mono_Isotopic_Weight	134.059246208
292	Mono_Isotopic_Weight	565.07100571
3980	Defined_Bond_Stereo_Count	0
171075	Isotope_Atom_Count	0
6427044	Undefined_Bond_Stereo_Count	0
18984521	Defined_Bond_Stereo_Count	0
87485	Exact_Mass	200.03813935
4943	Undefined_Bond_Stereo_Count	0
12266	TPSA	13.1
68678	Exact_Mass	287.0971445
11347670	Exact_Mass	317.152812238
3074943	Structure_Complexity	282
3527810	Hydrogen_Bond_Acceptor_Count	2
45270802	Exact_Mass	531.25088995
24451	Hydrogen_Bond_Donor_Count	2
14643175	Total_Formal_Charge	0
44480399	Total_Formal_Charge	0
67175581	Defined_Atom_Stereo_Count	0
13807316	Isotope_Atom_Count	0
135444614	Non-hydrogen_Atom_Count	26
13418379	Exact_Mass	112.100048391
119084740	Structure_Complexity	119
105056	Exact_Mass	277.14780704
622435	Defined_Bond_Stereo_Count	0
2666	Undefined_Bond_Stereo_Count	0
137699054	Structure_Complexity	107
73801102	Undefined_Bond_Stereo_Count	1
6132	Rotatable_Bond_Count	6
2766744	Exact_Mass	362.0200529
65776	Defined_Bond_Stereo_Count	0
25191018	Hydrogen_Bond_Donor_Count	2
31528	Isotope_Atom_Count	0
57404185	Hydrogen_Bond_Donor_Count	1
15757501	Undefined_Bond_Stereo_Count	0
54675769	XLogP3-AA	3.3
35754	Isotope_Atom_Count	0
14872976	Structure_Complexity	65.1
56662035	Defined_Atom_Stereo_Count	0
9029	Defined_Bond_Stereo_Count	0
13754	Molecular_Weight	288.28
59594973	Total_Formal_Charge	0
6436043	Rotatable_Bond_Count	5
638083	Covalent_Unit_Count	1
363272	Non-hydrogen_Atom_Count	23
2843	Non-hydrogen_Atom_Count	45
20475566	TPSA	9.2
23707296	Exact_Mass	337.05488871
28615	Defined_Atom_Stereo_Count	0
521207	Isotope_Atom_Count	0
8696	Molecular_Weight	345.34
49831411	Molecular_Weight	660.7
19604	Non-hydrogen_Atom_Count	18
12611534	Hydrogen_Bond_Donor_Count	1
3084338	Molecular_Weight	284.4
57164040	Molecular_Weight	645.7
442460	Non-hydrogen_Atom_Count	14
10407120	Total_Formal_Charge	0
67473	Hydrogen_Bond_Acceptor_Count	2
33791	Non-hydrogen_Atom_Count	14
12245594	Exact_Mass	92.062600255
52542	Total_Formal_Charge	0
6438130	Covalent_Unit_Count	2
5287958	Covalent_Unit_Count	1
54758307	Molecular_Weight	458.6
142566105	Defined_Atom_Stereo_Count	0
167195	Non-hydrogen_Atom_Count	1
53490	Non-hydrogen_Atom_Count	30
57394195	Exact_Mass	457.25294081
23554324	Exact_Mass	103.063328530
657202	TPSA	26.3
70610	XLogP3	0.5
3727	Covalent_Unit_Count	1
162955681	Non-hydrogen_Atom_Count	23
10308720	TPSA	89.6
26248	Non-hydrogen_Atom_Count	27
54217227	Defined_Bond_Stereo_Count	0
3219590	XLogP3-AA	2.9
11539751	Covalent_Unit_Count	1
67277	Structure_Complexity	450
5940153	Exact_Mass	203.058243149
12750	Molecular_Weight	83.13
72758	TPSA	41.5
21271257	Covalent_Unit_Count	1
14127	Isotope_Atom_Count	0
9903291	Molecular_Weight	259.31
122623	Isotope_Atom_Count	0
87089	Mono_Isotopic_Weight	290.153146591
136664419	Mono_Isotopic_Weight	528.21078060
140990	Exact_Mass	94.078250319
92020576	Covalent_Unit_Count	1
4366	Molecular_Weight	188.23
12632903	Isotope_Atom_Count	0
87535084	Covalent_Unit_Count	1
46934729	Hydrogen_Bond_Acceptor_Count	2
405012	Hydrogen_Bond_Acceptor_Count	3
20752353	Undefined_Bond_Stereo_Count	0
43471	Rotatable_Bond_Count	1
89578803	Undefined_Atom_Stereo_Count	3
721137	Mono_Isotopic_Weight	292.0502366
117846020	Isotope_Atom_Count	0
9945927	Rotatable_Bond_Count	5
24956	Rotatable_Bond_Count	0
8142	Hydrogen_Bond_Acceptor_Count	0
13299177	Structure_Complexity	111
77991	Rotatable_Bond_Count	5
15606	Undefined_Bond_Stereo_Count	0
79784	Undefined_Bond_Stereo_Count	0
5515	XLogP3-AA	0.5
4497	XLogP3	3.1
5779	Hydrogen_Bond_Acceptor_Count	5
41539	Hydrogen_Bond_Acceptor_Count	2
75806	Rotatable_Bond_Count	3
243556	Defined_Atom_Stereo_Count	0
6437358	Structure_Complexity	1210
3081420	TPSA	0
3048356	Mono_Isotopic_Weight	321.209264485
13207	Mono_Isotopic_Weight	126.104465066
131428459	Mono_Isotopic_Weight	97.052763847
18626413	Defined_Bond_Stereo_Count	0
84998	Total_Formal_Charge	0
101622923	Defined_Atom_Stereo_Count	0
650960	Covalent_Unit_Count	1
165339	Isotope_Atom_Count	0
18622	Molecular_Weight	238.28
21692	TPSA	56.3
43976	TPSA	67
129651092	Defined_Atom_Stereo_Count	1
11597697	Undefined_Atom_Stereo_Count	0
170231	Undefined_Atom_Stereo_Count	0
72111	Isotope_Atom_Count	0
398739	Molecular_Weight	337.34
58501	Exact_Mass	378.173213330
67979	Non-hydrogen_Atom_Count	11
11643846	Hydrogen_Bond_Donor_Count	5
129778798	Non-hydrogen_Atom_Count	8
182176	XLogP3	0.3
65960	Non-hydrogen_Atom_Count	18
4555	Rotatable_Bond_Count	5
2795222	XLogP3	0.3
7019016	Undefined_Atom_Stereo_Count	0
137319715	Defined_Bond_Stereo_Count	0
14489	Defined_Bond_Stereo_Count	0
9324	Rotatable_Bond_Count	3
11181	Exact_Mass	100.063662883
131204	TPSA	89.8
53442911	Total_Formal_Charge	0
9935	Isotope_Atom_Count	0
70697352	Total_Formal_Charge	0
150679	Molecular_Weight	270.25
4712993	Hydrogen_Bond_Donor_Count	0
29675	Structure_Complexity	591
14843146	Total_Formal_Charge	0
21875354	XLogP3-AA	4.4
101254312	Defined_Atom_Stereo_Count	5
73759759	Exact_Mass	908.38775915
62856	Non-hydrogen_Atom_Count	9
57514685	Hydrogen_Bond_Donor_Count	4
44395089	Exact_Mass	597.30635275
34332	Isotope_Atom_Count	0
53245830	Hydrogen_Bond_Acceptor_Count	3
25271892	Covalent_Unit_Count	1
67811115	Non-hydrogen_Atom_Count	8
5459124	Undefined_Bond_Stereo_Count	0
71450704	Exact_Mass	486.16853912
31297	Mono_Isotopic_Weight	113.9542282
3677	Tautomer_Count	1
6432	Hydrogen_Bond_Acceptor_Count	8
13930	Undefined_Bond_Stereo_Count	0
5280953	Covalent_Unit_Count	1
4178	Molecular_Weight	179.26
94153	Defined_Atom_Stereo_Count	0
549240	TPSA	21.9
79081	Molecular_Weight	99.17
119025724	Undefined_Bond_Stereo_Count	0
73782	XLogP3	2.9
527855	Isotope_Atom_Count	0
71460733	Hydrogen_Bond_Acceptor_Count	6
408285	Undefined_Atom_Stereo_Count	0
9568077	Exact_Mass	313.1193192
5496862	TPSA	117
3497012	Rotatable_Bond_Count	2
38779	Structure_Complexity	296
80277	Defined_Bond_Stereo_Count	0
92979	Defined_Bond_Stereo_Count	0
42070	Isotope_Atom_Count	0
768325	Structure_Complexity	269
64085466	Isotope_Atom_Count	0
53704432	Structure_Complexity	72.9
9688	Structure_Complexity	317
103015	Exact_Mass	302.17293854
266052	Defined_Bond_Stereo_Count	0
5289085	Undefined_Atom_Stereo_Count	0
53893761	Undefined_Bond_Stereo_Count	0
25674	Defined_Atom_Stereo_Count	1
136246379	Hydrogen_Bond_Donor_Count	3
774262	Undefined_Atom_Stereo_Count	0
61511	Hydrogen_Bond_Donor_Count	0
51504	Exact_Mass	356.2230560
98613	Tautomer_Count	2
644007	Exact_Mass	289.13140809
25051993	TPSA	53.7
3062280	Undefined_Bond_Stereo_Count	0
71987	Non-hydrogen_Atom_Count	18
461279	Defined_Bond_Stereo_Count	0
4329331	Non-hydrogen_Atom_Count	17
375912	Hydrogen_Bond_Acceptor_Count	1
21809017	Structure_Complexity	116
162839	Defined_Atom_Stereo_Count	0
1044	Undefined_Atom_Stereo_Count	0
12486323	Isotope_Atom_Count	0
2724640	Defined_Bond_Stereo_Count	0
11462536	TPSA	35.5
41432	Molecular_Weight	172.19
69168745	Undefined_Atom_Stereo_Count	0
5460613	Isotope_Atom_Count	0
491830	Structure_Complexity	472
9075	Mono_Isotopic_Weight	157.0658271
12711600	Structure_Complexity	72.9
10560335	Undefined_Bond_Stereo_Count	0
54521625	Molecular_Weight	112.13
2528	XLogP3-AA	1.9
10369242	Molecular_Weight	515.5
21779240	Undefined_Atom_Stereo_Count	0
10920542	Isotope_Atom_Count	0
133025	Molecular_Weight	228.20
92443	TPSA	75.6
164282	Covalent_Unit_Count	1
11083832	Covalent_Unit_Count	1
13757963	Defined_Bond_Stereo_Count	0
18398	Exact_Mass	114.068079557
685814	XLogP3-AA	1.6
159157	Exact_Mass	208.04054465
46879873	Defined_Bond_Stereo_Count	0
263	Mono_Isotopic_Weight	74.073164938
9547215	Defined_Atom_Stereo_Count	8
23674496	Rotatable_Bond_Count	6
25142313	Covalent_Unit_Count	1
16659681	Undefined_Bond_Stereo_Count	0
75112	Isotope_Atom_Count	0
11712649	Molecular_Weight	476.9
13848133	Structure_Complexity	72.1
59149763	Defined_Bond_Stereo_Count	0
76922	Isotope_Atom_Count	0
12870232	TPSA	20.2
2737168	Tautomer_Count	1
219081	Structure_Complexity	615
12431565	Hydrogen_Bond_Donor_Count	1
739236	Exact_Mass	239.131014166
69647192	Mono_Isotopic_Weight	113.047678466
4808	Defined_Bond_Stereo_Count	0
16541	Hydrogen_Bond_Acceptor_Count	2
119835	Structure_Complexity	506
6447131	Hydrogen_Bond_Donor_Count	2
137759	Molecular_Weight	161.20
651720	Defined_Atom_Stereo_Count	0
57235	Undefined_Bond_Stereo_Count	0
4822	Rotatable_Bond_Count	0
14457	Non-hydrogen_Atom_Count	15
129711468	Undefined_Atom_Stereo_Count	1
5282494	Isotope_Atom_Count	0
520301	Rotatable_Bond_Count	1
191510	Hydrogen_Bond_Acceptor_Count	2
163722493	Isotope_Atom_Count	0
172285	Isotope_Atom_Count	0
65370	Mono_Isotopic_Weight	563.28025714
92043128	Hydrogen_Bond_Acceptor_Count	13
76922	Hydrogen_Bond_Donor_Count	0
31677	Covalent_Unit_Count	1
23080912	Total_Formal_Charge	0
16693	Molecular_Weight	189.04
15432	TPSA	159
369219	Molecular_Weight	183.29
6257	Structure_Complexity	246
101050964	Undefined_Atom_Stereo_Count	2
94865125	Total_Formal_Charge	0
24756910	Covalent_Unit_Count	1
105031	Defined_Bond_Stereo_Count	0
2758725	Undefined_Bond_Stereo_Count	0
25273215	Exact_Mass	470.2322780
142559332	Undefined_Atom_Stereo_Count	0
143075695	Isotope_Atom_Count	0
441207	Isotope_Atom_Count	0
3447	Isotope_Atom_Count	0
16683028	Structure_Complexity	509
87664346	Total_Formal_Charge	0
62656	Mono_Isotopic_Weight	125.90349
594510	Exact_Mass	349.0861010
136784	Rotatable_Bond_Count	0
119196	Exact_Mass	595.20536087
10236	Undefined_Bond_Stereo_Count	0
102090452	Hydrogen_Bond_Acceptor_Count	18
4952	Tautomer_Count	25
62066	Covalent_Unit_Count	2
5065	Hydrogen_Bond_Acceptor_Count	11
22831357	Mono_Isotopic_Weight	154.135765193
16021	TPSA	20.2
20912	TPSA	23.8
18600	Non-hydrogen_Atom_Count	22
7261	XLogP3	0.1
6437850	Structure_Complexity	184
11023	Rotatable_Bond_Count	4
49806720	Covalent_Unit_Count	1
66327	Total_Formal_Charge	0
15030236	XLogP3-AA	2.6
16097729	Defined_Atom_Stereo_Count	0
31246	TPSA	17.1
56436	Rotatable_Bond_Count	5
160617	Isotope_Atom_Count	0
12590456	TPSA	29.1
10393	Non-hydrogen_Atom_Count	10
5359423	Total_Formal_Charge	0
5256574	Isotope_Atom_Count	0
53939339	TPSA	21.6
91635	Defined_Atom_Stereo_Count	0
9811834	Mono_Isotopic_Weight	411.20457303
3796640	Undefined_Bond_Stereo_Count	0
19815249	Defined_Atom_Stereo_Count	0
75341	Hydrogen_Bond_Donor_Count	1
3032572	Molecular_Weight	226.4
734215	XLogP3	4.4
41505	Structure_Complexity	314
21792545	Non-hydrogen_Atom_Count	17
741	TPSA	426
664126	Molecular_Weight	323.5
3830	Isotope_Atom_Count	0
5271566	Exact_Mass	172.07355886
72760	Undefined_Bond_Stereo_Count	0
439196	Mono_Isotopic_Weight	154.01222190
718	Isotope_Atom_Count	0
16049374	Mono_Isotopic_Weight	481.1260618
15816	Isotope_Atom_Count	0
24682	Rotatable_Bond_Count	0
21881641	Non-hydrogen_Atom_Count	58
20162	Total_Formal_Charge	0
43601	Mono_Isotopic_Weight	97.052763847
3988	TPSA	113
95162563	Non-hydrogen_Atom_Count	23
91759534	Molecular_Weight	225.02
43515	Tautomer_Count	12
23724819	Tautomer_Count	3
14040	Defined_Atom_Stereo_Count	0
2968	XLogP3-AA	3.9
22491624	Undefined_Atom_Stereo_Count	0
24742076	Defined_Bond_Stereo_Count	0
17754178	Molecular_Weight	160.28
8742	Undefined_Atom_Stereo_Count	0
12290023	Total_Formal_Charge	0
108312	Molecular_Weight	178.27
4707	Mono_Isotopic_Weight	329.02761
59736263	XLogP3-AA	0.6
12222	Tautomer_Count	1
743681	TPSA	116
5287792	Covalent_Unit_Count	1
165412951	Covalent_Unit_Count	1
78860	Total_Formal_Charge	0
24181320	Defined_Bond_Stereo_Count	0
6180	Rotatable_Bond_Count	5
316724	Isotope_Atom_Count	0
15980171	Hydrogen_Bond_Acceptor_Count	7
639661	Exact_Mass	84.093900383
153305234	Rotatable_Bond_Count	4
9919942	Rotatable_Bond_Count	28
1967	Rotatable_Bond_Count	6
5311104	Rotatable_Bond_Count	3
35805	Defined_Atom_Stereo_Count	2
80837	Hydrogen_Bond_Donor_Count	2
15541506	Undefined_Atom_Stereo_Count	0
46204457	Total_Formal_Charge	0
69640	Undefined_Bond_Stereo_Count	0
95102	Tautomer_Count	1
2973198	Isotope_Atom_Count	0
60202781	Mono_Isotopic_Weight	700.39751874
693946	Structure_Complexity	452
551434	Hydrogen_Bond_Acceptor_Count	2
7594067	Structure_Complexity	458
543207	Total_Formal_Charge	0
529212	Isotope_Atom_Count	0
16212360	Molecular_Weight	100.02
70301	Hydrogen_Bond_Donor_Count	2
12744661	Hydrogen_Bond_Acceptor_Count	1
79437	Defined_Atom_Stereo_Count	0
5920	Rotatable_Bond_Count	5
129826699	Defined_Bond_Stereo_Count	0
11269429	Mono_Isotopic_Weight	394.25079494
5488548	Hydrogen_Bond_Acceptor_Count	5
12512801	Rotatable_Bond_Count	0
9870785	Molecular_Weight	505.0
19927	Hydrogen_Bond_Acceptor_Count	1
6917698	Defined_Atom_Stereo_Count	2
20055397	Covalent_Unit_Count	1
4811	Mono_Isotopic_Weight	275.16337692
6439929	XLogP3-AA	3.9
141300213	Non-hydrogen_Atom_Count	8
193994	TPSA	33.6
11620576	Hydrogen_Bond_Donor_Count	3
72898	Undefined_Bond_Stereo_Count	0
15569631	Isotope_Atom_Count	0
4807	Total_Formal_Charge	0
44724350	TPSA	36.9
6514	TPSA	38.3
135400916	Undefined_Bond_Stereo_Count	0
669	Covalent_Unit_Count	1
5702160	Total_Formal_Charge	0
5324584	XLogP3-AA	1.4
14643618	Molecular_Weight	114.14
164073	Isotope_Atom_Count	0
22421116	Hydrogen_Bond_Acceptor_Count	1
204874	Total_Formal_Charge	0
96458	Defined_Bond_Stereo_Count	0
477	Undefined_Atom_Stereo_Count	4
69021	Non-hydrogen_Atom_Count	5
439248	Non-hydrogen_Atom_Count	56
69610	Mono_Isotopic_Weight	99.98895804
67374621	Covalent_Unit_Count	1
398700	Defined_Bond_Stereo_Count	0
160866	Structure_Complexity	107
135398627	Tautomer_Count	9
10162742	Structure_Complexity	686
19868	Isotope_Atom_Count	0
55290736	Isotope_Atom_Count	0
73513	Total_Formal_Charge	0
161760	Defined_Bond_Stereo_Count	0
153812233	Structure_Complexity	68.5
55284853	Structure_Complexity	88.2
18616819	XLogP3-AA	1
550922	Undefined_Bond_Stereo_Count	0
35729	Mono_Isotopic_Weight	183.0087061
131170	Defined_Bond_Stereo_Count	0
11974214	Non-hydrogen_Atom_Count	34
102258	Covalent_Unit_Count	1
84986	Structure_Complexity	219
22256270	Defined_Atom_Stereo_Count	0
2724103	Structure_Complexity	112
6419898	TPSA	195
44404643	Rotatable_Bond_Count	12
5353959	Mono_Isotopic_Weight	842.51400504
10357919	Hydrogen_Bond_Donor_Count	1
1146	Undefined_Bond_Stereo_Count	0
44224136	Mono_Isotopic_Weight	381.21647512
7701	Mono_Isotopic_Weight	261.245649993
14340	Defined_Bond_Stereo_Count	0
137705114	Defined_Atom_Stereo_Count	5
6445540	Isotope_Atom_Count	0
55290159	Exact_Mass	105.078978594
3548422	Tautomer_Count	1
443928	Mono_Isotopic_Weight	434.21046687
35717	Exact_Mass	221.08993720
89306	Exact_Mass	210.161979940
3165	Molecular_Weight	319.14
147895	Defined_Atom_Stereo_Count	11
20644244	Defined_Bond_Stereo_Count	0
251070	TPSA	52.6
23695767	Defined_Atom_Stereo_Count	3
92834	XLogP3-AA	2.5
413520	Defined_Atom_Stereo_Count	0
11226	Hydrogen_Bond_Donor_Count	1
2583	Defined_Atom_Stereo_Count	0
54266316	Hydrogen_Bond_Donor_Count	2
65510	Total_Formal_Charge	0
15982151	Mono_Isotopic_Weight	467.21686904
58489260	Undefined_Atom_Stereo_Count	2
88273595	Mono_Isotopic_Weight	116.058577502
11789157	Covalent_Unit_Count	1
53752206	Undefined_Bond_Stereo_Count	1
9571109	Exact_Mass	395.068258
963389	Defined_Atom_Stereo_Count	0
9844225	Covalent_Unit_Count	2
73695606	Hydrogen_Bond_Donor_Count	2
13037934	Undefined_Atom_Stereo_Count	2
9952884	Undefined_Atom_Stereo_Count	0
59844561	Molecular_Weight	547.6
54071	Tautomer_Count	2
21929	Molecular_Weight	237.64
35908	TPSA	41.6
55652	Mono_Isotopic_Weight	424.1684336
104150	XLogP3-AA	1.2
135539121	Mono_Isotopic_Weight	516.16787042
6800	Defined_Bond_Stereo_Count	0
63303	Total_Formal_Charge	1
13177193	Undefined_Bond_Stereo_Count	0
565855	Hydrogen_Bond_Acceptor_Count	3
59774	Defined_Bond_Stereo_Count	0
80884	Hydrogen_Bond_Donor_Count	7
3084667	Defined_Bond_Stereo_Count	0
118733511	Rotatable_Bond_Count	4
13460453	Undefined_Atom_Stereo_Count	2
39624	Hydrogen_Bond_Acceptor_Count	3
64685	Mono_Isotopic_Weight	154.135765193
96389	Total_Formal_Charge	0
6529	Hydrogen_Bond_Donor_Count	0
91604	Mono_Isotopic_Weight	210.161979940
10820489	Undefined_Bond_Stereo_Count	0
22649035	Isotope_Atom_Count	0
15309593	XLogP3-AA	1.2
18569	Covalent_Unit_Count	1
639420	Defined_Bond_Stereo_Count	0
638011	Defined_Atom_Stereo_Count	0
8434	Undefined_Bond_Stereo_Count	0
5284472	Covalent_Unit_Count	3
74802	Defined_Bond_Stereo_Count	0
20587905	Defined_Atom_Stereo_Count	0
9846339	Defined_Atom_Stereo_Count	0
441325	Hydrogen_Bond_Acceptor_Count	4
519186	Isotope_Atom_Count	0
64715	TPSA	72.8
43708	Isotope_Atom_Count	0
25167947	XLogP3-AA	4.7
75505	Defined_Atom_Stereo_Count	0
253298	Undefined_Atom_Stereo_Count	1
56841558	Molecular_Weight	1477.9
11108856	XLogP3-AA	2.5
137616	Defined_Bond_Stereo_Count	0
17004	TPSA	20.2
536643	Covalent_Unit_Count	1
45456	Molecular_Weight	291.5
154724068	Undefined_Bond_Stereo_Count	0
11078	TPSA	64.8
11832956	Rotatable_Bond_Count	0
445114	Undefined_Atom_Stereo_Count	0
7944	TPSA	9.2
124040753	Hydrogen_Bond_Acceptor_Count	6
16752772	Defined_Atom_Stereo_Count	0
9084	Molecular_Weight	102.05
91942	Hydrogen_Bond_Donor_Count	2
58436	Hydrogen_Bond_Donor_Count	1
5365327	Structure_Complexity	79.8
446157	Hydrogen_Bond_Donor_Count	3
8225	Non-hydrogen_Atom_Count	28
13696436	Undefined_Bond_Stereo_Count	0
91668	Molecular_Weight	370.5
14221107	Undefined_Atom_Stereo_Count	0
145	Rotatable_Bond_Count	5
7163	Undefined_Atom_Stereo_Count	0
98416	Mono_Isotopic_Weight	246.125594432
43838	Hydrogen_Bond_Acceptor_Count	3
11147714	Hydrogen_Bond_Donor_Count	0
72809410	Covalent_Unit_Count	1
56626	Hydrogen_Bond_Donor_Count	1
5280878	Structure_Complexity	706
12248518	Exact_Mass	116.083729621
56670034	Mono_Isotopic_Weight	453.20524173
56955180	Undefined_Bond_Stereo_Count	0
574489	Defined_Atom_Stereo_Count	0
88398	XLogP3-AA	1.1
228005	TPSA	0
76966485	Isotope_Atom_Count	0
21336418	Isotope_Atom_Count	0
829002	TPSA	35.6
57674785	Non-hydrogen_Atom_Count	8
22563961	Hydrogen_Bond_Acceptor_Count	1
23723057	Hydrogen_Bond_Acceptor_Count	5
19764725	Covalent_Unit_Count	1
135414420	Defined_Bond_Stereo_Count	0
5983	Hydrogen_Bond_Donor_Count	1
68711	Defined_Atom_Stereo_Count	0
54307121	Rotatable_Bond_Count	2
126569786	Structure_Complexity	2330
5360881	Total_Formal_Charge	0
439811	Defined_Atom_Stereo_Count	0
59059038	Hydrogen_Bond_Acceptor_Count	3
517030	Isotope_Atom_Count	0
16735405	Defined_Bond_Stereo_Count	0
58375	Exact_Mass	301.16779360
8437	Defined_Atom_Stereo_Count	0
57255355	TPSA	32.8
72200931	Exact_Mass	459.26813928
566455	Total_Formal_Charge	0
192004	Covalent_Unit_Count	3
5284556	XLogP3-AA	1.5
31738	Total_Formal_Charge	0
101875160	TPSA	32.3
73330464	TPSA	90
25093485	TPSA	79.4
447466	Mono_Isotopic_Weight	70.041864811
12550332	Non-hydrogen_Atom_Count	7
446987	Defined_Atom_Stereo_Count	2
62477	Covalent_Unit_Count	1
518964	Rotatable_Bond_Count	0
91886354	Rotatable_Bond_Count	0
21998678	Structure_Complexity	138
260809	Hydrogen_Bond_Acceptor_Count	3
45138674	Defined_Atom_Stereo_Count	1
10560335	Undefined_Atom_Stereo_Count	0
142243302	Isotope_Atom_Count	0
62956	Undefined_Atom_Stereo_Count	0
118975693	TPSA	29.1
2724552	Hydrogen_Bond_Donor_Count	5
398559	Hydrogen_Bond_Acceptor_Count	7
975767	Rotatable_Bond_Count	4
656580	Mono_Isotopic_Weight	422.0283709
3340152	Rotatable_Bond_Count	1
5352982	Molecular_Weight	254.41
18377	Covalent_Unit_Count	1
5173	Structure_Complexity	164
11240433	TPSA	49.8
6538995	TPSA	82.5
119828	XLogP3-AA	3.3
24361	XLogP3-AA	2.4
398661	Exact_Mass	291.18344366
135332658	Structure_Complexity	134
8117	Non-hydrogen_Atom_Count	7
9012	Hydrogen_Bond_Donor_Count	0
92876	Mono_Isotopic_Weight	291.1156697
88771736	Rotatable_Bond_Count	1
4342	Undefined_Atom_Stereo_Count	0
3045225	Molecular_Weight	243.30
9810771	Non-hydrogen_Atom_Count	49
232789	Exact_Mass	195.936181
59116084	Covalent_Unit_Count	1
11987858	Non-hydrogen_Atom_Count	7
20056626	Undefined_Atom_Stereo_Count	1
129194081	Total_Formal_Charge	0
9868580	Tautomer_Count	2
22812306	Covalent_Unit_Count	1
88091	TPSA	20.2
18314227	Mono_Isotopic_Weight	99.104799419
89274700	TPSA	49.8
22024915	Total_Formal_Charge	0
10113	Covalent_Unit_Count	1
70934	Mono_Isotopic_Weight	70.041864811
37865	Non-hydrogen_Atom_Count	21
25101755	Defined_Atom_Stereo_Count	0
38306	Rotatable_Bond_Count	1
16049026	Rotatable_Bond_Count	13
8351	Undefined_Atom_Stereo_Count	0
68703149	Defined_Bond_Stereo_Count	0
11672764	Total_Formal_Charge	0
521156	Isotope_Atom_Count	0
89580	Structure_Complexity	34.5
13809010	Rotatable_Bond_Count	1
14283	Non-hydrogen_Atom_Count	9
154518370	Undefined_Atom_Stereo_Count	0
162743	Undefined_Bond_Stereo_Count	0
23703990	Undefined_Bond_Stereo_Count	0
756	Undefined_Bond_Stereo_Count	0
55298881	Mono_Isotopic_Weight	101.084063974
9244	XLogP3-AA	0.8
145996610	Hydrogen_Bond_Donor_Count	4
78759292	Rotatable_Bond_Count	1
922	Defined_Bond_Stereo_Count	0
8377	Defined_Bond_Stereo_Count	0
60196435	Isotope_Atom_Count	0
11789176	Undefined_Bond_Stereo_Count	0
148191	Defined_Bond_Stereo_Count	0
129674572	Hydrogen_Bond_Acceptor_Count	3
720561	Structure_Complexity	183
64692	Undefined_Bond_Stereo_Count	0
12948	TPSA	129
55748	Defined_Bond_Stereo_Count	0
6957671	Covalent_Unit_Count	1
23667651	Non-hydrogen_Atom_Count	9
17344	Defined_Atom_Stereo_Count	0
423792	Hydrogen_Bond_Acceptor_Count	3
102249560	Rotatable_Bond_Count	2
12830793	Exact_Mass	114.104465066
594832	Structure_Complexity	193
21715653	Hydrogen_Bond_Donor_Count	0
21930923	TPSA	56.5
93536	XLogP3-AA	4.4
129317883	Covalent_Unit_Count	1
119097331	Non-hydrogen_Atom_Count	7
181887	TPSA	13.1
129396765	Isotope_Atom_Count	0
40523471	Defined_Bond_Stereo_Count	0
81242	Undefined_Bond_Stereo_Count	0
21049457	Defined_Bond_Stereo_Count	0
71225	Undefined_Atom_Stereo_Count	1
16639	Mono_Isotopic_Weight	232.121177757
81146	Hydrogen_Bond_Acceptor_Count	3
373077	Rotatable_Bond_Count	0
359778	Molecular_Weight	324.2
21417244	Covalent_Unit_Count	1
1804	Undefined_Atom_Stereo_Count	0
10909515	Rotatable_Bond_Count	1
101576	Hydrogen_Bond_Acceptor_Count	1
135554980	Exact_Mass	87.006876283
51397006	Non-hydrogen_Atom_Count	26
101611446	Defined_Atom_Stereo_Count	5
10337265	Covalent_Unit_Count	1
13707481	Undefined_Atom_Stereo_Count	0
476	Exact_Mass	228.03988975
5252031	Rotatable_Bond_Count	4
141037332	Molecular_Weight	93.13
6419807	Isotope_Atom_Count	0
154103	Hydrogen_Bond_Acceptor_Count	5
93706	XLogP3-AA	15.5
21492	Total_Formal_Charge	0
44629594	TPSA	98.3
343	Total_Formal_Charge	0
636401	Isotope_Atom_Count	0
9556529	Defined_Atom_Stereo_Count	0
3033953	Defined_Bond_Stereo_Count	0
154911	Isotope_Atom_Count	0
10325129	Undefined_Atom_Stereo_Count	1
12625	Rotatable_Bond_Count	1
31247	Mono_Isotopic_Weight	114.068079557
9566269	Hydrogen_Bond_Acceptor_Count	5
53935056	Non-hydrogen_Atom_Count	7
20798667	Hydrogen_Bond_Donor_Count	0
19884375	Rotatable_Bond_Count	3
87646	Rotatable_Bond_Count	1
100964856	XLogP3-AA	0.1
93032	TPSA	78.6
121489236	Defined_Bond_Stereo_Count	0
6437808	Undefined_Bond_Stereo_Count	0
5477635	Covalent_Unit_Count	1
107963	Isotope_Atom_Count	0
16220109	Mono_Isotopic_Weight	182.130679813
102102069	Rotatable_Bond_Count	2
1225	Isotope_Atom_Count	0
54422686	Molecular_Weight	103.12
14416477	Hydrogen_Bond_Acceptor_Count	7
24412	Hydrogen_Bond_Donor_Count	0
9048976	Covalent_Unit_Count	1
31279	Undefined_Atom_Stereo_Count	0
195	Hydrogen_Bond_Donor_Count	7
3744	Mono_Isotopic_Weight	189.078978594
60960	Covalent_Unit_Count	2
5311014	Molecular_Weight	1422.7
135391142	Covalent_Unit_Count	3
716315	Molecular_Weight	183.18
3566770	Structure_Complexity	54.3
29215	Isotope_Atom_Count	0
11316094	XLogP3-AA	2.4
3446	Undefined_Atom_Stereo_Count	0
17753992	Defined_Atom_Stereo_Count	3
3035044	Undefined_Atom_Stereo_Count	0
139291707	Exact_Mass	1137.4964
10942665	Undefined_Atom_Stereo_Count	0
13740443	Exact_Mass	83.037113783
31285	Non-hydrogen_Atom_Count	9
9817140	Hydrogen_Bond_Donor_Count	1
57235	Defined_Atom_Stereo_Count	0
400	Hydrogen_Bond_Donor_Count	1
730852	Defined_Bond_Stereo_Count	0
21870	Hydrogen_Bond_Acceptor_Count	2
23131983	Molecular_Weight	113.16
4096517	Hydrogen_Bond_Donor_Count	0
455733	Exact_Mass	262.168127949
18730080	XLogP3-AA	3
969108	Undefined_Bond_Stereo_Count	0
556685	Rotatable_Bond_Count	0
54130	Covalent_Unit_Count	1
87162901	Isotope_Atom_Count	0
49792792	Defined_Atom_Stereo_Count	0
11283	Undefined_Atom_Stereo_Count	0
24764	Defined_Atom_Stereo_Count	0
18728307	Structure_Complexity	77
102025584	Defined_Atom_Stereo_Count	10
12576852	Non-hydrogen_Atom_Count	8
456199	Undefined_Bond_Stereo_Count	0
10005402	Defined_Bond_Stereo_Count	0
166796	Rotatable_Bond_Count	5
14866	XLogP3	2.1
10276962	Covalent_Unit_Count	1
729	Total_Formal_Charge	0
65327	Mono_Isotopic_Weight	302.1549764
136203056	Isotope_Atom_Count	0
62332	Mono_Isotopic_Weight	242.094294304
11569967	Exact_Mass	451.24958677
2804	Non-hydrogen_Atom_Count	22
12933341	Undefined_Atom_Stereo_Count	0
58093	Molecular_Weight	217.10
65015	Undefined_Bond_Stereo_Count	0
76380	Exact_Mass	350.15180918
13422580	Mono_Isotopic_Weight	940.42049858
418296	Covalent_Unit_Count	1
10557	Non-hydrogen_Atom_Count	5
75320	Structure_Complexity	176
135027	Total_Formal_Charge	0
21885122	Rotatable_Bond_Count	4
184644	Exact_Mass	856.39266112
51038316	Tautomer_Count	9
70689351	Tautomer_Count	9
69779590	Non-hydrogen_Atom_Count	7
17835489	Rotatable_Bond_Count	1
32241	Covalent_Unit_Count	1
91585	Covalent_Unit_Count	1
53921527	Defined_Bond_Stereo_Count	0
22274879	Structure_Complexity	104
12352	TPSA	23.8
19080487	Defined_Atom_Stereo_Count	0
11112	Undefined_Bond_Stereo_Count	0
14671573	XLogP3-AA	1.8
134919	Undefined_Atom_Stereo_Count	0
9815326	Hydrogen_Bond_Acceptor_Count	4
212	Molecular_Weight	358.28
18359433	Total_Formal_Charge	0
150718	Rotatable_Bond_Count	2
5352435	Non-hydrogen_Atom_Count	14
12888377	Hydrogen_Bond_Donor_Count	0
6436135	Defined_Bond_Stereo_Count	1
12431566	Defined_Bond_Stereo_Count	0
7483	Defined_Atom_Stereo_Count	0
9967055	Undefined_Atom_Stereo_Count	0
6986	Covalent_Unit_Count	1
54298868	Defined_Atom_Stereo_Count	0
86210	Total_Formal_Charge	0
12367599	Covalent_Unit_Count	1
71116366	Mono_Isotopic_Weight	574.17985270
160243	Structure_Complexity	390
47932	Covalent_Unit_Count	3
520901	Undefined_Atom_Stereo_Count	0
1385	Structure_Complexity	495
64628	Structure_Complexity	813
119205	Isotope_Atom_Count	0
12248528	Mono_Isotopic_Weight	112.016043985
135409642	XLogP3-AA	4.9
26289	Hydrogen_Bond_Donor_Count	0
76988	Hydrogen_Bond_Acceptor_Count	1
23268532	Hydrogen_Bond_Donor_Count	2
141343693	Undefined_Bond_Stereo_Count	0
118855445	Non-hydrogen_Atom_Count	47
88534961	Total_Formal_Charge	0
3310	Molecular_Weight	588.6
541661	Mono_Isotopic_Weight	129.98369848
13694815	Isotope_Atom_Count	0
89261068	Molecular_Weight	114.15
28080	Isotope_Atom_Count	0
7066	Non-hydrogen_Atom_Count	18
160765	Undefined_Atom_Stereo_Count	0
908617	Covalent_Unit_Count	1
87560	Covalent_Unit_Count	1
642765	Isotope_Atom_Count	0
11815	Undefined_Atom_Stereo_Count	0
17994152	Mono_Isotopic_Weight	62.036779430
11236353	Exact_Mass	453.13584202
28207	Defined_Bond_Stereo_Count	0
10246505	Mono_Isotopic_Weight	338.11542367
5373729	Tautomer_Count	1
70685868	Defined_Bond_Stereo_Count	0
24752	Hydrogen_Bond_Donor_Count	1
1018	Hydrogen_Bond_Donor_Count	1
88358812	Isotope_Atom_Count	0
274418	Mono_Isotopic_Weight	124.052429494
535717	Molecular_Weight	99.13
22138511	Tautomer_Count	1
10750	Hydrogen_Bond_Donor_Count	4
16678045	TPSA	112
10138259	Hydrogen_Bond_Acceptor_Count	6
10631872	Isotope_Atom_Count	0
75644	Rotatable_Bond_Count	1
205970	Undefined_Atom_Stereo_Count	1
2299	Exact_Mass	477.17559883
138115739	Covalent_Unit_Count	4
573419	Isotope_Atom_Count	0
14791281	Covalent_Unit_Count	1
69135	Undefined_Bond_Stereo_Count	0
21417010	Defined_Bond_Stereo_Count	0
20774105	Structure_Complexity	122
18393	Structure_Complexity	51.9
138059742	Undefined_Bond_Stereo_Count	0
517985	Structure_Complexity	106
9917968	Hydrogen_Bond_Donor_Count	6
93227	Molecular_Weight	269.2
66282	Total_Formal_Charge	0
10339178	Isotope_Atom_Count	0
188414	Defined_Atom_Stereo_Count	0
446925	Molecular_Weight	536.9
5282409	Structure_Complexity	386
17997105	Non-hydrogen_Atom_Count	7
134587348	Exact_Mass	597.23450825
649230	Exact_Mass	424.16343649
11788287	Covalent_Unit_Count	1
5282421	Isotope_Atom_Count	0
95866	Isotope_Atom_Count	0
868031	Covalent_Unit_Count	1
57401296	Molecular_Weight	428.6
6326719	Defined_Atom_Stereo_Count	5
145768160	Hydrogen_Bond_Donor_Count	0
100959353	Rotatable_Bond_Count	7
21803	Structure_Complexity	278
11105314	XLogP3-AA	0.3
7170	Total_Formal_Charge	0
18502	TPSA	29.4
76973769	XLogP3-AA	2.5
93706	Tautomer_Count	1
25014762	TPSA	66
10820489	Undefined_Atom_Stereo_Count	0
6604914	Mono_Isotopic_Weight	309.1244046
87322	Hydrogen_Bond_Acceptor_Count	6
4101	TPSA	13
50983	Exact_Mass	401.042525
37393	Molecular_Weight	500.4
12271346	XLogP3-AA	1.3
78179	Exact_Mass	148.121177757
6509979	Exact_Mass	809.4480897
18446289	Structure_Complexity	105
12076	XLogP3	1.9
232446	XLogP3-AA	5.4
19259	Total_Formal_Charge	0
23440949	Defined_Atom_Stereo_Count	0
2783363	Undefined_Bond_Stereo_Count	0
10518	Structure_Complexity	406
24510	Covalent_Unit_Count	1
76538	Exact_Mass	337.941786
55290197	Hydrogen_Bond_Donor_Count	2
17864	Structure_Complexity	28.7
11409	Undefined_Atom_Stereo_Count	0
3025961	Defined_Atom_Stereo_Count	0
550922	Defined_Atom_Stereo_Count	0
533427	Isotope_Atom_Count	0
5311093	Covalent_Unit_Count	1
36673	XLogP3	4.5
130145407	Hydrogen_Bond_Donor_Count	1
452254	Rotatable_Bond_Count	3
11957721	Molecular_Weight	538.6
166585863	Defined_Atom_Stereo_Count	0
3738	Isotope_Atom_Count	0
5288631	XLogP3-AA	4.9
58221868	Hydrogen_Bond_Donor_Count	1
7659	Mono_Isotopic_Weight	252.115029749
17884	XLogP3-AA	3.4
67180	Molecular_Weight	73.09
6924	Hydrogen_Bond_Acceptor_Count	3
559009	Exact_Mass	100.088815002
22385728	Undefined_Bond_Stereo_Count	0
72142	Hydrogen_Bond_Acceptor_Count	4
242515	Tautomer_Count	1
517165	Undefined_Atom_Stereo_Count	0
67529	Defined_Atom_Stereo_Count	0
56841653	Hydrogen_Bond_Donor_Count	5
55329	Molecular_Weight	263.34
85538	Undefined_Atom_Stereo_Count	0
12450	Hydrogen_Bond_Donor_Count	0
351917	Isotope_Atom_Count	0
71209	XLogP3-AA	1.7
15474	Covalent_Unit_Count	2
64361	Structure_Complexity	460
5281521	Total_Formal_Charge	0
518455	Non-hydrogen_Atom_Count	8
93131	Structure_Complexity	146
1071	Undefined_Atom_Stereo_Count	0
67711	Structure_Complexity	56.4
1251	Defined_Atom_Stereo_Count	0
32924	Non-hydrogen_Atom_Count	11
6338	Tautomer_Count	1
58024981	TPSA	50.9
1102	Structure_Complexity	56.8
2801745	Total_Formal_Charge	0
170813	XLogP3	4.1
15016080	TPSA	48.9
20548476	Non-hydrogen_Atom_Count	7
54186	XLogP3-AA	3.5
21255244	Total_Formal_Charge	0
19604274	Mono_Isotopic_Weight	192.05349212
12766	Exact_Mass	128.120115130
198429	TPSA	163
25386	Defined_Bond_Stereo_Count	0
58125087	Undefined_Bond_Stereo_Count	0
25022354	Structure_Complexity	558
25110841	Mono_Isotopic_Weight	551.1291086
11063784	Isotope_Atom_Count	0
14228	Defined_Atom_Stereo_Count	0
13284157	Non-hydrogen_Atom_Count	8
11051583	Molecular_Weight	98.10
153939154	Mono_Isotopic_Weight	114.068079557
59772	Undefined_Atom_Stereo_Count	0
45357394	Undefined_Bond_Stereo_Count	0
5232423	XLogP3	4.7
801066	XLogP3-AA	3.6
16154789	XLogP3-AA	1.7
5289590	Isotope_Atom_Count	0
12242802	Hydrogen_Bond_Donor_Count	1
20725980	Rotatable_Bond_Count	26
151419	Covalent_Unit_Count	1
17455	Structure_Complexity	791
2724372	Molecular_Weight	294.4
13349549	Defined_Atom_Stereo_Count	0
153534619	Covalent_Unit_Count	1
18732	Exact_Mass	187.0530695
11750009	Rotatable_Bond_Count	5
522596	Isotope_Atom_Count	0
140334	Tautomer_Count	1
15301	Isotope_Atom_Count	0
9878679	Mono_Isotopic_Weight	275.07284784
60985	TPSA	26.3
66968933	TPSA	52.3
53145	Non-hydrogen_Atom_Count	6
31227	Mono_Isotopic_Weight	178.135765193
181977	Exact_Mass	164.01095860
135403630	Mono_Isotopic_Weight	247.10692467
219121	Tautomer_Count	10
24901349	Molecular_Weight	481.6
698	Hydrogen_Bond_Donor_Count	1
13284111	Defined_Atom_Stereo_Count	0
175	TPSA	40.1
11029	Mono_Isotopic_Weight	83.9697855
53734710	Molecular_Weight	61.06
69033681	Covalent_Unit_Count	1
15681692	Hydrogen_Bond_Acceptor_Count	2
5351457	Defined_Atom_Stereo_Count	0
167693	Molecular_Weight	114.22
75614	Defined_Bond_Stereo_Count	0
636345	Hydrogen_Bond_Acceptor_Count	26
75531	Non-hydrogen_Atom_Count	14
2995	Isotope_Atom_Count	0
90235	Exact_Mass	239.0461543
197839	Defined_Atom_Stereo_Count	0
66970	Defined_Bond_Stereo_Count	0
12433	Total_Formal_Charge	0
140066	Isotope_Atom_Count	0
1649	Rotatable_Bond_Count	0
12838	XLogP3-AA	0.8
37249	Non-hydrogen_Atom_Count	18
15748	XLogP3-AA	2.5
12922658	Undefined_Bond_Stereo_Count	0
12517392	Undefined_Atom_Stereo_Count	0
647120	Hydrogen_Bond_Acceptor_Count	5
56663314	Mono_Isotopic_Weight	511.1290284
135398638	Undefined_Bond_Stereo_Count	0
17564	Defined_Bond_Stereo_Count	0
89100	Defined_Atom_Stereo_Count	0
2734931	Defined_Atom_Stereo_Count	0
72851	Hydrogen_Bond_Acceptor_Count	1
21220	TPSA	137
84141	Exact_Mass	285.018806
398731	Defined_Bond_Stereo_Count	0
9807600	Exact_Mass	547.99053
135564847	Hydrogen_Bond_Donor_Count	8
263076	Covalent_Unit_Count	1
5330213	Rotatable_Bond_Count	5
82412	Exact_Mass	186.08920892
56972736	Isotope_Atom_Count	0
134692189	Undefined_Atom_Stereo_Count	6
24199313	Rotatable_Bond_Count	12
55011	Exact_Mass	200.01297080
23665583	Defined_Bond_Stereo_Count	1
65109	Exact_Mass	691.51520532
13613	Hydrogen_Bond_Acceptor_Count	3
53484290	Total_Formal_Charge	0
7021156	Covalent_Unit_Count	1
939	Exact_Mass	335.06442747
121396	Defined_Atom_Stereo_Count	1
142123799	Defined_Bond_Stereo_Count	0
20055121	Covalent_Unit_Count	1
75220691	Defined_Bond_Stereo_Count	0
78137800	Hydrogen_Bond_Acceptor_Count	2
54161810	Non-hydrogen_Atom_Count	7
1241420	Isotope_Atom_Count	0
23260879	Non-hydrogen_Atom_Count	8
8151	Exact_Mass	140.04081944
7621	Rotatable_Bond_Count	8
80690	Tautomer_Count	16
49862574	Rotatable_Bond_Count	7
149164152	Isotope_Atom_Count	0
10058531	Hydrogen_Bond_Donor_Count	2
10909508	Defined_Bond_Stereo_Count	0
71681471	Undefined_Bond_Stereo_Count	0
129867899	Defined_Bond_Stereo_Count	1
54175	Mono_Isotopic_Weight	345.1706861
2915	Molecular_Weight	152.3
6451325	Hydrogen_Bond_Donor_Count	5
135564847	Rotatable_Bond_Count	24
101813505	Defined_Atom_Stereo_Count	0
10498206	Isotope_Atom_Count	0
25271781	Defined_Bond_Stereo_Count	0
89990549	Molecular_Weight	103.12
54692246	Hydrogen_Bond_Acceptor_Count	5
81638	Hydrogen_Bond_Acceptor_Count	3
5912039	Defined_Bond_Stereo_Count	1
3251	Hydrogen_Bond_Acceptor_Count	6
3433	Molecular_Weight	260.25
25184541	Covalent_Unit_Count	1
6914285	Hydrogen_Bond_Donor_Count	3
60096125	Defined_Atom_Stereo_Count	0
16541	Undefined_Atom_Stereo_Count	0
705672	Molecular_Weight	348.4
160419	Rotatable_Bond_Count	1
10351178	Hydrogen_Bond_Donor_Count	2
139244568	Rotatable_Bond_Count	2
45359105	Molecular_Weight	306.37
9798496	Defined_Bond_Stereo_Count	1
4110039	Exact_Mass	132.00096561
34676239	Structure_Complexity	389
3766	TPSA	0
162990682	Exact_Mass	665.30474055
123413	Mono_Isotopic_Weight	114.104465066
12111	Isotope_Atom_Count	0
6335951	Undefined_Atom_Stereo_Count	0
12435	Defined_Bond_Stereo_Count	0
10820486	Total_Formal_Charge	0
46226173	Undefined_Bond_Stereo_Count	0
54573150	Structure_Complexity	137
51921894	Non-hydrogen_Atom_Count	23
72004	Defined_Atom_Stereo_Count	4
59503407	Molecular_Weight	193.16
6419957	Hydrogen_Bond_Donor_Count	30
10002900	XLogP3-AA	2.4
4385	Defined_Bond_Stereo_Count	0
154734173	Covalent_Unit_Count	1
21345781	Non-hydrogen_Atom_Count	6
25050	Defined_Bond_Stereo_Count	0
123385140	Hydrogen_Bond_Acceptor_Count	1
44208849	Rotatable_Bond_Count	4
61111	Exact_Mass	201.9375462
122415	Defined_Bond_Stereo_Count	0
6316	Isotope_Atom_Count	0
137278	Rotatable_Bond_Count	0
6977166	Hydrogen_Bond_Donor_Count	0
94310	Mono_Isotopic_Weight	234.161979940
10285778	Exact_Mass	99.068413911
2461	Covalent_Unit_Count	1
165437289	Defined_Bond_Stereo_Count	2
10898017	Isotope_Atom_Count	0
13492441	Mono_Isotopic_Weight	109.063997236
5008	Defined_Bond_Stereo_Count	0
54572793	Isotope_Atom_Count	0
9881504	Non-hydrogen_Atom_Count	19
97373	Isotope_Atom_Count	0
3859614	Isotope_Atom_Count	0
219625	Non-hydrogen_Atom_Count	8
6918537	Exact_Mass	303.19467705
853747	XLogP3-AA	2.6
7343	Structure_Complexity	105
9547928	XLogP3-AA	3.2
5062	Mono_Isotopic_Weight	420.14203234
13595226	Undefined_Atom_Stereo_Count	1
135492976	Rotatable_Bond_Count	1
91347456	Undefined_Bond_Stereo_Count	0
53317120	Defined_Bond_Stereo_Count	0
10934636	Exact_Mass	274.04773803
15461361	TPSA	26.3
439312	Molecular_Weight	180.16
547738	Undefined_Atom_Stereo_Count	1
72200849	Undefined_Atom_Stereo_Count	0
576026	Molecular_Weight	188.26
129099419	Mono_Isotopic_Weight	114.104465066
44291156	Total_Formal_Charge	0
232326	Undefined_Atom_Stereo_Count	0
91116427	Non-hydrogen_Atom_Count	7
7778	Tautomer_Count	1
6375	Structure_Complexity	27.5
24883445	Rotatable_Bond_Count	0
10813654	Defined_Atom_Stereo_Count	4
83151608	TPSA	20.2
59432048	Hydrogen_Bond_Acceptor_Count	4
143331072	Hydrogen_Bond_Donor_Count	0
5702049	Defined_Bond_Stereo_Count	0
60196418	XLogP3-AA	2.9
23064530	Undefined_Atom_Stereo_Count	0
18999022	Exact_Mass	99.104799419
20469	Non-hydrogen_Atom_Count	28
16135625	Exact_Mass	1410.67744153
15565266	Defined_Bond_Stereo_Count	0
83569	Rotatable_Bond_Count	3
13559279	Molecular_Weight	433.6
12308	TPSA	20.2
5284421	TPSA	26.3
38910	Rotatable_Bond_Count	2
14803	Molecular_Weight	77.978
58265196	Non-hydrogen_Atom_Count	12
662	TPSA	107
10256440	Hydrogen_Bond_Acceptor_Count	9
15174589	Covalent_Unit_Count	1
12053	Rotatable_Bond_Count	1
448803	Non-hydrogen_Atom_Count	32
53479	Structure_Complexity	199
9833652	Total_Formal_Charge	0
6324616	Structure_Complexity	1330
11562233	Defined_Atom_Stereo_Count	0
71739	Mono_Isotopic_Weight	298.168127949
11899	Hydrogen_Bond_Acceptor_Count	2
104940	Exact_Mass	338.07903816
443295	Total_Formal_Charge	0
9926586	Total_Formal_Charge	0
13253	Undefined_Bond_Stereo_Count	0
5364328	Molecular_Weight	79.10
3724	Undefined_Atom_Stereo_Count	4
64143	Molecular_Weight	567.8
12263	Covalent_Unit_Count	1
9425	Undefined_Bond_Stereo_Count	0
10427712	Structure_Complexity	483
46780884	Defined_Atom_Stereo_Count	0
5356785	Defined_Atom_Stereo_Count	0
18822	Total_Formal_Charge	0
68700720	Hydrogen_Bond_Acceptor_Count	3
726944	XLogP3-AA	1.1
40960	XLogP3	4.6
9297	Total_Formal_Charge	0
3482402	Covalent_Unit_Count	1
71460924	Total_Formal_Charge	0
10975431	Structure_Complexity	166
1457	Isotope_Atom_Count	0
139031529	XLogP3	0.7
14256301	Rotatable_Bond_Count	1
274426	Undefined_Atom_Stereo_Count	4
31224	Hydrogen_Bond_Donor_Count	0
132274874	Rotatable_Bond_Count	15
2406	Rotatable_Bond_Count	2
546996	Tautomer_Count	1
13884	Total_Formal_Charge	0
14584	Non-hydrogen_Atom_Count	16
58887274	Hydrogen_Bond_Donor_Count	1
12257272	Defined_Bond_Stereo_Count	0
22213349	Exact_Mass	102.079312947
53931	Defined_Bond_Stereo_Count	0
21997268	Undefined_Bond_Stereo_Count	0
84715993	Hydrogen_Bond_Donor_Count	1
90127662	Exact_Mass	112.088815002
70689350	Undefined_Atom_Stereo_Count	1
92272	TPSA	63.6
16161850	Non-hydrogen_Atom_Count	93
250451	Total_Formal_Charge	0
27124	Defined_Atom_Stereo_Count	0
11492	Exact_Mass	137.084063974
96281	Total_Formal_Charge	0
122534114	Undefined_Bond_Stereo_Count	0
143051390	Mono_Isotopic_Weight	99.068413911
89844	Molecular_Weight	558.0
162379291	Defined_Atom_Stereo_Count	0
630355	TPSA	40.5
135425186	TPSA	106
16212118	Defined_Bond_Stereo_Count	0
232326	Defined_Atom_Stereo_Count	0
24892761	Rotatable_Bond_Count	7
16211984	Non-hydrogen_Atom_Count	12
78422653	Covalent_Unit_Count	1
18736304	Hydrogen_Bond_Acceptor_Count	0
10471931	Undefined_Bond_Stereo_Count	0
38882	Hydrogen_Bond_Donor_Count	4
12373717	Mono_Isotopic_Weight	114.068079557
24780352	Defined_Bond_Stereo_Count	0
12309520	Rotatable_Bond_Count	4
11062343	Covalent_Unit_Count	1
62143	Undefined_Atom_Stereo_Count	0
13814	XLogP3-AA	3.1
101445	Undefined_Atom_Stereo_Count	0
53	Isotope_Atom_Count	0
73303	Exact_Mass	420.11372685
9797055	Defined_Bond_Stereo_Count	0
529277	Hydrogen_Bond_Donor_Count	0
62510	XLogP3-AA	1.8
24678	Undefined_Bond_Stereo_Count	0
439517	Undefined_Bond_Stereo_Count	0
142906448	Covalent_Unit_Count	1
12594991	Non-hydrogen_Atom_Count	6
599	Isotope_Atom_Count	0
3653	Undefined_Bond_Stereo_Count	0
78099560	Mono_Isotopic_Weight	462.1686514
5365371	Mono_Isotopic_Weight	337.334464995
856278	Undefined_Atom_Stereo_Count	0
20336979	Covalent_Unit_Count	1
46557	Exact_Mass	364.06478
11673085	Hydrogen_Bond_Donor_Count	2
10798	Defined_Atom_Stereo_Count	0
11281011	Defined_Bond_Stereo_Count	0
13459667	Undefined_Atom_Stereo_Count	1
67810472	Non-hydrogen_Atom_Count	23
118	Molecular_Weight	87.12
101082	Defined_Bond_Stereo_Count	0
93480	Isotope_Atom_Count	0
85446057	Non-hydrogen_Atom_Count	7
118705472	Rotatable_Bond_Count	5
44565779	Molecular_Weight	302.37
11525116	Hydrogen_Bond_Donor_Count	2
19594968	Molecular_Weight	72.11
124226574	Defined_Bond_Stereo_Count	5
87527	Hydrogen_Bond_Donor_Count	1
75605138	Rotatable_Bond_Count	6
6427044	Structure_Complexity	2070
25008249	Rotatable_Bond_Count	8
16122553	Covalent_Unit_Count	1
89875063	Total_Formal_Charge	0
57035514	Mono_Isotopic_Weight	112.063662883
6426742	Hydrogen_Bond_Acceptor_Count	7
656575	Covalent_Unit_Count	1
34005	Hydrogen_Bond_Acceptor_Count	2
87518	Non-hydrogen_Atom_Count	12
3081905	Exact_Mass	1384.72384215
599225	XLogP3-AA	1.8
70240	Isotope_Atom_Count	0
69342023	Isotope_Atom_Count	0
9881360	Isotope_Atom_Count	0
2777993	Undefined_Atom_Stereo_Count	0
547790	Rotatable_Bond_Count	2
54697325	Hydrogen_Bond_Acceptor_Count	10
99730	Isotope_Atom_Count	0
54760130	Hydrogen_Bond_Donor_Count	2
126968472	Rotatable_Bond_Count	2
359778	Defined_Bond_Stereo_Count	0
73246	Isotope_Atom_Count	0
522105	Exact_Mass	143.0501770
3782034	Defined_Bond_Stereo_Count	0
102503853	Defined_Bond_Stereo_Count	0
15982533	Exact_Mass	451.22195442
5053558	Undefined_Bond_Stereo_Count	0
5460037	Hydrogen_Bond_Donor_Count	11
87355672	Non-hydrogen_Atom_Count	8
2465	Hydrogen_Bond_Donor_Count	2
260859	Undefined_Bond_Stereo_Count	0
4479094	Defined_Bond_Stereo_Count	0
25323014	Structure_Complexity	254
54688261	Structure_Complexity	502
61140	Mono_Isotopic_Weight	136.0291072
10797	Isotope_Atom_Count	0
5311130	Covalent_Unit_Count	1
53311	Undefined_Atom_Stereo_Count	0
22157549	Hydrogen_Bond_Donor_Count	0
36401	Isotope_Atom_Count	0
5460044	Total_Formal_Charge	0
9073	Rotatable_Bond_Count	5
694648	TPSA	37.3
657085	TPSA	124
5521	Mono_Isotopic_Weight	161.06056562
23702	Hydrogen_Bond_Donor_Count	5
25006685	TPSA	84.2
67374621	Exact_Mass	398.17427596
70414	Total_Formal_Charge	0
68321915	Exact_Mass	336.15862589
969488	Undefined_Bond_Stereo_Count	0
16722358	Non-hydrogen_Atom_Count	17
69334703	Undefined_Bond_Stereo_Count	0
183559	Undefined_Atom_Stereo_Count	0
794	Covalent_Unit_Count	1
44129648	Rotatable_Bond_Count	6
213049	Molecular_Weight	465.4
44571	Hydrogen_Bond_Acceptor_Count	3
23173	Structure_Complexity	204
34260	Exact_Mass	356.29265975
139758	Exact_Mass	164.156500638
24191118	Exact_Mass	296.939948
8936	Rotatable_Bond_Count	10
20839605	Defined_Atom_Stereo_Count	0
59504979	Structure_Complexity	138
19988	Structure_Complexity	462
5363095	TPSA	26.3
68352	Hydrogen_Bond_Acceptor_Count	2
129600762	Isotope_Atom_Count	0
19137	Hydrogen_Bond_Acceptor_Count	3
3686723	XLogP3-AA	3.9
327216	Non-hydrogen_Atom_Count	7
61057	Defined_Bond_Stereo_Count	0
5362772	Defined_Atom_Stereo_Count	0
9840857	Hydrogen_Bond_Acceptor_Count	3
91555191	Hydrogen_Bond_Acceptor_Count	0
20770500	Defined_Bond_Stereo_Count	0
10239891	Hydrogen_Bond_Donor_Count	4
78407	Covalent_Unit_Count	1
11868	Undefined_Atom_Stereo_Count	0
11105340	Defined_Bond_Stereo_Count	0
11226684	Total_Formal_Charge	0
5289534	TPSA	146
118975693	Rotatable_Bond_Count	1
72924	Covalent_Unit_Count	1
160205454	Exact_Mass	284.16237386
208916	Non-hydrogen_Atom_Count	14
10709065	Hydrogen_Bond_Acceptor_Count	4
6857537	Defined_Atom_Stereo_Count	2
5459973	Non-hydrogen_Atom_Count	11
74236	Mono_Isotopic_Weight	321.20311
11477084	Defined_Atom_Stereo_Count	0
168871	XLogP3-AA	2.7
21876618	Hydrogen_Bond_Acceptor_Count	2
316542	Hydrogen_Bond_Donor_Count	2
76715077	Covalent_Unit_Count	1
15671	Structure_Complexity	662
4597	Undefined_Bond_Stereo_Count	0
17179	Hydrogen_Bond_Acceptor_Count	3
135925739	Defined_Atom_Stereo_Count	9
71406	Molecular_Weight	574.8
505	Mono_Isotopic_Weight	354.05766507
573419	Molecular_Weight	110.11
16323	Hydrogen_Bond_Donor_Count	0
132367	Covalent_Unit_Count	1
11500493	Hydrogen_Bond_Donor_Count	2
20141078	Structure_Complexity	117
142738	Molecular_Weight	108.18
35056	Hydrogen_Bond_Acceptor_Count	5
123419	Defined_Bond_Stereo_Count	0
9844747	Molecular_Weight	415.5
17691	Isotope_Atom_Count	0
11670791	Undefined_Atom_Stereo_Count	0
21322	Non-hydrogen_Atom_Count	14
702289	Defined_Bond_Stereo_Count	0
9538	TPSA	17.1
24936995	Structure_Complexity	175
272079	Non-hydrogen_Atom_Count	8
2987927	Undefined_Atom_Stereo_Count	1
2520	Rotatable_Bond_Count	13
3001055	Structure_Complexity	347
23378923	Hydrogen_Bond_Donor_Count	1
11970447	Exact_Mass	352.2029893
7053	Defined_Atom_Stereo_Count	0
10528103	Undefined_Atom_Stereo_Count	1
67495	Total_Formal_Charge	0
53315110	TPSA	56.8
3794	Defined_Bond_Stereo_Count	0
6484	Undefined_Atom_Stereo_Count	0
5948	Covalent_Unit_Count	1
89785	Isotope_Atom_Count	0
65452	Tautomer_Count	3
21864560	Defined_Bond_Stereo_Count	0
2759	XLogP3-AA	1.5
16212687	Defined_Bond_Stereo_Count	0
3983	Rotatable_Bond_Count	24
136253316	Total_Formal_Charge	1
86248095	Hydrogen_Bond_Donor_Count	1
117822	Undefined_Atom_Stereo_Count	0
8062	Covalent_Unit_Count	1
60975	Undefined_Atom_Stereo_Count	1
40523471	Molecular_Weight	347.4
6854	Tautomer_Count	1
14907580	Defined_Atom_Stereo_Count	0
138718771	Mono_Isotopic_Weight	100.100048391
59901542	Molecular_Weight	19.057
129319344	XLogP3-AA	12.1
22612	TPSA	38
31	Defined_Atom_Stereo_Count	0
134436906	Defined_Bond_Stereo_Count	0
358996	Undefined_Bond_Stereo_Count	0
91750	Hydrogen_Bond_Donor_Count	2
11248738	Rotatable_Bond_Count	14
6435920	Mono_Isotopic_Weight	224.177630004
23687810	Covalent_Unit_Count	2
8257	Exact_Mass	86.073164938
12441597	Non-hydrogen_Atom_Count	8
7896	Undefined_Atom_Stereo_Count	1
18755331	Molecular_Weight	88.11
6620	Structure_Complexity	272
135398559	Non-hydrogen_Atom_Count	34
12460926	Non-hydrogen_Atom_Count	9
67515	Covalent_Unit_Count	1
25101755	Structure_Complexity	705
7616	Undefined_Bond_Stereo_Count	0
19254	Tautomer_Count	5
3927	Structure_Complexity	511
10285778	Rotatable_Bond_Count	2
4217966	Covalent_Unit_Count	1
504659	Isotope_Atom_Count	0
888	Undefined_Bond_Stereo_Count	0
5282493	Structure_Complexity	982
18730079	Undefined_Bond_Stereo_Count	0
10753	Hydrogen_Bond_Acceptor_Count	6
118210179	Hydrogen_Bond_Acceptor_Count	4
57549763	Undefined_Atom_Stereo_Count	3
71381729	Total_Formal_Charge	0
9895264	Covalent_Unit_Count	1
5477380	Covalent_Unit_Count	1
11114	Isotope_Atom_Count	0
20666911	Defined_Atom_Stereo_Count	0
24848235	Hydrogen_Bond_Donor_Count	1
117891679	Rotatable_Bond_Count	1
69091	Covalent_Unit_Count	1
84363	Mono_Isotopic_Weight	350.0855767
25273607	Rotatable_Bond_Count	6
584645	Molecular_Weight	302.3
57750407	Exact_Mass	495.2513364
9855548	Defined_Atom_Stereo_Count	0
5003059	Undefined_Atom_Stereo_Count	0
54676228	Rotatable_Bond_Count	2
45285	Rotatable_Bond_Count	11
84398	Tautomer_Count	1
129653419	Mono_Isotopic_Weight	86.07077866
5461056	Undefined_Atom_Stereo_Count	1
70075	TPSA	29.4
137699188	Molecular_Weight	1526.8
71449989	Mono_Isotopic_Weight	393.20861303
53462066	Undefined_Bond_Stereo_Count	0
12775	Molecular_Weight	136.19
22140765	Exact_Mass	113.058911855
2610	Defined_Atom_Stereo_Count	0
68503	Covalent_Unit_Count	1
2343	Hydrogen_Bond_Donor_Count	2
10329124	Covalent_Unit_Count	1
24968	Hydrogen_Bond_Donor_Count	0
10898648	Mono_Isotopic_Weight	97.052763847
24901143	Mono_Isotopic_Weight	483.1383406
57358782	Molecular_Weight	416.6
212	Undefined_Atom_Stereo_Count	4
89800161	XLogP3-AA	7.5
545809	Non-hydrogen_Atom_Count	14
18692	Mono_Isotopic_Weight	259.90475
5334356	Structure_Complexity	360
32742	Defined_Bond_Stereo_Count	0
37968	Undefined_Atom_Stereo_Count	0
12681	Undefined_Atom_Stereo_Count	0
73357	Defined_Atom_Stereo_Count	10
903738	Defined_Bond_Stereo_Count	0
5284585	Hydrogen_Bond_Acceptor_Count	5
3858	Structure_Complexity	231
54270986	Exact_Mass	339.97701816
102025582	Mono_Isotopic_Weight	342.11621151
52355	Molecular_Weight	292.29
43858	Mono_Isotopic_Weight	116.120115130
88314154	Defined_Atom_Stereo_Count	0
69851796	Total_Formal_Charge	0
6437850	TPSA	26
91414	Molecular_Weight	165.07
46783800	Total_Formal_Charge	0
83907	Tautomer_Count	1
347381	TPSA	83.1
70686822	TPSA	127
70614444	TPSA	75.7
42796	Isotope_Atom_Count	0
10986185	Total_Formal_Charge	0
14597941	TPSA	18.5
53944814	Undefined_Bond_Stereo_Count	0
6321340	Undefined_Atom_Stereo_Count	0
160430	Total_Formal_Charge	0
3915	Undefined_Atom_Stereo_Count	2
9844225	TPSA	65.1
5281670	Structure_Complexity	488
15008962	Molecular_Weight	405.4
8073	Non-hydrogen_Atom_Count	6
57750418	Defined_Atom_Stereo_Count	0
134129703	Rotatable_Bond_Count	16
35766	Rotatable_Bond_Count	6
8489	Total_Formal_Charge	0
56834575	Hydrogen_Bond_Acceptor_Count	7
70926	Molecular_Weight	213.3
11355455	Hydrogen_Bond_Donor_Count	0
73881	Undefined_Bond_Stereo_Count	0
83899	Tautomer_Count	1
49869312	Undefined_Bond_Stereo_Count	0
32797	Mono_Isotopic_Weight	410.1660152
101469918	Defined_Atom_Stereo_Count	5
1733	Rotatable_Bond_Count	0
7338	TPSA	29.5
101148	Covalent_Unit_Count	1
3226	Hydrogen_Bond_Acceptor_Count	6
54725318	TPSA	113
11173546	Covalent_Unit_Count	1
11804701	Structure_Complexity	97
1221	TPSA	102
24774912	Undefined_Bond_Stereo_Count	0
61059	Mono_Isotopic_Weight	210.00205114
3507056	Exact_Mass	833.6394
45878	Structure_Complexity	342
58801077	XLogP3-AA	0.5
10297818	Undefined_Atom_Stereo_Count	0
68296308	TPSA	64.7
13538284	Mono_Isotopic_Weight	98.059246208
774262	Mono_Isotopic_Weight	267.06439116
7741	Mono_Isotopic_Weight	111.079647300
5288759	Covalent_Unit_Count	1
50516	Hydrogen_Bond_Donor_Count	1
81561	Undefined_Bond_Stereo_Count	0
48920	Mono_Isotopic_Weight	283.157228913
119693	Exact_Mass	103.099714038
47676	XLogP3-AA	3.5
2969	Hydrogen_Bond_Donor_Count	1
77171	Exact_Mass	560.18669111
97127	Structure_Complexity	290
20372060	Molecular_Weight	113.11
4054	Structure_Complexity	240
57403867	Hydrogen_Bond_Acceptor_Count	10
141174518	Undefined_Bond_Stereo_Count	0
529277	XLogP3-AA	2.5
24824	Hydrogen_Bond_Donor_Count	0
627816	Structure_Complexity	466
67771108	Exact_Mass	100.052429494
147205698	TPSA	31.2
12285868	Total_Formal_Charge	0
12590282	Isotope_Atom_Count	0
5287969	Isotope_Atom_Count	0
12506259	Exact_Mass	115.063328530
4320947	Tautomer_Count	1
6101956	Hydrogen_Bond_Donor_Count	1
159384	Defined_Atom_Stereo_Count	0
52941030	TPSA	91.7
80153	Hydrogen_Bond_Donor_Count	1
20188118	Hydrogen_Bond_Acceptor_Count	2
3080772	Mono_Isotopic_Weight	206.08037557
10177	Defined_Bond_Stereo_Count	0
57750369	Total_Formal_Charge	0
12196274	Defined_Atom_Stereo_Count	0
70615	Total_Formal_Charge	0
17921988	Exact_Mass	114.031694049
16005120	Hydrogen_Bond_Acceptor_Count	1
21574	Undefined_Bond_Stereo_Count	0
5160	Isotope_Atom_Count	0
56841934	Total_Formal_Charge	0
11988953	Undefined_Atom_Stereo_Count	0
493082	Covalent_Unit_Count	1
10866310	Defined_Atom_Stereo_Count	0
10943	Molecular_Weight	147.00
148539	Rotatable_Bond_Count	0
296464	Covalent_Unit_Count	1
12536263	TPSA	67.2
134715568	Exact_Mass	570.34512703
64017	Structure_Complexity	412
9195	Undefined_Bond_Stereo_Count	0
679386	Non-hydrogen_Atom_Count	19
67320864	Molecular_Weight	113.11
166931	Covalent_Unit_Count	1
3085017	Isotope_Atom_Count	0
73386890	Total_Formal_Charge	0
143588	Undefined_Bond_Stereo_Count	0
10992	XLogP3	3.6
6422	Molecular_Weight	114.02
215932	Hydrogen_Bond_Donor_Count	1
91229160	Molecular_Weight	111.10
587348	Hydrogen_Bond_Donor_Count	1
4100	Defined_Bond_Stereo_Count	0
16129576	TPSA	107
24678	Undefined_Atom_Stereo_Count	0
134688015	Defined_Atom_Stereo_Count	0
60712	Defined_Atom_Stereo_Count	0
694634	Undefined_Atom_Stereo_Count	0
53825857	Structure_Complexity	68.5
23642227	Exact_Mass	580.28969963
413535	Covalent_Unit_Count	1
5282387	Molecular_Weight	370.59
11286453	XLogP3-AA	0.2
1284234	Undefined_Atom_Stereo_Count	0
122173102	Total_Formal_Charge	0
168131	Defined_Atom_Stereo_Count	0
75816	Undefined_Atom_Stereo_Count	0
4217966	TPSA	69.1
10430619	Undefined_Bond_Stereo_Count	0
13247016	Undefined_Atom_Stereo_Count	1
12222	TPSA	17.1
6850814	Tautomer_Count	1
137967	Undefined_Bond_Stereo_Count	0
16622	XLogP3-AA	3.3
10134976	TPSA	77.5
44310436	Covalent_Unit_Count	1
16683978	Hydrogen_Bond_Acceptor_Count	4
44477	Covalent_Unit_Count	1
6672	Mono_Isotopic_Weight	151.063328530
92210	Rotatable_Bond_Count	1
17986197	Structure_Complexity	156
83079	Covalent_Unit_Count	1
166931	Mono_Isotopic_Weight	47.976501649
20485728	Hydrogen_Bond_Acceptor_Count	2
4235	Isotope_Atom_Count	0
47640	Non-hydrogen_Atom_Count	23
688763	Isotope_Atom_Count	0
9425	Defined_Atom_Stereo_Count	0
12965	Defined_Bond_Stereo_Count	0
968472	Defined_Atom_Stereo_Count	0
60196316	Molecular_Weight	387.0
14611919	Undefined_Bond_Stereo_Count	0
12921732	Mono_Isotopic_Weight	82.041864811
600	Molecular_Weight	258.12
82711397	Undefined_Bond_Stereo_Count	0
71541083	Undefined_Bond_Stereo_Count	0
5311399	Hydrogen_Bond_Acceptor_Count	5
27926	Isotope_Atom_Count	0
87380	Defined_Bond_Stereo_Count	0
162990684	Isotope_Atom_Count	0
142518	Undefined_Bond_Stereo_Count	0
25102937	TPSA	153
11	Total_Formal_Charge	0
10946	Hydrogen_Bond_Acceptor_Count	3
142906448	Undefined_Atom_Stereo_Count	1
10236	Exact_Mass	178.02660867
853863	Molecular_Weight	296.1
8398	Total_Formal_Charge	0
129671761	Undefined_Atom_Stereo_Count	2
9064	XLogP3	0.4
3078	Covalent_Unit_Count	1
53316418	Hydrogen_Bond_Donor_Count	0
11532248	Undefined_Bond_Stereo_Count	0
44144477	Non-hydrogen_Atom_Count	115
688691	Undefined_Bond_Stereo_Count	0
134931805	Hydrogen_Bond_Acceptor_Count	1
2443	Non-hydrogen_Atom_Count	43
72941505	Molecular_Weight	377.28
5362736	Defined_Atom_Stereo_Count	0
54095609	Undefined_Atom_Stereo_Count	1
71391652	Hydrogen_Bond_Donor_Count	0
44521017	Defined_Atom_Stereo_Count	0
126636957	TPSA	279
6999987	Non-hydrogen_Atom_Count	7
447339	Defined_Atom_Stereo_Count	0
60149	Mono_Isotopic_Weight	440.1779173
12299881	Covalent_Unit_Count	1
16850	Rotatable_Bond_Count	0
25242	Covalent_Unit_Count	1
5460307	Undefined_Atom_Stereo_Count	0
748002	Defined_Bond_Stereo_Count	0
56949517	Structure_Complexity	643
73761	XLogP3-AA	0.7
39764	Hydrogen_Bond_Acceptor_Count	6
10471931	Defined_Atom_Stereo_Count	0
50895	Non-hydrogen_Atom_Count	24
52943334	Defined_Atom_Stereo_Count	1
57358493	Hydrogen_Bond_Donor_Count	4
3060	XLogP3	3.4
7157007	Structure_Complexity	151
54493962	XLogP3-AA	1.1
146158506	Covalent_Unit_Count	1
656587	Total_Formal_Charge	0
638132	Isotope_Atom_Count	0
12358851	Exact_Mass	243.08552052
14208378	Tautomer_Count	1
23724963	Total_Formal_Charge	0
45944	Hydrogen_Bond_Donor_Count	1
28864	Tautomer_Count	4
71343993	Mono_Isotopic_Weight	103.063328530
78373	Isotope_Atom_Count	0
93365	Undefined_Atom_Stereo_Count	1
26445	Isotope_Atom_Count	0
121893	TPSA	138
5388962	Undefined_Atom_Stereo_Count	0
71438255	Undefined_Atom_Stereo_Count	0
18998026	Structure_Complexity	66.6
184822	Hydrogen_Bond_Donor_Count	3
5284623	Hydrogen_Bond_Acceptor_Count	14
23674098	Undefined_Atom_Stereo_Count	0
90714454	TPSA	29.5
13177014	Isotope_Atom_Count	0
19816937	Molecular_Weight	111.10
5351197	TPSA	3.2
55289602	Total_Formal_Charge	0
73720	Undefined_Atom_Stereo_Count	0
8320	Defined_Bond_Stereo_Count	0
25202592	Mono_Isotopic_Weight	129.078978594
16224058	Hydrogen_Bond_Donor_Count	2
48973	Mono_Isotopic_Weight	275.188529040
7222	Hydrogen_Bond_Acceptor_Count	2
12488467	Covalent_Unit_Count	1
443366	XLogP3-AA	2.2
89216	Total_Formal_Charge	0
135402037	Covalent_Unit_Count	1
12338288	Molecular_Weight	112.17
9396	Hydrogen_Bond_Donor_Count	0
5656	Undefined_Bond_Stereo_Count	0
15809	Tautomer_Count	2
31117	Molecular_Weight	283.4
34710	TPSA	29.5
10181898	Covalent_Unit_Count	1
713762	Hydrogen_Bond_Acceptor_Count	5
123359989	Molecular_Weight	114.10
141429324	TPSA	21.9
2300	TPSA	51.1
73078	Defined_Bond_Stereo_Count	0
19883311	Molecular_Weight	102.14
2723872	Hydrogen_Bond_Acceptor_Count	6
11039	Mono_Isotopic_Weight	102.068079557
71698	XLogP3	2.3
146474256	Molecular_Weight	100.12
13052471	Structure_Complexity	205
658645	Hydrogen_Bond_Donor_Count	2
8670	Molecular_Weight	221.12
16051586	Non-hydrogen_Atom_Count	29
1277665	Undefined_Bond_Stereo_Count	0
9888075	Mono_Isotopic_Weight	415.19948764
447199	Molecular_Weight	267.24
83191	Structure_Complexity	42.2
58544	TPSA	33.6
71242808	TPSA	52.6
78328	Hydrogen_Bond_Donor_Count	1
163698895	Hydrogen_Bond_Donor_Count	2
11693901	Rotatable_Bond_Count	0
44310303	Covalent_Unit_Count	1
69111	Total_Formal_Charge	0
49866023	Defined_Atom_Stereo_Count	2
278711	Isotope_Atom_Count	0
16987	Molecular_Weight	252.61
70695654	Structure_Complexity	1000
13601826	Defined_Atom_Stereo_Count	0
234105	Hydrogen_Bond_Donor_Count	2
9128	Defined_Bond_Stereo_Count	0
12176	Hydrogen_Bond_Donor_Count	1
62719	Exact_Mass	218.13382109
599239	Covalent_Unit_Count	1
3015798	Defined_Bond_Stereo_Count	0
519271	Hydrogen_Bond_Acceptor_Count	1
157684	Tautomer_Count	1
124744577	Covalent_Unit_Count	1
23667300	Undefined_Bond_Stereo_Count	0
101614363	Molecular_Weight	278.39
54025583	Hydrogen_Bond_Acceptor_Count	2
88255060	Total_Formal_Charge	0
790	Structure_Complexity	190
11858	Exact_Mass	164.0240218
8797	Undefined_Atom_Stereo_Count	0
11243969	Hydrogen_Bond_Acceptor_Count	4
91635	Molecular_Weight	360.9
16219	TPSA	3.2
535535	Undefined_Bond_Stereo_Count	0
94308	Undefined_Bond_Stereo_Count	0
129859783	Covalent_Unit_Count	1
57396213	TPSA	102
541675	Undefined_Bond_Stereo_Count	0
12302691	Total_Formal_Charge	0
69334703	Defined_Atom_Stereo_Count	0
31493	Covalent_Unit_Count	1
57568	Mono_Isotopic_Weight	211.157228913
3628	Tautomer_Count	1
148121	Molecular_Weight	477.5
12170	Molecular_Weight	140.14
6919101	Exact_Mass	101.060254526
70991	Defined_Atom_Stereo_Count	0
11018809	Molecular_Weight	95.10
76973723	Mono_Isotopic_Weight	1213.91668897
129826870	Hydrogen_Bond_Donor_Count	0
65575055	Non-hydrogen_Atom_Count	8
68169200	Mono_Isotopic_Weight	110.073164938
94217	Undefined_Atom_Stereo_Count	3
7207	Isotope_Atom_Count	0
440966	Mono_Isotopic_Weight	136.125200510
19816560	Molecular_Weight	103.16
9794056	Mono_Isotopic_Weight	181.06674293
5280493	Undefined_Atom_Stereo_Count	0
146356470	Total_Formal_Charge	0
47288	Non-hydrogen_Atom_Count	22
5280492	Hydrogen_Bond_Donor_Count	3
366731	Non-hydrogen_Atom_Count	18
656917	Isotope_Atom_Count	0
44629591	Non-hydrogen_Atom_Count	40
13012252	Undefined_Bond_Stereo_Count	0
122173791	Total_Formal_Charge	1
3661	Exact_Mass	289.16779360
121231162	Rotatable_Bond_Count	16
139086956	Defined_Bond_Stereo_Count	0
74441105	Undefined_Atom_Stereo_Count	2
24875236	Mono_Isotopic_Weight	363.14839556
3082754	Isotope_Atom_Count	0
644109	Undefined_Atom_Stereo_Count	0
69341756	Molecular_Weight	113.11
8764	TPSA	35.2
335	Mono_Isotopic_Weight	108.057514874
14723648	Isotope_Atom_Count	0
21751982	Molecular_Weight	117.15
86855	Covalent_Unit_Count	1
649230	Hydrogen_Bond_Donor_Count	0
49766037	XLogP3-AA	1
3086400	Rotatable_Bond_Count	7
72758138	Covalent_Unit_Count	1
20323899	Total_Formal_Charge	0
7808	Hydrogen_Bond_Donor_Count	1
19002911	Undefined_Atom_Stereo_Count	0
76748	Structure_Complexity	105
7610	Exact_Mass	137.084063974
71459166	Hydrogen_Bond_Acceptor_Count	4
13021	Structure_Complexity	84.3
11243536	Exact_Mass	300.0796186
91069096	Covalent_Unit_Count	1
9447938	Undefined_Bond_Stereo_Count	0
129738033	Mono_Isotopic_Weight	256.06703418
70249	Rotatable_Bond_Count	8
56841980	Hydrogen_Bond_Donor_Count	5
864969	Rotatable_Bond_Count	1
3033968	Undefined_Bond_Stereo_Count	0
36832	Non-hydrogen_Atom_Count	8
59296000	Non-hydrogen_Atom_Count	32
9380	Total_Formal_Charge	0
92139	Hydrogen_Bond_Donor_Count	0
54690394	Covalent_Unit_Count	1
97255	Hydrogen_Bond_Acceptor_Count	3
135431244	XLogP3-AA	0.1
73415789	Exact_Mass	524.0784474
163600703	Molecular_Weight	113.16
101142080	Undefined_Bond_Stereo_Count	0
7020657	Exact_Mass	198.079312947
688378	Isotope_Atom_Count	0
547686	Molecular_Weight	117.15
7556	Defined_Bond_Stereo_Count	0
25419	Undefined_Atom_Stereo_Count	0
5475462	Hydrogen_Bond_Acceptor_Count	1
8648	Undefined_Atom_Stereo_Count	2
18506394	Total_Formal_Charge	0
11389368	Hydrogen_Bond_Acceptor_Count	2
49865859	Isotope_Atom_Count	0
3037032	TPSA	60.4
23378923	Exact_Mass	112.088815002
5460769	Covalent_Unit_Count	1
131270	Structure_Complexity	466
54235966	Structure_Complexity	107
24867465	Molecular_Weight	341.83
22998467	Undefined_Bond_Stereo_Count	0
181134	Total_Formal_Charge	0
18923031	Structure_Complexity	82.1
439639	Molecular_Weight	666.6
444030	Defined_Atom_Stereo_Count	1
153996	Non-hydrogen_Atom_Count	44
21670825	XLogP3-AA	6.6
10931381	Defined_Atom_Stereo_Count	0
156232885	Hydrogen_Bond_Acceptor_Count	12
4118	Hydrogen_Bond_Donor_Count	1
30131	XLogP3-AA	3.1
5805243	Undefined_Atom_Stereo_Count	0
24915	Isotope_Atom_Count	0
611834	Rotatable_Bond_Count	1
703128	Exact_Mass	287.15214353
143291	Total_Formal_Charge	0
9470	Hydrogen_Bond_Donor_Count	2
455798	Undefined_Atom_Stereo_Count	0
23690430	Structure_Complexity	248
541087	Non-hydrogen_Atom_Count	23
67284	Undefined_Bond_Stereo_Count	0
43457	Undefined_Atom_Stereo_Count	0
139113917	Exact_Mass	576.15109601
444021	Isotope_Atom_Count	0
89741632	Defined_Bond_Stereo_Count	0
94180	Defined_Atom_Stereo_Count	0
6917662	Rotatable_Bond_Count	3
87280027	Exact_Mass	112.027277375
2426	Isotope_Atom_Count	0
80779	Non-hydrogen_Atom_Count	13
56934415	Non-hydrogen_Atom_Count	47
84661	Hydrogen_Bond_Donor_Count	0
92729	Mono_Isotopic_Weight	416.365430770
135398619	Undefined_Atom_Stereo_Count	0
154437	Defined_Atom_Stereo_Count	0
123630	Molecular_Weight	300.29
6997338	Covalent_Unit_Count	1
17050	TPSA	29.5
11527661	Rotatable_Bond_Count	7
10154	Structure_Complexity	461
155649598	TPSA	34
4685	Molecular_Weight	147.00
45085104	Defined_Bond_Stereo_Count	0
9963056	Exact_Mass	954.42962397
430795	TPSA	13
36879	Covalent_Unit_Count	1
138335	Covalent_Unit_Count	1
86287524	Covalent_Unit_Count	1
87552098	Undefined_Bond_Stereo_Count	0
15765799	Isotope_Atom_Count	0
66969	Non-hydrogen_Atom_Count	8
449362	Exact_Mass	991.32922577
24768019	Undefined_Atom_Stereo_Count	0
162639102	Hydrogen_Bond_Acceptor_Count	11
3527278	Defined_Atom_Stereo_Count	0
16217852	Mono_Isotopic_Weight	125.047678466
56964111	Undefined_Atom_Stereo_Count	0
23681382	Undefined_Atom_Stereo_Count	0
28140	Defined_Atom_Stereo_Count	0
5284439	Defined_Atom_Stereo_Count	0
16129620	Covalent_Unit_Count	1
87535084	Mono_Isotopic_Weight	114.068079557
13379149	Defined_Bond_Stereo_Count	0
153442	Total_Formal_Charge	0
130804992	Total_Formal_Charge	0
4470790	Exact_Mass	356.10083623
3033968	Undefined_Atom_Stereo_Count	0
7428	Mono_Isotopic_Weight	184.03717335
15337	Undefined_Bond_Stereo_Count	0
4806	XLogP3	1.1
1756	Mono_Isotopic_Weight	187.038176411
91464153	Mono_Isotopic_Weight	111.032028402
88035911	Structure_Complexity	459
84221363	Undefined_Atom_Stereo_Count	0
36357	Exact_Mass	352.21105539
101260859	Isotope_Atom_Count	0
668601	Isotope_Atom_Count	0
8461	Covalent_Unit_Count	1
86260	Molecular_Weight	376.9
11540045	Defined_Atom_Stereo_Count	0
67254077	Undefined_Atom_Stereo_Count	0
5484736	Undefined_Bond_Stereo_Count	0
5746414	Hydrogen_Bond_Acceptor_Count	3
267	TPSA	573
99378	Hydrogen_Bond_Donor_Count	1
156616838	Exact_Mass	342.11621151
102515495	Isotope_Atom_Count	0
54391876	Hydrogen_Bond_Donor_Count	1
21133161	XLogP3-AA	1.1
85925	Hydrogen_Bond_Acceptor_Count	0
11619220	Isotope_Atom_Count	0
197883	Undefined_Atom_Stereo_Count	0
66679	Isotope_Atom_Count	0
22561495	TPSA	74.8
123347622	TPSA	21.9
21106	Undefined_Bond_Stereo_Count	0
102348331	Hydrogen_Bond_Acceptor_Count	2
13479278	Hydrogen_Bond_Acceptor_Count	1
21455617	Non-hydrogen_Atom_Count	7
5496539	Covalent_Unit_Count	1
56659408	Rotatable_Bond_Count	13
5459319	Exact_Mass	525.24750046
96395	Exact_Mass	193.085126602
14280898	Hydrogen_Bond_Acceptor_Count	2
69602	Defined_Atom_Stereo_Count	0
86014	Rotatable_Bond_Count	0
124316	Hydrogen_Bond_Acceptor_Count	7
10994	Isotope_Atom_Count	0
9086	Mono_Isotopic_Weight	75.068413911
2127	Covalent_Unit_Count	1
130147045	Hydrogen_Bond_Donor_Count	1
82343	Hydrogen_Bond_Acceptor_Count	1
439680	Total_Formal_Charge	0
21061676	Defined_Bond_Stereo_Count	0
53944814	Defined_Atom_Stereo_Count	0
11596660	Non-hydrogen_Atom_Count	31
40704	Non-hydrogen_Atom_Count	32
5460161	Molecular_Weight	89.07
131878633	Defined_Bond_Stereo_Count	0
441174	XLogP3-AA	2.4
19954	Exact_Mass	186.090546336
5366258	Exact_Mass	170.167065321
41095	Exact_Mass	249.172878976
118701498	Rotatable_Bond_Count	0
155290	Hydrogen_Bond_Acceptor_Count	2
644113	Isotope_Atom_Count	0
16303	Exact_Mass	163.099714038
123097	Exact_Mass	79.0532269373
70695640	TPSA	0
5280953	XLogP3	3.6
21680710	Hydrogen_Bond_Donor_Count	2
4410	Hydrogen_Bond_Acceptor_Count	7
102677	Exact_Mass	84.057514874
15820984	TPSA	80.3
21585658	Undefined_Bond_Stereo_Count	0
25644	Defined_Atom_Stereo_Count	0
13699300	TPSA	35.5
5460044	Molecular_Weight	182.17
15273920	Isotope_Atom_Count	0
7204	Mono_Isotopic_Weight	200.0240218
49869312	Defined_Atom_Stereo_Count	0
7348	Structure_Complexity	254
4320774	Isotope_Atom_Count	0
6387197	Non-hydrogen_Atom_Count	2
11386	Structure_Complexity	132
9416	Tautomer_Count	5
527072	Structure_Complexity	282
137967	Undefined_Atom_Stereo_Count	0
11020	Defined_Atom_Stereo_Count	0
79633	Structure_Complexity	325
11684	Hydrogen_Bond_Acceptor_Count	2
71454	Structure_Complexity	380
86062	Mono_Isotopic_Weight	101.120449483
46203139	Defined_Atom_Stereo_Count	9
4693	Structure_Complexity	1440
65979	TPSA	36.4
16120191	TPSA	72.2
637996	Total_Formal_Charge	0
60702934	Defined_Bond_Stereo_Count	0
72760	TPSA	98.8
153655135	Hydrogen_Bond_Donor_Count	2
8002585	TPSA	58.6
11953895	Structure_Complexity	119
21845248	Covalent_Unit_Count	1
76966897	TPSA	557
22086042	XLogP3-AA	1.5
9964188	Total_Formal_Charge	0
15194034	Defined_Bond_Stereo_Count	0
57621	Molecular_Weight	403.9
2543	Total_Formal_Charge	0
30571	Covalent_Unit_Count	1
17673	Hydrogen_Bond_Donor_Count	0
72955	Exact_Mass	642.21598512
24892840	Exact_Mass	446.1472106
23663992	Defined_Bond_Stereo_Count	1
1177	Mono_Isotopic_Weight	244.06953611
20935	Structure_Complexity	50
99416	Non-hydrogen_Atom_Count	19
86101	TPSA	50.8
118388035	Total_Formal_Charge	0
392	Covalent_Unit_Count	1
8710	Covalent_Unit_Count	1
90066559	Exact_Mass	100.100048391
11643846	Exact_Mass	1201.84136802
446807	Defined_Bond_Stereo_Count	0
5282402	Non-hydrogen_Atom_Count	26
88464430	Molecular_Weight	117.15
13559281	XLogP3-AA	2.9
7536516	Mono_Isotopic_Weight	161.095297364
67611425	Covalent_Unit_Count	1
95202	Hydrogen_Bond_Donor_Count	0
53316376	Mono_Isotopic_Weight	516.07286792
793	Covalent_Unit_Count	1
37142	Tautomer_Count	1
3956708	Mono_Isotopic_Weight	213.03338833
3035240	Structure_Complexity	409
9948894	Mono_Isotopic_Weight	318.06742811
42470	TPSA	29.5
3034424	Exact_Mass	196.146329876
1742210	Mono_Isotopic_Weight	220.182715385
7017	Molecular_Weight	170.21
706	Hydrogen_Bond_Donor_Count	3
96393	Structure_Complexity	97.1
9963148	Rotatable_Bond_Count	26
5364598	Hydrogen_Bond_Donor_Count	0
62963	Total_Formal_Charge	0
16290686	Undefined_Bond_Stereo_Count	0
15130827	Covalent_Unit_Count	1
91084145	Total_Formal_Charge	0
12685	Non-hydrogen_Atom_Count	9
2762894	Non-hydrogen_Atom_Count	8
6289	Non-hydrogen_Atom_Count	19
443046	Non-hydrogen_Atom_Count	31
135926580	Covalent_Unit_Count	1
446308	Isotope_Atom_Count	0
6919051	Hydrogen_Bond_Acceptor_Count	6
60196286	Isotope_Atom_Count	0
12870232	Defined_Bond_Stereo_Count	0
70144	Molecular_Weight	164.16
102657	Undefined_Atom_Stereo_Count	1
124143	Isotope_Atom_Count	0
448043	Structure_Complexity	476
9464	TPSA	29.1
176871	Structure_Complexity	525
159603	XLogP3-AA	1.3
44407551	TPSA	151
35330	Defined_Bond_Stereo_Count	0
21498	Tautomer_Count	10
10775424	Defined_Atom_Stereo_Count	5
44224133	Hydrogen_Bond_Acceptor_Count	4
546957	Mono_Isotopic_Weight	171.173547683
44453028	Exact_Mass	534.21547206
13220626	Undefined_Atom_Stereo_Count	4
101944071	Non-hydrogen_Atom_Count	22
59791	Hydrogen_Bond_Donor_Count	2
183679	Defined_Atom_Stereo_Count	0
12642	Undefined_Atom_Stereo_Count	1
60672	Non-hydrogen_Atom_Count	30
134976	Exact_Mass	222.08920892
149026	Undefined_Bond_Stereo_Count	0
5281718	Undefined_Bond_Stereo_Count	0
42827	Defined_Atom_Stereo_Count	0
122639	Mono_Isotopic_Weight	991.32922577
54687420	Hydrogen_Bond_Donor_Count	1
556380	Mono_Isotopic_Weight	108.057514874
17819	Covalent_Unit_Count	1
14221	Defined_Bond_Stereo_Count	0
55603	Undefined_Bond_Stereo_Count	0
71358911	Defined_Bond_Stereo_Count	0
19067730	Covalent_Unit_Count	1
81867	Exact_Mass	257.0243562
10657292	XLogP3	0.2
1179	Structure_Complexity	1630
12271349	Exact_Mass	110.073164938
10330781	Tautomer_Count	4
8966	XLogP3-AA	3.6
446167	Structure_Complexity	221
70774	Defined_Bond_Stereo_Count	0
54742	Defined_Atom_Stereo_Count	0
18704550	Undefined_Atom_Stereo_Count	0
66016	Exact_Mass	178.146998583
84647731	TPSA	29.5
143670559	Undefined_Atom_Stereo_Count	2
85999939	Undefined_Bond_Stereo_Count	0
135513268	Undefined_Bond_Stereo_Count	0
126830	Molecular_Weight	226.31
10809009	Non-hydrogen_Atom_Count	25
123643945	Hydrogen_Bond_Donor_Count	0
432760	TPSA	125
182137	XLogP3	2.2
17846631	Mono_Isotopic_Weight	224.08136064
53867	Isotope_Atom_Count	0
9577272	Molecular_Weight	221.30
158797	Exact_Mass	303.1389920
3641960	Defined_Bond_Stereo_Count	0
86278354	Isotope_Atom_Count	0
900	Undefined_Atom_Stereo_Count	5
9874874	Hydrogen_Bond_Acceptor_Count	11
17771	Molecular_Weight	421.75
58657603	TPSA	98.7
2190	Undefined_Bond_Stereo_Count	0
5288223	Exact_Mass	176.03813935
74070	Rotatable_Bond_Count	5
4048	Covalent_Unit_Count	1
10006	Defined_Bond_Stereo_Count	0
535535	Undefined_Atom_Stereo_Count	0
132541087	Molecular_Weight	260.33
458096	Isotope_Atom_Count	0
91543	XLogP3-AA	2.2
21930812	TPSA	50.1
5566	Mono_Isotopic_Weight	407.16430344
80675	Hydrogen_Bond_Donor_Count	3
2679179	Molecular_Weight	251.3
39212	Tautomer_Count	4
18137	Rotatable_Bond_Count	4
61151	Mono_Isotopic_Weight	166.062994177
57395267	XLogP3-AA	4.3
12475877	Mono_Isotopic_Weight	120.02450067
64824	Defined_Bond_Stereo_Count	0
10295295	Isotope_Atom_Count	0
4809	Non-hydrogen_Atom_Count	43
524646	Defined_Bond_Stereo_Count	0
136516	Covalent_Unit_Count	1
135409474	Structure_Complexity	578
53673	Structure_Complexity	191
63179	Exact_Mass	513.21647512
95592	Mono_Isotopic_Weight	174.104465066
89829	Non-hydrogen_Atom_Count	11
60196286	Exact_Mass	328.10056145
7802604	Exact_Mass	388.13986234
39650	Total_Formal_Charge	0
8099	Non-hydrogen_Atom_Count	16
118209838	Defined_Bond_Stereo_Count	0
133126687	Defined_Bond_Stereo_Count	0
146014417	Covalent_Unit_Count	3
11741	Hydrogen_Bond_Donor_Count	2
15788366	XLogP3-AA	4.5
360	Total_Formal_Charge	0
23663412	Total_Formal_Charge	0
441336	XLogP3	3.9
79718	Isotope_Atom_Count	0
15166	Mono_Isotopic_Weight	156.151415257
16497	Non-hydrogen_Atom_Count	11
85335	XLogP3-AA	1.6
153939154	Rotatable_Bond_Count	0
131966078	Defined_Bond_Stereo_Count	0
53315103	Undefined_Bond_Stereo_Count	0
132941102	Defined_Atom_Stereo_Count	15
9576647	Covalent_Unit_Count	1
44571147	Structure_Complexity	605
17895808	Non-hydrogen_Atom_Count	7
150899	Undefined_Atom_Stereo_Count	0
3053755	Hydrogen_Bond_Acceptor_Count	3
19460	Defined_Atom_Stereo_Count	0
21020205	Mono_Isotopic_Weight	99.9715923
5282219	TPSA	82.1
91945062	Hydrogen_Bond_Acceptor_Count	1
6440180	Tautomer_Count	1
44285029	Rotatable_Bond_Count	1
17617	Structure_Complexity	181
12444299	Defined_Bond_Stereo_Count	0
534918	Molecular_Weight	110.20
3191	Rotatable_Bond_Count	10
43834223	TPSA	97.6
12425839	Structure_Complexity	402
188206	Defined_Bond_Stereo_Count	0
56665393	Defined_Atom_Stereo_Count	0
23187765	Rotatable_Bond_Count	2
10350317	Defined_Bond_Stereo_Count	2
68090055	Covalent_Unit_Count	1
91971505	Hydrogen_Bond_Acceptor_Count	14
21185399	Rotatable_Bond_Count	1
18704550	Defined_Atom_Stereo_Count	0
54107	Defined_Bond_Stereo_Count	0
90558	Hydrogen_Bond_Acceptor_Count	4
96457	Hydrogen_Bond_Acceptor_Count	3
165457	Molecular_Weight	361.4
9574960	XLogP3-AA	2.3
24986999	Defined_Atom_Stereo_Count	4
90895196	Isotope_Atom_Count	0
95456	Mono_Isotopic_Weight	117.078978594
26129	Rotatable_Bond_Count	0
522946	Undefined_Atom_Stereo_Count	0
85296	Mono_Isotopic_Weight	147.08301860
101074209	Defined_Atom_Stereo_Count	15
642197	Molecular_Weight	124.99
70684313	Exact_Mass	411.15560620
67518639	Hydrogen_Bond_Donor_Count	5
70681028	TPSA	69.3
130002904	Mono_Isotopic_Weight	114.068079557
75192	Molecular_Weight	212.25
854418	Defined_Atom_Stereo_Count	0
121249	Covalent_Unit_Count	1
9707	Mono_Isotopic_Weight	112.032442941
9571109	Defined_Bond_Stereo_Count	1
54484	Exact_Mass	292.17869263
1613	TPSA	111
722	Molecular_Weight	194.14
13908	Exact_Mass	216.02450067
8805	Covalent_Unit_Count	1
66254	Exact_Mass	192.0015015
13265823	Molecular_Weight	106.12
11243536	TPSA	32.3
69829	Exact_Mass	96.093900383
3032854	Undefined_Atom_Stereo_Count	1
84179	Undefined_Bond_Stereo_Count	0
556872	Structure_Complexity	105
62086	Defined_Bond_Stereo_Count	0
53389	TPSA	20.2
963424	Mono_Isotopic_Weight	314.05475542
13400	Undefined_Bond_Stereo_Count	0
66561	Tautomer_Count	1
4186	Rotatable_Bond_Count	6
10937607	Covalent_Unit_Count	1
28332	Total_Formal_Charge	0
21157625	Hydrogen_Bond_Donor_Count	0
1201546	Mono_Isotopic_Weight	132.96560607
89252	Covalent_Unit_Count	1
3209	Hydrogen_Bond_Donor_Count	1
704754	Rotatable_Bond_Count	3
24706	Isotope_Atom_Count	0
7928	Undefined_Bond_Stereo_Count	0
12291	Undefined_Bond_Stereo_Count	0
93279	Defined_Bond_Stereo_Count	0
9018	TPSA	20.2
16305	Molecular_Weight	328.00
2816105	Isotope_Atom_Count	0
25094630	Structure_Complexity	522
74080	Molecular_Weight	106.13
5353422	Exact_Mass	460.20971797
1473879	Defined_Bond_Stereo_Count	0
16120191	Rotatable_Bond_Count	3
143714846	Defined_Atom_Stereo_Count	0
119086018	Molecular_Weight	109.09
11450633	Defined_Bond_Stereo_Count	0
66062	Undefined_Bond_Stereo_Count	0
57208108	Undefined_Atom_Stereo_Count	0
14535398	Molecular_Weight	151.97
58795738	Total_Formal_Charge	0
8281	Non-hydrogen_Atom_Count	17
24654	Rotatable_Bond_Count	0
19819	Molecular_Weight	297.13
11228775	Molecular_Weight	111.14
11531799	Hydrogen_Bond_Donor_Count	2
63950	Total_Formal_Charge	0
51380890	Defined_Atom_Stereo_Count	0
6649	Hydrogen_Bond_Donor_Count	4
217634	Total_Formal_Charge	0
77998	Hydrogen_Bond_Donor_Count	3
228289	Hydrogen_Bond_Donor_Count	0
135977933	Isotope_Atom_Count	1
43002	Hydrogen_Bond_Donor_Count	1
54130	Mono_Isotopic_Weight	260.152477885
14643618	Hydrogen_Bond_Acceptor_Count	2
73166146	Non-hydrogen_Atom_Count	7
79316	Total_Formal_Charge	0
5798	Exact_Mass	118.053098200
100978766	Defined_Bond_Stereo_Count	0
2756534	Defined_Bond_Stereo_Count	0
80487728	Molecular_Weight	114.11
5401	XLogP3	1.4
81476	Undefined_Atom_Stereo_Count	0
135297777	TPSA	39.2
5365773	Defined_Atom_Stereo_Count	0
5288365	Structure_Complexity	335
10252	Defined_Bond_Stereo_Count	0
88336	Hydrogen_Bond_Donor_Count	1
446257	Defined_Atom_Stereo_Count	0
6554	Hydrogen_Bond_Acceptor_Count	0
15983550	Exact_Mass	467.21686904
17318	TPSA	54
5651	Structure_Complexity	2960
44570384	Total_Formal_Charge	0
606	Total_Formal_Charge	0
107807	Hydrogen_Bond_Donor_Count	2
11218470	Hydrogen_Bond_Acceptor_Count	3
96198	Tautomer_Count	1
439231	Undefined_Bond_Stereo_Count	0
86017	Hydrogen_Bond_Acceptor_Count	4
7595	Hydrogen_Bond_Acceptor_Count	1
68530	Molecular_Weight	156.55
54688683	Hydrogen_Bond_Donor_Count	9
23689317	Rotatable_Bond_Count	3
154914	Undefined_Atom_Stereo_Count	0
44571224	Hydrogen_Bond_Acceptor_Count	8
83644	Undefined_Bond_Stereo_Count	0
12150	Mono_Isotopic_Weight	138.068079557
262612	TPSA	37.3
9870843	Molecular_Weight	506.6
9832136	Undefined_Atom_Stereo_Count	0
129651417	Rotatable_Bond_Count	0
158403	Defined_Atom_Stereo_Count	0
23665728	Defined_Atom_Stereo_Count	0
19526	Hydrogen_Bond_Acceptor_Count	2
71306415	TPSA	210
11569967	Rotatable_Bond_Count	6
28961	Rotatable_Bond_Count	0
138137	Hydrogen_Bond_Acceptor_Count	0
5878	Molecular_Weight	306.4
11170934	XLogP3-AA	0.7
27492	Defined_Bond_Stereo_Count	0
73675	Rotatable_Bond_Count	4
1707	Defined_Atom_Stereo_Count	0
149229	Structure_Complexity	130
6787	Covalent_Unit_Count	1
16307	Undefined_Atom_Stereo_Count	0
10953453	Non-hydrogen_Atom_Count	8
11494412	Defined_Atom_Stereo_Count	2
33653	Mono_Isotopic_Weight	278.1073575
60196344	Structure_Complexity	773
138117	Covalent_Unit_Count	1
136871	Defined_Atom_Stereo_Count	0
6784	Defined_Atom_Stereo_Count	0
72165228	Undefined_Bond_Stereo_Count	0
20038	Hydrogen_Bond_Donor_Count	0
2733749	Undefined_Atom_Stereo_Count	0
12515628	XLogP3-AA	0.9
8944	Structure_Complexity	431
153373905	Total_Formal_Charge	0
12723433	Structure_Complexity	78.6
189821	Defined_Bond_Stereo_Count	0
535856	Hydrogen_Bond_Acceptor_Count	2
480785	Defined_Bond_Stereo_Count	0
6918178	Undefined_Atom_Stereo_Count	0
13465027	Structure_Complexity	72.9
23663409	Molecular_Weight	374.16
15568	Defined_Bond_Stereo_Count	0
5323652	Defined_Bond_Stereo_Count	1
8125	Exact_Mass	112.125200510
9601349	Total_Formal_Charge	0
338733	Hydrogen_Bond_Donor_Count	1
65429	Hydrogen_Bond_Acceptor_Count	7
73946427	Rotatable_Bond_Count	6
135589116	Hydrogen_Bond_Donor_Count	3
3230	Defined_Bond_Stereo_Count	0
135424770	Hydrogen_Bond_Donor_Count	1
3828	Undefined_Atom_Stereo_Count	0
127	XLogP3	0.8
1115	Hydrogen_Bond_Donor_Count	8
20387203	Rotatable_Bond_Count	4
121489349	Hydrogen_Bond_Donor_Count	25
129726050	Exact_Mass	512.11299
667468	TPSA	12.5
71463825	Mono_Isotopic_Weight	1201.84136802
144161560	Rotatable_Bond_Count	1
4953	Tautomer_Count	40
13562	Molecular_Weight	103.12
11558904	Total_Formal_Charge	0
42231	Undefined_Bond_Stereo_Count	0
144292374	Defined_Bond_Stereo_Count	0
25953	Defined_Bond_Stereo_Count	0
941102	Exact_Mass	332.0927701
558148	Exact_Mass	98.084398327
10953432	Mono_Isotopic_Weight	98.036779430
135400182	Undefined_Atom_Stereo_Count	0
92394	XLogP3-AA	0.3
13814	Non-hydrogen_Atom_Count	39
334447	Molecular_Weight	227.30
9966051	Mono_Isotopic_Weight	298.15036988
87612217	Hydrogen_Bond_Donor_Count	1
14190	Hydrogen_Bond_Acceptor_Count	8
21610771	Hydrogen_Bond_Donor_Count	1
11196237	Mono_Isotopic_Weight	260.08960285
5365794	Exact_Mass	226.193280068
23432895	Non-hydrogen_Atom_Count	8
12313981	Hydrogen_Bond_Acceptor_Count	19
2495	Hydrogen_Bond_Acceptor_Count	7
3955344	Structure_Complexity	599
130035834	Exact_Mass	100.052429494
4973	Isotope_Atom_Count	0
254656	Covalent_Unit_Count	1
3337411	Defined_Atom_Stereo_Count	0
13352438	Hydrogen_Bond_Acceptor_Count	2
13642201	Hydrogen_Bond_Donor_Count	1
186068	Covalent_Unit_Count	1
61181	Undefined_Bond_Stereo_Count	0
22965786	Rotatable_Bond_Count	0
285897	Total_Formal_Charge	0
102444	Isotope_Atom_Count	0
24896135	Covalent_Unit_Count	1
564864	Mono_Isotopic_Weight	236.9944134
78438	Undefined_Atom_Stereo_Count	0
12216463	Defined_Atom_Stereo_Count	0
67683363	Isotope_Atom_Count	0
15456	Molecular_Weight	275.28
44134379	Molecular_Weight	364.9
37183	Non-hydrogen_Atom_Count	3
10443	Rotatable_Bond_Count	0
29327	Mono_Isotopic_Weight	265.09099983
19842676	Undefined_Atom_Stereo_Count	1
46173707	Covalent_Unit_Count	1
549701	Rotatable_Bond_Count	0
12868192	XLogP3-AA	0.9
6917865	Hydrogen_Bond_Acceptor_Count	5
6857538	Tautomer_Count	1
9664	TPSA	0
9574101	Mono_Isotopic_Weight	473.26381923
74764658	Non-hydrogen_Atom_Count	26
10483883	Total_Formal_Charge	0
5284656	Total_Formal_Charge	0
23581946	Rotatable_Bond_Count	4
54025111	Hydrogen_Bond_Acceptor_Count	2
74278	Defined_Atom_Stereo_Count	0
2292	Total_Formal_Charge	0
2723755	Rotatable_Bond_Count	1
90305308	Undefined_Bond_Stereo_Count	0
5386	Non-hydrogen_Atom_Count	14
18713388	Undefined_Atom_Stereo_Count	0
2942	Structure_Complexity	215
86510	Hydrogen_Bond_Donor_Count	0
529	TPSA	104
92855	Defined_Atom_Stereo_Count	6
1613	Tautomer_Count	1
9843941	Tautomer_Count	1
398675	Hydrogen_Bond_Donor_Count	0
95902	Mono_Isotopic_Weight	286.10659032
11233	Mono_Isotopic_Weight	114.140850574
525785	XLogP3-AA	1.6
5083	Defined_Bond_Stereo_Count	0
11769095	Defined_Bond_Stereo_Count	0
46830239	Rotatable_Bond_Count	3
68675439	Undefined_Atom_Stereo_Count	2
72734520	Undefined_Bond_Stereo_Count	0
11632418	Isotope_Atom_Count	0
16051969	Non-hydrogen_Atom_Count	78
22447183	Isotope_Atom_Count	0
71356656	Defined_Atom_Stereo_Count	0
17045	XLogP3-AA	0.5
22344	Mono_Isotopic_Weight	219.847482
28727	Structure_Complexity	237
36689718	Mono_Isotopic_Weight	117.078978594
2734920	Total_Formal_Charge	0
37247	Non-hydrogen_Atom_Count	15
11560610	Non-hydrogen_Atom_Count	31
149026	Undefined_Atom_Stereo_Count	0
6604796	Rotatable_Bond_Count	2
9832136	Mono_Isotopic_Weight	777.410634
6956	TPSA	86.2
70693585	Rotatable_Bond_Count	6
640753	Rotatable_Bond_Count	2
11442383	Structure_Complexity	640
398579	Exact_Mass	493.16262
3296738	Undefined_Bond_Stereo_Count	0
24950594	Undefined_Bond_Stereo_Count	0
4278	Hydrogen_Bond_Acceptor_Count	2
573744	Hydrogen_Bond_Donor_Count	1
139585898	Defined_Bond_Stereo_Count	3
142798	Structure_Complexity	112
123271707	Undefined_Atom_Stereo_Count	5
25072736	Defined_Bond_Stereo_Count	0
54680660	Mono_Isotopic_Weight	414.26175355
10534635	Structure_Complexity	98.3
163468867	Rotatable_Bond_Count	1
1242	Mono_Isotopic_Weight	255.125928785
81981	Covalent_Unit_Count	1
71311337	Structure_Complexity	8
8449	Isotope_Atom_Count	0
124247	Hydrogen_Bond_Donor_Count	3
159678	Molecular_Weight	324.27
124745612	Total_Formal_Charge	0
95162412	Defined_Bond_Stereo_Count	0
63632	TPSA	131
38310	TPSA	46.3
156323004	Defined_Atom_Stereo_Count	0
55993	Tautomer_Count	1
24408	Total_Formal_Charge	0
40500	Molecular_Weight	395.3
3567233	TPSA	26
64761	Rotatable_Bond_Count	9
6441283	Isotope_Atom_Count	0
89159	Undefined_Bond_Stereo_Count	0
62770	Defined_Bond_Stereo_Count	0
69401251	Mono_Isotopic_Weight	111.068413911
10930	Non-hydrogen_Atom_Count	7
9869877	Undefined_Atom_Stereo_Count	0
436542	XLogP3-AA	3.3
119835	Undefined_Atom_Stereo_Count	5
6100	Undefined_Atom_Stereo_Count	0
89374433	Defined_Bond_Stereo_Count	0
11578610	Rotatable_Bond_Count	4
11194304	Structure_Complexity	72.9
37720	Non-hydrogen_Atom_Count	35
20472034	Structure_Complexity	156
444025	Structure_Complexity	882
19022508	Covalent_Unit_Count	1
4910	TPSA	29.5
57387	XLogP3-AA	2
43838	Isotope_Atom_Count	0
141725394	Exact_Mass	103.063328530
5281794	Defined_Atom_Stereo_Count	0
13805	Hydrogen_Bond_Acceptor_Count	11
115374	Hydrogen_Bond_Donor_Count	1
502272	Non-hydrogen_Atom_Count	24
8424	Structure_Complexity	123
202	Isotope_Atom_Count	0
79096	Hydrogen_Bond_Acceptor_Count	1
71458923	Isotope_Atom_Count	0
85960	Hydrogen_Bond_Acceptor_Count	4
134687950	TPSA	173
9971	Covalent_Unit_Count	1
8266	Molecular_Weight	388.8
12765	Non-hydrogen_Atom_Count	9
20849243	Structure_Complexity	223
5320547	Mono_Isotopic_Weight	296.307915895
3956708	Covalent_Unit_Count	1
11206059	Rotatable_Bond_Count	4
11315446	Exact_Mass	396.20738760
57734486	Hydrogen_Bond_Donor_Count	3
31703	Covalent_Unit_Count	1
50925541	Mono_Isotopic_Weight	405.1277759
7714	Hydrogen_Bond_Donor_Count	0
44414728	Molecular_Weight	380.8
103687	Tautomer_Count	1
56890	Hydrogen_Bond_Donor_Count	0
66908038	Covalent_Unit_Count	1
6444186	Undefined_Atom_Stereo_Count	2
252372	Defined_Bond_Stereo_Count	0
201453	Non-hydrogen_Atom_Count	11
13721	Undefined_Bond_Stereo_Count	0
13374320	Undefined_Atom_Stereo_Count	1
93285	Isotope_Atom_Count	0
13724272	Isotope_Atom_Count	0
20729526	Total_Formal_Charge	0
3084667	Non-hydrogen_Atom_Count	22
5736	Undefined_Bond_Stereo_Count	0
127909	Covalent_Unit_Count	1
450601	Undefined_Atom_Stereo_Count	0
4687	Defined_Atom_Stereo_Count	0
141076555	Exact_Mass	99.068413911
60594	Covalent_Unit_Count	1
181287	XLogP3-AA	1.3
8546	Non-hydrogen_Atom_Count	29
9906028	Defined_Atom_Stereo_Count	1
6437877	Undefined_Bond_Stereo_Count	0
44629601	Defined_Atom_Stereo_Count	2
136430	Defined_Bond_Stereo_Count	0
67832	Hydrogen_Bond_Donor_Count	0
6991	Structure_Complexity	153
13204363	Non-hydrogen_Atom_Count	6
5324720	Tautomer_Count	3
18712663	Hydrogen_Bond_Donor_Count	1
20207	Defined_Atom_Stereo_Count	0
92839	Total_Formal_Charge	0
26758	Molecular_Weight	223.74
2051	Mono_Isotopic_Weight	315.0774544
53766125	Molecular_Weight	117.10
6429029	XLogP3-AA	0.8
10772937	Isotope_Atom_Count	0
31260	Undefined_Bond_Stereo_Count	0
20477345	Defined_Atom_Stereo_Count	0
202877	Exact_Mass	256.0240655
145188444	Molecular_Weight	114.15
18635	Molecular_Weight	104.17
66727	Tautomer_Count	1
2537	Hydrogen_Bond_Acceptor_Count	1
1465	Isotope_Atom_Count	0
24287	Structure_Complexity	19.1
2051	Undefined_Bond_Stereo_Count	0
481	Undefined_Atom_Stereo_Count	3
567743	Rotatable_Bond_Count	4
21579141	Total_Formal_Charge	0
22833454	Covalent_Unit_Count	1
3032818	Covalent_Unit_Count	1
6420096	Total_Formal_Charge	0
4996851	Mono_Isotopic_Weight	190.00866719
7114	Rotatable_Bond_Count	1
93285	Defined_Bond_Stereo_Count	0
69347707	Defined_Atom_Stereo_Count	0
5352543	Rotatable_Bond_Count	9
97824	Molecular_Weight	159.23
25600	Exact_Mass	193.05613515
411817	Mono_Isotopic_Weight	282.1498911
3054	Rotatable_Bond_Count	4
712421	TPSA	63.3
122361564	Tautomer_Count	15
12321786	Undefined_Bond_Stereo_Count	0
22054419	TPSA	34.9
141959525	Hydrogen_Bond_Donor_Count	1
46911863	Molecular_Weight	377.3
134688691	Total_Formal_Charge	0
11692123	Hydrogen_Bond_Acceptor_Count	8
23757	Covalent_Unit_Count	1
53466061	Structure_Complexity	650
78408892	TPSA	49.7
68947	Defined_Atom_Stereo_Count	6
131704172	Covalent_Unit_Count	2
6918485	Hydrogen_Bond_Acceptor_Count	8
2367	Rotatable_Bond_Count	4
23137	Non-hydrogen_Atom_Count	13
117273842	Defined_Atom_Stereo_Count	0
62705690	Covalent_Unit_Count	1
49865963	Hydrogen_Bond_Donor_Count	4
102565432	Total_Formal_Charge	0
742	Total_Formal_Charge	0
10404073	Undefined_Atom_Stereo_Count	0
119202	Molecular_Weight	388.5
11538455	Structure_Complexity	533
445461	Total_Formal_Charge	0
62330	Molecular_Weight	380.4
9661	Molecular_Weight	181.23
448965	Undefined_Atom_Stereo_Count	0
15066029	TPSA	18.5
148673	Structure_Complexity	601
10224595	Defined_Bond_Stereo_Count	0
73672	Covalent_Unit_Count	1
3742	Rotatable_Bond_Count	10
145562	Undefined_Bond_Stereo_Count	0
12375	Covalent_Unit_Count	1
37901	Structure_Complexity	520
30199	Non-hydrogen_Atom_Count	12
4671	Isotope_Atom_Count	0
796414	Molecular_Weight	276.37
53393738	Molecular_Weight	266.0
261000	Tautomer_Count	13
23974	Molecular_Weight	140.116
24868270	Undefined_Atom_Stereo_Count	0
31307	Molecular_Weight	394.4
413742	Covalent_Unit_Count	1
798	TPSA	15.8
8713	Total_Formal_Charge	0
18728307	Non-hydrogen_Atom_Count	7
54130	Molecular_Weight	260.33
58936	Exact_Mass	289.1345753
60198	Undefined_Atom_Stereo_Count	0
78979	XLogP3-AA	3
6398764	Undefined_Atom_Stereo_Count	0
56020	Covalent_Unit_Count	1
1245	Covalent_Unit_Count	1
4526530	Hydrogen_Bond_Acceptor_Count	3
159738	Rotatable_Bond_Count	2
101148	Mono_Isotopic_Weight	152.083729621
3706	Defined_Atom_Stereo_Count	0
40894	Hydrogen_Bond_Acceptor_Count	1
135425186	Rotatable_Bond_Count	2
146468	Non-hydrogen_Atom_Count	14
90408860	Isotope_Atom_Count	0
16219010	Molecular_Weight	385.8
91649	Tautomer_Count	2
13050	TPSA	46.5
183797	Structure_Complexity	671
153874923	Mono_Isotopic_Weight	113.084063974
2444	Structure_Complexity	258
18616052	Hydrogen_Bond_Donor_Count	2
59899303	TPSA	36
300166	Total_Formal_Charge	0
2618	Mono_Isotopic_Weight	454.03001448
22320975	Undefined_Bond_Stereo_Count	0
57163928	Defined_Atom_Stereo_Count	0
137268	Defined_Bond_Stereo_Count	0
11596983	XLogP3-AA	4.4
443971	Mono_Isotopic_Weight	216.05108644
12302654	Undefined_Bond_Stereo_Count	0
12336279	Defined_Atom_Stereo_Count	0
86138	Mono_Isotopic_Weight	336.1141743
135332658	Total_Formal_Charge	0
19830152	Molecular_Weight	84.07
54015928	Mono_Isotopic_Weight	97.052763847
5319422	Undefined_Bond_Stereo_Count	0
65407	Hydrogen_Bond_Donor_Count	3
90408860	Hydrogen_Bond_Donor_Count	0
49853967	Structure_Complexity	617
13224	XLogP3	2.3
69401251	Undefined_Bond_Stereo_Count	0
126505488	Hydrogen_Bond_Acceptor_Count	5
24864721	Rotatable_Bond_Count	9
1980	Total_Formal_Charge	0
129628397	Undefined_Bond_Stereo_Count	0
52942447	XLogP3-AA	4.4
32756	Tautomer_Count	2
398640	Undefined_Atom_Stereo_Count	0
5287	Undefined_Bond_Stereo_Count	5
64154	Isotope_Atom_Count	0
11338127	Defined_Bond_Stereo_Count	0
8644	Exact_Mass	405.19163936
41536	Hydrogen_Bond_Acceptor_Count	4
687906	TPSA	69.6
6324599	TPSA	159
3570	Mono_Isotopic_Weight	353.116426730
5663	Covalent_Unit_Count	1
10799	Hydrogen_Bond_Acceptor_Count	6
5488186	Hydrogen_Bond_Acceptor_Count	4
53316380	Structure_Complexity	380
16280	Isotope_Atom_Count	0
25166913	Isotope_Atom_Count	0
518760	Non-hydrogen_Atom_Count	7
480785	Rotatable_Bond_Count	5
20702319	Structure_Complexity	111
6518	Rotatable_Bond_Count	8
19782023	Molecular_Weight	86.14
809629	Mono_Isotopic_Weight	321.04710720
53319416	Defined_Bond_Stereo_Count	0
12740771	Exact_Mass	78.0469501914
129146	Hydrogen_Bond_Donor_Count	2
102521938	Mono_Isotopic_Weight	418.30830982
427	Defined_Atom_Stereo_Count	0
9601349	Isotope_Atom_Count	0
33838	Mono_Isotopic_Weight	240.968878
25110841	Covalent_Unit_Count	1
255680	Molecular_Weight	191.18
13469007	Mono_Isotopic_Weight	115.026943022
38253	Non-hydrogen_Atom_Count	17
15122	Defined_Bond_Stereo_Count	0
5458993	Exact_Mass	332.12598835
53808	Undefined_Bond_Stereo_Count	0
12266	Exact_Mass	96.057514874
17092	Undefined_Atom_Stereo_Count	0
5281912	Non-hydrogen_Atom_Count	24
79003661	Rotatable_Bond_Count	2
2733525	Hydrogen_Bond_Donor_Count	4
10679	Hydrogen_Bond_Donor_Count	2
53846435	Defined_Bond_Stereo_Count	0
4744464	XLogP3-AA	1.7
1116	Defined_Atom_Stereo_Count	0
20349001	Structure_Complexity	88
49866505	TPSA	84.5
6880	XLogP3	1.9
129229305	Undefined_Bond_Stereo_Count	0
165971	Structure_Complexity	0
57384039	Isotope_Atom_Count	0
9910975	Structure_Complexity	544
10866282	Undefined_Bond_Stereo_Count	0
445678	Molecular_Weight	148.20
246916	Non-hydrogen_Atom_Count	7
51049607	Undefined_Atom_Stereo_Count	0
10133975	Non-hydrogen_Atom_Count	28
9548687	Total_Formal_Charge	0
534552	Non-hydrogen_Atom_Count	16
11651149	Covalent_Unit_Count	1
117899707	Structure_Complexity	74.6
41545	Rotatable_Bond_Count	5
94350	Structure_Complexity	1480
64061	Undefined_Bond_Stereo_Count	0
12201383	Defined_Atom_Stereo_Count	0
25015463	Mono_Isotopic_Weight	521.31143813
12661198	Rotatable_Bond_Count	1
26108	Non-hydrogen_Atom_Count	17
110373	Mono_Isotopic_Weight	114.068079557
139595130	Exact_Mass	527.23263824
77991437	Defined_Atom_Stereo_Count	0
99858	Hydrogen_Bond_Donor_Count	1
10103148	Hydrogen_Bond_Donor_Count	1
11553983	Rotatable_Bond_Count	5
10351656	Hydrogen_Bond_Acceptor_Count	2
154911	Mono_Isotopic_Weight	247.9845081
7289	Mono_Isotopic_Weight	127.9795702
102242609	Non-hydrogen_Atom_Count	24
431751	Defined_Atom_Stereo_Count	0
57621	TPSA	49.2
25422	Defined_Atom_Stereo_Count	0
9916237	Non-hydrogen_Atom_Count	22
136333	Non-hydrogen_Atom_Count	5
12399560	Total_Formal_Charge	0
2863	Undefined_Bond_Stereo_Count	0
15284838	Non-hydrogen_Atom_Count	12
44531649	Covalent_Unit_Count	1
6277	Undefined_Bond_Stereo_Count	0
76356	Hydrogen_Bond_Donor_Count	1
57384039	Defined_Bond_Stereo_Count	0
16133838	Structure_Complexity	6820
35687	Tautomer_Count	1
54231313	Molecular_Weight	99.09
12372	Molecular_Weight	111.18
96604	Mono_Isotopic_Weight	296.13069707
994872	Rotatable_Bond_Count	8
135544137	Exact_Mass	471.10349652
15205080	TPSA	44
86171	Defined_Atom_Stereo_Count	0
520108	Tautomer_Count	2
13757192	Rotatable_Bond_Count	2
4329	Mono_Isotopic_Weight	638.21838516
6887	XLogP3-AA	4.4
123228414	Hydrogen_Bond_Donor_Count	1
13786729	Non-hydrogen_Atom_Count	8
12074193	Rotatable_Bond_Count	6
927764	Mono_Isotopic_Weight	256.18992602
94987	Tautomer_Count	1
11366	Non-hydrogen_Atom_Count	27
5256168	Tautomer_Count	1
20336998	Structure_Complexity	41.4
9908927	XLogP3-AA	5
137955303	Mono_Isotopic_Weight	109.052763847
4850	Covalent_Unit_Count	1
5361848	Molecular_Weight	383.4
145562	Defined_Atom_Stereo_Count	0
53323370	Non-hydrogen_Atom_Count	34
11412777	Hydrogen_Bond_Donor_Count	0
75477	Exact_Mass	230.15180918
71457280	Tautomer_Count	32
76507	Hydrogen_Bond_Acceptor_Count	3
69610	Structure_Complexity	64
165105	Molecular_Weight	178.14
9859	Isotope_Atom_Count	0
3170	Hydrogen_Bond_Donor_Count	0
129651092	Exact_Mass	551.0560847
6452618	Rotatable_Bond_Count	8
49426	Covalent_Unit_Count	2
643833	Total_Formal_Charge	0
11040682	Defined_Bond_Stereo_Count	0
139064002	Covalent_Unit_Count	4
11268547	XLogP3-AA	3.4
154169739	XLogP3-AA	2.3
11181836	Non-hydrogen_Atom_Count	48
31368	Structure_Complexity	83.1
2370	Hydrogen_Bond_Acceptor_Count	2
88875	Hydrogen_Bond_Donor_Count	0
14949211	Rotatable_Bond_Count	0
57399614	TPSA	105
16351	Covalent_Unit_Count	1
6604876	Covalent_Unit_Count	1
22481042	Isotope_Atom_Count	0
66565	Defined_Atom_Stereo_Count	0
317883	Mono_Isotopic_Weight	378.08518617
9867361	Covalent_Unit_Count	1
144161560	Exact_Mass	97.052763847
882533	Hydrogen_Bond_Donor_Count	0
5489948	Defined_Atom_Stereo_Count	2
9549303	Defined_Bond_Stereo_Count	0
3020188	Tautomer_Count	3
2734117	Non-hydrogen_Atom_Count	34
3486729	Total_Formal_Charge	0
62274	Rotatable_Bond_Count	0
72048	Tautomer_Count	1
37720	Covalent_Unit_Count	1
57825229	Non-hydrogen_Atom_Count	26
56738	Covalent_Unit_Count	1
9823293	Isotope_Atom_Count	0
119195	Hydrogen_Bond_Donor_Count	1
601293	Rotatable_Bond_Count	1
138195	Mono_Isotopic_Weight	126.068079557
16760577	Defined_Bond_Stereo_Count	0
3015009	Exact_Mass	34.99554627
28759	Undefined_Bond_Stereo_Count	0
143075695	Non-hydrogen_Atom_Count	7
37393	Isotope_Atom_Count	0
5289143	Rotatable_Bond_Count	24
223	Undefined_Bond_Stereo_Count	0
5311066	Molecular_Weight	416.5
6432238	Undefined_Atom_Stereo_Count	0
146156358	Defined_Bond_Stereo_Count	0
91274	Undefined_Atom_Stereo_Count	0
449015	Isotope_Atom_Count	0
69158971	Defined_Bond_Stereo_Count	0
694358	Mono_Isotopic_Weight	320.0208685
6293	Mono_Isotopic_Weight	240.04225873
13432443	Isotope_Atom_Count	0
13469816	Rotatable_Bond_Count	1
124069	Total_Formal_Charge	0
23525993	Hydrogen_Bond_Donor_Count	1
155893809	Defined_Bond_Stereo_Count	0
2223	Defined_Bond_Stereo_Count	0
20470206	Mono_Isotopic_Weight	108.093900383
25758	Hydrogen_Bond_Donor_Count	1
55297293	Molecular_Weight	98.14
21150622	Structure_Complexity	545
4205037	Mono_Isotopic_Weight	293.17865558
170234	Defined_Bond_Stereo_Count	0
139352	Total_Formal_Charge	0
15050	Molecular_Weight	120.15
9912474	Total_Formal_Charge	0
25134692	Isotope_Atom_Count	0
5281034	Exact_Mass	332.23514488
9971980	Total_Formal_Charge	0
24776149	Defined_Bond_Stereo_Count	0
68068812	Total_Formal_Charge	0
3019670	Rotatable_Bond_Count	2
74889149	Defined_Bond_Stereo_Count	0
6437841	XLogP3-AA	6.1
142059572	XLogP3-AA	1.5
8617	XLogP3	2.3
88332	Isotope_Atom_Count	0
64865	Exact_Mass	292.215078140
13664903	Undefined_Atom_Stereo_Count	1
68947	Isotope_Atom_Count	0
15256327	Covalent_Unit_Count	1
687046	Undefined_Bond_Stereo_Count	0
54567078	Exact_Mass	101.084063974
637552	Hydrogen_Bond_Acceptor_Count	4
56843466	TPSA	132
24533	Non-hydrogen_Atom_Count	2
71449989	Structure_Complexity	505
54693768	Undefined_Atom_Stereo_Count	2
145994360	Undefined_Atom_Stereo_Count	0
22081700	Hydrogen_Bond_Donor_Count	1
55284046	Hydrogen_Bond_Acceptor_Count	2
517045	Undefined_Bond_Stereo_Count	0
2193	XLogP3	2.7
3595	Molecular_Weight	388.5
494	Covalent_Unit_Count	1
192706	Hydrogen_Bond_Donor_Count	1
9794218	Undefined_Bond_Stereo_Count	0
5962	Covalent_Unit_Count	1
1261	Mono_Isotopic_Weight	327.1278028
3033988	Undefined_Atom_Stereo_Count	0
118209567	Covalent_Unit_Count	1
10477191	Defined_Bond_Stereo_Count	0
64709	Undefined_Bond_Stereo_Count	0
54572793	TPSA	45.1
140377273	Undefined_Atom_Stereo_Count	0
44349928	Structure_Complexity	251
22227744	Molecular_Weight	161.23
43515	Total_Formal_Charge	0
22836366	Non-hydrogen_Atom_Count	12
54385	TPSA	64.3
3289	Molecular_Weight	242.3
54120934	Isotope_Atom_Count	0
10967	Tautomer_Count	1
5486182	Hydrogen_Bond_Acceptor_Count	12
11356283	Mono_Isotopic_Weight	211.08445790
76035516	Defined_Bond_Stereo_Count	0
70	Molecular_Weight	130.14
7029	Structure_Complexity	193
82418959	Mono_Isotopic_Weight	115.038176411
6553	Hydrogen_Bond_Donor_Count	0
78324	Defined_Bond_Stereo_Count	0
73918	Molecular_Weight	154.25
136507	Mono_Isotopic_Weight	108.057514874
216294	Exact_Mass	452.21720340
18137	Structure_Complexity	134
11469444	Rotatable_Bond_Count	1
91501507	Exact_Mass	110.109550447
124723	Hydrogen_Bond_Acceptor_Count	3
37367	Rotatable_Bond_Count	3
70702000	Isotope_Atom_Count	0
13647	Undefined_Atom_Stereo_Count	0
3001376	Rotatable_Bond_Count	13
34789	TPSA	12.5
9855476	Defined_Atom_Stereo_Count	0
78961	Hydrogen_Bond_Acceptor_Count	0
521928	Non-hydrogen_Atom_Count	24
13118	Exact_Mass	360.08183212
625661	Structure_Complexity	384
78014	Total_Formal_Charge	0
152199271	Hydrogen_Bond_Donor_Count	0
123641140	Defined_Atom_Stereo_Count	0
86965	Exact_Mass	165.078978594
21684469	Defined_Atom_Stereo_Count	0
21914607	Exact_Mass	99.104799419
591	Hydrogen_Bond_Acceptor_Count	22
69808	Isotope_Atom_Count	0
94190	Undefined_Atom_Stereo_Count	0
12647544	Hydrogen_Bond_Acceptor_Count	2
47318	Hydrogen_Bond_Acceptor_Count	5
118719297	Covalent_Unit_Count	1
5481173	Hydrogen_Bond_Donor_Count	3
77720	Isotope_Atom_Count	0
87060437	Structure_Complexity	688
53806232	Non-hydrogen_Atom_Count	7
3073200	Molecular_Weight	246.21
21285	Isotope_Atom_Count	0
5935	Mono_Isotopic_Weight	191.003532
544380	Rotatable_Bond_Count	1
16217	XLogP3	6.4
139190714	Undefined_Atom_Stereo_Count	0
101883476	Mono_Isotopic_Weight	364.22497412
119307	Undefined_Bond_Stereo_Count	0
11740218	Total_Formal_Charge	0
317678	Non-hydrogen_Atom_Count	7
9945927	Exact_Mass	341.11756954
90891909	Hydrogen_Bond_Acceptor_Count	1
45380791	Defined_Atom_Stereo_Count	0
16490	Undefined_Atom_Stereo_Count	0
8005	Undefined_Bond_Stereo_Count	0
73919	Hydrogen_Bond_Donor_Count	4
82313	Covalent_Unit_Count	1
74764517	Structure_Complexity	537
10582773	Rotatable_Bond_Count	3
107901	Undefined_Atom_Stereo_Count	0
21908797	Total_Formal_Charge	0
1740	Molecular_Weight	187.08
5047209	XLogP3-AA	0.5
137572	Defined_Bond_Stereo_Count	0
5372174	Covalent_Unit_Count	1
643327	TPSA	57.5
9957217	Structure_Complexity	629
431631	Molecular_Weight	100.12
126011	Non-hydrogen_Atom_Count	28
11957696	Undefined_Bond_Stereo_Count	0
4235600	Isotope_Atom_Count	0
20442	TPSA	156
1325	Isotope_Atom_Count	0
4034	Structure_Complexity	448
2021	Defined_Bond_Stereo_Count	0
9287	Rotatable_Bond_Count	2
30856	Undefined_Atom_Stereo_Count	0
149096	Hydrogen_Bond_Acceptor_Count	8
32169	TPSA	95.7
90488794	Undefined_Bond_Stereo_Count	0
144686955	TPSA	190
6478	Molecular_Weight	272.8
3739	Total_Formal_Charge	0
2783443	Rotatable_Bond_Count	0
9549326	Hydrogen_Bond_Acceptor_Count	22
12932	Rotatable_Bond_Count	10
54338696	Mono_Isotopic_Weight	90.0469501914
8567	Tautomer_Count	1
24434	Undefined_Bond_Stereo_Count	0
7355	XLogP3-AA	1.9
60196352	Undefined_Bond_Stereo_Count	0
433956	Undefined_Atom_Stereo_Count	2
12570	Structure_Complexity	90.7
12581088	Covalent_Unit_Count	1
56846509	Hydrogen_Bond_Donor_Count	0
136458760	Covalent_Unit_Count	1
115000	TPSA	61.9
223	Defined_Atom_Stereo_Count	0
5460185	Exact_Mass	298.18791464
156024996	Undefined_Atom_Stereo_Count	0
7156	XLogP3	1.7
441189	Mono_Isotopic_Weight	240.13347377
68402550	Defined_Atom_Stereo_Count	0
107921	Mono_Isotopic_Weight	218.105527694
138128	XLogP3-AA	0.5
21863	Undefined_Bond_Stereo_Count	0
87605	Defined_Atom_Stereo_Count	0
534552	Total_Formal_Charge	0
144813235	Undefined_Bond_Stereo_Count	0
300166	Hydrogen_Bond_Donor_Count	0
62705690	Molecular_Weight	443.4
18603	Mono_Isotopic_Weight	243.87345
50633	Total_Formal_Charge	0
239760	Rotatable_Bond_Count	3
13029	Mono_Isotopic_Weight	170.0318546
92395	Non-hydrogen_Atom_Count	28
11637983	Total_Formal_Charge	0
13764	Mono_Isotopic_Weight	275.05422040
7210	Non-hydrogen_Atom_Count	21
314	Molecular_Weight	323.20
5320547	Covalent_Unit_Count	1
55404	Covalent_Unit_Count	1
101938021	TPSA	46.5
12388	Hydrogen_Bond_Donor_Count	0
8954	Hydrogen_Bond_Donor_Count	2
11587	Rotatable_Bond_Count	2
528612	Covalent_Unit_Count	1
2723	XLogP3	2
12285863	TPSA	110
8783	Covalent_Unit_Count	1
31234	Exact_Mass	136.088815002
6917972	Isotope_Atom_Count	0
10130337	Hydrogen_Bond_Acceptor_Count	3
160753	Rotatable_Bond_Count	0
5281888	Defined_Atom_Stereo_Count	0
19985227	Isotope_Atom_Count	0
60336	Defined_Atom_Stereo_Count	0
24096961	Molecular_Weight	324.4
40537360	Total_Formal_Charge	0
292925	Defined_Atom_Stereo_Count	0
220878	Isotope_Atom_Count	0
18048	Covalent_Unit_Count	1
52948146	Hydrogen_Bond_Donor_Count	1
9723	Mono_Isotopic_Weight	278.17427596
49288	Mono_Isotopic_Weight	258.10381361
44272237	Isotope_Atom_Count	0
45120389	Defined_Bond_Stereo_Count	0
10130220	Covalent_Unit_Count	1
99080	Defined_Bond_Stereo_Count	0
520769	Mono_Isotopic_Weight	112.01359920
25335	Exact_Mass	199.157228913
117188816	XLogP3-AA	0.3
91825716	Hydrogen_Bond_Donor_Count	0
135431094	Defined_Bond_Stereo_Count	3
162944617	Exact_Mass	904.44565070
13348002	Hydrogen_Bond_Acceptor_Count	0
439551	Non-hydrogen_Atom_Count	25
3603687	XLogP3-AA	1.1
45238	TPSA	29.5
9848869	TPSA	143
150728341	XLogP3-AA	1.3
517	Undefined_Atom_Stereo_Count	4
12416832	TPSA	122
57401684	Defined_Atom_Stereo_Count	0
77405	Structure_Complexity	327
103565751	Covalent_Unit_Count	1
55007	Hydrogen_Bond_Donor_Count	0
135942119	TPSA	297
13760528	Molecular_Weight	112.17
2733352	Exact_Mass	150.0086696
72200631	XLogP3-AA	3.6
15412	Total_Formal_Charge	0
58935140	Structure_Complexity	79.6
11703161	Covalent_Unit_Count	3
16958	Structure_Complexity	200
67105	Molecular_Weight	116.20
14875988	Rotatable_Bond_Count	1
14453685	Undefined_Atom_Stereo_Count	2
53808	Undefined_Atom_Stereo_Count	0
156080	Undefined_Bond_Stereo_Count	0
261790	Exact_Mass	867.49802062
53077	Defined_Atom_Stereo_Count	2
5361043	XLogP3-AA	2.2
79772	Tautomer_Count	2
119904	Exact_Mass	231.851285
54537	Undefined_Bond_Stereo_Count	0
95763	Exact_Mass	245.0065981
21482444	Defined_Bond_Stereo_Count	0
10297065	Mono_Isotopic_Weight	441.06062622
135439051	Structure_Complexity	215
47387	Defined_Atom_Stereo_Count	0
5323977	Non-hydrogen_Atom_Count	8
16642494	Defined_Atom_Stereo_Count	0
626	Molecular_Weight	180.16
836	Hydrogen_Bond_Acceptor_Count	5
140695	Hydrogen_Bond_Donor_Count	0
71661882	Defined_Bond_Stereo_Count	0
17956339	Hydrogen_Bond_Acceptor_Count	8
70685697	Structure_Complexity	491
14962	Defined_Bond_Stereo_Count	0
2099	Non-hydrogen_Atom_Count	22
3038481	Hydrogen_Bond_Donor_Count	1
12708563	Structure_Complexity	62.8
11271	Covalent_Unit_Count	1
11954	Defined_Bond_Stereo_Count	0
661093	Isotope_Atom_Count	0
101042985	TPSA	46.5
3829279	Rotatable_Bond_Count	3
129075411	Undefined_Atom_Stereo_Count	0
69340339	Structure_Complexity	76.8
13463260	Defined_Atom_Stereo_Count	0
67214459	Isotope_Atom_Count	0
10510810	Structure_Complexity	66.3
135440068	Exact_Mass	267.09675391
95162410	Hydrogen_Bond_Acceptor_Count	11
640091	Rotatable_Bond_Count	1
16750094	Structure_Complexity	543
53983207	Hydrogen_Bond_Acceptor_Count	1
32995	Total_Formal_Charge	0
64769	Defined_Bond_Stereo_Count	0
11804701	Undefined_Atom_Stereo_Count	0
17480032	Structure_Complexity	313
3549191	Covalent_Unit_Count	1
70935	Hydrogen_Bond_Donor_Count	2
5920	Undefined_Bond_Stereo_Count	0
265776	TPSA	37.8
139086112	XLogP3-AA	1.7
181138	Exact_Mass	186.115698455
290223	Defined_Atom_Stereo_Count	0
60657	Covalent_Unit_Count	1
80694	Undefined_Bond_Stereo_Count	0
53921772	Rotatable_Bond_Count	1
201	Structure_Complexity	1160
909860	Isotope_Atom_Count	0
53838967	Undefined_Atom_Stereo_Count	0
346327	Defined_Atom_Stereo_Count	0
19995942	Covalent_Unit_Count	1
98148766	Total_Formal_Charge	0
11154925	Defined_Bond_Stereo_Count	0
122173994	Undefined_Atom_Stereo_Count	0
3033825	Rotatable_Bond_Count	3
73648	Molecular_Weight	388.4
152257	Mono_Isotopic_Weight	201.151749610
18347297	Undefined_Atom_Stereo_Count	0
126710233	Structure_Complexity	68.5
125461706	Rotatable_Bond_Count	6
54708748	XLogP3-AA	3.1
417452	Molecular_Weight	823.0
15053	XLogP3-AA	0.8
15106	TPSA	38
10952	Mono_Isotopic_Weight	118.0549280
20728	Undefined_Atom_Stereo_Count	7
71602	Molecular_Weight	179.18
2950966	Hydrogen_Bond_Acceptor_Count	3
90777230	Total_Formal_Charge	0
3224	Isotope_Atom_Count	0
282471	Tautomer_Count	3
126755973	Rotatable_Bond_Count	0
7578	Covalent_Unit_Count	1
24884197	Non-hydrogen_Atom_Count	9
2724588	Isotope_Atom_Count	0
24900424	Hydrogen_Bond_Donor_Count	5
9859094	TPSA	0
9973	Covalent_Unit_Count	1
18475804	Hydrogen_Bond_Donor_Count	0
1910825	Undefined_Atom_Stereo_Count	0
56955285	Hydrogen_Bond_Donor_Count	1
706	Defined_Bond_Stereo_Count	0
15109	Covalent_Unit_Count	1
6413	Covalent_Unit_Count	1
5281727	Molecular_Weight	256.30
18160	Hydrogen_Bond_Donor_Count	0
70662473	Undefined_Bond_Stereo_Count	0
3882	Molecular_Weight	440.7
72106	Molecular_Weight	395.4
132279500	Rotatable_Bond_Count	0
44319	Undefined_Atom_Stereo_Count	0
445114	Tautomer_Count	4
12673	Covalent_Unit_Count	1
46783224	Undefined_Atom_Stereo_Count	4
129834562	Isotope_Atom_Count	0
461	Total_Formal_Charge	0
19756	Molecular_Weight	184.19
12231382	Undefined_Bond_Stereo_Count	0
19428628	Total_Formal_Charge	0
9931	Mono_Isotopic_Weight	305.177964357
124886	Undefined_Atom_Stereo_Count	0
91575456	Defined_Atom_Stereo_Count	0
21843641	Isotope_Atom_Count	0
413538	Total_Formal_Charge	0
520527	Defined_Atom_Stereo_Count	0
139064747	Hydrogen_Bond_Acceptor_Count	4
45588096	Tautomer_Count	1000
5282761	Isotope_Atom_Count	0
57417071	TPSA	115
638793	Exact_Mass	1181.57302551
21460	Total_Formal_Charge	0
139087298	Exact_Mass	255.10414797
536683	Total_Formal_Charge	0
20793292	Hydrogen_Bond_Acceptor_Count	1
23567801	Defined_Atom_Stereo_Count	0
46205733	Non-hydrogen_Atom_Count	42
6366720	Structure_Complexity	365
21650900	Undefined_Atom_Stereo_Count	0
5319249	Undefined_Bond_Stereo_Count	0
87501539	Exact_Mass	107.037113783
6604902	Molecular_Weight	465.9
443958	Defined_Atom_Stereo_Count	8
140905	Structure_Complexity	80.4
53954226	Rotatable_Bond_Count	0
168354	Exact_Mass	134.094294304
61285	Hydrogen_Bond_Acceptor_Count	3
54598431	Rotatable_Bond_Count	0
44284481	Exact_Mass	2491.0220087
65840	Isotope_Atom_Count	0
12803	Molecular_Weight	164.25
13718	Exact_Mass	221.141578849
65501	Defined_Bond_Stereo_Count	0
155970341	Undefined_Bond_Stereo_Count	1
131	Rotatable_Bond_Count	8
53320169	Defined_Bond_Stereo_Count	0
36	Structure_Complexity	186
6433164	Tautomer_Count	1
145705672	Structure_Complexity	784
90202	Tautomer_Count	1
19169	Defined_Atom_Stereo_Count	0
134687034	Total_Formal_Charge	0
60199965	Molecular_Weight	476.5
13159184	Exact_Mass	164.06847348
76337	Defined_Bond_Stereo_Count	0
15516956	Total_Formal_Charge	0
10005402	Exact_Mass	480.1034322
124708040	Hydrogen_Bond_Acceptor_Count	11
53839028	Non-hydrogen_Atom_Count	7
57394708	Molecular_Weight	459.5
2433	Structure_Complexity	1910
13924394	Defined_Atom_Stereo_Count	0
5192	Undefined_Bond_Stereo_Count	0
101176453	Total_Formal_Charge	0
10023121	Defined_Atom_Stereo_Count	0
71406	XLogP3-AA	9.9
66708	Hydrogen_Bond_Acceptor_Count	2
60196333	TPSA	24.9
78352	Total_Formal_Charge	0
71679	TPSA	83.2
56955185	Defined_Atom_Stereo_Count	0
36217	TPSA	179
15950376	Covalent_Unit_Count	1
10942665	Exact_Mass	154.062994177
72921	Exact_Mass	123.068413911
8562	Isotope_Atom_Count	0
6604902	Defined_Bond_Stereo_Count	0
254021	Undefined_Bond_Stereo_Count	0
13373005	Molecular_Weight	434.4
58153375	Non-hydrogen_Atom_Count	6
41114	Total_Formal_Charge	0
2756396	Structure_Complexity	58.3
60196420	Rotatable_Bond_Count	0
125368	Hydrogen_Bond_Acceptor_Count	2
54479104	Defined_Atom_Stereo_Count	0
430245	Isotope_Atom_Count	0
154202106	Hydrogen_Bond_Acceptor_Count	4
69301	TPSA	27.7
10071747	Rotatable_Bond_Count	7
5281616	Rotatable_Bond_Count	1
68986097	Mono_Isotopic_Weight	766.33349644
3081386	Molecular_Weight	679.5
10072851	Structure_Complexity	731
9732	Covalent_Unit_Count	1
13068894	TPSA	17.1
703965	Covalent_Unit_Count	1
10378	Exact_Mass	165.042593085
3859613	TPSA	78
118209675	XLogP3-AA	0.2
3745420	Covalent_Unit_Count	1
14119	Hydrogen_Bond_Donor_Count	1
23994	Undefined_Atom_Stereo_Count	0
21027022	Defined_Bond_Stereo_Count	0
22024814	Isotope_Atom_Count	0
447835	XLogP3	4.3
12500872	Hydrogen_Bond_Acceptor_Count	1
12868288	Undefined_Atom_Stereo_Count	2
56218	Molecular_Weight	184.28
24733	Non-hydrogen_Atom_Count	28
20617585	Non-hydrogen_Atom_Count	7
7213679	Structure_Complexity	820
184366	Isotope_Atom_Count	0
4111803	Structure_Complexity	48.1
9141	Hydrogen_Bond_Acceptor_Count	1
33498	Isotope_Atom_Count	0
90753032	Undefined_Bond_Stereo_Count	0
6971007	Hydrogen_Bond_Acceptor_Count	6
153852218	XLogP3-AA	0
639420	Undefined_Bond_Stereo_Count	0
65647	Molecular_Weight	487.4
44453028	Covalent_Unit_Count	2
23663397	Molecular_Weight	541.6
256539	Covalent_Unit_Count	1
96402	XLogP3	5.2
134925337	Total_Formal_Charge	0
8748	Molecular_Weight	154.25
10993649	XLogP3-AA	1.1
9548637	Structure_Complexity	496
548769	Mono_Isotopic_Weight	93.032697108
84682	Defined_Bond_Stereo_Count	0
133119249	Defined_Atom_Stereo_Count	5
12236733	Defined_Bond_Stereo_Count	0
985126	Covalent_Unit_Count	1
124247	Defined_Bond_Stereo_Count	0
138971	Hydrogen_Bond_Donor_Count	0
3080938	XLogP3-AA	17.3
84647665	Structure_Complexity	134
24715	Isotope_Atom_Count	0
28532	Exact_Mass	163.038176411
446080	Isotope_Atom_Count	0
6918637	Undefined_Atom_Stereo_Count	0
10301884	XLogP3-AA	5.1
114129	Non-hydrogen_Atom_Count	10
55264361	Total_Formal_Charge	0
15605556	Total_Formal_Charge	0
14654469	Mono_Isotopic_Weight	105.078978594
439368	Mono_Isotopic_Weight	130.062994177
5311167	Total_Formal_Charge	0
2822	Undefined_Bond_Stereo_Count	0
5442	Rotatable_Bond_Count	0
5351447	TPSA	124
24196	Defined_Bond_Stereo_Count	0
407	Covalent_Unit_Count	1
71072118	Undefined_Atom_Stereo_Count	0
12246933	Hydrogen_Bond_Acceptor_Count	3
72210	Defined_Atom_Stereo_Count	3
12546243	Undefined_Atom_Stereo_Count	0
2761399	Hydrogen_Bond_Donor_Count	1
17277	Undefined_Atom_Stereo_Count	0
57369982	Molecular_Weight	301.25
441328	Undefined_Atom_Stereo_Count	0
94011387	Undefined_Bond_Stereo_Count	0
2087	Total_Formal_Charge	0
8005	Undefined_Atom_Stereo_Count	0
15820874	Rotatable_Bond_Count	4
145731381	TPSA	240
65637	Undefined_Atom_Stereo_Count	0
10051341	Isotope_Atom_Count	0
440274	Undefined_Atom_Stereo_Count	0
81831	Defined_Bond_Stereo_Count	0
4668	TPSA	37.3
11959	Mono_Isotopic_Weight	149.084063974
3613700	Molecular_Weight	204.05
5282251	Mono_Isotopic_Weight	429.97768687
140409	Defined_Atom_Stereo_Count	0
45227	Isotope_Atom_Count	0
7516	Defined_Bond_Stereo_Count	0
77213	Isotope_Atom_Count	0
54064807	TPSA	17.1
83403	Total_Formal_Charge	0
57082085	Defined_Atom_Stereo_Count	0
13329881	Undefined_Atom_Stereo_Count	2
13798887	Defined_Atom_Stereo_Count	3
449355	Hydrogen_Bond_Donor_Count	3
57358854	Exact_Mass	295.09245548
101987	Rotatable_Bond_Count	4
193653	Defined_Atom_Stereo_Count	1
11189402	Isotope_Atom_Count	0
94398	Defined_Atom_Stereo_Count	0
5284656	Non-hydrogen_Atom_Count	13
72002	XLogP3-AA	4.7
12660241	Isotope_Atom_Count	0
657237	Mono_Isotopic_Weight	285.08733204
47445	Defined_Bond_Stereo_Count	0
118797610	Rotatable_Bond_Count	1
9320	Exact_Mass	418.35758248
6917983	Molecular_Weight	822.9
155491233	Hydrogen_Bond_Acceptor_Count	8
161729	Total_Formal_Charge	0
86222	Undefined_Atom_Stereo_Count	1
33251	Hydrogen_Bond_Donor_Count	0
58143010	Undefined_Atom_Stereo_Count	0
55434	Undefined_Atom_Stereo_Count	1
452521	Rotatable_Bond_Count	10
91857355	Non-hydrogen_Atom_Count	23
60184	Molecular_Weight	368.5
86100	Hydrogen_Bond_Acceptor_Count	8
4336361	Non-hydrogen_Atom_Count	22
123919	Rotatable_Bond_Count	0
70807	TPSA	75.2
18137	Exact_Mass	198.07122084
83053	Non-hydrogen_Atom_Count	15
9806615	Undefined_Bond_Stereo_Count	0
69833	TPSA	20.2
9796154	Mono_Isotopic_Weight	294.19434270
33251	Defined_Bond_Stereo_Count	0
58654632	Structure_Complexity	32.9
54054	Total_Formal_Charge	0
14221	Hydrogen_Bond_Acceptor_Count	1
33557	Defined_Bond_Stereo_Count	0
12563179	Covalent_Unit_Count	1
23831	Undefined_Bond_Stereo_Count	0
13007516	Covalent_Unit_Count	1
50962	Tautomer_Count	5
91739	Mono_Isotopic_Weight	240.9697338
117683867	Rotatable_Bond_Count	6
9210	Undefined_Bond_Stereo_Count	0
13795008	Exact_Mass	97.052763847
87476740	Undefined_Atom_Stereo_Count	0
60168097	Defined_Bond_Stereo_Count	0
135491830	Mono_Isotopic_Weight	327.18681496
8177	Total_Formal_Charge	0
61534	Hydrogen_Bond_Acceptor_Count	2
44578537	Molecular_Weight	336.4
158815	Exact_Mass	165.115364102
810	TPSA	389
5881176	Mono_Isotopic_Weight	1062.1330477
36660	Total_Formal_Charge	0
444865	Isotope_Atom_Count	0
20708	Defined_Bond_Stereo_Count	0
86592	Non-hydrogen_Atom_Count	10
3356	Total_Formal_Charge	0
17963334	Molecular_Weight	526.5
62484	Covalent_Unit_Count	1
85988	Mono_Isotopic_Weight	172.08479225
4437320	Undefined_Bond_Stereo_Count	0
140159201	Structure_Complexity	52
58550573	Undefined_Atom_Stereo_Count	0
409474	Defined_Atom_Stereo_Count	0
137699683	Undefined_Bond_Stereo_Count	0
83648	Hydrogen_Bond_Acceptor_Count	4
657298	Defined_Bond_Stereo_Count	0
8991	Hydrogen_Bond_Donor_Count	1
21122	Mono_Isotopic_Weight	112.125200510
6540478	Defined_Atom_Stereo_Count	6
54272	Non-hydrogen_Atom_Count	23
92174	Defined_Bond_Stereo_Count	0
12705073	Structure_Complexity	116
54136480	Rotatable_Bond_Count	2
36383	Defined_Bond_Stereo_Count	0
54126052	Structure_Complexity	65.1
88239551	Total_Formal_Charge	0
68392349	Exact_Mass	109.089149355
14578458	Structure_Complexity	74.5
398663	Hydrogen_Bond_Acceptor_Count	3
24642	Structure_Complexity	2
518818	Non-hydrogen_Atom_Count	8
138059757	Defined_Atom_Stereo_Count	8
44139752	Structure_Complexity	337
21255899	Isotope_Atom_Count	0
704316	Undefined_Bond_Stereo_Count	1
14651092	TPSA	69.6
4469994	Covalent_Unit_Count	1
91041225	Defined_Bond_Stereo_Count	0
36547	Total_Formal_Charge	0
39424	Covalent_Unit_Count	2
66379	Molecular_Weight	411.36
25271787	XLogP3-AA	0.3
2947	Rotatable_Bond_Count	0
71196	Molecular_Weight	387.5
60196385	Hydrogen_Bond_Donor_Count	0
6950353	Defined_Atom_Stereo_Count	1
12136798	Rotatable_Bond_Count	6
133640201	Defined_Bond_Stereo_Count	1
12359612	Hydrogen_Bond_Acceptor_Count	1
14351762	Defined_Atom_Stereo_Count	0
9847	Exact_Mass	92.04375652
22315763	Covalent_Unit_Count	1
135415794	Defined_Atom_Stereo_Count	4
8263	Undefined_Atom_Stereo_Count	0
7532	Exact_Mass	172.01941529
13794997	Defined_Atom_Stereo_Count	0
24149	Isotope_Atom_Count	0
3371	Defined_Atom_Stereo_Count	0
91393578	Rotatable_Bond_Count	0
6992086	Undefined_Bond_Stereo_Count	0
289149	Covalent_Unit_Count	1
825744	XLogP3-AA	3.6
45266598	Undefined_Atom_Stereo_Count	0
102109	Hydrogen_Bond_Acceptor_Count	1
87237616	Mono_Isotopic_Weight	836.79854718
13947131	Defined_Atom_Stereo_Count	0
74506	Isotope_Atom_Count	0
116047519	Total_Formal_Charge	0
139070837	Non-hydrogen_Atom_Count	24
54682938	Mono_Isotopic_Weight	527.22676502
4517	XLogP3-AA	0.2
133687113	TPSA	62.3
21130160	Rotatable_Bond_Count	2
168870	Exact_Mass	659.29888458
165870	Molecular_Weight	214.22
557495	Covalent_Unit_Count	1
21611	Hydrogen_Bond_Acceptor_Count	2
1570	Mono_Isotopic_Weight	127.00918496
137704528	Molecular_Weight	843.1
47759	Exact_Mass	382.15624311
154091501	Undefined_Bond_Stereo_Count	0
86467	Structure_Complexity	466
25375	Covalent_Unit_Count	1
24839546	Total_Formal_Charge	0
12271349	TPSA	12.5
4808	Defined_Atom_Stereo_Count	0
121877	Total_Formal_Charge	0
17162	XLogP3-AA	2.9
86231890	Defined_Bond_Stereo_Count	0
13685810	Undefined_Atom_Stereo_Count	1
100957201	Isotope_Atom_Count	0
5281771	Structure_Complexity	1230
23696271	Hydrogen_Bond_Donor_Count	1
13760530	Non-hydrogen_Atom_Count	8
31364	Hydrogen_Bond_Acceptor_Count	4
9984374	Isotope_Atom_Count	0
72200865	Mono_Isotopic_Weight	593.31615210
67631	Tautomer_Count	1
4865	Molecular_Weight	414.4
3810	Rotatable_Bond_Count	7
44578649	Rotatable_Bond_Count	7
70003	Non-hydrogen_Atom_Count	12
7646	XLogP3	3
10129911	Undefined_Atom_Stereo_Count	1
9821545	Undefined_Bond_Stereo_Count	0
2348480	Structure_Complexity	439
24424	Undefined_Atom_Stereo_Count	0
23310226	Structure_Complexity	306
25171665	Hydrogen_Bond_Acceptor_Count	9
146158182	Rotatable_Bond_Count	4
2909	Total_Formal_Charge	0
3356885	Defined_Atom_Stereo_Count	0
90698789	Undefined_Atom_Stereo_Count	0
413538	Isotope_Atom_Count	0
93468	Total_Formal_Charge	0
5280888	Defined_Atom_Stereo_Count	5
57716	Total_Formal_Charge	0
65790	Rotatable_Bond_Count	4
68225733	Total_Formal_Charge	0
3520	Hydrogen_Bond_Donor_Count	3
71727581	Isotope_Atom_Count	0
123892691	Rotatable_Bond_Count	1
969105	Exact_Mass	310.168127949
17928	Defined_Atom_Stereo_Count	0
65562	Covalent_Unit_Count	1
71541292	TPSA	45.4
68289914	Undefined_Atom_Stereo_Count	0
9955116	Mono_Isotopic_Weight	444.20088463
1131	Structure_Complexity	413
67246787	Structure_Complexity	652
123779724	Mono_Isotopic_Weight	112.088815002
6433554	Molecular_Weight	1597.6
142552	Defined_Atom_Stereo_Count	0
461	Hydrogen_Bond_Donor_Count	0
2724163	Non-hydrogen_Atom_Count	26
19540	Tautomer_Count	1
15013749	Non-hydrogen_Atom_Count	39
58305	Defined_Atom_Stereo_Count	0
91260	Defined_Atom_Stereo_Count	0
124246	Undefined_Bond_Stereo_Count	0
44345665	Defined_Atom_Stereo_Count	0
21483017	Structure_Complexity	100
129702186	Hydrogen_Bond_Acceptor_Count	9
12254	Non-hydrogen_Atom_Count	6
87401	XLogP3-AA	3
5463134	Exact_Mass	100.052429494
68234591	XLogP3-AA	1.1
124159	Defined_Atom_Stereo_Count	0
54210121	Covalent_Unit_Count	1
138107	Undefined_Bond_Stereo_Count	0
13033	Undefined_Atom_Stereo_Count	0
226108	Mono_Isotopic_Weight	116.058577502
3436	Non-hydrogen_Atom_Count	19
6514	Tautomer_Count	1
13	Isotope_Atom_Count	0
449459	TPSA	32.7
6196	Exact_Mass	401.10454189
66603137	Defined_Bond_Stereo_Count	0
135489810	Structure_Complexity	140
58654632	Defined_Bond_Stereo_Count	0
2526	Molecular_Weight	172.07
129827902	Defined_Bond_Stereo_Count	0
160051	Tautomer_Count	1
14895678	Exact_Mass	75.068413911
657378	Total_Formal_Charge	0
3889	TPSA	232
20253286	Structure_Complexity	65.5
88402732	Total_Formal_Charge	0
8254	Rotatable_Bond_Count	0
80821	Total_Formal_Charge	0
851045	XLogP3-AA	0.5
54266224	Structure_Complexity	84.1
46936435	Undefined_Atom_Stereo_Count	0
30997	Total_Formal_Charge	0
6431771	Hydrogen_Bond_Donor_Count	3
2085	XLogP3	3.2
7443	Undefined_Bond_Stereo_Count	0
52021	Exact_Mass	409.2172423
4952	TPSA	74.6
68321802	Structure_Complexity	686
54595803	Defined_Bond_Stereo_Count	0
315	Isotope_Atom_Count	0
15188270	TPSA	12
101882103	Hydrogen_Bond_Donor_Count	0
54712709	Defined_Atom_Stereo_Count	2
11762	Hydrogen_Bond_Donor_Count	2
45073437	Tautomer_Count	1
139059144	Isotope_Atom_Count	0
118039329	Structure_Complexity	756
3035668	TPSA	81.4
95913783	Undefined_Atom_Stereo_Count	0
72941505	Hydrogen_Bond_Donor_Count	11
49937	Non-hydrogen_Atom_Count	10
73246	Structure_Complexity	982
3376	Defined_Atom_Stereo_Count	0
10482134	XLogP3-AA	6.7
206044	TPSA	111
21441185	Isotope_Atom_Count	0
439302	Mono_Isotopic_Weight	1006.43645793
3959	Mono_Isotopic_Weight	457.1660879
23690430	Exact_Mass	190.01028425
3047787	Undefined_Bond_Stereo_Count	0
560256	Covalent_Unit_Count	2
80224	Undefined_Atom_Stereo_Count	0
49865972	Undefined_Atom_Stereo_Count	0
75534860	Structure_Complexity	1220
2161	Isotope_Atom_Count	0
11586912	Rotatable_Bond_Count	4
27465	Total_Formal_Charge	0
90877284	Covalent_Unit_Count	1
76548	Non-hydrogen_Atom_Count	12
141011968	Non-hydrogen_Atom_Count	8
9356	Tautomer_Count	1
146935695	XLogP3-AA	0.8
49866025	Hydrogen_Bond_Acceptor_Count	3
91444	Non-hydrogen_Atom_Count	11
7938	Non-hydrogen_Atom_Count	8
295763	Undefined_Bond_Stereo_Count	0
8101	Defined_Bond_Stereo_Count	0
139211202	Mono_Isotopic_Weight	679.44075943
40279	Undefined_Atom_Stereo_Count	0
54526114	Total_Formal_Charge	0
163050682	Hydrogen_Bond_Donor_Count	1
24838	Hydrogen_Bond_Donor_Count	0
61060	Defined_Atom_Stereo_Count	3
102063093	Mono_Isotopic_Weight	168.115029749
621174	Covalent_Unit_Count	1
33287	Molecular_Weight	126.22
71648	XLogP3	1.3
90355769	Undefined_Bond_Stereo_Count	0
13483800	Undefined_Bond_Stereo_Count	0
10131134	Defined_Bond_Stereo_Count	0
79798	Undefined_Atom_Stereo_Count	0
96339	Exact_Mass	166.03784206
5282416	Structure_Complexity	507
10567	Molecular_Weight	126.97
5324277	Exact_Mass	87.068413911
10254700	Mono_Isotopic_Weight	483.04035
9823224	Total_Formal_Charge	0
20485709	Mono_Isotopic_Weight	109.052763847
12284127	Mono_Isotopic_Weight	116.083729621
10909500	Defined_Bond_Stereo_Count	0
639420	Undefined_Atom_Stereo_Count	0
1815	Covalent_Unit_Count	1
5361250	Hydrogen_Bond_Acceptor_Count	5
27893	Undefined_Atom_Stereo_Count	1
12585787	Hydrogen_Bond_Acceptor_Count	1
23681217	Non-hydrogen_Atom_Count	14
96458	Defined_Atom_Stereo_Count	0
3662392	Defined_Bond_Stereo_Count	0
1443	Structure_Complexity	428
43002	Hydrogen_Bond_Acceptor_Count	5
30199	Rotatable_Bond_Count	0
122451302	Exact_Mass	416.32904526
161760	Defined_Atom_Stereo_Count	0
16036788	TPSA	107
91599597	Undefined_Bond_Stereo_Count	0
85784776	Molecular_Weight	182.14
441345	Non-hydrogen_Atom_Count	30
11594328	TPSA	58.7
10027816	Rotatable_Bond_Count	8
5497195	Defined_Bond_Stereo_Count	1
78747	Isotope_Atom_Count	0
5364711	TPSA	26.3
55288089	Mono_Isotopic_Weight	111.068413911
22015243	Exact_Mass	114.068079557
94932	Hydrogen_Bond_Donor_Count	2
201538	Covalent_Unit_Count	2
12434709	XLogP3-AA	1.1
5363548	Rotatable_Bond_Count	11
16750094	Defined_Bond_Stereo_Count	0
124003	Total_Formal_Charge	0
71311337	Defined_Atom_Stereo_Count	0
62275	Hydrogen_Bond_Acceptor_Count	4
44134800	Total_Formal_Charge	0
222757	Undefined_Atom_Stereo_Count	0
145391309	Exact_Mass	101.047678466
689750	XLogP3-AA	2.1
74339141	Hydrogen_Bond_Acceptor_Count	9
13003	Isotope_Atom_Count	0
16733482	XLogP3-AA	2.8
9863	Isotope_Atom_Count	0
9955116	Non-hydrogen_Atom_Count	32
68710	TPSA	28.6
5365125	Rotatable_Bond_Count	16
24974448	Mono_Isotopic_Weight	95.037113783
2723789	Tautomer_Count	3
91747	XLogP3	3.9
136264090	Molecular_Weight	1145.3
144513	Rotatable_Bond_Count	0
28284151	Mono_Isotopic_Weight	477.1064684
534439	Molecular_Weight	114.19
11073376	Total_Formal_Charge	0
5284645	Defined_Bond_Stereo_Count	1
43173	Hydrogen_Bond_Donor_Count	3
88548120	Undefined_Atom_Stereo_Count	0
75800	Defined_Atom_Stereo_Count	0
108144	Tautomer_Count	7
22022770	Structure_Complexity	68.2
160331	Structure_Complexity	365
162148	Rotatable_Bond_Count	2
54778	Undefined_Atom_Stereo_Count	0
12314510	Non-hydrogen_Atom_Count	38
22833567	Defined_Atom_Stereo_Count	7
9926832	Defined_Atom_Stereo_Count	3
12933420	Rotatable_Bond_Count	0
21402940	Total_Formal_Charge	0
146156670	Total_Formal_Charge	0
59774	Defined_Atom_Stereo_Count	0
57829	Isotope_Atom_Count	0
694856	Rotatable_Bond_Count	1
12749	XLogP3	0.2
18831	Mono_Isotopic_Weight	145.0155228
25945	Tautomer_Count	2
2236	Rotatable_Bond_Count	2
445643	Hydrogen_Bond_Donor_Count	3
26998	Structure_Complexity	110
52148	Undefined_Atom_Stereo_Count	0
2733928	Tautomer_Count	1
24191	Undefined_Bond_Stereo_Count	1
6440721	Undefined_Atom_Stereo_Count	2
29393	TPSA	163
15580	Non-hydrogen_Atom_Count	17
445638	TPSA	37.3
43057	Total_Formal_Charge	0
1414	Rotatable_Bond_Count	12
98092	Mono_Isotopic_Weight	318.06003405
18410302	Hydrogen_Bond_Donor_Count	1
5311184	Covalent_Unit_Count	2
23831	Undefined_Atom_Stereo_Count	0
5460887	Hydrogen_Bond_Acceptor_Count	9
121893	Rotatable_Bond_Count	8
10285793	Tautomer_Count	1
639420	Defined_Atom_Stereo_Count	0
65552	XLogP3-AA	5.2
87517	Isotope_Atom_Count	0
25600	Hydrogen_Bond_Donor_Count	2
137090	Rotatable_Bond_Count	0
6917900	Hydrogen_Bond_Acceptor_Count	5
29131	Isotope_Atom_Count	0
135903069	Mono_Isotopic_Weight	891.01310344
53316390	Defined_Atom_Stereo_Count	0
1710	TPSA	40.5
71317096	Molecular_Weight	182.17
54086435	Rotatable_Bond_Count	1
73433	Hydrogen_Bond_Donor_Count	2
8748	Exact_Mass	154.135765193
10197646	TPSA	49.6
66624275	Undefined_Atom_Stereo_Count	0
68861	Non-hydrogen_Atom_Count	23
54710618	Rotatable_Bond_Count	1
178103	Non-hydrogen_Atom_Count	37
54500069	Defined_Atom_Stereo_Count	0
475319	Defined_Atom_Stereo_Count	2
77048	Isotope_Atom_Count	0
149519	Molecular_Weight	348.4
5274	Isotope_Atom_Count	0
21041053	Covalent_Unit_Count	1
12241083	Defined_Atom_Stereo_Count	0
69845357	Undefined_Bond_Stereo_Count	0
156617950	Undefined_Atom_Stereo_Count	0
59388	Molecular_Weight	291.21
3059	Undefined_Bond_Stereo_Count	0
118208260	Rotatable_Bond_Count	2
153834924	Rotatable_Bond_Count	0
7413	XLogP3-AA	1.9
153812620	Undefined_Bond_Stereo_Count	0
7092	Defined_Bond_Stereo_Count	0
13570516	Covalent_Unit_Count	1
135989	Hydrogen_Bond_Acceptor_Count	0
10801933	Hydrogen_Bond_Donor_Count	1
11237985	Defined_Bond_Stereo_Count	0
175967	Isotope_Atom_Count	0
225710	Total_Formal_Charge	0
7210	Total_Formal_Charge	0
107676	Undefined_Atom_Stereo_Count	0
94830	Hydrogen_Bond_Donor_Count	1
46878363	Exact_Mass	276.1371335
39528	Non-hydrogen_Atom_Count	19
7032	Isotope_Atom_Count	0
163921573	Isotope_Atom_Count	0
16136912	Defined_Atom_Stereo_Count	22
15184871	Exact_Mass	82.053098200
12973	Covalent_Unit_Count	1
164330	Mono_Isotopic_Weight	1397.576390
23163355	Isotope_Atom_Count	0
68290287	Total_Formal_Charge	0
4037	Undefined_Bond_Stereo_Count	0
16950	Covalent_Unit_Count	1
76658	Non-hydrogen_Atom_Count	13
21650627	Undefined_Atom_Stereo_Count	1
18944758	Defined_Bond_Stereo_Count	0
4651115	Covalent_Unit_Count	4
92158	Structure_Complexity	807
45040320	Defined_Bond_Stereo_Count	0
36314	TPSA	221
8080	Isotope_Atom_Count	0
54556623	Rotatable_Bond_Count	4
63179	TPSA	63
26139	Structure_Complexity	239
45108235	Rotatable_Bond_Count	9
12242824	Non-hydrogen_Atom_Count	11
9886249	Structure_Complexity	698
11394	Total_Formal_Charge	0
7098	XLogP3	4.6
14379827	Total_Formal_Charge	0
71366347	Undefined_Atom_Stereo_Count	2
910	Hydrogen_Bond_Acceptor_Count	5
74096	Isotope_Atom_Count	0
61534	Undefined_Bond_Stereo_Count	0
117065485	Defined_Atom_Stereo_Count	4
16073662	Undefined_Atom_Stereo_Count	0
39724	Hydrogen_Bond_Donor_Count	2
115208	TPSA	72.9
10162630	Molecular_Weight	477.0
41596	Isotope_Atom_Count	0
10964	Mono_Isotopic_Weight	72.021129366
14897383	Defined_Atom_Stereo_Count	0
150067	Defined_Atom_Stereo_Count	0
99404	Isotope_Atom_Count	0
69244	Molecular_Weight	97.16
61071	Undefined_Bond_Stereo_Count	1
3718	Hydrogen_Bond_Donor_Count	1
66577443	Molecular_Weight	260.22
156617950	Defined_Atom_Stereo_Count	10
231971	Defined_Bond_Stereo_Count	0
5359484	Exact_Mass	289.0861010
87820	Defined_Atom_Stereo_Count	0
6927356	Non-hydrogen_Atom_Count	12
91181590	Total_Formal_Charge	0
825522	Undefined_Bond_Stereo_Count	0
94396	Structure_Complexity	233
40473193	Isotope_Atom_Count	0
54758599	Hydrogen_Bond_Donor_Count	23
448013	Hydrogen_Bond_Acceptor_Count	8
74405857	Undefined_Bond_Stereo_Count	0
524645	Rotatable_Bond_Count	2
129655960	Hydrogen_Bond_Acceptor_Count	9
132277694	Structure_Complexity	93.9
69430	Undefined_Atom_Stereo_Count	0
7814	Exact_Mass	108.068748264
68576	Structure_Complexity	645
15939	Mono_Isotopic_Weight	186.115698455
258030	Total_Formal_Charge	0
87071867	Undefined_Atom_Stereo_Count	3
7018870	Undefined_Bond_Stereo_Count	0
2761399	Non-hydrogen_Atom_Count	8
135413536	Undefined_Bond_Stereo_Count	0
53952865	Undefined_Bond_Stereo_Count	0
809622	Undefined_Bond_Stereo_Count	0
162344793	Molecular_Weight	1011.7
13593931	Exact_Mass	94.078250319
9830667	Undefined_Bond_Stereo_Count	0
155465	Rotatable_Bond_Count	0
13734170	Defined_Bond_Stereo_Count	0
7066	Mono_Isotopic_Weight	261.12996879
5400866	XLogP3-AA	1.6
69337	Tautomer_Count	5
26633	Defined_Bond_Stereo_Count	0
41649	Defined_Bond_Stereo_Count	0
7560	Hydrogen_Bond_Donor_Count	1
68499424	Mono_Isotopic_Weight	96.068748264
129893562	Rotatable_Bond_Count	26
6919	Undefined_Atom_Stereo_Count	0
3297	Defined_Bond_Stereo_Count	0
201412	Structure_Complexity	458
75184787	Undefined_Atom_Stereo_Count	1
5702063	Structure_Complexity	228
6232	Covalent_Unit_Count	1
5284468	Mono_Isotopic_Weight	247.963896
57303454	Non-hydrogen_Atom_Count	7
45285	Non-hydrogen_Atom_Count	20
4332	Hydrogen_Bond_Acceptor_Count	4
773938	Defined_Atom_Stereo_Count	1
4017	Exact_Mass	1406.93370526
59202444	Defined_Bond_Stereo_Count	0
59751	Isotope_Atom_Count	0
16076883	Undefined_Bond_Stereo_Count	0
142464198	Defined_Bond_Stereo_Count	0
124224932	Non-hydrogen_Atom_Count	59
5367412	Mono_Isotopic_Weight	150.140850574
134669	Defined_Bond_Stereo_Count	0
12539007	Isotope_Atom_Count	0
25102	Hydrogen_Bond_Donor_Count	4
27236	Covalent_Unit_Count	1
82343	Defined_Atom_Stereo_Count	0
6427770	Isotope_Atom_Count	0
139079484	Non-hydrogen_Atom_Count	40
9162	Structure_Complexity	361
2827646	TPSA	61.7
5359484	Structure_Complexity	292
54688683	Molecular_Weight	626.7
14685	Defined_Bond_Stereo_Count	0
5353627	Structure_Complexity	590
12711588	Undefined_Bond_Stereo_Count	0
411817	XLogP3	3.7
82593534	Undefined_Atom_Stereo_Count	0
75103	Structure_Complexity	24.7
37274	Isotope_Atom_Count	0
29739	Mono_Isotopic_Weight	296.16237386
137426	Hydrogen_Bond_Acceptor_Count	1
94020	Rotatable_Bond_Count	2
74724	Covalent_Unit_Count	2
126480242	Undefined_Atom_Stereo_Count	0
535480	Rotatable_Bond_Count	2
469717	Undefined_Bond_Stereo_Count	0
7393	TPSA	20.2
165491	Molecular_Weight	665.4
5281567	XLogP3-AA	2.4
26007	Defined_Atom_Stereo_Count	0
23664361	Hydrogen_Bond_Donor_Count	3
5940	Exact_Mass	280.90199
104933	Hydrogen_Bond_Donor_Count	1
32518	Molecular_Weight	297.5
52950127	Hydrogen_Bond_Donor_Count	1
4549	Hydrogen_Bond_Donor_Count	2
89374440	Isotope_Atom_Count	0
65506	Non-hydrogen_Atom_Count	36
267493	Hydrogen_Bond_Donor_Count	1
550825	Isotope_Atom_Count	0
43157	Tautomer_Count	9
13197669	Hydrogen_Bond_Donor_Count	1
3877	Tautomer_Count	3
20035332	Undefined_Atom_Stereo_Count	0
47198	Hydrogen_Bond_Acceptor_Count	2
11223	Covalent_Unit_Count	2
30387	Undefined_Bond_Stereo_Count	0
46485	Rotatable_Bond_Count	9
81595	Structure_Complexity	119
58496428	Structure_Complexity	732
4441	Covalent_Unit_Count	1
423	Undefined_Atom_Stereo_Count	1
5770	Hydrogen_Bond_Acceptor_Count	10
4103	Mono_Isotopic_Weight	380.10420754
230976	Total_Formal_Charge	0
12470257	Hydrogen_Bond_Acceptor_Count	2
403648	Covalent_Unit_Count	1
4839	Rotatable_Bond_Count	6
8936	Mono_Isotopic_Weight	810.42037944
16760703	TPSA	40.1
12005	Defined_Atom_Stereo_Count	0
11147674	Defined_Atom_Stereo_Count	0
121877	Tautomer_Count	2
77241	Rotatable_Bond_Count	3
58206	Undefined_Atom_Stereo_Count	0
16322	Non-hydrogen_Atom_Count	13
21326601	Undefined_Bond_Stereo_Count	0
85117	Isotope_Atom_Count	0
7185	Structure_Complexity	349
210326	Covalent_Unit_Count	1
37822	Total_Formal_Charge	0
11850899	Covalent_Unit_Count	1
12394846	Defined_Atom_Stereo_Count	0
11983193	Isotope_Atom_Count	0
223579	Defined_Bond_Stereo_Count	0
10048368	Undefined_Bond_Stereo_Count	0
53316418	Mono_Isotopic_Weight	384.99109039
10307909	Non-hydrogen_Atom_Count	14
175468	Tautomer_Count	2
682529	Exact_Mass	273.08234989
86000267	Exact_Mass	208.219100893
140905	Defined_Atom_Stereo_Count	0
21786118	Defined_Bond_Stereo_Count	0
88729	Defined_Atom_Stereo_Count	0
41191	Defined_Bond_Stereo_Count	0
66080	Mono_Isotopic_Weight	96.093900383
15532	Structure_Complexity	256
11326613	Hydrogen_Bond_Acceptor_Count	4
22341858	Hydrogen_Bond_Donor_Count	2
14340	Defined_Atom_Stereo_Count	0
22779	Total_Formal_Charge	0
1208	Structure_Complexity	280
11651197	Hydrogen_Bond_Acceptor_Count	4
12591555	Undefined_Bond_Stereo_Count	0
24309	Defined_Bond_Stereo_Count	0
16324	Molecular_Weight	128.17
9589	Non-hydrogen_Atom_Count	9
135445165	Undefined_Atom_Stereo_Count	0
21884	Total_Formal_Charge	0
78704	Rotatable_Bond_Count	2
90472752	Exact_Mass	181.06674293
535722	XLogP3-AA	0.9
6452300	Mono_Isotopic_Weight	156.847063
52039	Rotatable_Bond_Count	2
11237985	Mono_Isotopic_Weight	536.2765481
60196343	Non-hydrogen_Atom_Count	46
445750	Undefined_Atom_Stereo_Count	0
155113	Total_Formal_Charge	0
17842350	Structure_Complexity	129
4764	Molecular_Weight	318.3
11527635	Non-hydrogen_Atom_Count	47
10867	XLogP3-AA	3.9
22323244	Defined_Bond_Stereo_Count	0
24847884	Molecular_Weight	573.7
23158703	Mono_Isotopic_Weight	387.15426879
19518	Hydrogen_Bond_Donor_Count	1
14872976	Mono_Isotopic_Weight	112.074896272
7642	Rotatable_Bond_Count	22
7452	Defined_Bond_Stereo_Count	0
6983	Total_Formal_Charge	0
8820	Non-hydrogen_Atom_Count	7
54418364	Isotope_Atom_Count	0
549240	Undefined_Bond_Stereo_Count	0
2534	Molecular_Weight	1009.2
24901283	Undefined_Bond_Stereo_Count	0
85872	Undefined_Atom_Stereo_Count	1
25006	Hydrogen_Bond_Acceptor_Count	1
21864560	Exact_Mass	1212.68532087
542420	Isotope_Atom_Count	0
67938791	Hydrogen_Bond_Acceptor_Count	6
71782	Rotatable_Bond_Count	5
991	Covalent_Unit_Count	1
21655019	Structure_Complexity	48.1
13059495	Tautomer_Count	2
670	Undefined_Bond_Stereo_Count	0
23270355	TPSA	20.2
6432649	Undefined_Bond_Stereo_Count	0
117188816	TPSA	64.1
11097730	Undefined_Atom_Stereo_Count	0
10096946	Structure_Complexity	780
15206	TPSA	20.2
60155367	Exact_Mass	385.21138974
6419898	Molecular_Weight	843.1
131698851	Non-hydrogen_Atom_Count	51
54684461	Exact_Mass	462.16383041
141691	Isotope_Atom_Count	0
66545743	Hydrogen_Bond_Donor_Count	1
400433	Defined_Atom_Stereo_Count	0
53671684	Undefined_Bond_Stereo_Count	1
54757209	Exact_Mass	508.1699750
71397	Undefined_Bond_Stereo_Count	0
57656869	Structure_Complexity	514
6436732	Molecular_Weight	240.34
1232	Defined_Bond_Stereo_Count	0
14130	Hydrogen_Bond_Acceptor_Count	3
66383	Undefined_Bond_Stereo_Count	0
60156	Exact_Mass	303.0120774
19065710	Non-hydrogen_Atom_Count	8
5489948	Non-hydrogen_Atom_Count	39
3090	Defined_Atom_Stereo_Count	0
442072	Total_Formal_Charge	0
20542	Exact_Mass	332.225248902
22833389	Undefined_Bond_Stereo_Count	0
548282	Total_Formal_Charge	0
10112	Covalent_Unit_Count	2
21927801	Rotatable_Bond_Count	4
16399850	Hydrogen_Bond_Donor_Count	1
41088	Total_Formal_Charge	0
56840877	Molecular_Weight	371.25
136254272	Non-hydrogen_Atom_Count	28
65906	Defined_Atom_Stereo_Count	0
6436063	Exact_Mass	366.361014095
55293	Undefined_Atom_Stereo_Count	0
9889841	XLogP3-AA	6.5
5281873	Hydrogen_Bond_Acceptor_Count	7
54587659	XLogP3-AA	4
101606430	XLogP3-AA	7.3
32048	Total_Formal_Charge	0
10582477	Mono_Isotopic_Weight	223.063328530
68015385	Total_Formal_Charge	0
243	Molecular_Weight	122.12
19935381	Molecular_Weight	110.15
16130957	Covalent_Unit_Count	1
607248	Non-hydrogen_Atom_Count	12
101120059	Mono_Isotopic_Weight	268.125200510
44445387	Hydrogen_Bond_Acceptor_Count	4
5481173	Non-hydrogen_Atom_Count	37
130349042	Rotatable_Bond_Count	1
129845	Defined_Bond_Stereo_Count	0
17963227	Hydrogen_Bond_Acceptor_Count	5
139070837	Undefined_Atom_Stereo_Count	0
3022	TPSA	87.7
59603622	Structure_Complexity	481
41462	Total_Formal_Charge	0
46187519	XLogP3-AA	4.6
10628031	Hydrogen_Bond_Donor_Count	6
18329111	XLogP3-AA	3.8
53903478	Defined_Bond_Stereo_Count	0
10898649	Structure_Complexity	64
22081028	Isotope_Atom_Count	0
15356533	Isotope_Atom_Count	0
16155604	Defined_Atom_Stereo_Count	19
76958691	Structure_Complexity	515
9877306	Defined_Atom_Stereo_Count	14
71583603	Total_Formal_Charge	0
70697627	Defined_Bond_Stereo_Count	0
35898	Structure_Complexity	312
11105340	Undefined_Bond_Stereo_Count	0
25271781	Undefined_Bond_Stereo_Count	0
30196	TPSA	57.5
24901348	Exact_Mass	531.1150183
139595131	Defined_Atom_Stereo_Count	13
83832	Defined_Atom_Stereo_Count	0
527111	Rotatable_Bond_Count	3
16719897	Molecular_Weight	208.14
21876618	Molecular_Weight	108.10
81818	Tautomer_Count	1
7301	Hydrogen_Bond_Donor_Count	0
60602	Exact_Mass	609.28388597
154515422	Non-hydrogen_Atom_Count	8
362096	Covalent_Unit_Count	1
102115685	Structure_Complexity	102
92600	Undefined_Atom_Stereo_Count	0
119418	Undefined_Atom_Stereo_Count	0
86890	Undefined_Atom_Stereo_Count	0
30976	Mono_Isotopic_Weight	150.06539422
6451143	TPSA	131
53943526	Mono_Isotopic_Weight	99.032028402
36511	Molecular_Weight	1347.6
81426	Exact_Mass	166.06636548
595926	Covalent_Unit_Count	1
23582412	XLogP3-AA	2.8
998	Isotope_Atom_Count	0
25142043	Mono_Isotopic_Weight	408.19615422
75472	Mono_Isotopic_Weight	171.162314293
8203	Non-hydrogen_Atom_Count	21
8474	Hydrogen_Bond_Donor_Count	2
71128	Structure_Complexity	348
22277879	Hydrogen_Bond_Donor_Count	0
149755	Total_Formal_Charge	0
7156	Hydrogen_Bond_Acceptor_Count	2
519642	Molecular_Weight	110.18
91667591	Molecular_Weight	978.6
3239235	Defined_Bond_Stereo_Count	0
129010364	Molecular_Weight	665.7
9868037	Rotatable_Bond_Count	6
20240	Exact_Mass	194.094294304
88983603	Non-hydrogen_Atom_Count	7
5353607	Hydrogen_Bond_Acceptor_Count	6
154731141	Covalent_Unit_Count	2
163838	Tautomer_Count	3
3872	Undefined_Bond_Stereo_Count	0
76198	Isotope_Atom_Count	0
6022	Molecular_Weight	427.20
6509724	Exact_Mass	534.2132792
57070769	Defined_Atom_Stereo_Count	8
44629525	XLogP3-AA	5.6
365	TPSA	389
15951509	XLogP3-AA	2.4
96457	Isotope_Atom_Count	0
9818024	Exact_Mass	306.21949481
8015	Defined_Bond_Stereo_Count	0
140047825	Exact_Mass	575.09703019
5477635	Tautomer_Count	3
54427	Defined_Bond_Stereo_Count	0
441348	TPSA	55.6
21617691	Undefined_Atom_Stereo_Count	2
449355	Defined_Bond_Stereo_Count	0
92	Undefined_Atom_Stereo_Count	4
156963289	Rotatable_Bond_Count	6
77442653	Rotatable_Bond_Count	0
6364620	XLogP3-AA	7.1
2480	TPSA	55.6
48	Covalent_Unit_Count	1
2736548	TPSA	17.1
23369154	Structure_Complexity	82.1
15561851	Isotope_Atom_Count	0
13694	Hydrogen_Bond_Acceptor_Count	0
126969097	Undefined_Bond_Stereo_Count	2
22524140	Molecular_Weight	905.0
70276990	Undefined_Atom_Stereo_Count	0
25023858	XLogP3-AA	4
12748956	Hydrogen_Bond_Acceptor_Count	2
9219	Molecular_Weight	118.14
5497143	Molecular_Weight	835.6
31202	TPSA	0
130232326	Hydrogen_Bond_Acceptor_Count	5
219105	Structure_Complexity	116
5281107	Tautomer_Count	1
68953	Defined_Bond_Stereo_Count	0
17142	Mono_Isotopic_Weight	297.09608521
5227	Hydrogen_Bond_Acceptor_Count	3
738541	Isotope_Atom_Count	0
139030973	Covalent_Unit_Count	3
59325013	Structure_Complexity	88.1
7403	Structure_Complexity	183
67278	Tautomer_Count	1
5351548	Mono_Isotopic_Weight	841.44598505
53346493	Non-hydrogen_Atom_Count	23
159199	Undefined_Bond_Stereo_Count	0
74096	Rotatable_Bond_Count	5
416960	Undefined_Atom_Stereo_Count	1
60196293	Structure_Complexity	528
168120	Tautomer_Count	3
915014	Non-hydrogen_Atom_Count	26
627386	Hydrogen_Bond_Donor_Count	1
314284	Mono_Isotopic_Weight	102.068079557
25429	Undefined_Bond_Stereo_Count	0
77011628	Defined_Atom_Stereo_Count	0
23675320	Defined_Bond_Stereo_Count	0
8691	Molecular_Weight	249.70
129866213	Exact_Mass	502.18282
129689385	Total_Formal_Charge	0
1127	Total_Formal_Charge	0
11267	Covalent_Unit_Count	1
137606	Hydrogen_Bond_Donor_Count	0
71655	Rotatable_Bond_Count	2
706529	Defined_Bond_Stereo_Count	0
90931176	Molecular_Weight	96.17
77903	Hydrogen_Bond_Donor_Count	0
12431566	TPSA	20.2
146171122	TPSA	104
169986	Undefined_Atom_Stereo_Count	0
11655595	Rotatable_Bond_Count	5
25111945	Covalent_Unit_Count	1
153427669	Isotope_Atom_Count	0
3083671	Molecular_Weight	282.36
80265	Total_Formal_Charge	0
396680	Covalent_Unit_Count	1
69568	Structure_Complexity	106
44521022	Mono_Isotopic_Weight	453.21647512
10267191	Molecular_Weight	307.13
21902132	Covalent_Unit_Count	1
108147	Molecular_Weight	842.0
79048	Molecular_Weight	98.14
18506429	Covalent_Unit_Count	1
19083156	TPSA	97.2
53323075	Rotatable_Bond_Count	8
6419966	TPSA	244
21180	Non-hydrogen_Atom_Count	16
70693548	Non-hydrogen_Atom_Count	170
13362585	Defined_Atom_Stereo_Count	0
17310	XLogP3-AA	1.8
107905	Total_Formal_Charge	0
20190	Structure_Complexity	273
7422	Defined_Bond_Stereo_Count	0
15289	Undefined_Atom_Stereo_Count	1
10046374	Defined_Atom_Stereo_Count	0
6321392	Mono_Isotopic_Weight	324.10698424
7895	XLogP3	0.9
104865206	Hydrogen_Bond_Acceptor_Count	3
22082546	Non-hydrogen_Atom_Count	7
6999016	Tautomer_Count	1
13159184	Defined_Bond_Stereo_Count	0
65708	Total_Formal_Charge	0
7121	Defined_Bond_Stereo_Count	0
6199	Exact_Mass	186.031694049
118285	Rotatable_Bond_Count	4
9890250	TPSA	83.1
3353976	Rotatable_Bond_Count	5
6654	Non-hydrogen_Atom_Count	10
31432	Undefined_Atom_Stereo_Count	0
69677	Rotatable_Bond_Count	0
5355254	TPSA	26.3
15192	Undefined_Bond_Stereo_Count	0
4667	Hydrogen_Bond_Donor_Count	2
123195	Mono_Isotopic_Weight	30.021798072
3000241	Structure_Complexity	222
32836	Exact_Mass	291.859703
23679004	Isotope_Atom_Count	0
550964	Isotope_Atom_Count	0
11521169	Rotatable_Bond_Count	1
25271781	Defined_Atom_Stereo_Count	0
20638380	Mono_Isotopic_Weight	818.6973
10219674	Defined_Atom_Stereo_Count	4
273577	XLogP3-AA	4.4
6438028	Structure_Complexity	348
13244249	Isotope_Atom_Count	0
12959091	Mono_Isotopic_Weight	99.068413911
19860177	Molecular_Weight	99.13
70637	Total_Formal_Charge	0
53315110	Undefined_Bond_Stereo_Count	0
66002	Defined_Bond_Stereo_Count	0
18628727	Hydrogen_Bond_Acceptor_Count	3
124021837	Defined_Atom_Stereo_Count	0
23724556	Isotope_Atom_Count	0
71433133	Covalent_Unit_Count	1
11377266	Exact_Mass	652.25532631
11281011	Undefined_Bond_Stereo_Count	0
14284	Isotope_Atom_Count	0
5424	Molecular_Weight	172.09
4369496	Isotope_Atom_Count	0
1257	TPSA	31.9
12435	Defined_Atom_Stereo_Count	0
9847836	XLogP3-AA	6.3
10110	TPSA	37.3
87315833	Undefined_Atom_Stereo_Count	0
76989	Undefined_Atom_Stereo_Count	0
11957593	Defined_Atom_Stereo_Count	0
5487068	Covalent_Unit_Count	5
41211	Molecular_Weight	347.22
156618073	Exact_Mass	342.11621151
46839993	Non-hydrogen_Atom_Count	6
14589	Mono_Isotopic_Weight	208.088815002
6411	TPSA	83
51051629	Rotatable_Bond_Count	4
13314	Exact_Mass	334.0275830
5461103	Hydrogen_Bond_Acceptor_Count	5
10048368	Undefined_Atom_Stereo_Count	0
64369	Defined_Bond_Stereo_Count	0
2347	Defined_Bond_Stereo_Count	0
17321	Total_Formal_Charge	0
588860	Rotatable_Bond_Count	2
5364495	TPSA	17.1
4848	TPSA	68.8
28674	Exact_Mass	99.043261792
6506803	Structure_Complexity	771
151148	Total_Formal_Charge	0
16760063	Non-hydrogen_Atom_Count	34
15939272	Rotatable_Bond_Count	0
65974	Covalent_Unit_Count	1
702	Defined_Atom_Stereo_Count	0
12300006	Structure_Complexity	1140
20096720	Mono_Isotopic_Weight	109.052763847
119095461	Non-hydrogen_Atom_Count	7
3003004	Defined_Atom_Stereo_Count	0
53346491	Total_Formal_Charge	0
65776	Molecular_Weight	350.5
4411	Defined_Bond_Stereo_Count	0
29373	Undefined_Atom_Stereo_Count	0
37517	Non-hydrogen_Atom_Count	21
533432	TPSA	20.2
44407	Exact_Mass	345.03644
23668002	Isotope_Atom_Count	0
442294	Mono_Isotopic_Weight	264.13615911
5372194	Rotatable_Bond_Count	2
87713	Undefined_Bond_Stereo_Count	0
3283	Hydrogen_Bond_Donor_Count	0
57371080	Hydrogen_Bond_Donor_Count	0
10336591	Molecular_Weight	100.16
133665799	Defined_Atom_Stereo_Count	0
44303980	Exact_Mass	408.28757437
80782	Mono_Isotopic_Weight	171.0450916
44458766	TPSA	157
90884886	Non-hydrogen_Atom_Count	8
6047	Molecular_Weight	197.19
208952	Exact_Mass	431.0960588
13424661	TPSA	126
70039	Non-hydrogen_Atom_Count	16
8827	Total_Formal_Charge	0
6746	Isotope_Atom_Count	0
60558	Molecular_Weight	575.6
45357	Non-hydrogen_Atom_Count	17
9543169	Hydrogen_Bond_Acceptor_Count	22
50990009	Non-hydrogen_Atom_Count	30
156592459	Defined_Atom_Stereo_Count	11
5284391	Non-hydrogen_Atom_Count	27
11194305	TPSA	67.5
292925	Exact_Mass	164.131348519
3002190	Non-hydrogen_Atom_Count	58
71011	Total_Formal_Charge	0
36688115	Molecular_Weight	325.5
91298647	Isotope_Atom_Count	0
1897	Isotope_Atom_Count	0
53704432	Exact_Mass	116.083729621
4627783	TPSA	17.1
220502	Isotope_Atom_Count	0
21123938	Hydrogen_Bond_Acceptor_Count	5
18921450	Total_Formal_Charge	0
5484286	Undefined_Atom_Stereo_Count	0
9949802	Exact_Mass	339.27734404
438	Isotope_Atom_Count	0
71884	Tautomer_Count	48
57328385	Defined_Bond_Stereo_Count	0
5205	Hydrogen_Bond_Acceptor_Count	1
96316	TPSA	40.5
8109	Molecular_Weight	104.15
5236	Mono_Isotopic_Weight	77.00388246
23668002	Defined_Bond_Stereo_Count	0
12304613	Structure_Complexity	207
11541153	Defined_Bond_Stereo_Count	0
60904070	Isotope_Atom_Count	0
68015385	Isotope_Atom_Count	0
6976	Isotope_Atom_Count	0
107760	Rotatable_Bond_Count	9
148431	Defined_Bond_Stereo_Count	0
5357696	Molecular_Weight	85.468
74141	TPSA	75.7
111332	Defined_Bond_Stereo_Count	0
3078519	Rotatable_Bond_Count	2
9919942	Structure_Complexity	1900
82153	Isotope_Atom_Count	0
20169	Mono_Isotopic_Weight	312.13615911
54586720	Defined_Bond_Stereo_Count	0
6033664	TPSA	59.3
17912	Non-hydrogen_Atom_Count	21
109195	Defined_Bond_Stereo_Count	0
194647	Hydrogen_Bond_Donor_Count	8
72506564	Isotope_Atom_Count	0
2734903	TPSA	58.2
140083	XLogP3-AA	0.9
8341	Covalent_Unit_Count	1
60904070	Hydrogen_Bond_Donor_Count	0
16760390	Mono_Isotopic_Weight	100.052429494
13347991	Exact_Mass	108.093900383
135921797	Hydrogen_Bond_Donor_Count	7
27686	Hydrogen_Bond_Acceptor_Count	11
6540298	Undefined_Atom_Stereo_Count	0
5362456	Mono_Isotopic_Weight	271.157228913
5257090	Non-hydrogen_Atom_Count	20
32339	Defined_Bond_Stereo_Count	0
7048538	Mono_Isotopic_Weight	299.201105100
135923569	Hydrogen_Bond_Donor_Count	2
5059	Tautomer_Count	1
98310	XLogP3-AA	4.6
9264	Undefined_Atom_Stereo_Count	0
441451	Isotope_Atom_Count	0
441071	Undefined_Atom_Stereo_Count	0
44123551	Isotope_Atom_Count	0
58028426	Hydrogen_Bond_Acceptor_Count	3
13401731	Total_Formal_Charge	0
6184	Covalent_Unit_Count	1
72950888	Exact_Mass	571.18312413
54600009	Covalent_Unit_Count	2
43513	Undefined_Atom_Stereo_Count	0
57704514	Structure_Complexity	384
60196374	Covalent_Unit_Count	2
2723951	Defined_Atom_Stereo_Count	0
123542468	Exact_Mass	108.093900383
3083943	Tautomer_Count	1
26330	Defined_Bond_Stereo_Count	0
54203587	Hydrogen_Bond_Donor_Count	0
3051	Covalent_Unit_Count	1
72200037	Rotatable_Bond_Count	9
80467969	Defined_Bond_Stereo_Count	0
84063981	Mono_Isotopic_Weight	111.068413911
15606546	TPSA	111
64762	Defined_Atom_Stereo_Count	0
40473182	Structure_Complexity	179
91505	Tautomer_Count	1
554363	Defined_Atom_Stereo_Count	0
10058	TPSA	121
21576	Structure_Complexity	232
16052007	Hydrogen_Bond_Acceptor_Count	7
5311356	Molecular_Weight	398.5
17881	Non-hydrogen_Atom_Count	44
31297	Undefined_Bond_Stereo_Count	0
3642	Rotatable_Bond_Count	6
44571187	Isotope_Atom_Count	0
9892	Mono_Isotopic_Weight	130.02416388
83270	TPSA	46.2
6917874	Structure_Complexity	1600
77137	Isotope_Atom_Count	0
447534	Hydrogen_Bond_Acceptor_Count	4
13799	Undefined_Bond_Stereo_Count	0
7471	Exact_Mass	135.104799419
40854	Undefined_Atom_Stereo_Count	1
26009888	Defined_Atom_Stereo_Count	0
894278	Covalent_Unit_Count	1
44629593	Hydrogen_Bond_Donor_Count	5
970440	Undefined_Bond_Stereo_Count	0
7732	TPSA	35.2
53315137	Hydrogen_Bond_Acceptor_Count	8
91143491	Structure_Complexity	97.1
11507658	TPSA	64.6
265237	Undefined_Bond_Stereo_Count	0
28125489	Non-hydrogen_Atom_Count	17
140557163	Mono_Isotopic_Weight	94.078250319
79004	Defined_Bond_Stereo_Count	0
17898	Total_Formal_Charge	0
4	Defined_Bond_Stereo_Count	0
170944	Rotatable_Bond_Count	0
56974851	Rotatable_Bond_Count	3
17909343	Defined_Atom_Stereo_Count	0
62210	Undefined_Bond_Stereo_Count	0
2073	Non-hydrogen_Atom_Count	24
15291	Undefined_Bond_Stereo_Count	0
12301	Exact_Mass	104.047344113
20662793	Hydrogen_Bond_Acceptor_Count	1
87155	Mono_Isotopic_Weight	178.062994177
165437289	Undefined_Atom_Stereo_Count	2
830713	TPSA	63.8
12313849	Rotatable_Bond_Count	0
34001	Molecular_Weight	341.8
2675	Hydrogen_Bond_Acceptor_Count	12
165664742	Mono_Isotopic_Weight	98.036779430
8519	Tautomer_Count	1
77456	TPSA	86
11184839	Defined_Atom_Stereo_Count	0
13707503	Structure_Complexity	101
51200	Mono_Isotopic_Weight	236.094963011
72131	Defined_Atom_Stereo_Count	5
439583	Hydrogen_Bond_Donor_Count	5
21698764	Hydrogen_Bond_Donor_Count	1
5092	Hydrogen_Bond_Acceptor_Count	3
18718236	Mono_Isotopic_Weight	111.068413911
6442439	Molecular_Weight	166.22
30744	Hydrogen_Bond_Acceptor_Count	5
65388	Hydrogen_Bond_Acceptor_Count	5
88906574	Undefined_Atom_Stereo_Count	0
119339	Hydrogen_Bond_Donor_Count	9
12835187	XLogP3-AA	0.2
18732336	Defined_Bond_Stereo_Count	0
3003004	Undefined_Atom_Stereo_Count	0
23677676	Defined_Atom_Stereo_Count	0
21769	Molecular_Weight	348.9
45875	Defined_Bond_Stereo_Count	0
66545	Exact_Mass	238.04121336
1550874	Hydrogen_Bond_Donor_Count	2
57725	Mono_Isotopic_Weight	286.099379685
5367415	Isotope_Atom_Count	0
62583	Defined_Bond_Stereo_Count	0
69334703	Structure_Complexity	65.1
10654175	Covalent_Unit_Count	1
60921	Structure_Complexity	979
22125	Structure_Complexity	395
139591683	Total_Formal_Charge	0
21255244	Hydrogen_Bond_Acceptor_Count	3
3035842	Molecular_Weight	165.24
16227342	Exact_Mass	109.027611728
82746	TPSA	75.8
159199	Undefined_Atom_Stereo_Count	0
750287	Isotope_Atom_Count	0
5898	Structure_Complexity	354
36976	Covalent_Unit_Count	1
25171876	Defined_Bond_Stereo_Count	0
57825223	Covalent_Unit_Count	1
3777159	Rotatable_Bond_Count	3
2163	Covalent_Unit_Count	1
86154978	Mono_Isotopic_Weight	343.04002688
103563227	Defined_Bond_Stereo_Count	0
7850	Tautomer_Count	1
72725	Molecular_Weight	212.20
9548810	Structure_Complexity	140
123835510	Undefined_Atom_Stereo_Count	3
59177	Undefined_Atom_Stereo_Count	1
11419335	Total_Formal_Charge	0
52654	Mono_Isotopic_Weight	252.220163521
11077530	TPSA	86
865	Rotatable_Bond_Count	6
6540262	Molecular_Weight	98.15
11870469	Hydrogen_Bond_Donor_Count	2
91972121	Molecular_Weight	1345.4
588352	Non-hydrogen_Atom_Count	18
239377	TPSA	29.5
9102	Total_Formal_Charge	0
87155	Total_Formal_Charge	0
79632	Non-hydrogen_Atom_Count	47
96381	Defined_Atom_Stereo_Count	0
54608508	Defined_Bond_Stereo_Count	2
409347	Rotatable_Bond_Count	7
68675439	Structure_Complexity	74.6
69294796	Isotope_Atom_Count	0
74441105	XLogP3-AA	1.8
82650926	Covalent_Unit_Count	1
91434	Isotope_Atom_Count	0
66071945	Exact_Mass	111.068413911
57864687	Undefined_Bond_Stereo_Count	0
23724843	Isotope_Atom_Count	0
76225552	Total_Formal_Charge	0
247769	TPSA	26
54205474	TPSA	12
12740469	Molecular_Weight	114.14
57091294	Hydrogen_Bond_Donor_Count	1
135977933	Exact_Mass	280.001424
5487713	Defined_Bond_Stereo_Count	1
11332423	Hydrogen_Bond_Donor_Count	2
90488850	Undefined_Bond_Stereo_Count	1
354	Structure_Complexity	228
5366149	Structure_Complexity	70.1
19802062	Total_Formal_Charge	0
52007	TPSA	41.1
2735122	Tautomer_Count	1
141225356	Defined_Bond_Stereo_Count	1
123458	TPSA	35.2
4756	Molecular_Weight	213.24
3067	Exact_Mass	561.29511936
65576	Covalent_Unit_Count	1
16126651	Mono_Isotopic_Weight	440.19607403
73376	Exact_Mass	207.03877100
67511	Exact_Mass	86.036779430
155008	Exact_Mass	556.13694696
448545	Rotatable_Bond_Count	6
21136198	TPSA	18.5
23676745	Total_Formal_Charge	0
73707487	Total_Formal_Charge	0
16217852	XLogP3-AA	0.4
11600642	Rotatable_Bond_Count	3
6066	Tautomer_Count	1
2741326	Structure_Complexity	227
4185	TPSA	164
2762919	Covalent_Unit_Count	1
585999	TPSA	80.4
89061875	Defined_Bond_Stereo_Count	0
85786508	TPSA	20.2
2167	Covalent_Unit_Count	1
561096	TPSA	0
55399	Rotatable_Bond_Count	21
362828	Exact_Mass	297.11134135
2723755	Hydrogen_Bond_Donor_Count	0
54761306	Covalent_Unit_Count	1
14337609	Mono_Isotopic_Weight	96.057514874
15209693	Undefined_Atom_Stereo_Count	0
23916	Mono_Isotopic_Weight	140.156500638
56205	Structure_Complexity	672
20287220	Isotope_Atom_Count	0
14435951	TPSA	29.1
23672568	Exact_Mass	484.05995429
68110	Defined_Bond_Stereo_Count	0
556485	Exact_Mass	112.088815002
10909499	Hydrogen_Bond_Acceptor_Count	2
15413224	Hydrogen_Bond_Donor_Count	3
65573725	Exact_Mass	98.036779430
11554076	XLogP3-AA	2.4
53326032	XLogP3-AA	1.8
72424	Mono_Isotopic_Weight	830.22828114
88142236	Defined_Atom_Stereo_Count	0
25200298	Structure_Complexity	1830
92938	Defined_Bond_Stereo_Count	0
13346655	TPSA	26.3
146474223	Exact_Mass	116.047344113
13073879	Rotatable_Bond_Count	3
70002683	Exact_Mass	98.036779430
393601	Rotatable_Bond_Count	7
58880543	Undefined_Bond_Stereo_Count	0
64302	Total_Formal_Charge	0
81184	Rotatable_Bond_Count	0
27212	TPSA	46.5
70722	Undefined_Bond_Stereo_Count	0
5460544	Mono_Isotopic_Weight	145.03750770
63198	Structure_Complexity	344
643941	TPSA	17.1
945090	Structure_Complexity	369
81653	Mono_Isotopic_Weight	101.120449483
39860873	Isotope_Atom_Count	0
71365	Hydrogen_Bond_Donor_Count	2
198140	Exact_Mass	215.105862047
5231957	Hydrogen_Bond_Donor_Count	2
115080007	Structure_Complexity	78.4
6509808	Exact_Mass	515.19124889
17860	Hydrogen_Bond_Donor_Count	0
153442	Mono_Isotopic_Weight	275.9721158
59347	Tautomer_Count	1
4366885	Defined_Bond_Stereo_Count	0
123223	Exact_Mass	104.083729621
92649	Isotope_Atom_Count	0
82148	Undefined_Bond_Stereo_Count	0
16217526	Defined_Atom_Stereo_Count	12
104802	Mono_Isotopic_Weight	346.16008244
17963363	Non-hydrogen_Atom_Count	34
50997747	Molecular_Weight	380.4
16222096	TPSA	64.6
6918248	Tautomer_Count	2
12594991	Hydrogen_Bond_Acceptor_Count	1
12298558	Exact_Mass	115.063328530
49864536	Rotatable_Bond_Count	6
2966	Defined_Bond_Stereo_Count	0
102492967	Hydrogen_Bond_Acceptor_Count	8
62080	Undefined_Bond_Stereo_Count	0
86276476	Hydrogen_Bond_Acceptor_Count	13
15981450	Isotope_Atom_Count	0
139026056	Exact_Mass	342.11621151
71608540	Mono_Isotopic_Weight	598.35592871
5421897	Non-hydrogen_Atom_Count	23
15980798	Defined_Bond_Stereo_Count	0
12882458	Hydrogen_Bond_Acceptor_Count	1
14496	Hydrogen_Bond_Acceptor_Count	1
2812	Structure_Complexity	396
10161381	Defined_Bond_Stereo_Count	0
60662	Rotatable_Bond_Count	12
7315	Isotope_Atom_Count	0
62669683	Rotatable_Bond_Count	3
75349	Isotope_Atom_Count	0
13203	Rotatable_Bond_Count	0
448718	Undefined_Atom_Stereo_Count	0
11059434	Rotatable_Bond_Count	5
7111	TPSA	52
59999517	Hydrogen_Bond_Acceptor_Count	2
118797420	Rotatable_Bond_Count	1
53940807	Undefined_Atom_Stereo_Count	0
71584544	Defined_Bond_Stereo_Count	0
503737	Tautomer_Count	9
25015107	Structure_Complexity	635
93374	Undefined_Atom_Stereo_Count	0
9577272	Isotope_Atom_Count	0
2977	Hydrogen_Bond_Donor_Count	1
135406167	XLogP3	2.3
110968	Rotatable_Bond_Count	5
35740	Isotope_Atom_Count	0
53786	Total_Formal_Charge	0
567	Exact_Mass	279.009769
23462	Non-hydrogen_Atom_Count	9
12453880	Mono_Isotopic_Weight	112.088815002
53932534	Mono_Isotopic_Weight	115.063328530
62705689	Total_Formal_Charge	0
521	TPSA	409
57272093	Rotatable_Bond_Count	3
137118	Tautomer_Count	1
89576913	Defined_Atom_Stereo_Count	0
3397	Isotope_Atom_Count	0
90227	Exact_Mass	382.13339621
42350	Rotatable_Bond_Count	3
318232	Undefined_Atom_Stereo_Count	0
366248	Mono_Isotopic_Weight	872.66826128
50989726	Rotatable_Bond_Count	0
16540	Covalent_Unit_Count	1
22636790	Rotatable_Bond_Count	3
8753	Mono_Isotopic_Weight	339.2692779
10932	TPSA	63.3
25008765	Total_Formal_Charge	0
98181809	Hydrogen_Bond_Donor_Count	1
3918	Molecular_Weight	257.37
7161	TPSA	35.5
7707	Covalent_Unit_Count	1
129681809	Covalent_Unit_Count	1
19354	Tautomer_Count	1
164512	Total_Formal_Charge	0
25144319	Hydrogen_Bond_Acceptor_Count	10
11093674	Exact_Mass	98.073164938
451239	Undefined_Bond_Stereo_Count	0
2958	Undefined_Atom_Stereo_Count	6
710762	Exact_Mass	270.10044231
87809064	Covalent_Unit_Count	1
87110	Exact_Mass	151.0188769
91810695	Mono_Isotopic_Weight	976.3034938
101916	Isotope_Atom_Count	0
45488110	Structure_Complexity	722
687044	Defined_Bond_Stereo_Count	0
175854	Defined_Bond_Stereo_Count	1
44338970	Mono_Isotopic_Weight	485.11128449
189914	Exact_Mass	450.23257867
66559276	Undefined_Bond_Stereo_Count	0
5224206	Hydrogen_Bond_Donor_Count	0
23724510	Exact_Mass	1711.80301090
5391	Rotatable_Bond_Count	1
673970	Defined_Bond_Stereo_Count	0
89576915	Structure_Complexity	120
13348970	Undefined_Atom_Stereo_Count	0
87853465	Isotope_Atom_Count	0
15801221	Undefined_Bond_Stereo_Count	0
10233356	Mono_Isotopic_Weight	657.19428341
135084	Rotatable_Bond_Count	9
22308	Covalent_Unit_Count	1
6913	Isotope_Atom_Count	0
5311505	Molecular_Weight	449.6
5460544	Undefined_Atom_Stereo_Count	0
951	Isotope_Atom_Count	0
9363	Non-hydrogen_Atom_Count	16
4584	Non-hydrogen_Atom_Count	57
70689318	Defined_Bond_Stereo_Count	0
58512812	Undefined_Bond_Stereo_Count	0
9832383	Defined_Atom_Stereo_Count	2
2782351	Undefined_Bond_Stereo_Count	0
8863	Defined_Atom_Stereo_Count	0
107887	Defined_Bond_Stereo_Count	0
22061693	Non-hydrogen_Atom_Count	8
12213229	Structure_Complexity	238
673970	TPSA	122
941650	Non-hydrogen_Atom_Count	30
51371732	Undefined_Atom_Stereo_Count	0
86302	XLogP3-AA	0.5
135398559	Hydrogen_Bond_Acceptor_Count	10
15739356	Structure_Complexity	127
10881	Defined_Bond_Stereo_Count	0
47183	Mono_Isotopic_Weight	362.1761058
515443	Undefined_Bond_Stereo_Count	0
14010989	Defined_Atom_Stereo_Count	0
71815	Rotatable_Bond_Count	2
64822	Exact_Mass	243.0298355
17882722	Rotatable_Bond_Count	0
176505	Defined_Atom_Stereo_Count	0
44455701	Hydrogen_Bond_Acceptor_Count	9
11783895	Undefined_Bond_Stereo_Count	0
97792	Molecular_Weight	132.16
66545744	Defined_Atom_Stereo_Count	2
4604180	Total_Formal_Charge	0
9574101	Structure_Complexity	731
8599	Hydrogen_Bond_Acceptor_Count	7
3054073	Rotatable_Bond_Count	0
17429	Exact_Mass	113.084063974
141024055	Covalent_Unit_Count	1
112711232	Total_Formal_Charge	0
7017816	Mono_Isotopic_Weight	108.068748264
139590596	Defined_Atom_Stereo_Count	8
24759314	Defined_Bond_Stereo_Count	0
69026	Exact_Mass	218.83535
10809678	TPSA	41.6
88709052	Exact_Mass	103.063328530
11285588	Exact_Mass	731.30002740
194622	Hydrogen_Bond_Acceptor_Count	5
4351	Molecular_Weight	188.27
91731	Undefined_Atom_Stereo_Count	0
106228050	Total_Formal_Charge	0
9115	Hydrogen_Bond_Donor_Count	0
6604495	Defined_Bond_Stereo_Count	0
15615	Total_Formal_Charge	0
74180	Non-hydrogen_Atom_Count	20
11967214	Exact_Mass	801.34907
141103237	Undefined_Atom_Stereo_Count	2
135402045	Non-hydrogen_Atom_Count	17
52553	Total_Formal_Charge	0
375860	TPSA	47.6
5086	Total_Formal_Charge	0
11517146	Structure_Complexity	568
10877967	Hydrogen_Bond_Donor_Count	0
129788170	Undefined_Bond_Stereo_Count	0
518234	Hydrogen_Bond_Acceptor_Count	1
15801221	Undefined_Atom_Stereo_Count	0
59168911	XLogP3-AA	0.6
243556	Undefined_Bond_Stereo_Count	0
164135990	Molecular_Weight	95.14
31729	Exact_Mass	287.15214353
7081	Structure_Complexity	278
53317123	Total_Formal_Charge	0
101658	Rotatable_Bond_Count	2
122172945	Defined_Atom_Stereo_Count	11
107947	Hydrogen_Bond_Donor_Count	4
4036	Undefined_Bond_Stereo_Count	0
79882	Covalent_Unit_Count	1
87468080	Hydrogen_Bond_Donor_Count	0
2794666	Hydrogen_Bond_Donor_Count	2
69640	Hydrogen_Bond_Acceptor_Count	2
1394	Defined_Bond_Stereo_Count	0
146265392	Rotatable_Bond_Count	1
62325	Exact_Mass	106.0185425
9819356	XLogP3-AA	4.5
38972	Undefined_Bond_Stereo_Count	0
2795887	Undefined_Bond_Stereo_Count	0
44310781	Covalent_Unit_Count	1
1125887	Undefined_Atom_Stereo_Count	0
75879	Structure_Complexity	516
58227482	Covalent_Unit_Count	1
91713	Covalent_Unit_Count	1
11719190	Structure_Complexity	616
7567	Defined_Bond_Stereo_Count	0
9881504	Tautomer_Count	2
13086	Defined_Atom_Stereo_Count	0
90864	Non-hydrogen_Atom_Count	20
73433	Structure_Complexity	148
9331	Hydrogen_Bond_Acceptor_Count	4
20324725	Defined_Bond_Stereo_Count	0
31477	Rotatable_Bond_Count	8
44229138	Defined_Bond_Stereo_Count	0
11461044	Total_Formal_Charge	0
4451502	Mono_Isotopic_Weight	88.016043985
62542	Defined_Bond_Stereo_Count	0
501	Total_Formal_Charge	0
85768913	Hydrogen_Bond_Donor_Count	0
12648409	Hydrogen_Bond_Donor_Count	1
16129704	Defined_Atom_Stereo_Count	16
25201614	XLogP3-AA	0.7
54192233	Total_Formal_Charge	0
3018598	Molecular_Weight	327.40
11979316	Defined_Atom_Stereo_Count	0
23713799	TPSA	90.8
442941	Undefined_Atom_Stereo_Count	0
78521	Undefined_Bond_Stereo_Count	0
11523	Total_Formal_Charge	0
4552223	Undefined_Bond_Stereo_Count	0
64456	Exact_Mass	224.13471982
135399235	XLogP3-AA	1.6
535823	Hydrogen_Bond_Donor_Count	0
71611	Undefined_Atom_Stereo_Count	0
453077	Molecular_Weight	220.27
6328684	Total_Formal_Charge	1
18924037	Non-hydrogen_Atom_Count	8
14494974	Non-hydrogen_Atom_Count	7
69932654	Non-hydrogen_Atom_Count	8
7239	Rotatable_Bond_Count	0
18470	TPSA	0
71583159	Structure_Complexity	676
135565884	Mono_Isotopic_Weight	471.22703980
6961	Hydrogen_Bond_Donor_Count	4
53472153	Isotope_Atom_Count	0
11136668	Covalent_Unit_Count	1
9234	Rotatable_Bond_Count	0
297183	Structure_Complexity	158
6722	Tautomer_Count	6
9030	Structure_Complexity	65.2
140233814	Rotatable_Bond_Count	1
648601	Mono_Isotopic_Weight	257.10519334
5283547	Undefined_Bond_Stereo_Count	0
20206342	Structure_Complexity	97.4
82718176	Structure_Complexity	92.5
97783	Defined_Bond_Stereo_Count	0
87282052	Mono_Isotopic_Weight	103.038176411
104865	Exact_Mass	551.18385484
447249	Isotope_Atom_Count	0
61594	Covalent_Unit_Count	1
73759809	Hydrogen_Bond_Donor_Count	3
18949974	Hydrogen_Bond_Acceptor_Count	3
6957644	Hydrogen_Bond_Acceptor_Count	6
19920	Mono_Isotopic_Weight	116.083729621
53320294	TPSA	51.7
56008	Structure_Complexity	710
13925935	Covalent_Unit_Count	1
60196333	Total_Formal_Charge	0
66503	Hydrogen_Bond_Donor_Count	2
58664	Molecular_Weight	319.74
10295295	Undefined_Bond_Stereo_Count	0
65495	Hydrogen_Bond_Acceptor_Count	5
3003141	Isotope_Atom_Count	0
15460	Hydrogen_Bond_Acceptor_Count	0
516902	Tautomer_Count	1
10669	Covalent_Unit_Count	1
57401194	TPSA	73.5
123664	Total_Formal_Charge	0
71742521	Covalent_Unit_Count	1
21107383	Structure_Complexity	485
72187524	Defined_Bond_Stereo_Count	2
561861	Hydrogen_Bond_Donor_Count	1
3526102	Undefined_Atom_Stereo_Count	0
34231	Isotope_Atom_Count	0
7700	Structure_Complexity	186
16722116	Covalent_Unit_Count	2
64200	Defined_Atom_Stereo_Count	0
32966	XLogP3	0.2
123859265	Isotope_Atom_Count	0
55288840	Defined_Atom_Stereo_Count	0
44395117	Non-hydrogen_Atom_Count	31
84647611	Non-hydrogen_Atom_Count	7
1376	Total_Formal_Charge	0
62946	Undefined_Atom_Stereo_Count	0
55482	Structure_Complexity	593
59503407	Hydrogen_Bond_Acceptor_Count	6
7240	Mono_Isotopic_Weight	127.0188769
12259683	Mono_Isotopic_Weight	403.23587315
12293	Molecular_Weight	158.24
9128	Defined_Atom_Stereo_Count	0
16219856	Total_Formal_Charge	0
349094	Hydrogen_Bond_Donor_Count	1
57829	Mono_Isotopic_Weight	196.0421705
8126	Hydrogen_Bond_Donor_Count	0
13684981	Defined_Bond_Stereo_Count	0
18718236	Undefined_Bond_Stereo_Count	0
167266	Rotatable_Bond_Count	1
2733525	Covalent_Unit_Count	2
68976065	TPSA	12
21584147	Molecular_Weight	100.12
41022	Defined_Atom_Stereo_Count	0
129791	Hydrogen_Bond_Donor_Count	2
46830489	Exact_Mass	330.18444672
7764	Covalent_Unit_Count	1
11565240	Molecular_Weight	268.31
519415	TPSA	18.5
67075765	Hydrogen_Bond_Donor_Count	0
61341	Undefined_Atom_Stereo_Count	0
96338	TPSA	29.1
135409438	Mono_Isotopic_Weight	289.05760550
17174	Hydrogen_Bond_Donor_Count	0
11543746	Hydrogen_Bond_Donor_Count	1
10893439	Undefined_Bond_Stereo_Count	0
49985	Molecular_Weight	211.17
129873330	Molecular_Weight	98.10
23257217	Non-hydrogen_Atom_Count	17
3496	Rotatable_Bond_Count	4
6918788	Hydrogen_Bond_Donor_Count	1
92363	XLogP3	1.5
85989631	Hydrogen_Bond_Donor_Count	0
17855362	Hydrogen_Bond_Acceptor_Count	2
134160331	Hydrogen_Bond_Donor_Count	2
13235	Structure_Complexity	216
3083702	Total_Formal_Charge	0
10582755	Hydrogen_Bond_Acceptor_Count	1
142482	Defined_Bond_Stereo_Count	0
11450633	Undefined_Bond_Stereo_Count	0
164106781	Non-hydrogen_Atom_Count	8
32800	Mono_Isotopic_Weight	1142.35073945
68365444	Hydrogen_Bond_Acceptor_Count	2
5363095	Tautomer_Count	1
447362	Non-hydrogen_Atom_Count	30
16097	Undefined_Bond_Stereo_Count	0
22220113	Hydrogen_Bond_Donor_Count	1
538757	Non-hydrogen_Atom_Count	10
18670	Rotatable_Bond_Count	22
129638074	Non-hydrogen_Atom_Count	31
102090390	Undefined_Bond_Stereo_Count	0
10454	Non-hydrogen_Atom_Count	10
27501	Total_Formal_Charge	0
13348970	Structure_Complexity	66.7
12305986	Rotatable_Bond_Count	0
10062737	Hydrogen_Bond_Acceptor_Count	5
117569443	Total_Formal_Charge	0
6441265	Tautomer_Count	1001
115001	Hydrogen_Bond_Donor_Count	0
11051611	Covalent_Unit_Count	1
12077828	Molecular_Weight	348.4
123347340	TPSA	0
15504	XLogP3-AA	4
5288525	Covalent_Unit_Count	1
73351	Hydrogen_Bond_Donor_Count	4
68492470	Total_Formal_Charge	0
45408	Non-hydrogen_Atom_Count	22
21168	Undefined_Atom_Stereo_Count	0
601163	Non-hydrogen_Atom_Count	16
718	Undefined_Atom_Stereo_Count	4
543995	Exact_Mass	114.068079557
5359541	Non-hydrogen_Atom_Count	7
135565082	Defined_Atom_Stereo_Count	2
23704143	Undefined_Atom_Stereo_Count	0
31246	Tautomer_Count	2
14572930	Hydrogen_Bond_Donor_Count	0
136709	Hydrogen_Bond_Acceptor_Count	0
129668601	Isotope_Atom_Count	0
9883029	Exact_Mass	307.132076794
57864687	Defined_Atom_Stereo_Count	0
124769750	Molecular_Weight	284.35
4418048	Structure_Complexity	93.1
13736254	Covalent_Unit_Count	1
6432744	Non-hydrogen_Atom_Count	30
91114160	Undefined_Bond_Stereo_Count	0
763936	Rotatable_Bond_Count	1
17559	TPSA	205
1564	Defined_Bond_Stereo_Count	0
83860	Non-hydrogen_Atom_Count	42
28639	Hydrogen_Bond_Donor_Count	0
3049698	Non-hydrogen_Atom_Count	21
3388710	Isotope_Atom_Count	0
14041	Undefined_Atom_Stereo_Count	0
15561101	Isotope_Atom_Count	0
3776755	Defined_Bond_Stereo_Count	0
14826608	Mono_Isotopic_Weight	99.032028402
57401681	TPSA	119
5329098	Hydrogen_Bond_Donor_Count	2
23355	TPSA	72.7
51369	TPSA	46.6
4438527	Defined_Atom_Stereo_Count	0
11154544	Defined_Bond_Stereo_Count	0
83131	Hydrogen_Bond_Donor_Count	2
451189	Non-hydrogen_Atom_Count	12
66683197	Mono_Isotopic_Weight	325.15904043
123346247	Mono_Isotopic_Weight	108.093900383
165506	Hydrogen_Bond_Donor_Count	1
54682505	Total_Formal_Charge	0
2724995	Defined_Bond_Stereo_Count	0
57394211	XLogP3-AA	3.9
9363	Total_Formal_Charge	0
44370729	Structure_Complexity	344
81762	Isotope_Atom_Count	0
72200668	Molecular_Weight	317.36
50100	Undefined_Bond_Stereo_Count	0
55284719	Isotope_Atom_Count	0
168131	Mono_Isotopic_Weight	251.154823615
2735045	Hydrogen_Bond_Donor_Count	0
448537	Structure_Complexity	286
21724548	Structure_Complexity	645
21979976	Rotatable_Bond_Count	1
201828	Exact_Mass	213.115364102
10059810	Hydrogen_Bond_Donor_Count	3
135419182	Covalent_Unit_Count	1
71451390	Molecular_Weight	475.0
45085104	Defined_Atom_Stereo_Count	0
66456	Undefined_Atom_Stereo_Count	0
25244090	Molecular_Weight	198.18
135436533	TPSA	108
12443	Non-hydrogen_Atom_Count	15
5353584	Defined_Atom_Stereo_Count	0
3694570	Rotatable_Bond_Count	7
8246	Mono_Isotopic_Weight	302.06299
38258	Covalent_Unit_Count	1
18212	Non-hydrogen_Atom_Count	14
53316386	Structure_Complexity	823
137017	Total_Formal_Charge	0
4636051	Mono_Isotopic_Weight	385.94736
9153	Non-hydrogen_Atom_Count	20
15561101	Defined_Bond_Stereo_Count	0
17779280	TPSA	51.2
71152	Covalent_Unit_Count	1
25961	Rotatable_Bond_Count	6
59336	Exact_Mass	366.19434270
94154	TPSA	101
20838642	Isotope_Atom_Count	0
91248258	TPSA	47.3
25959	Molecular_Weight	211.95
20965	Rotatable_Bond_Count	6
7247	Covalent_Unit_Count	1
21989159	Undefined_Atom_Stereo_Count	5
22162	Defined_Atom_Stereo_Count	0
2733294	Hydrogen_Bond_Acceptor_Count	2
198790	Mono_Isotopic_Weight	371.94327
67849558	Total_Formal_Charge	0
216239	Covalent_Unit_Count	1
26927	Covalent_Unit_Count	1
5459910	Structure_Complexity	547
70689065	Defined_Atom_Stereo_Count	0
826843	Structure_Complexity	369
2526	Undefined_Bond_Stereo_Count	0
9885961	Isotope_Atom_Count	0
66558601	Covalent_Unit_Count	1
5359464	Defined_Bond_Stereo_Count	0
5352449	Total_Formal_Charge	0
19892314	Hydrogen_Bond_Acceptor_Count	5
3077451	Non-hydrogen_Atom_Count	8
5460819	Isotope_Atom_Count	0
5815211	Tautomer_Count	1
6262774	Total_Formal_Charge	0
23151396	Hydrogen_Bond_Donor_Count	2
56518	Exact_Mass	277.1233420
6604909	Defined_Bond_Stereo_Count	0
6485793	Total_Formal_Charge	0
123816513	Defined_Bond_Stereo_Count	0
54247939	Molecular_Weight	111.14
756	Hydrogen_Bond_Acceptor_Count	2
71584542	Exact_Mass	413.18517499
60820	Exact_Mass	421.27292737
5327006	Defined_Atom_Stereo_Count	1
70314955	Exact_Mass	112.027277375
47825	Defined_Bond_Stereo_Count	0
308140	Exact_Mass	374.07903816
11306	Defined_Atom_Stereo_Count	0
57404290	Undefined_Atom_Stereo_Count	1
5353500	Non-hydrogen_Atom_Count	35
227085	Covalent_Unit_Count	1
76155	Undefined_Atom_Stereo_Count	0
41465	Exact_Mass	256.240230259
123799979	Rotatable_Bond_Count	0
271814	Mono_Isotopic_Weight	256.146329876
62118	Structure_Complexity	59.5
77572	Covalent_Unit_Count	1
975620	TPSA	24.9
4369414	Hydrogen_Bond_Donor_Count	1
6028	Mono_Isotopic_Weight	229.885975
118578546	Molecular_Weight	100.16
5360516	XLogP3	2.9
7375	Tautomer_Count	1
6237	Non-hydrogen_Atom_Count	22
65667	Exact_Mass	577.32641949
88489334	Undefined_Atom_Stereo_Count	0
5241	Molecular_Weight	597.96
135413546	Mono_Isotopic_Weight	323.00179
12251749	Hydrogen_Bond_Acceptor_Count	1
53818	Undefined_Bond_Stereo_Count	0
2142	Exact_Mass	585.28573644
6137	Non-hydrogen_Atom_Count	9
5742590	Defined_Bond_Stereo_Count	0
65105	TPSA	52.3
5746387	Structure_Complexity	418
20473149	Molecular_Weight	146.14
11123757	Defined_Atom_Stereo_Count	0
150175	Exact_Mass	237.06372245
155803776	Defined_Bond_Stereo_Count	0
80037	Covalent_Unit_Count	1
65055	Isotope_Atom_Count	0
3781	Exact_Mass	285.12996879
81466	Total_Formal_Charge	0
54562	Covalent_Unit_Count	1
4008	Undefined_Bond_Stereo_Count	0
24642	Defined_Atom_Stereo_Count	0
840853	Non-hydrogen_Atom_Count	13
11137890	Isotope_Atom_Count	0
10379137	Rotatable_Bond_Count	5
22607060	Hydrogen_Bond_Donor_Count	0
57992175	Exact_Mass	417.22770851
547064	Defined_Bond_Stereo_Count	0
5530	Exact_Mass	133.089149355
9960	Total_Formal_Charge	0
9841233	Hydrogen_Bond_Acceptor_Count	4
67947	Rotatable_Bond_Count	1
55062	Defined_Bond_Stereo_Count	0
133126687	Undefined_Bond_Stereo_Count	0
31390	Rotatable_Bond_Count	3
4580	Hydrogen_Bond_Donor_Count	3
78234	Rotatable_Bond_Count	12
11547499	Undefined_Bond_Stereo_Count	0
12028	Defined_Atom_Stereo_Count	0
17649	Defined_Atom_Stereo_Count	1
57390700	Hydrogen_Bond_Acceptor_Count	9
9806190	Covalent_Unit_Count	1
97982	Non-hydrogen_Atom_Count	15
94527	Isotope_Atom_Count	0
77676	Total_Formal_Charge	0
21075956	Total_Formal_Charge	0
66072	Undefined_Atom_Stereo_Count	0
12674802	XLogP3-AA	4.2
11545	Covalent_Unit_Count	2
11842633	Molecular_Weight	504.6
75194	Non-hydrogen_Atom_Count	30
8765	Hydrogen_Bond_Donor_Count	2
6445091	Undefined_Atom_Stereo_Count	0
16663248	Total_Formal_Charge	0
53846427	Molecular_Weight	416.6
551630	Exact_Mass	207.125928785
141169622	Mono_Isotopic_Weight	101.047678466
94320	Defined_Bond_Stereo_Count	0
2083	TPSA	72.7
14341511	XLogP3-AA	0.2
12226	Hydrogen_Bond_Acceptor_Count	1
22227703	Tautomer_Count	3
52038	Defined_Bond_Stereo_Count	0
16969	Exact_Mass	120.093900383
119032	Defined_Bond_Stereo_Count	0
23688359	TPSA	197
139081837	Molecular_Weight	367.4
69957602	Defined_Bond_Stereo_Count	0
1728	Defined_Atom_Stereo_Count	0
5355853	Total_Formal_Charge	0
140568	Undefined_Bond_Stereo_Count	0
677105	Mono_Isotopic_Weight	301.0175567
43636	XLogP3-AA	6.1
86916	Tautomer_Count	1
701186	Defined_Atom_Stereo_Count	1
17779	Mono_Isotopic_Weight	112.125200510
5440	Total_Formal_Charge	0
72002	Defined_Atom_Stereo_Count	0
136037280	Covalent_Unit_Count	1
53881088	Undefined_Bond_Stereo_Count	0
13224	Undefined_Bond_Stereo_Count	0
494519	Mono_Isotopic_Weight	399.13180201
155288862	Covalent_Unit_Count	2
92196	Undefined_Bond_Stereo_Count	0
21872570	Undefined_Bond_Stereo_Count	0
76539	Total_Formal_Charge	0
52105	Defined_Bond_Stereo_Count	0
23366185	Rotatable_Bond_Count	2
53674114	Undefined_Bond_Stereo_Count	0
35898	Defined_Bond_Stereo_Count	0
69448	Rotatable_Bond_Count	2
98330	Defined_Atom_Stereo_Count	0
70677682	Non-hydrogen_Atom_Count	30
10866300	Covalent_Unit_Count	1
16280	Structure_Complexity	212
14639247	Undefined_Atom_Stereo_Count	1
21816393	XLogP3-AA	0.4
5282230	Total_Formal_Charge	0
118988662	Molecular_Weight	591.1
134715568	Undefined_Bond_Stereo_Count	0
2782524	Structure_Complexity	97.9
74764517	TPSA	60.7
118984355	Undefined_Bond_Stereo_Count	0
146681183	Undefined_Bond_Stereo_Count	0
11512	Defined_Atom_Stereo_Count	0
16687131	Mono_Isotopic_Weight	110.109550447
11418	Isotope_Atom_Count	0
4932	TPSA	58.6
88888	Hydrogen_Bond_Acceptor_Count	1
65575055	Hydrogen_Bond_Acceptor_Count	1
97736001	Defined_Bond_Stereo_Count	0
131632024	XLogP3-AA	2.3
8878	XLogP3-AA	3.2
5250507	Non-hydrogen_Atom_Count	16
677105	Defined_Bond_Stereo_Count	0
3082221	Hydrogen_Bond_Acceptor_Count	5
9804302	Non-hydrogen_Atom_Count	30
841	Exact_Mass	164.06847348
101	Isotope_Atom_Count	0
68991415	Structure_Complexity	74.5
16667669	Hydrogen_Bond_Acceptor_Count	10
76415	Mono_Isotopic_Weight	308.083729621
10586	Hydrogen_Bond_Donor_Count	1
439231	Tautomer_Count	4
230995	Defined_Atom_Stereo_Count	0
9704	Undefined_Bond_Stereo_Count	0
15234	TPSA	43.4
72155	Total_Formal_Charge	0
763185	Defined_Atom_Stereo_Count	0
15604	Tautomer_Count	1
35330	Defined_Atom_Stereo_Count	0
159250	Hydrogen_Bond_Donor_Count	6
138673	Rotatable_Bond_Count	3
550030	Non-hydrogen_Atom_Count	10
18542136	Undefined_Atom_Stereo_Count	0
134688930	Undefined_Bond_Stereo_Count	0
71306828	Non-hydrogen_Atom_Count	40
16109396	Rotatable_Bond_Count	7
91683	Rotatable_Bond_Count	3
145707274	Hydrogen_Bond_Donor_Count	1
95864	Undefined_Bond_Stereo_Count	0
673820	Exact_Mass	276.97721
25079036	Structure_Complexity	2760
64972	Defined_Bond_Stereo_Count	0
70917	Mono_Isotopic_Weight	182.130679813
44443935	Isotope_Atom_Count	0
11263727	Rotatable_Bond_Count	0
130845868	Total_Formal_Charge	0
14274724	Molecular_Weight	352.6
13420638	Hydrogen_Bond_Donor_Count	0
122389028	Mono_Isotopic_Weight	376.15220310
164826	Defined_Bond_Stereo_Count	0
98614	Rotatable_Bond_Count	0
12171	Undefined_Atom_Stereo_Count	0
6295	Non-hydrogen_Atom_Count	20
23667627	Total_Formal_Charge	0
129791	Hydrogen_Bond_Acceptor_Count	5
78485	Total_Formal_Charge	0
69342023	TPSA	76.7
2209	Defined_Bond_Stereo_Count	0
60574	Structure_Complexity	326
561657	Defined_Atom_Stereo_Count	0
12242919	Covalent_Unit_Count	1
4934	TPSA	35.5
6489	XLogP3	2.3
115017	Exact_Mass	152.062600255
5053	Rotatable_Bond_Count	7
126505488	Molecular_Weight	284.35
54580845	TPSA	34.2
151257062	Defined_Atom_Stereo_Count	0
13348002	Mono_Isotopic_Weight	108.093900383
56622517	Covalent_Unit_Count	1
11083832	Molecular_Weight	96.09
69173085	Total_Formal_Charge	0
10784	Defined_Bond_Stereo_Count	0
53315818	Hydrogen_Bond_Acceptor_Count	3
12768403	Hydrogen_Bond_Donor_Count	2
102518	Hydrogen_Bond_Donor_Count	2
6091	Hydrogen_Bond_Donor_Count	1
118460906	Defined_Atom_Stereo_Count	6
6300	Tautomer_Count	3
3819932	TPSA	51
667639	Non-hydrogen_Atom_Count	18
44344734	Covalent_Unit_Count	1
26038	Exact_Mass	311.74429
4781	Covalent_Unit_Count	1
12816253	Molecular_Weight	117.15
3266	Total_Formal_Charge	0
60196360	Defined_Bond_Stereo_Count	0
85812	Undefined_Bond_Stereo_Count	0
5562	Molecular_Weight	302.37
543047	Exact_Mass	114.068079557
40466862	TPSA	163
23264402	Exact_Mass	110.073164938
42231	Tautomer_Count	4
21698764	Non-hydrogen_Atom_Count	8
14106	Undefined_Bond_Stereo_Count	0
25324	Hydrogen_Bond_Acceptor_Count	2
49756	Total_Formal_Charge	0
60510	Hydrogen_Bond_Acceptor_Count	2
10256440	Exact_Mass	530.17770440
10820479	Hydrogen_Bond_Donor_Count	1
16659676	Exact_Mass	449.1490768
13078198	Defined_Atom_Stereo_Count	0
5283742	Exact_Mass	416.32904526
162290	Non-hydrogen_Atom_Count	46
184934	Defined_Atom_Stereo_Count	0
11137094	Exact_Mass	94.078250319
1791111	Defined_Bond_Stereo_Count	0
524646	Defined_Atom_Stereo_Count	0
20746480	Isotope_Atom_Count	0
53694406	XLogP3-AA	2.8
80676	Hydrogen_Bond_Acceptor_Count	2
127030167	Undefined_Atom_Stereo_Count	0
156391	XLogP3	3.3
65905	Exact_Mass	323.19573968
15213038	Undefined_Atom_Stereo_Count	2
20266	Hydrogen_Bond_Acceptor_Count	4
7416	XLogP3	1.9
88793951	Isotope_Atom_Count	0
56638112	Defined_Bond_Stereo_Count	0
22505043	Mono_Isotopic_Weight	99.068413911
59105109	Hydrogen_Bond_Acceptor_Count	6
84647654	Mono_Isotopic_Weight	111.068413911
16249	Isotope_Atom_Count	0
135398638	Molecular_Weight	136.11
130165	Total_Formal_Charge	0
14612499	Undefined_Atom_Stereo_Count	2
5282768	TPSA	37.3
16760139	Mono_Isotopic_Weight	152.01126970
108835	Defined_Bond_Stereo_Count	0
651720	Undefined_Atom_Stereo_Count	0
11249084	Rotatable_Bond_Count	6
126672220	Mono_Isotopic_Weight	111.068413911
13158036	Tautomer_Count	1
117814470	Molecular_Weight	212.13
69967	Tautomer_Count	1
11387605	Rotatable_Bond_Count	8
77405	Undefined_Bond_Stereo_Count	0
447545	Mono_Isotopic_Weight	659.20027549
1179	Exact_Mass	836.27523133
6869	Molecular_Weight	350.4
4611851	Hydrogen_Bond_Acceptor_Count	2
19169	Molecular_Weight	114.14
220272	Tautomer_Count	7
688356	Total_Formal_Charge	0
216258	Defined_Bond_Stereo_Count	0
765378	Structure_Complexity	154
643835	Hydrogen_Bond_Acceptor_Count	0
21932803	Defined_Bond_Stereo_Count	0
176096	XLogP3	2.7
15608605	XLogP3-AA	3.9
53643991	Undefined_Bond_Stereo_Count	0
41206	Non-hydrogen_Atom_Count	18
159809	Isotope_Atom_Count	0
16213884	Hydrogen_Bond_Acceptor_Count	8
21617086	Non-hydrogen_Atom_Count	8
84975	Defined_Atom_Stereo_Count	0
20746480	Defined_Bond_Stereo_Count	0
6359	Exact_Mass	161.86387
22902239	Rotatable_Bond_Count	0
50222	Molecular_Weight	432.5
87412180	Total_Formal_Charge	0
8018	Structure_Complexity	16.4
13543311	Isotope_Atom_Count	0
4662	Hydrogen_Bond_Donor_Count	7
28064676	Rotatable_Bond_Count	1
139179563	Covalent_Unit_Count	2
5364711	XLogP3-AA	6.9
22158518	Total_Formal_Charge	0
5284551	Undefined_Bond_Stereo_Count	0
13224	Defined_Atom_Stereo_Count	0
3290	Hydrogen_Bond_Acceptor_Count	3
146159565	Exact_Mass	515.25191714
14145	Hydrogen_Bond_Donor_Count	0
4438	Hydrogen_Bond_Donor_Count	3
18062	Structure_Complexity	167
6602103	TPSA	127
13424661	Covalent_Unit_Count	1
70754	Rotatable_Bond_Count	0
6440183	Molecular_Weight	175.18
9934492	Hydrogen_Bond_Acceptor_Count	13
122903	Isotope_Atom_Count	0
4684	Exact_Mass	128.0028925
181511	Isotope_Atom_Count	0
42095	Hydrogen_Bond_Acceptor_Count	5
5281616	Isotope_Atom_Count	0
2673	Covalent_Unit_Count	1
126994353	Isotope_Atom_Count	0
53260965	Exact_Mass	384.02483287
71884	Rotatable_Bond_Count	20
26447	TPSA	17.1
22459	XLogP3-AA	0
75705	Defined_Bond_Stereo_Count	0
24978536	Defined_Atom_Stereo_Count	0
25724	Hydrogen_Bond_Acceptor_Count	3
79123	Undefined_Atom_Stereo_Count	1
16395904	Total_Formal_Charge	0
66254	Molecular_Weight	192.07
137017	Isotope_Atom_Count	0
137031	Undefined_Atom_Stereo_Count	0
15394	Isotope_Atom_Count	0
5246202	Rotatable_Bond_Count	7
129090013	Total_Formal_Charge	0
12242919	Structure_Complexity	0
8698	XLogP3	3.8
54584292	Total_Formal_Charge	0
10578	Molecular_Weight	518.5
84029	TPSA	183
9920369	Molecular_Weight	97.12
68381	Covalent_Unit_Count	1
54582799	Defined_Atom_Stereo_Count	0
725544	Defined_Bond_Stereo_Count	0
59918	Defined_Bond_Stereo_Count	0
98048102	Structure_Complexity	756
5284632	XLogP3-AA	4.4
44431171	Defined_Atom_Stereo_Count	2
51347395	Molecular_Weight	415.33
142551	Tautomer_Count	1
117736498	Total_Formal_Charge	0
44373822	Rotatable_Bond_Count	28
5485193	Structure_Complexity	619
84715998	Isotope_Atom_Count	0
87254	Hydrogen_Bond_Donor_Count	1
5328940	Non-hydrogen_Atom_Count	36
396765	Undefined_Bond_Stereo_Count	4
12614	Defined_Atom_Stereo_Count	0
36978	Non-hydrogen_Atom_Count	21
452498	Total_Formal_Charge	0
11317883	Total_Formal_Charge	0
7057961	Defined_Bond_Stereo_Count	0
29393	Defined_Bond_Stereo_Count	0
5462951	Undefined_Atom_Stereo_Count	2
3450	Mono_Isotopic_Weight	510.46346778
73465	Exact_Mass	246.125594432
556722	Isotope_Atom_Count	0
1548943	Total_Formal_Charge	0
50990560	Exact_Mass	842.51400504
73277	Exact_Mass	113.9984758
6431301	Isotope_Atom_Count	0
14197638	Molecular_Weight	109.13
9925544	Defined_Bond_Stereo_Count	1
3359	Undefined_Bond_Stereo_Count	0
65718	Total_Formal_Charge	0
90916291	Hydrogen_Bond_Acceptor_Count	1
18760539	Undefined_Bond_Stereo_Count	0
135771852	Defined_Atom_Stereo_Count	4
57054	Defined_Atom_Stereo_Count	0
4707	Hydrogen_Bond_Acceptor_Count	5
24461	Defined_Bond_Stereo_Count	0
6335986	Structure_Complexity	744
57060020	TPSA	38
21023678	Rotatable_Bond_Count	0
123392765	TPSA	67.9
12285862	Isotope_Atom_Count	0
50925404	Structure_Complexity	685
41545	Undefined_Atom_Stereo_Count	0
136219154	Total_Formal_Charge	0
12673316	Covalent_Unit_Count	1
197883	Tautomer_Count	1
59630221	Isotope_Atom_Count	0
19859	Isotope_Atom_Count	0
71427280	Mono_Isotopic_Weight	112.063662883
123935295	Structure_Complexity	98.5
14789	Hydrogen_Bond_Donor_Count	2
6634	Mono_Isotopic_Weight	284.0134744
29339	Isotope_Atom_Count	0
70684314	Defined_Atom_Stereo_Count	0
153816117	Molecular_Weight	113.11
10364	Tautomer_Count	9
774	Defined_Atom_Stereo_Count	0
18712662	Hydrogen_Bond_Donor_Count	1
25142970	Isotope_Atom_Count	0
61453	Non-hydrogen_Atom_Count	11
441302	Defined_Atom_Stereo_Count	7
58051	Hydrogen_Bond_Acceptor_Count	4
22875828	Tautomer_Count	2
135412736	Tautomer_Count	1
12415	Total_Formal_Charge	0
43858	Undefined_Bond_Stereo_Count	0
123336	Undefined_Bond_Stereo_Count	0
107977	Exact_Mass	143.131014166
65741	Non-hydrogen_Atom_Count	16
57060020	Rotatable_Bond_Count	1
65600	Total_Formal_Charge	0
24211936	XLogP3	0.9
99940264	TPSA	190
12221	Non-hydrogen_Atom_Count	4
44392103	Structure_Complexity	651
2756	Hydrogen_Bond_Acceptor_Count	4
88631	Undefined_Atom_Stereo_Count	0
3249	Molecular_Weight	396.6
58242	Undefined_Bond_Stereo_Count	0
18719616	Defined_Atom_Stereo_Count	0
75355757	Isotope_Atom_Count	0
73357703	XLogP3-AA	0.3
154184678	Undefined_Atom_Stereo_Count	2
135436543	XLogP3	1.6
121290450	Mono_Isotopic_Weight	112.052429494
93093	Molecular_Weight	88.11
8556	Exact_Mass	334.00074133
10470886	Mono_Isotopic_Weight	314.14912384
6213	Exact_Mass	94.00885060
150762	Undefined_Atom_Stereo_Count	1
53480	Hydrogen_Bond_Acceptor_Count	1
11236353	Rotatable_Bond_Count	8
446541	Defined_Atom_Stereo_Count	0
24247	XLogP3-AA	2.3
19398	Non-hydrogen_Atom_Count	19
41097873	Rotatable_Bond_Count	0
57522038	Non-hydrogen_Atom_Count	27
16682839	Defined_Bond_Stereo_Count	0
8989	Rotatable_Bond_Count	12
88323	TPSA	64.9
4369563	Hydrogen_Bond_Donor_Count	2
349711	Hydrogen_Bond_Acceptor_Count	3
9874875	Hydrogen_Bond_Donor_Count	1
11051613	Undefined_Atom_Stereo_Count	1
11657	Hydrogen_Bond_Acceptor_Count	0
12559	Rotatable_Bond_Count	23
21075956	Hydrogen_Bond_Donor_Count	0
58242071	Mono_Isotopic_Weight	100.088815002
596	Exact_Mass	243.08552052
2164	TPSA	75.3
69465	Defined_Atom_Stereo_Count	0
68066	Structure_Complexity	564
46173802	Exact_Mass	562.09649219
5364420	Defined_Bond_Stereo_Count	1
295965	Defined_Atom_Stereo_Count	0
51371222	Hydrogen_Bond_Acceptor_Count	6
6931	XLogP3	2.8
81445	Total_Formal_Charge	0
16318	XLogP3	8.3
123959	Molecular_Weight	950.1
18785356	Isotope_Atom_Count	0
46909057	Defined_Bond_Stereo_Count	0
69732358	Mono_Isotopic_Weight	100.100048391
81332758	Mono_Isotopic_Weight	111.068413911
18432427	Undefined_Atom_Stereo_Count	0
2734174	Rotatable_Bond_Count	3
78423090	Structure_Complexity	291
11294	Exact_Mass	364.1706265
24685	Hydrogen_Bond_Acceptor_Count	2
9825084	Exact_Mass	452.10176275
19077508	Total_Formal_Charge	0
12320138	Hydrogen_Bond_Donor_Count	0
23667303	Structure_Complexity	736
91236903	Hydrogen_Bond_Donor_Count	0
24769	Defined_Bond_Stereo_Count	0
11389356	Hydrogen_Bond_Donor_Count	0
9819610	Defined_Bond_Stereo_Count	0
2000	XLogP3	0.6
65667	Undefined_Bond_Stereo_Count	0
196981	Hydrogen_Bond_Acceptor_Count	2
46231556	Covalent_Unit_Count	1
83517	Molecular_Weight	492.43
137944176	Covalent_Unit_Count	1
36858	Defined_Atom_Stereo_Count	0
443878	Hydrogen_Bond_Acceptor_Count	8
16687470	Structure_Complexity	936
12256	Defined_Bond_Stereo_Count	0
24202578	Total_Formal_Charge	0
60196366	Mono_Isotopic_Weight	539.93301
179832	Non-hydrogen_Atom_Count	8
134819268	Hydrogen_Bond_Donor_Count	7
93250	Structure_Complexity	539
6651	Defined_Bond_Stereo_Count	0
225688	Undefined_Bond_Stereo_Count	0
28102	Non-hydrogen_Atom_Count	23
20253250	Covalent_Unit_Count	1
10953798	Hydrogen_Bond_Donor_Count	0
19043571	XLogP3-AA	0.3
53835225	XLogP3-AA	1.4
55300514	Covalent_Unit_Count	1
13639661	Hydrogen_Bond_Donor_Count	1
54150248	Hydrogen_Bond_Donor_Count	1
7359	Total_Formal_Charge	0
74651	Defined_Bond_Stereo_Count	0
9883002	Tautomer_Count	1
543096	Rotatable_Bond_Count	1
14800	Total_Formal_Charge	1
21328181	Hydrogen_Bond_Acceptor_Count	3
511883	Total_Formal_Charge	0
21466713	Total_Formal_Charge	0
141315	XLogP3-AA	0.3
70308	Hydrogen_Bond_Donor_Count	0
54726193	Tautomer_Count	1000
17318	Exact_Mass	248.10800027
133134	Mono_Isotopic_Weight	554.28528295
24729360	Undefined_Bond_Stereo_Count	0
53317121	Covalent_Unit_Count	1
64466	Defined_Atom_Stereo_Count	0
6842999	Undefined_Atom_Stereo_Count	1
70688569	Mono_Isotopic_Weight	385.16510826
16048613	Hydrogen_Bond_Donor_Count	3
90498	Covalent_Unit_Count	1
66684245	Undefined_Atom_Stereo_Count	1
67570	Hydrogen_Bond_Acceptor_Count	0
57452	Hydrogen_Bond_Donor_Count	1
37419	Covalent_Unit_Count	1
54602908	Mono_Isotopic_Weight	426.139632
20503	Exact_Mass	388.22497412
285097	Molecular_Weight	184.27
129913833	Undefined_Bond_Stereo_Count	0
90479276	Structure_Complexity	1410
129812304	Exact_Mass	125.95870674
13748845	Exact_Mass	405.21403034
547738	Structure_Complexity	76.2
2734236	Exact_Mass	218.04186
139585852	Hydrogen_Bond_Donor_Count	0
72693	Tautomer_Count	24
14841958	Total_Formal_Charge	0
25799	Covalent_Unit_Count	1
26185	Non-hydrogen_Atom_Count	17
6018	Rotatable_Bond_Count	4
10887853	Defined_Bond_Stereo_Count	0
57869404	Mono_Isotopic_Weight	114.104465066
22271690	Undefined_Bond_Stereo_Count	0
3086674	Isotope_Atom_Count	1
71345	Non-hydrogen_Atom_Count	27
969212	Defined_Atom_Stereo_Count	2
53317194	Hydrogen_Bond_Donor_Count	2
42	Exact_Mass	214.04773803
163591174	Undefined_Bond_Stereo_Count	0
222	Undefined_Bond_Stereo_Count	0
3803614	XLogP3-AA	0.6
88043987	Undefined_Atom_Stereo_Count	3
17616	Molecular_Weight	168.23
11954	Mono_Isotopic_Weight	135.068413911
779642	Defined_Atom_Stereo_Count	0
24839622	TPSA	2440
7636	Molecular_Weight	184.27
71671	Undefined_Atom_Stereo_Count	1
121850	Defined_Bond_Stereo_Count	0
164576789	Isotope_Atom_Count	0
54108432	Exact_Mass	122.03433465
38884	Total_Formal_Charge	0
139062526	Structure_Complexity	376
76965007	Non-hydrogen_Atom_Count	26
34203	XLogP3-AA	2
18669	Hydrogen_Bond_Acceptor_Count	1
2108	Isotope_Atom_Count	0
69286	Undefined_Atom_Stereo_Count	0
6195	Tautomer_Count	1
140519105	Molecular_Weight	97.12
43976	Exact_Mass	328.0648413
5702609	Non-hydrogen_Atom_Count	19
4628	Non-hydrogen_Atom_Count	19
93143	Structure_Complexity	210
6908	TPSA	0
45157475	Total_Formal_Charge	0
132236745	Molecular_Weight	112.17
9049	TPSA	80
77763	Isotope_Atom_Count	0
10972	Undefined_Bond_Stereo_Count	0
7738	Mono_Isotopic_Weight	138.068079557
70403801	Molecular_Weight	228.27
164333	Hydrogen_Bond_Donor_Count	1
16371051	Structure_Complexity	532
24807614	Defined_Bond_Stereo_Count	9
21872570	Defined_Atom_Stereo_Count	0
23687810	Structure_Complexity	118
83904774	Total_Formal_Charge	0
989	TPSA	46.5
131750205	Molecular_Weight	1104.6
4612	Mono_Isotopic_Weight	279.15829154
17799937	Structure_Complexity	78.1
27124	Non-hydrogen_Atom_Count	24
961335	Exact_Mass	197.121592296
10219408	Defined_Atom_Stereo_Count	0
154517172	Molecular_Weight	97.16
213040	Undefined_Atom_Stereo_Count	1
5464097	Total_Formal_Charge	0
6437841	Structure_Complexity	539
133109198	Structure_Complexity	1150
25127621	Defined_Bond_Stereo_Count	0
12819963	Rotatable_Bond_Count	0
85456	Structure_Complexity	422
96886	Rotatable_Bond_Count	4
94948	Exact_Mass	253.03750770
439518	Structure_Complexity	710
27491	Total_Formal_Charge	0
8799	Hydrogen_Bond_Donor_Count	2
54106053	Molecular_Weight	114.14
9867061	XLogP3-AA	3.3
21792546	Molecular_Weight	246.21
56950732	Total_Formal_Charge	0
136323	XLogP3-AA	2
7635	XLogP3-AA	3.2
219145	Hydrogen_Bond_Acceptor_Count	2
612684	Exact_Mass	218.03275668
56955281	XLogP3-AA	3.6
165687912	Hydrogen_Bond_Donor_Count	0
63088	TPSA	0
71277	Isotope_Atom_Count	0
83003418	Hydrogen_Bond_Donor_Count	1
9704	Defined_Atom_Stereo_Count	0
481709	Undefined_Bond_Stereo_Count	0
151062	Isotope_Atom_Count	0
77941	Molecular_Weight	340.5
10643636	Non-hydrogen_Atom_Count	27
254	Covalent_Unit_Count	1
66813914	TPSA	95.5
5352905	Rotatable_Bond_Count	3
132451761	Undefined_Bond_Stereo_Count	0
8551	Structure_Complexity	532
139291730	Molecular_Weight	844.0
2060890	Exact_Mass	342.0771200
12507024	Undefined_Atom_Stereo_Count	1
85944292	Hydrogen_Bond_Acceptor_Count	1
9023	Non-hydrogen_Atom_Count	6
95864	Defined_Atom_Stereo_Count	0
5351	Undefined_Bond_Stereo_Count	0
593369	Molecular_Weight	305.4
54054905	Rotatable_Bond_Count	0
5280880	Undefined_Atom_Stereo_Count	0
98685	Undefined_Bond_Stereo_Count	0
67850	Hydrogen_Bond_Donor_Count	0
200	Mono_Isotopic_Weight	338.06275045
5953	Molecular_Weight	324.4
14443	Exact_Mass	428.23112213
16212610	Undefined_Bond_Stereo_Count	0
56603728	Undefined_Atom_Stereo_Count	1
11178958	Defined_Bond_Stereo_Count	1
5283740	Covalent_Unit_Count	1
181255	Rotatable_Bond_Count	1
447569	Exact_Mass	131.058243149
22833295	TPSA	149
13306877	Total_Formal_Charge	0
10201696	Undefined_Bond_Stereo_Count	0
14063315	Hydrogen_Bond_Donor_Count	0
104805	Isotope_Atom_Count	0
68668153	Undefined_Atom_Stereo_Count	0
2797676	Molecular_Weight	308.3
87659838	Defined_Atom_Stereo_Count	0
20279	Structure_Complexity	338
163050684	Total_Formal_Charge	0
437719	Isotope_Atom_Count	0
23238195	Mono_Isotopic_Weight	255.13448209
62662	Mono_Isotopic_Weight	277.960618
22602670	Defined_Atom_Stereo_Count	0
37901	TPSA	76
5284443	Defined_Bond_Stereo_Count	0
957500	Total_Formal_Charge	0
682	Molecular_Weight	195.17
448979	Exact_Mass	361.0328700
20378092	Total_Formal_Charge	0
78739	Hydrogen_Bond_Donor_Count	0
5353593	Undefined_Atom_Stereo_Count	0
139593411	Non-hydrogen_Atom_Count	140
132281459	Covalent_Unit_Count	2
444182	Covalent_Unit_Count	1
19979685	Exact_Mass	112.063662883
444683	Total_Formal_Charge	0
22988955	TPSA	26.3
4996851	Hydrogen_Bond_Donor_Count	2
439888	Undefined_Bond_Stereo_Count	0
5287851	Covalent_Unit_Count	1
11870469	Mono_Isotopic_Weight	304.15488318
86691500	Undefined_Bond_Stereo_Count	0
102533943	XLogP3-AA	0.2
118011485	Structure_Complexity	415
1706	Exact_Mass	178.121846464
75502	Exact_Mass	342.27700969
84647703	Total_Formal_Charge	0
9908306	Isotope_Atom_Count	0
6441606	Undefined_Atom_Stereo_Count	0
97815	Structure_Complexity	117
4684505	Undefined_Atom_Stereo_Count	0
5894	Total_Formal_Charge	0
22082546	Rotatable_Bond_Count	2
5353584	Undefined_Atom_Stereo_Count	7
79688	Hydrogen_Bond_Acceptor_Count	1
11745116	Non-hydrogen_Atom_Count	12
3414	Rotatable_Bond_Count	0
135423375	Hydrogen_Bond_Donor_Count	4
12387212	Covalent_Unit_Count	1
9234	Exact_Mass	98.073164938
24765417	Defined_Atom_Stereo_Count	0
15050	Defined_Atom_Stereo_Count	0
185620	Undefined_Bond_Stereo_Count	0
10319630	Undefined_Bond_Stereo_Count	0
5311217	Isotope_Atom_Count	0
22639586	TPSA	38
27582	XLogP3	3.5
77470	Hydrogen_Bond_Donor_Count	1
978377	Structure_Complexity	645
347475	Exact_Mass	115.099714038
8027	Hydrogen_Bond_Acceptor_Count	0
6406	Total_Formal_Charge	0
7465	XLogP3	2.9
9835852	XLogP3-AA	1.8
51397022	Exact_Mass	424.23620751
14712340	XLogP3-AA	1.2
59907918	Exact_Mass	342.11621151
2879	Mono_Isotopic_Weight	108.057514874
19370943	Rotatable_Bond_Count	1
25154200	Exact_Mass	397.10495400
415984	TPSA	52.6
44521016	Rotatable_Bond_Count	7
10252	Structure_Complexity	215
60196271	Hydrogen_Bond_Acceptor_Count	16
8085	Covalent_Unit_Count	1
57401682	Undefined_Atom_Stereo_Count	0
56776542	Molecular_Weight	250.02
82291	Molecular_Weight	93.55
131704205	Isotope_Atom_Count	0
398652	Hydrogen_Bond_Acceptor_Count	5
68526	Undefined_Bond_Stereo_Count	0
75786	Undefined_Bond_Stereo_Count	0
158693	Mono_Isotopic_Weight	168.078644241
10675	Total_Formal_Charge	0
14437479	Total_Formal_Charge	0
58079819	Hydrogen_Bond_Acceptor_Count	1
580566	Covalent_Unit_Count	1
643790	Hydrogen_Bond_Acceptor_Count	2
45116609	Undefined_Bond_Stereo_Count	0
4424	Non-hydrogen_Atom_Count	48
9923162	XLogP3-AA	2.3
90654313	Total_Formal_Charge	0
11200	Exact_Mass	139.937397
289807	Undefined_Bond_Stereo_Count	0
533432	Defined_Bond_Stereo_Count	0
4011	XLogP3-AA	4.6
688107	Non-hydrogen_Atom_Count	15
11326613	Non-hydrogen_Atom_Count	29
11009532	Hydrogen_Bond_Acceptor_Count	1
91996283	Covalent_Unit_Count	3
7557	Total_Formal_Charge	0
51066536	Defined_Atom_Stereo_Count	2
11398	Tautomer_Count	1
76319	Hydrogen_Bond_Acceptor_Count	1
13627693	XLogP3-AA	0.3
6598	Non-hydrogen_Atom_Count	6
762556	Defined_Bond_Stereo_Count	0
5282706	Defined_Atom_Stereo_Count	0
75982	Structure_Complexity	28.9
67893	Structure_Complexity	75
60984	Undefined_Bond_Stereo_Count	0
11829	Covalent_Unit_Count	1
24288	TPSA	0
89074	Molecular_Weight	377.06
7337	Molecular_Weight	168.15
6096206	Molecular_Weight	830.7
4054	Total_Formal_Charge	0
2131	Defined_Atom_Stereo_Count	0
636	Exact_Mass	251.10183929
67532	Hydrogen_Bond_Acceptor_Count	4
29756	Hydrogen_Bond_Acceptor_Count	4
138323	Exact_Mass	98.073164938
68023	XLogP3	1.6
92214	Non-hydrogen_Atom_Count	11
68236666	Mono_Isotopic_Weight	100.100048391
63100	Mono_Isotopic_Weight	289.922361
6388	Non-hydrogen_Atom_Count	5
3036154	Non-hydrogen_Atom_Count	60
14281426	Mono_Isotopic_Weight	118.062994177
71417	Defined_Atom_Stereo_Count	0
528603	Undefined_Bond_Stereo_Count	0
119093923	Hydrogen_Bond_Acceptor_Count	4
62810	Covalent_Unit_Count	1
13973648	Exact_Mass	147.08954328
56518	Total_Formal_Charge	0
31233	Exact_Mass	166.099379685
694856	Isotope_Atom_Count	0
664081	Hydrogen_Bond_Donor_Count	1
31226	Defined_Atom_Stereo_Count	0
9318	Molecular_Weight	405.1
28204	Structure_Complexity	578
14969	Hydrogen_Bond_Donor_Count	19
22603628	Covalent_Unit_Count	1
95299	Defined_Bond_Stereo_Count	0
101603227	Structure_Complexity	1410
53319416	Defined_Atom_Stereo_Count	0
99858	Tautomer_Count	24
10023245	Covalent_Unit_Count	1
135297777	Defined_Atom_Stereo_Count	0
11381	Hydrogen_Bond_Acceptor_Count	1
8718	Hydrogen_Bond_Acceptor_Count	2
5497195	Hydrogen_Bond_Donor_Count	5
57642398	Non-hydrogen_Atom_Count	7
131130	Hydrogen_Bond_Donor_Count	4
9903930	Undefined_Atom_Stereo_Count	0
3938668	Non-hydrogen_Atom_Count	21
9894291	Total_Formal_Charge	0
25001849	Hydrogen_Bond_Acceptor_Count	9
135456058	Mono_Isotopic_Weight	516.16787042
42540	Molecular_Weight	390.9
11313946	TPSA	125
124224929	Total_Formal_Charge	0
32230	Hydrogen_Bond_Acceptor_Count	5
70689385	Covalent_Unit_Count	1
14912114	Covalent_Unit_Count	1
5317	Undefined_Atom_Stereo_Count	4
12395962	Undefined_Atom_Stereo_Count	0
11142	XLogP3-AA	3.4
6918013	Non-hydrogen_Atom_Count	52
122404566	XLogP3-AA	5.4
17756737	Hydrogen_Bond_Acceptor_Count	4
5352845	Isotope_Atom_Count	0
11775	Isotope_Atom_Count	0
23673604	Non-hydrogen_Atom_Count	24
119205	Molecular_Weight	358.4
2733768	Structure_Complexity	858
71357579	Isotope_Atom_Count	0
16070111	Covalent_Unit_Count	1
122404566	Rotatable_Bond_Count	4
50514	Rotatable_Bond_Count	9
101210282	Hydrogen_Bond_Acceptor_Count	0
295042	Defined_Atom_Stereo_Count	0
18710462	Total_Formal_Charge	0
5473310	Non-hydrogen_Atom_Count	21
3081386	Defined_Atom_Stereo_Count	8
776461	Non-hydrogen_Atom_Count	12
68770	Non-hydrogen_Atom_Count	26
114829	Undefined_Atom_Stereo_Count	0
16124688	Structure_Complexity	705
16757521	Defined_Atom_Stereo_Count	5
8500	Mono_Isotopic_Weight	134.073164938
2408	Exact_Mass	312.0665554
101218360	XLogP3-AA	0.3
248333	Total_Formal_Charge	0
11987858	Mono_Isotopic_Weight	99.032028402
39976	XLogP3-AA	4.6
148837046	TPSA	64.9
67356	Molecular_Weight	510.4
460129	Defined_Bond_Stereo_Count	0
5378708	Undefined_Atom_Stereo_Count	0
129888394	XLogP3-AA	1.1
67258976	Covalent_Unit_Count	1
135398510	Tautomer_Count	36
5702162	Non-hydrogen_Atom_Count	25
219020	Hydrogen_Bond_Acceptor_Count	3
449224	Isotope_Atom_Count	0
71884	XLogP3	2.8
71339	TPSA	128
565684	Undefined_Bond_Stereo_Count	1
76631	Defined_Atom_Stereo_Count	0
12184	Hydrogen_Bond_Donor_Count	1
7711	Hydrogen_Bond_Donor_Count	0
26442	TPSA	38.3
90488866	Covalent_Unit_Count	4
18406186	Rotatable_Bond_Count	5
3082780	Isotope_Atom_Count	0
89077	Undefined_Atom_Stereo_Count	0
14862984	Undefined_Bond_Stereo_Count	0
41376	Mono_Isotopic_Weight	321.17356494
140048	Molecular_Weight	120.17
163429552	Rotatable_Bond_Count	1
11227182	Undefined_Atom_Stereo_Count	0
71950363	Hydrogen_Bond_Acceptor_Count	3
23663969	Defined_Bond_Stereo_Count	0
543664	Defined_Bond_Stereo_Count	0
2852	Defined_Bond_Stereo_Count	0
13511141	Structure_Complexity	274
39521	Defined_Atom_Stereo_Count	0
622606	XLogP3	4.7
153852218	Non-hydrogen_Atom_Count	7
6917974	Undefined_Bond_Stereo_Count	0
21058	Rotatable_Bond_Count	6
49796490	Defined_Bond_Stereo_Count	1
227456	Defined_Atom_Stereo_Count	0
65427	Undefined_Atom_Stereo_Count	1
5352833	Covalent_Unit_Count	1
170234	Undefined_Atom_Stereo_Count	0
421	Covalent_Unit_Count	1
11161534	Non-hydrogen_Atom_Count	20
76321	Rotatable_Bond_Count	2
524829	Defined_Bond_Stereo_Count	0
95634	Non-hydrogen_Atom_Count	14
22202	Non-hydrogen_Atom_Count	10
499953	Rotatable_Bond_Count	3
15448870	TPSA	0
59301609	Defined_Atom_Stereo_Count	0
443003	Rotatable_Bond_Count	1
8795	Covalent_Unit_Count	1
23362267	Non-hydrogen_Atom_Count	8
449293	Total_Formal_Charge	0
71713950	Covalent_Unit_Count	1
49985	Structure_Complexity	249
5365552	XLogP3-AA	2.4
18381	Hydrogen_Bond_Acceptor_Count	7
37270	Hydrogen_Bond_Donor_Count	0
27200	Covalent_Unit_Count	1
87280025	Total_Formal_Charge	0
21438815	Structure_Complexity	99.9
21895380	Molecular_Weight	513.07
21075	Isotope_Atom_Count	0
6539027	Molecular_Weight	437.5
66485	Non-hydrogen_Atom_Count	20
136307	Defined_Bond_Stereo_Count	0
26865	Structure_Complexity	98.6
161830	Non-hydrogen_Atom_Count	10
67916	Undefined_Atom_Stereo_Count	0
69833	Exact_Mass	114.104465066
5281078	Molecular_Weight	433.5
119086017	Undefined_Atom_Stereo_Count	0
84589	Hydrogen_Bond_Donor_Count	1
7237253	Non-hydrogen_Atom_Count	27
43704	Non-hydrogen_Atom_Count	21
14930278	Isotope_Atom_Count	0
3683	XLogP3-AA	1.9
3025961	Undefined_Atom_Stereo_Count	0
163640634	Structure_Complexity	118
166556	Defined_Bond_Stereo_Count	0
7132	Structure_Complexity	263
162343997	Total_Formal_Charge	0
87279996	Hydrogen_Bond_Donor_Count	1
11350701	Defined_Bond_Stereo_Count	0
295258	XLogP3	3
129671755	Isotope_Atom_Count	0
105010	TPSA	58.6
12395962	Defined_Atom_Stereo_Count	0
20568258	Total_Formal_Charge	0
3055957	Molecular_Weight	101.19
13194811	Rotatable_Bond_Count	3
10133071	Hydrogen_Bond_Acceptor_Count	6
3611	Hydrogen_Bond_Donor_Count	1
18049	Tautomer_Count	1
40468194	TPSA	147
46783859	Total_Formal_Charge	0
124159802	Defined_Bond_Stereo_Count	0
50918929	Hydrogen_Bond_Donor_Count	0
104870	Mono_Isotopic_Weight	281.0520241
58460047	Exact_Mass	425.0502514
27552	Covalent_Unit_Count	1
20055400	Tautomer_Count	1
22728753	Undefined_Bond_Stereo_Count	0
15926139	Isotope_Atom_Count	0
20169	Molecular_Weight	312.4
6440792	Undefined_Atom_Stereo_Count	0
20984	XLogP3-AA	0.4
69158971	Hydrogen_Bond_Acceptor_Count	3
219224	Isotope_Atom_Count	0
141993	Total_Formal_Charge	0
121861	Total_Formal_Charge	0
6427071	Undefined_Atom_Stereo_Count	0
55851	Hydrogen_Bond_Acceptor_Count	2
31877	Covalent_Unit_Count	1
69158971	Defined_Atom_Stereo_Count	0
71072118	Mono_Isotopic_Weight	508.1695764
9832383	Non-hydrogen_Atom_Count	34
7915	Covalent_Unit_Count	1
16682930	Hydrogen_Bond_Acceptor_Count	0
16129778	Molecular_Weight	1701.2
15535273	Exact_Mass	96.057514874
18359433	Isotope_Atom_Count	0
11686903	Covalent_Unit_Count	1
158150	Undefined_Bond_Stereo_Count	0
54502555	Undefined_Bond_Stereo_Count	0
70324	Mono_Isotopic_Weight	162.104465066
548521	Isotope_Atom_Count	0
61101	Mono_Isotopic_Weight	208.06953611
4582877	XLogP3-AA	0.8
66972027	Hydrogen_Bond_Acceptor_Count	2
44193577	TPSA	69.7
3034756	Mono_Isotopic_Weight	344.17360725
55290897	Undefined_Atom_Stereo_Count	0
54679076	Undefined_Atom_Stereo_Count	0
1234	Molecular_Weight	484.6
32438	Undefined_Atom_Stereo_Count	1
17751002	Defined_Atom_Stereo_Count	3
12310714	Defined_Atom_Stereo_Count	2
11586735	Undefined_Bond_Stereo_Count	0
5059	TPSA	42.4
74889149	Defined_Atom_Stereo_Count	0
221050	Mono_Isotopic_Weight	102.068079557
22166430	Covalent_Unit_Count	1
11690378	Defined_Atom_Stereo_Count	0
177949	Defined_Bond_Stereo_Count	0
133645886	Molecular_Weight	823.9
129865974	Molecular_Weight	496.8
52944421	Non-hydrogen_Atom_Count	29
92043320	Molecular_Weight	788.9
14924951	Isotope_Atom_Count	0
4180	TPSA	138
6540640	Molecular_Weight	505.0
3033865	Defined_Bond_Stereo_Count	0
23866	Isotope_Atom_Count	0
85775728	Non-hydrogen_Atom_Count	8
10935908	Molecular_Weight	313.4
3033972	Covalent_Unit_Count	1
10967532	Defined_Atom_Stereo_Count	0
60246	Molecular_Weight	373.9
53846436	Structure_Complexity	688
1991	Undefined_Bond_Stereo_Count	0
51683	TPSA	63.9
53318409	Rotatable_Bond_Count	3
16693	Defined_Bond_Stereo_Count	0
12240	Non-hydrogen_Atom_Count	8
92763	Covalent_Unit_Count	1
19871	Hydrogen_Bond_Acceptor_Count	1
23328892	Non-hydrogen_Atom_Count	8
47445	Undefined_Bond_Stereo_Count	0
44755151	Exact_Mass	368.01339457
7495	Covalent_Unit_Count	1
79998	Tautomer_Count	1
3262020	Mono_Isotopic_Weight	135.01159025
339079	Non-hydrogen_Atom_Count	16
6452481	Hydrogen_Bond_Acceptor_Count	2
47721	TPSA	0
21162824	Undefined_Bond_Stereo_Count	0
66124	Defined_Atom_Stereo_Count	1
60196328	Tautomer_Count	1
140809	Structure_Complexity	54.9
319664	Undefined_Bond_Stereo_Count	0
7252	Hydrogen_Bond_Donor_Count	2
445375	Undefined_Bond_Stereo_Count	0
23896	Defined_Bond_Stereo_Count	0
5282176	Defined_Bond_Stereo_Count	3
135508231	Isotope_Atom_Count	0
57029485	Covalent_Unit_Count	1
426756	Molecular_Weight	371.25
32413	Hydrogen_Bond_Acceptor_Count	3
5462951	XLogP3-AA	2.9
135564655	TPSA	271
6477182	TPSA	74.2
9984374	Structure_Complexity	1010
5560	Defined_Bond_Stereo_Count	0
754219	Mono_Isotopic_Weight	304.19509159
68321874	Structure_Complexity	582
7201	Non-hydrogen_Atom_Count	10
72137	Covalent_Unit_Count	1
8987	Isotope_Atom_Count	0
11804674	TPSA	17.1
69685	Defined_Bond_Stereo_Count	0
91693	Molecular_Weight	284.18
31239	Covalent_Unit_Count	2
653419	Total_Formal_Charge	0
60196313	Undefined_Bond_Stereo_Count	0
7211	TPSA	40.5
117295	Defined_Bond_Stereo_Count	0
1179	Molecular_Weight	836.8
23444	Hydrogen_Bond_Donor_Count	2
4961823	Hydrogen_Bond_Donor_Count	1
21547072	Non-hydrogen_Atom_Count	7
6424	Isotope_Atom_Count	0
6993205	Non-hydrogen_Atom_Count	20
22068766	TPSA	74.5
41020	Structure_Complexity	538
11269429	Non-hydrogen_Atom_Count	29
87953	Undefined_Atom_Stereo_Count	0
11951726	Exact_Mass	388.11693871
71352	Mono_Isotopic_Weight	341.1546421
15008962	Isotope_Atom_Count	0
27665	XLogP3	2.7
133952	Undefined_Atom_Stereo_Count	2
21545139	Molecular_Weight	97.12
8124	Exact_Mass	162.0811428
156963480	XLogP3-AA	1.8
70949	Rotatable_Bond_Count	1
23675321	Total_Formal_Charge	0
18055	Structure_Complexity	102
139906410	Rotatable_Bond_Count	1
95659	Covalent_Unit_Count	1
20607223	Non-hydrogen_Atom_Count	8
317	Rotatable_Bond_Count	18
1629	Molecular_Weight	217.12
5310991	Mono_Isotopic_Weight	558.27298694
11560414	Total_Formal_Charge	0
42725	TPSA	81.1
440175	Covalent_Unit_Count	1
10171348	Defined_Bond_Stereo_Count	1
101815861	TPSA	59.5
694358	Non-hydrogen_Atom_Count	20
19977	Undefined_Bond_Stereo_Count	0
7174	Defined_Atom_Stereo_Count	0
31803	Isotope_Atom_Count	0
14475	XLogP3	2.9
20206050	Hydrogen_Bond_Acceptor_Count	2
23684896	Hydrogen_Bond_Donor_Count	1
28213	Undefined_Bond_Stereo_Count	0
73742	XLogP3	1.9
5288525	XLogP3-AA	1.3
12035	XLogP3	0.4
90551	Defined_Bond_Stereo_Count	0
5280793	Molecular_Weight	396.6
96522	Molecular_Weight	151.16
137572	Defined_Atom_Stereo_Count	0
88638	Hydrogen_Bond_Donor_Count	2
57186573	Molecular_Weight	98.10
637991	Defined_Bond_Stereo_Count	0
25142175	Hydrogen_Bond_Donor_Count	2
150841	Total_Formal_Charge	0
68789	Exact_Mass	295.19475723
97383	Exact_Mass	208.9713554
46936750	Non-hydrogen_Atom_Count	23
154992	Tautomer_Count	1
15809	Total_Formal_Charge	0
4219136	Total_Formal_Charge	0
135435111	Isotope_Atom_Count	0
42648	Hydrogen_Bond_Acceptor_Count	6
22001134	Exact_Mass	100.027277375
12302675	Covalent_Unit_Count	1
59896759	Total_Formal_Charge	0
60196425	Isotope_Atom_Count	0
42580060	Non-hydrogen_Atom_Count	23
6437371	Hydrogen_Bond_Donor_Count	0
11598	Tautomer_Count	1
36572	Hydrogen_Bond_Donor_Count	0
23688461	Covalent_Unit_Count	2
123630	Total_Formal_Charge	0
11697697	Defined_Atom_Stereo_Count	0
163284948	Hydrogen_Bond_Acceptor_Count	19
24916760	Covalent_Unit_Count	1
91353581	Non-hydrogen_Atom_Count	8
1118	Total_Formal_Charge	0
669570	Hydrogen_Bond_Acceptor_Count	3
23625795	Molecular_Weight	588.2
340	Mono_Isotopic_Weight	124.052429494
45055483	TPSA	364
837	Defined_Atom_Stereo_Count	0
630	Covalent_Unit_Count	1
129752646	Molecular_Weight	395.4
62738	Isotope_Atom_Count	0
12529300	Isotope_Atom_Count	0
8390	Isotope_Atom_Count	0
134537	Structure_Complexity	750
15402	Total_Formal_Charge	0
71807	Defined_Atom_Stereo_Count	3
62654	XLogP3-AA	2.7
54068368	Hydrogen_Bond_Donor_Count	1
189782	Hydrogen_Bond_Acceptor_Count	5
71726	XLogP3-AA	1.2
97135	Non-hydrogen_Atom_Count	16
12429703	Covalent_Unit_Count	1
31472	Tautomer_Count	1
16272	Defined_Atom_Stereo_Count	0
6538982	Defined_Atom_Stereo_Count	0
6364671	Isotope_Atom_Count	0
9246	Total_Formal_Charge	0
133082588	Rotatable_Bond_Count	4
7056	XLogP3	4.1
14512532	Undefined_Bond_Stereo_Count	0
12365604	Hydrogen_Bond_Acceptor_Count	4
136231689	Hydrogen_Bond_Acceptor_Count	4
10754	Non-hydrogen_Atom_Count	16
28852	Hydrogen_Bond_Acceptor_Count	7
65223	TPSA	124
36978	Total_Formal_Charge	0
818	Total_Formal_Charge	0
134150	Undefined_Atom_Stereo_Count	0
104865206	TPSA	41.8
10240775	Mono_Isotopic_Weight	103.063328530
54466147	Isotope_Atom_Count	0
79425	Mono_Isotopic_Weight	215.976764
11446305	TPSA	33
3714	Covalent_Unit_Count	1
15291	TPSA	39.2
135403630	Total_Formal_Charge	0
95767	Structure_Complexity	178
92729	TPSA	29.5
5359464	Exact_Mass	204.97443
689784	Hydrogen_Bond_Acceptor_Count	7
121513955	XLogP3-AA	4.3
274074	TPSA	15.6
859	Isotope_Atom_Count	0
101815863	Defined_Atom_Stereo_Count	0
48080	Exact_Mass	419.1288213
6770	Exact_Mass	323.11575802
44144517	Undefined_Bond_Stereo_Count	0
11594	Mono_Isotopic_Weight	114.140850574
87187801	Molecular_Weight	112.17
55329	Non-hydrogen_Atom_Count	19
4649906	Hydrogen_Bond_Donor_Count	0
25052023	Isotope_Atom_Count	0
240119	Total_Formal_Charge	0
6537493	Mono_Isotopic_Weight	867.49802062
25954	Defined_Bond_Stereo_Count	0
11976	Tautomer_Count	1
20670051	Molecular_Weight	318.8
6537	Defined_Atom_Stereo_Count	0
2296	XLogP3	4.2
107377	Non-hydrogen_Atom_Count	18
4055279	Covalent_Unit_Count	1
19657	Molecular_Weight	216.20
79961	Structure_Complexity	59.7
72712745	Covalent_Unit_Count	1
9851505	Defined_Bond_Stereo_Count	0
94377	Hydrogen_Bond_Donor_Count	0
1932	Defined_Atom_Stereo_Count	0
38360	Structure_Complexity	130
798	Non-hydrogen_Atom_Count	9
18955264	Hydrogen_Bond_Acceptor_Count	2
636822	Molecular_Weight	208.25
134564038	Rotatable_Bond_Count	0
6444186	Non-hydrogen_Atom_Count	69
10718	Molecular_Weight	257.24
77342	XLogP3-AA	0
5353622	Undefined_Bond_Stereo_Count	0
6401	Covalent_Unit_Count	1
77222	Molecular_Weight	564.09
53317992	Defined_Atom_Stereo_Count	0
50258	Hydrogen_Bond_Donor_Count	3
126968498	Molecular_Weight	835.1
65714	Tautomer_Count	3
3781	Covalent_Unit_Count	1
85663349	Rotatable_Bond_Count	3
688093	Non-hydrogen_Atom_Count	13
192155	Total_Formal_Charge	0
136120826	Mono_Isotopic_Weight	98.02286070
201538	Mono_Isotopic_Weight	463.2489364
56603751	Hydrogen_Bond_Acceptor_Count	9
6436117	Exact_Mass	594.04097308
2781	Rotatable_Bond_Count	6
135398558	Rotatable_Bond_Count	7
124600	Covalent_Unit_Count	1
234475	Defined_Bond_Stereo_Count	0
30323	Mono_Isotopic_Weight	527.17914612
78904	Non-hydrogen_Atom_Count	10
11194317	Defined_Atom_Stereo_Count	0
3037565	Undefined_Atom_Stereo_Count	0
9907093	Structure_Complexity	710
102601697	Molecular_Weight	241.74
115089	Defined_Bond_Stereo_Count	0
15808	Structure_Complexity	178
5459110	TPSA	59.1
2130	Structure_Complexity	144
12462026	Defined_Bond_Stereo_Count	0
71573986	XLogP3-AA	1.3
13233	TPSA	75.9
79069	TPSA	20.2
12514206	Mono_Isotopic_Weight	106.053098200
216295	Covalent_Unit_Count	1
2375	Hydrogen_Bond_Acceptor_Count	9
68109743	Isotope_Atom_Count	0
11772257	Total_Formal_Charge	0
12451640	Defined_Bond_Stereo_Count	0
249502	Defined_Atom_Stereo_Count	0
674701	Defined_Bond_Stereo_Count	0
358067	Rotatable_Bond_Count	0
6917974	Undefined_Atom_Stereo_Count	0
356	Molecular_Weight	114.23
9963516	TPSA	60.7
10822	Hydrogen_Bond_Acceptor_Count	1
66764517	Structure_Complexity	97.5
20912	Mono_Isotopic_Weight	81.057849228
498158	Tautomer_Count	54
19819	Hydrogen_Bond_Donor_Count	0
11105310	Mono_Isotopic_Weight	92.026214747
667550	Hydrogen_Bond_Donor_Count	1
29629	Isotope_Atom_Count	0
55840	Defined_Bond_Stereo_Count	0
534543	Total_Formal_Charge	0
854389	Hydrogen_Bond_Donor_Count	1
66063	Hydrogen_Bond_Donor_Count	1
7020094	Non-hydrogen_Atom_Count	19
53701126	Undefined_Bond_Stereo_Count	0
10237241	Undefined_Atom_Stereo_Count	0
1246044	Structure_Complexity	365
9930121	Structure_Complexity	381
24848367	Defined_Atom_Stereo_Count	0
9844	Hydrogen_Bond_Acceptor_Count	4
9809	Molecular_Weight	270.55
150986	Molecular_Weight	300.4
14992	Rotatable_Bond_Count	3
9051	Defined_Bond_Stereo_Count	0
6400271	Structure_Complexity	228
9447938	Molecular_Weight	283.28
882889	XLogP3-AA	5
54572793	Mono_Isotopic_Weight	100.063662883
7225	TPSA	26
138579	Covalent_Unit_Count	1
7959	Structure_Complexity	108
4479912	Rotatable_Bond_Count	10
10435654	Hydrogen_Bond_Acceptor_Count	3
254656	Exact_Mass	198.07529019
134688043	Total_Formal_Charge	0
5289085	Rotatable_Bond_Count	6
22721510	Exact_Mass	109.016378338
201652	Tautomer_Count	1
9561131	Non-hydrogen_Atom_Count	12
21719780	Undefined_Bond_Stereo_Count	0
185588	Undefined_Atom_Stereo_Count	0
72149	Isotope_Atom_Count	0
3167	TPSA	37.3
6604189	Hydrogen_Bond_Donor_Count	0
5487542	TPSA	109
8101	Undefined_Bond_Stereo_Count	0
12905357	Undefined_Bond_Stereo_Count	0
69689	TPSA	69.6
21859	Hydrogen_Bond_Donor_Count	1
151114	Non-hydrogen_Atom_Count	39
16911	Total_Formal_Charge	0
198008	Molecular_Weight	482.17
12957	Defined_Bond_Stereo_Count	0
20111	Undefined_Atom_Stereo_Count	0
57452847	Undefined_Bond_Stereo_Count	0
122174042	Non-hydrogen_Atom_Count	58
90707927	Molecular_Weight	108.18
6989253	Structure_Complexity	93.1
135423792	Defined_Bond_Stereo_Count	0
852	Defined_Bond_Stereo_Count	0
2812075	Covalent_Unit_Count	1
710762	Hydrogen_Bond_Acceptor_Count	3
7124	Molecular_Weight	173.17
91369480	Undefined_Atom_Stereo_Count	3
30668	Structure_Complexity	263
8815	Molecular_Weight	148.20
177085	Covalent_Unit_Count	1
628127	Structure_Complexity	310
163714395	Rotatable_Bond_Count	1
15324722	Undefined_Bond_Stereo_Count	0
54561872	Isotope_Atom_Count	0
12213589	Rotatable_Bond_Count	3
6604910	Mono_Isotopic_Weight	292.121177757
1505	Rotatable_Bond_Count	2
73672	Rotatable_Bond_Count	7
3033836	Structure_Complexity	196
3493	Covalent_Unit_Count	1
54003766	Exact_Mass	93.057849228
62871	Undefined_Bond_Stereo_Count	0
13195064	Rotatable_Bond_Count	0
3002820	Defined_Atom_Stereo_Count	0
84647642	Total_Formal_Charge	0
67533	TPSA	6.5
107775	Defined_Atom_Stereo_Count	3
24779724	Defined_Bond_Stereo_Count	0
53232451	Mono_Isotopic_Weight	355.13569983
170833	Hydrogen_Bond_Donor_Count	1
524629	Exact_Mass	98.109550447
5287855	Defined_Atom_Stereo_Count	0
21868057	Mono_Isotopic_Weight	96.093900383
54886	TPSA	93.6
15446403	Hydrogen_Bond_Acceptor_Count	1
13126	Rotatable_Bond_Count	5
7170	Isotope_Atom_Count	0
1434	Isotope_Atom_Count	0
12471	Exact_Mass	194.940932
11503972	Structure_Complexity	535
91713	Defined_Atom_Stereo_Count	2
13918	Hydrogen_Bond_Acceptor_Count	1
35384	Structure_Complexity	411
58387740	Mono_Isotopic_Weight	114.104465066
16212360	TPSA	40.1
13639781	Molecular_Weight	107.11
21202	Undefined_Atom_Stereo_Count	0
23697816	TPSA	88.3
64184	Defined_Atom_Stereo_Count	0
16685	Non-hydrogen_Atom_Count	17
16161315	Tautomer_Count	1000
23643976	Defined_Bond_Stereo_Count	0
1669	Mono_Isotopic_Weight	167.094628657
10986185	Exact_Mass	113.084063974
52914006	Exact_Mass	468.32395988
76619	Undefined_Bond_Stereo_Count	0
18736159	Non-hydrogen_Atom_Count	8
28649	Non-hydrogen_Atom_Count	15
5704083	Non-hydrogen_Atom_Count	23
11622909	XLogP3-AA	1.4
79783	Undefined_Atom_Stereo_Count	0
57254473	Defined_Bond_Stereo_Count	0
9891637	Non-hydrogen_Atom_Count	36
21859	Structure_Complexity	212
253877	Undefined_Atom_Stereo_Count	0
49869173	Hydrogen_Bond_Donor_Count	1
5672	Hydrogen_Bond_Donor_Count	2
66776828	Mono_Isotopic_Weight	428.19607403
69632	Undefined_Bond_Stereo_Count	0
2860	Rotatable_Bond_Count	1
28705	Undefined_Bond_Stereo_Count	0
8217	Defined_Bond_Stereo_Count	0
94904	Rotatable_Bond_Count	0
6539304	Isotope_Atom_Count	0
68576	Undefined_Bond_Stereo_Count	0
99564	XLogP3-AA	0.1
11063855	Hydrogen_Bond_Donor_Count	2
57387	TPSA	74.8
18776	Total_Formal_Charge	0
5715107	Defined_Atom_Stereo_Count	0
15480319	Undefined_Atom_Stereo_Count	0
12263801	Defined_Bond_Stereo_Count	0
9830615	Structure_Complexity	1060
3033226	Exact_Mass	289.07726451
53346581	Undefined_Atom_Stereo_Count	0
688803	Defined_Atom_Stereo_Count	0
57258462	Structure_Complexity	86
101432819	Non-hydrogen_Atom_Count	9
236566	Total_Formal_Charge	0
97383	Isotope_Atom_Count	0
155649598	Covalent_Unit_Count	1
35823	XLogP3	7.1
102175	Defined_Bond_Stereo_Count	0
11101	Total_Formal_Charge	0
80274	Hydrogen_Bond_Donor_Count	3
4768	Undefined_Atom_Stereo_Count	1
13662	TPSA	37.4
657289	Hydrogen_Bond_Acceptor_Count	16
444913	Molecular_Weight	972.8
447	Covalent_Unit_Count	1
30874	Non-hydrogen_Atom_Count	13
51397515	Defined_Atom_Stereo_Count	2
20011	Structure_Complexity	224
501640	Defined_Atom_Stereo_Count	4
637090	Hydrogen_Bond_Donor_Count	1
17982942	TPSA	48.9
87348	Mono_Isotopic_Weight	332.10840961
5881	Hydrogen_Bond_Donor_Count	1
11637	Molecular_Weight	67.52
69849	Undefined_Bond_Stereo_Count	0
496666	TPSA	66.4
58195	Total_Formal_Charge	0
7597	Isotope_Atom_Count	0
90643	Hydrogen_Bond_Acceptor_Count	0
14709	Defined_Bond_Stereo_Count	0
14758064	Mono_Isotopic_Weight	131.048347172
46228506	Rotatable_Bond_Count	2
10046	Defined_Bond_Stereo_Count	0
135458645	Hydrogen_Bond_Donor_Count	5
5355732	Total_Formal_Charge	0
9884820	Rotatable_Bond_Count	3
158815	Defined_Bond_Stereo_Count	0
129812487	Defined_Bond_Stereo_Count	0
721947	Mono_Isotopic_Weight	332.9838118
57784	Tautomer_Count	3
23657865	Total_Formal_Charge	0
7864	Structure_Complexity	10
229	Mono_Isotopic_Weight	150.05282342
168625	Rotatable_Bond_Count	2
46202081	Non-hydrogen_Atom_Count	32
190217	Hydrogen_Bond_Donor_Count	0
604519	Hydrogen_Bond_Acceptor_Count	2
11586735	Defined_Atom_Stereo_Count	0
21354407	XLogP3-AA	3.3
28213	Undefined_Atom_Stereo_Count	0
524217	Hydrogen_Bond_Acceptor_Count	1
63650	Exact_Mass	603.16337
5310966	Covalent_Unit_Count	1
5460610	Defined_Bond_Stereo_Count	0
414248	Total_Formal_Charge	1
9961878	Tautomer_Count	54
5238	Exact_Mass	149.89424
528604	Isotope_Atom_Count	0
691156	Defined_Bond_Stereo_Count	0
24868273	Rotatable_Bond_Count	5
129866213	Total_Formal_Charge	0
12285892	Exact_Mass	182.07594159
5047209	Rotatable_Bond_Count	0
20669981	Hydrogen_Bond_Donor_Count	0
129852933	Undefined_Bond_Stereo_Count	0
17750123	Covalent_Unit_Count	1
12433	Isotope_Atom_Count	0
5494425	Total_Formal_Charge	0
11462546	Hydrogen_Bond_Donor_Count	0
1486935	Covalent_Unit_Count	1
436520	Rotatable_Bond_Count	17
3014059	Total_Formal_Charge	0
5709759	Structure_Complexity	474
10011883	Non-hydrogen_Atom_Count	8
18944758	Undefined_Bond_Stereo_Count	0
624041	Undefined_Bond_Stereo_Count	0
63954	Structure_Complexity	700
54192233	Exact_Mass	143.131014166
40428945	XLogP3	0.1
14454747	XLogP3-AA	1.7
10613	Molecular_Weight	200.11
12562198	Defined_Bond_Stereo_Count	0
80511	Structure_Complexity	21.5
30951	Exact_Mass	226.0396719
123753428	Non-hydrogen_Atom_Count	8
60196273	Rotatable_Bond_Count	2
5086465	XLogP3-AA	0.8
53316394	Non-hydrogen_Atom_Count	22
50901	Total_Formal_Charge	0
45029742	Tautomer_Count	693
23465004	XLogP3-AA	0.5
85920	Total_Formal_Charge	0
12205	Undefined_Bond_Stereo_Count	0
13710569	Total_Formal_Charge	0
158340	Tautomer_Count	1
437	Rotatable_Bond_Count	4
8095	XLogP3-AA	0.3
89408	XLogP3-AA	3.3
5635	Non-hydrogen_Atom_Count	24
21252133	Non-hydrogen_Atom_Count	8
6917655	Tautomer_Count	1
16052038	Defined_Atom_Stereo_Count	9
51712	TPSA	52.6
14202705	Isotope_Atom_Count	0
8402	Covalent_Unit_Count	1
54144903	Undefined_Atom_Stereo_Count	1
594130	TPSA	44
89168339	Structure_Complexity	113
67249135	XLogP3-AA	4.8
4380970	Undefined_Bond_Stereo_Count	0
7146288	Structure_Complexity	427
53346581	Defined_Atom_Stereo_Count	0
20681276	Non-hydrogen_Atom_Count	8
7067872	Mono_Isotopic_Weight	303.14705815
135589116	Undefined_Atom_Stereo_Count	0
6922967	Mono_Isotopic_Weight	166.123189134
25137901	Mono_Isotopic_Weight	908.36010511
44159252	Total_Formal_Charge	0
11000531	Rotatable_Bond_Count	2
3442	Molecular_Weight	179.22
114750	Isotope_Atom_Count	0
2861016	Molecular_Weight	284.29
18049	Exact_Mass	118.099379685
10877064	Non-hydrogen_Atom_Count	8
69657541	XLogP3-AA	1.1
4643	Total_Formal_Charge	1
46884664	Isotope_Atom_Count	0
30065	Total_Formal_Charge	0
101254310	Exact_Mass	182.07161235
444006	Isotope_Atom_Count	0
4336	Mono_Isotopic_Weight	381.23376515
7048523	Covalent_Unit_Count	1
45085047	Molecular_Weight	114.10
21721015	Rotatable_Bond_Count	0
21720139	Isotope_Atom_Count	0
3080926	Exact_Mass	186.079312947
11935	Total_Formal_Charge	0
565903	Undefined_Bond_Stereo_Count	0
705645	Undefined_Bond_Stereo_Count	0
8748	Covalent_Unit_Count	1
135424789	Hydrogen_Bond_Acceptor_Count	2
6331630	Total_Formal_Charge	0
10103877	Non-hydrogen_Atom_Count	14
68321730	Structure_Complexity	657
22178220	Non-hydrogen_Atom_Count	15
42614	TPSA	104
5639	Defined_Atom_Stereo_Count	0
11768503	TPSA	9.2
6791	XLogP3	2.1
219145	Defined_Atom_Stereo_Count	0
73094	Covalent_Unit_Count	1
18343488	Hydrogen_Bond_Donor_Count	2
589863	Hydrogen_Bond_Donor_Count	0
528407	Isotope_Atom_Count	0
2724290	Hydrogen_Bond_Donor_Count	2
12400910	Hydrogen_Bond_Donor_Count	0
20297542	Non-hydrogen_Atom_Count	8
20433	TPSA	63.5
135398592	Non-hydrogen_Atom_Count	19
23667636	Defined_Atom_Stereo_Count	0
59202444	Undefined_Bond_Stereo_Count	0
532928	XLogP3-AA	10.6
53346593	Exact_Mass	104.047344113
76968809	TPSA	130
21637412	Exact_Mass	410.24570956
139078863	Hydrogen_Bond_Donor_Count	1
3343	Defined_Bond_Stereo_Count	0
25183872	TPSA	98.7
52947016	Covalent_Unit_Count	1
816	Structure_Complexity	639
118086727	Hydrogen_Bond_Acceptor_Count	2
19993419	Hydrogen_Bond_Donor_Count	1
76092	TPSA	63.3
71268957	Hydrogen_Bond_Acceptor_Count	6
264852	XLogP3-AA	5.4
12451640	Rotatable_Bond_Count	5
16123056	Mono_Isotopic_Weight	270.12290909
2734646	Tautomer_Count	1
118142807	Mono_Isotopic_Weight	126.042927438
5288596	Total_Formal_Charge	0
5681	Molecular_Weight	340.9
14592758	Covalent_Unit_Count	1
72941955	Covalent_Unit_Count	1
57484773	TPSA	0
20903	Total_Formal_Charge	0
13011	Non-hydrogen_Atom_Count	9
11787114	XLogP3-AA	1.6
7532	Hydrogen_Bond_Donor_Count	1
13573815	Undefined_Atom_Stereo_Count	2
78802	Isotope_Atom_Count	0
149697	Covalent_Unit_Count	1
144606028	Rotatable_Bond_Count	0
66603137	Undefined_Atom_Stereo_Count	0
518605	Hydrogen_Bond_Acceptor_Count	6
5280757	Molecular_Weight	905.0
5484	Mono_Isotopic_Weight	275.08024189
2570	Defined_Bond_Stereo_Count	0
24866358	Structure_Complexity	635
123516214	Covalent_Unit_Count	1
140291701	Defined_Bond_Stereo_Count	0
62078	Total_Formal_Charge	0
136255	Hydrogen_Bond_Acceptor_Count	3
5311067	Exact_Mass	376.20498756
4278369	Covalent_Unit_Count	1
81459	Hydrogen_Bond_Acceptor_Count	1
5918	Defined_Atom_Stereo_Count	0
130271321	XLogP3-AA	0.8
47289	TPSA	62.6
60924	Undefined_Atom_Stereo_Count	0
68229136	Rotatable_Bond_Count	4
65825	Covalent_Unit_Count	1
11058021	Undefined_Atom_Stereo_Count	0
69317	Defined_Bond_Stereo_Count	0
137148307	TPSA	140
633366	Non-hydrogen_Atom_Count	20
7460	Rotatable_Bond_Count	1
44310763	Covalent_Unit_Count	1
6328657	Hydrogen_Bond_Acceptor_Count	13
16162116	Hydrogen_Bond_Donor_Count	42
98527	Hydrogen_Bond_Donor_Count	1
9805	Covalent_Unit_Count	1
82650925	Non-hydrogen_Atom_Count	8
11638	Tautomer_Count	1
20550156	Rotatable_Bond_Count	1
5360807	Hydrogen_Bond_Acceptor_Count	8
1416277	Tautomer_Count	3
11236560	Structure_Complexity	675
88674536	Total_Formal_Charge	0
165367979	Hydrogen_Bond_Donor_Count	12
6850837	Hydrogen_Bond_Donor_Count	2
19111	Tautomer_Count	2
550179	Exact_Mass	250.98639865
123969926	Mono_Isotopic_Weight	116.083729621
53828439	Undefined_Atom_Stereo_Count	0
24020	Undefined_Bond_Stereo_Count	0
10563	Isotope_Atom_Count	0
5329056	Undefined_Bond_Stereo_Count	0
91677	Molecular_Weight	312.11
946918	Molecular_Weight	301.30
78398	Molecular_Weight	198.72
159952	Covalent_Unit_Count	2
5352624	Undefined_Atom_Stereo_Count	0
3681305	Molecular_Weight	95.979
54175	Total_Formal_Charge	0
638105	Undefined_Bond_Stereo_Count	0
123422	Mono_Isotopic_Weight	148.074896272
5281881	Defined_Bond_Stereo_Count	1
558889	Total_Formal_Charge	0
13082758	Non-hydrogen_Atom_Count	7
19425	Total_Formal_Charge	0
44513473	Hydrogen_Bond_Acceptor_Count	6
75674	Hydrogen_Bond_Donor_Count	0
10285780	Defined_Atom_Stereo_Count	0
42623223	Structure_Complexity	543
13769849	Molecular_Weight	493.5
16133793	Covalent_Unit_Count	1
54490	XLogP3	2.5
446504	Exact_Mass	393.13584202
142739236	Isotope_Atom_Count	0
586156	Isotope_Atom_Count	0
23599753	Total_Formal_Charge	0
3055174	Exact_Mass	468.23234512
51505	Rotatable_Bond_Count	10
9866622	Undefined_Atom_Stereo_Count	5
5045	Undefined_Atom_Stereo_Count	0
62432	Molecular_Weight	233.27
22286946	Mono_Isotopic_Weight	99.068413911
2734054	Undefined_Atom_Stereo_Count	0
11659487	Molecular_Weight	304.4
51081	Molecular_Weight	333.36
968472	Undefined_Atom_Stereo_Count	0
57750329	Hydrogen_Bond_Acceptor_Count	5
54697783	Defined_Atom_Stereo_Count	0
22349965	Covalent_Unit_Count	1
135544142	Hydrogen_Bond_Acceptor_Count	7
7111	Tautomer_Count	1
6438394	Undefined_Bond_Stereo_Count	0
13982269	Undefined_Bond_Stereo_Count	0
20585	Defined_Bond_Stereo_Count	0
44225660	XLogP3-AA	7.5
23653584	Exact_Mass	489.1255830
534094	Covalent_Unit_Count	1
7999	Defined_Bond_Stereo_Count	0
25094630	Covalent_Unit_Count	1
403016	Non-hydrogen_Atom_Count	32
9833444	TPSA	486
28557	Non-hydrogen_Atom_Count	18
11073379	Covalent_Unit_Count	1
5282192	Hydrogen_Bond_Donor_Count	4
16090272	Isotope_Atom_Count	0
541123	Defined_Atom_Stereo_Count	0
6437875	Undefined_Atom_Stereo_Count	1
971337	Exact_Mass	337.0869564
56954881	Mono_Isotopic_Weight	340.16879665
165906266	Molecular_Weight	98.15
3662392	Undefined_Atom_Stereo_Count	0
46841789	Non-hydrogen_Atom_Count	34
54338696	Structure_Complexity	162
62871	Undefined_Atom_Stereo_Count	0
10291131	Undefined_Atom_Stereo_Count	0
197066	TPSA	152
46173706	Defined_Bond_Stereo_Count	0
106358	Tautomer_Count	1
129491	Non-hydrogen_Atom_Count	36
2689	Rotatable_Bond_Count	1
44571150	Defined_Bond_Stereo_Count	0
66599	Tautomer_Count	15
5463599	XLogP3-AA	3.5
171995	Covalent_Unit_Count	3
55804	Defined_Bond_Stereo_Count	0
133952	Hydrogen_Bond_Acceptor_Count	7
7567	TPSA	6.5
10407120	Mono_Isotopic_Weight	375.15829154
12495	Hydrogen_Bond_Donor_Count	0
22061626	Undefined_Bond_Stereo_Count	0
73951506	Molecular_Weight	531.4
237766	Non-hydrogen_Atom_Count	19
11083864	Undefined_Atom_Stereo_Count	0
33733	Exact_Mass	426.37091007
11058021	Defined_Atom_Stereo_Count	0
9860946	Structure_Complexity	414
14494974	Mono_Isotopic_Weight	100.052429494
74370	Defined_Atom_Stereo_Count	0
22522	Non-hydrogen_Atom_Count	17
54370822	Mono_Isotopic_Weight	102.079312947
3045402	Rotatable_Bond_Count	0
146158340	TPSA	157
5360696	Defined_Atom_Stereo_Count	3
11263471	Covalent_Unit_Count	1
3758	Covalent_Unit_Count	1
45359047	Defined_Atom_Stereo_Count	6
4017	Undefined_Atom_Stereo_Count	15
53309	Hydrogen_Bond_Acceptor_Count	3
17349	Defined_Bond_Stereo_Count	0
39385	Molecular_Weight	293.75
22057568	Hydrogen_Bond_Donor_Count	0
58054368	Structure_Complexity	911
65589	Defined_Bond_Stereo_Count	0
118010510	Defined_Bond_Stereo_Count	0
94220	Hydrogen_Bond_Acceptor_Count	2
57031137	Non-hydrogen_Atom_Count	8
18363526	Rotatable_Bond_Count	0
60759	Molecular_Weight	267.32
10664	Undefined_Atom_Stereo_Count	0
350825	Undefined_Bond_Stereo_Count	0
6035169	Covalent_Unit_Count	1
446570	Hydrogen_Bond_Donor_Count	3
12867691	Mono_Isotopic_Weight	167.073499291
108144	Hydrogen_Bond_Donor_Count	2
2097895	Undefined_Bond_Stereo_Count	0
10231705	Exact_Mass	536.23180809
21696506	Exact_Mass	109.03884512
57013	XLogP3-AA	3.8
27024	Tautomer_Count	1
78062813	Defined_Atom_Stereo_Count	0
5508	Covalent_Unit_Count	1
529278	Hydrogen_Bond_Donor_Count	0
5352133	Molecular_Weight	373.27
151014	Tautomer_Count	2
8211	Molecular_Weight	241.46
98621118	Defined_Atom_Stereo_Count	6
89274700	Total_Formal_Charge	0
10701	Non-hydrogen_Atom_Count	8
145744	Tautomer_Count	2
65872	Hydrogen_Bond_Donor_Count	1
5986	Undefined_Bond_Stereo_Count	0
14529	Isotope_Atom_Count	0
71460924	TPSA	99.2
123071	Hydrogen_Bond_Donor_Count	1
10374415	XLogP3-AA	1.2
10441670	Total_Formal_Charge	0
17036	Mono_Isotopic_Weight	327.18344366
18462872	Exact_Mass	115.063328530
47491	Structure_Complexity	514
10496	Exact_Mass	192.04225873
129446563	Covalent_Unit_Count	1
151473	Covalent_Unit_Count	1
5721	Non-hydrogen_Atom_Count	23
661938	Rotatable_Bond_Count	8
19665	Total_Formal_Charge	0
52949613	Total_Formal_Charge	0
19360868	Defined_Atom_Stereo_Count	0
13707495	Rotatable_Bond_Count	1
7192	Tautomer_Count	2
32742	Molecular_Weight	114.14
67259543	XLogP3-AA	1.2
6918427	Tautomer_Count	10
5357258	Structure_Complexity	44
3288597	Non-hydrogen_Atom_Count	26
78035	Non-hydrogen_Atom_Count	6
107871	Total_Formal_Charge	0
14484	Defined_Bond_Stereo_Count	0
21868890	XLogP3-AA	1.4
672	Molecular_Weight	326.31
160312	Undefined_Bond_Stereo_Count	3
45358511	Molecular_Weight	620.6
4669250	Hydrogen_Bond_Donor_Count	1
818256	Undefined_Bond_Stereo_Count	0
69849	Undefined_Atom_Stereo_Count	0
126627233	Exact_Mass	100.100048391
5702238	Hydrogen_Bond_Donor_Count	0
71895	Defined_Bond_Stereo_Count	0
5281897	Isotope_Atom_Count	0
6986	Structure_Complexity	149
73154880	Exact_Mass	364.041132
160470	Hydrogen_Bond_Acceptor_Count	3
81223	Rotatable_Bond_Count	2
2521	Molecular_Weight	622.5
2742181	Hydrogen_Bond_Acceptor_Count	3
82116	Isotope_Atom_Count	0
524643	Non-hydrogen_Atom_Count	7
531	Structure_Complexity	1450
1482	Rotatable_Bond_Count	4
439918	Exact_Mass	175.05930578
518	Non-hydrogen_Atom_Count	64
142809	Covalent_Unit_Count	1
169682	Mono_Isotopic_Weight	200.06194880
67112011	Structure_Complexity	471
12256	Hydrogen_Bond_Acceptor_Count	1
441477	Mono_Isotopic_Weight	179.07937252
57856017	Rotatable_Bond_Count	0
13379958	XLogP3-AA	0.6
70280758	Rotatable_Bond_Count	4
3560	Hydrogen_Bond_Acceptor_Count	9
15940170	Structure_Complexity	655
261000	Hydrogen_Bond_Donor_Count	1
15211200	Defined_Bond_Stereo_Count	0
71567	Rotatable_Bond_Count	3
5368010	Hydrogen_Bond_Acceptor_Count	2
9828310	TPSA	114
24866515	Hydrogen_Bond_Acceptor_Count	7
11194306	Non-hydrogen_Atom_Count	8
143552208	Defined_Bond_Stereo_Count	0
62495	Mono_Isotopic_Weight	325.16779360
688303	Hydrogen_Bond_Donor_Count	0
14831302	Defined_Bond_Stereo_Count	0
571982	Hydrogen_Bond_Acceptor_Count	18
3154	Undefined_Atom_Stereo_Count	2
23269081	Exact_Mass	108.093900383
53846420	Hydrogen_Bond_Acceptor_Count	3
89283371	Defined_Bond_Stereo_Count	0
70276605	Isotope_Atom_Count	0
408511	Covalent_Unit_Count	1
94834	Total_Formal_Charge	0
17561	Rotatable_Bond_Count	2
9829639	Hydrogen_Bond_Acceptor_Count	11
21979976	Total_Formal_Charge	0
90488875	Covalent_Unit_Count	3
129830140	Total_Formal_Charge	0
21977681	Rotatable_Bond_Count	6
67004	Total_Formal_Charge	0
132274070	XLogP3-AA	5.6
4284331	Isotope_Atom_Count	0
3162	Exact_Mass	270.173213330
54758405	Total_Formal_Charge	0
11949689	Tautomer_Count	1
93321	Molecular_Weight	348.5
123611	Hydrogen_Bond_Acceptor_Count	52
56665393	Undefined_Bond_Stereo_Count	0
129856110	Structure_Complexity	665
123359989	Defined_Bond_Stereo_Count	0
22278	Undefined_Bond_Stereo_Count	0
24832095	Total_Formal_Charge	0
117828099	Isotope_Atom_Count	0
15951485	Undefined_Atom_Stereo_Count	1
48288	Covalent_Unit_Count	1
135452521	Structure_Complexity	1720
55290327	Covalent_Unit_Count	1
24450	TPSA	83.4
964856	Rotatable_Bond_Count	3
129012189	Hydrogen_Bond_Donor_Count	4
135398739	Total_Formal_Charge	0
22502	Defined_Bond_Stereo_Count	0
70807	Covalent_Unit_Count	1
70689318	XLogP3-AA	3.6
54230	Covalent_Unit_Count	1
40521	Exact_Mass	335.0724492
12219458	Undefined_Bond_Stereo_Count	0
15559317	Mono_Isotopic_Weight	842.51400504
31203	Hydrogen_Bond_Donor_Count	0
7761	Hydrogen_Bond_Acceptor_Count	4
1269	Molecular_Weight	534.7
535545	Molecular_Weight	85.15
135498233	Exact_Mass	165.02867436
3037	Structure_Complexity	226
129826870	Isotope_Atom_Count	0
20488107	Exact_Mass	139.04557046
76335	Hydrogen_Bond_Donor_Count	0
13028028	Total_Formal_Charge	0
604519	Undefined_Bond_Stereo_Count	0
447360	Non-hydrogen_Atom_Count	28
10087998	XLogP3	3.5
5492898	Undefined_Bond_Stereo_Count	0
57328384	Isotope_Atom_Count	0
9548611	Isotope_Atom_Count	0
12389638	Hydrogen_Bond_Acceptor_Count	0
83437	Covalent_Unit_Count	1
47824	Defined_Atom_Stereo_Count	0
20289356	Hydrogen_Bond_Acceptor_Count	3
21622656	Total_Formal_Charge	0
27903	TPSA	159
83669980	Structure_Complexity	92.5
74448	Hydrogen_Bond_Donor_Count	0
122669	Isotope_Atom_Count	0
88974	Tautomer_Count	9
85608271	Hydrogen_Bond_Acceptor_Count	2
117563748	Exact_Mass	98.048012819
67371	Hydrogen_Bond_Donor_Count	2
230995	Exact_Mass	162.068079557
84393	TPSA	25.3
15914	Defined_Bond_Stereo_Count	0
7012	Hydrogen_Bond_Donor_Count	1
6992788	Hydrogen_Bond_Donor_Count	1
10931393	Covalent_Unit_Count	1
23663954	Hydrogen_Bond_Donor_Count	0
124081896	Undefined_Atom_Stereo_Count	0
49789564	Mono_Isotopic_Weight	298.12521776
3062280	Rotatable_Bond_Count	8
904857	Structure_Complexity	343
6979027	Molecular_Weight	303.35
8946	Undefined_Atom_Stereo_Count	1
6435500	Total_Formal_Charge	0
11446863	Molecular_Weight	194.13
13360	Undefined_Bond_Stereo_Count	0
10161305	XLogP3-AA	3.4
12226	Undefined_Bond_Stereo_Count	0
12643154	TPSA	21.9
93538	Tautomer_Count	1
9912	Structure_Complexity	548
19883347	Defined_Bond_Stereo_Count	0
2132	Undefined_Bond_Stereo_Count	0
5953	Hydrogen_Bond_Acceptor_Count	4
16004	Exact_Mass	230.899010
20644743	Structure_Complexity	318
324379	XLogP3-AA	1.2
59471606	Structure_Complexity	114
40807	Undefined_Atom_Stereo_Count	0
3527278	Undefined_Atom_Stereo_Count	0
135398679	Defined_Bond_Stereo_Count	0
8363	Mono_Isotopic_Weight	228.078644241
117717939	Defined_Atom_Stereo_Count	1
54392263	Exact_Mass	114.104465066
5108383	Defined_Bond_Stereo_Count	0
84354	Exact_Mass	368.962275
57238241	Molecular_Weight	92.14
58265153	Covalent_Unit_Count	1
888374	Hydrogen_Bond_Donor_Count	0
125702	Defined_Bond_Stereo_Count	0
73306	Defined_Bond_Stereo_Count	0
1356	TPSA	147
43079	TPSA	20.3
135410875	Hydrogen_Bond_Acceptor_Count	7
14323	Tautomer_Count	3
403275	Undefined_Bond_Stereo_Count	0
5371578	Undefined_Bond_Stereo_Count	0
616172	Undefined_Atom_Stereo_Count	0
23278861	Hydrogen_Bond_Acceptor_Count	14
135484549	TPSA	184
108352	Undefined_Bond_Stereo_Count	0
3392711	TPSA	18.5
5403	Defined_Bond_Stereo_Count	0
34260	XLogP3-AA	6.9
45238	Molecular_Weight	289.4
73680	Mono_Isotopic_Weight	669.06554367
123400613	TPSA	9.2
67054	Undefined_Bond_Stereo_Count	0
585174	Mono_Isotopic_Weight	136.052429494
76049	Hydrogen_Bond_Donor_Count	0
21580808	Isotope_Atom_Count	0
17040	Exact_Mass	179.094628657
9804991	Hydrogen_Bond_Acceptor_Count	6
52942503	Mono_Isotopic_Weight	385.0418534
40302	Structure_Complexity	146
22717351	Rotatable_Bond_Count	2
30690	Structure_Complexity	527
57394706	Structure_Complexity	648
20519089	Rotatable_Bond_Count	16
9568613	Covalent_Unit_Count	3
82789	Total_Formal_Charge	0
135300	Hydrogen_Bond_Donor_Count	0
67628	Rotatable_Bond_Count	6
11259	Hydrogen_Bond_Acceptor_Count	4
136863	Structure_Complexity	68
73981	Mono_Isotopic_Weight	57.9905210
91827799	Rotatable_Bond_Count	1
89	Tautomer_Count	21
156369283	Rotatable_Bond_Count	2
99828	Non-hydrogen_Atom_Count	15
446753	Rotatable_Bond_Count	4
4932	Defined_Bond_Stereo_Count	0
15789	Hydrogen_Bond_Donor_Count	4
20872204	TPSA	51.6
74068	Isotope_Atom_Count	0
4659387	Undefined_Bond_Stereo_Count	0
18522786	Rotatable_Bond_Count	1
47354	Total_Formal_Charge	0
3180466	Total_Formal_Charge	0
101855556	Mono_Isotopic_Weight	368.08960285
123237074	XLogP3-AA	1.1
89094825	TPSA	18.5
160154	Rotatable_Bond_Count	2
4160	Hydrogen_Bond_Donor_Count	1
20006	Covalent_Unit_Count	1
98094	Molecular_Weight	128.22
92546	Mono_Isotopic_Weight	224.07970687
58044734	Hydrogen_Bond_Acceptor_Count	2
5756	Total_Formal_Charge	0
40466862	Isotope_Atom_Count	0
84614	Hydrogen_Bond_Acceptor_Count	4
13889162	Defined_Atom_Stereo_Count	0
10934	Non-hydrogen_Atom_Count	7
140376	Exact_Mass	108.068748264
173636	Total_Formal_Charge	0
953	Hydrogen_Bond_Acceptor_Count	7
24772043	Molecular_Weight	454.6
6436628	Covalent_Unit_Count	2
223866	Exact_Mass	408.20490738
8122	Exact_Mass	312.302830514
5106600	Structure_Complexity	103
23533634	Mono_Isotopic_Weight	118.062994177
7498	Undefined_Atom_Stereo_Count	0
67151	TPSA	46.9
154517172	TPSA	3
21863620	Undefined_Bond_Stereo_Count	0
78148	Covalent_Unit_Count	1
309266	Rotatable_Bond_Count	2
46783063	Exact_Mass	364.1376123
96238	Exact_Mass	124.088815002
74031	Hydrogen_Bond_Acceptor_Count	2
139062042	Defined_Bond_Stereo_Count	0
89082395	Covalent_Unit_Count	1
1491	Defined_Atom_Stereo_Count	0
5068681	Total_Formal_Charge	0
88959440	Total_Formal_Charge	0
73425700	Defined_Atom_Stereo_Count	0
285402	Structure_Complexity	292
128913	Covalent_Unit_Count	1
35047	Defined_Atom_Stereo_Count	0
90921336	Tautomer_Count	2
439846	Exact_Mass	76.052429494
60196261	Defined_Atom_Stereo_Count	0
12374	Mono_Isotopic_Weight	118.099379685
129876172	Undefined_Atom_Stereo_Count	0
23170707	Mono_Isotopic_Weight	112.125200510
13925600	TPSA	20.2
5324585	Covalent_Unit_Count	1
16170	Mono_Isotopic_Weight	331.1339066
19438210	Non-hydrogen_Atom_Count	8
25144864	Non-hydrogen_Atom_Count	78
60196412	TPSA	146
970648	Total_Formal_Charge	0
153791162	Rotatable_Bond_Count	1
5359272	TPSA	23.5
3239396	Non-hydrogen_Atom_Count	20
73755067	Defined_Atom_Stereo_Count	5
71961	Hydrogen_Bond_Donor_Count	6
7551	Isotope_Atom_Count	0
3435	Exact_Mass	225.03857033
44349928	Exact_Mass	239.11575802
6788	Rotatable_Bond_Count	22
139062656	Total_Formal_Charge	0
12285868	Isotope_Atom_Count	0
16129620	Exact_Mass	3356.8220541
7685	Hydrogen_Bond_Acceptor_Count	2
7819	XLogP3	2.2
45085421	Non-hydrogen_Atom_Count	8
32249	Defined_Atom_Stereo_Count	0
137673	Hydrogen_Bond_Donor_Count	0
46204396	Defined_Bond_Stereo_Count	0
131982921	Hydrogen_Bond_Acceptor_Count	2
446801	Isotope_Atom_Count	0
6271	Undefined_Bond_Stereo_Count	0
9952916	Hydrogen_Bond_Acceptor_Count	4
3085106	Covalent_Unit_Count	2
164888	Undefined_Atom_Stereo_Count	0
71449805	Hydrogen_Bond_Donor_Count	1
25113190	Molecular_Weight	763.5
12836140	Molecular_Weight	111.18
10899521	Undefined_Bond_Stereo_Count	0
519415	Exact_Mass	146.130679813
1242	Structure_Complexity	291
4438527	Non-hydrogen_Atom_Count	45
87724106	Defined_Bond_Stereo_Count	0
13838546	Exact_Mass	110.048012819
123816	Undefined_Bond_Stereo_Count	1
73415798	Defined_Bond_Stereo_Count	3
72014	Undefined_Bond_Stereo_Count	0
2727	Hydrogen_Bond_Acceptor_Count	3
3047810	XLogP3-AA	2.5
135348034	Exact_Mass	111.043261792
456214	XLogP3-AA	4.3
15217249	Undefined_Atom_Stereo_Count	1
119090957	Undefined_Atom_Stereo_Count	0
82734	Molecular_Weight	145.18
23368	Mono_Isotopic_Weight	230.15180918
542354	Total_Formal_Charge	0
5354	Undefined_Bond_Stereo_Count	0
547	Hydrogen_Bond_Donor_Count	3
21702822	Hydrogen_Bond_Acceptor_Count	1
133728	Hydrogen_Bond_Donor_Count	2
2384	Hydrogen_Bond_Acceptor_Count	4
89976630	XLogP3-AA	1
144531850	Undefined_Atom_Stereo_Count	0
12732836	Exact_Mass	153.151749610
5382853	XLogP3-AA	2.6
3082052	Covalent_Unit_Count	1
65050	Rotatable_Bond_Count	2
11846570	Undefined_Bond_Stereo_Count	0
6918191	Covalent_Unit_Count	1
34520	Undefined_Bond_Stereo_Count	0
24825253	XLogP3-AA	6.8
8314	Defined_Atom_Stereo_Count	0
128	Isotope_Atom_Count	0
99010	Rotatable_Bond_Count	3
14546	Mono_Isotopic_Weight	215.9744848
66296	Non-hydrogen_Atom_Count	7
71463826	Isotope_Atom_Count	0
8974	TPSA	140
5281794	TPSA	46.5
5314562	Covalent_Unit_Count	1
46224603	Undefined_Bond_Stereo_Count	0
673	Mono_Isotopic_Weight	103.063328530
13577	Defined_Bond_Stereo_Count	0
93738	Total_Formal_Charge	0
96092	Hydrogen_Bond_Donor_Count	1
11508924	XLogP3-AA	2.3
87157524	Hydrogen_Bond_Acceptor_Count	4
58647035	Rotatable_Bond_Count	1
7751	Hydrogen_Bond_Acceptor_Count	2
70702001	Isotope_Atom_Count	0
6918283	TPSA	239
29396	Undefined_Bond_Stereo_Count	0
5077	Non-hydrogen_Atom_Count	18
6446	Total_Formal_Charge	0
6537	XLogP3-AA	8.9
1211	Undefined_Atom_Stereo_Count	2
24526	Non-hydrogen_Atom_Count	2
56673690	Molecular_Weight	508.0
77720	Exact_Mass	223.08445790
16072155	Mono_Isotopic_Weight	582.3085169
6438712	XLogP3-AA	3
9821849	Structure_Complexity	739
6971098	Hydrogen_Bond_Donor_Count	5
41191	Defined_Atom_Stereo_Count	0
4257	Rotatable_Bond_Count	4
44414678	XLogP3-AA	4.3
5284503	Covalent_Unit_Count	1
41088	Undefined_Bond_Stereo_Count	0
6623	Rotatable_Bond_Count	2
71462628	Rotatable_Bond_Count	9
71072034	Molecular_Weight	491.4
6473973	Hydrogen_Bond_Acceptor_Count	14
19357220	Non-hydrogen_Atom_Count	8
30468	Defined_Bond_Stereo_Count	0
61812	Hydrogen_Bond_Donor_Count	0
9962	Structure_Complexity	106
45266540	Hydrogen_Bond_Acceptor_Count	23
61059	Non-hydrogen_Atom_Count	12
3571582	Exact_Mass	206.00135954
2733178	Total_Formal_Charge	0
11700696	Undefined_Bond_Stereo_Count	0
23618458	Undefined_Atom_Stereo_Count	0
51021	Defined_Bond_Stereo_Count	0
10798	Structure_Complexity	75.6
123314224	Isotope_Atom_Count	0
25607	XLogP3	5.5
60169	Rotatable_Bond_Count	29
9964	Defined_Atom_Stereo_Count	0
80507	Hydrogen_Bond_Acceptor_Count	3
60803	XLogP3-AA	3.6
5319706	Structure_Complexity	314
665063	Covalent_Unit_Count	1
135391044	Hydrogen_Bond_Acceptor_Count	14
84068	Undefined_Atom_Stereo_Count	19
145925690	Total_Formal_Charge	0
86380	Covalent_Unit_Count	1
135882	Molecular_Weight	249.39
66247	Exact_Mass	433.12526
36688091	Mono_Isotopic_Weight	191.11441535
12344797	Hydrogen_Bond_Acceptor_Count	2
58137106	XLogP3-AA	1.3
12305761	Rotatable_Bond_Count	3
26560	Undefined_Bond_Stereo_Count	0
59664	Exact_Mass	354.00765
588352	Structure_Complexity	296
13184281	Non-hydrogen_Atom_Count	8
134694358	Defined_Bond_Stereo_Count	0
5362129	Isotope_Atom_Count	0
13380150	Undefined_Bond_Stereo_Count	0
57394197	TPSA	77.6
5362620	Hydrogen_Bond_Acceptor_Count	1
146465392	Hydrogen_Bond_Donor_Count	0
1712	Defined_Bond_Stereo_Count	0
57656657	Undefined_Bond_Stereo_Count	0
18477728	Mono_Isotopic_Weight	957.58135632
85874	Exact_Mass	245.1182566
100915014	Isotope_Atom_Count	0
30190	Defined_Atom_Stereo_Count	0
102506015	Undefined_Bond_Stereo_Count	0
11269	Undefined_Atom_Stereo_Count	0
627458	Tautomer_Count	1
70697656	Undefined_Bond_Stereo_Count	0
52165	Structure_Complexity	523
103023	Structure_Complexity	128
552549	Defined_Bond_Stereo_Count	0
62779	Rotatable_Bond_Count	1
73619	Rotatable_Bond_Count	3
158294441	Hydrogen_Bond_Donor_Count	1
10178705	XLogP3-AA	1.1
115072	Molecular_Weight	248.32
22087370	Defined_Atom_Stereo_Count	0
61534	Mono_Isotopic_Weight	91.940821
9866696	Non-hydrogen_Atom_Count	30
443495	Undefined_Atom_Stereo_Count	0
124524088	Covalent_Unit_Count	1
6436860	Undefined_Atom_Stereo_Count	0
25164000	Covalent_Unit_Count	1
113917	Rotatable_Bond_Count	4
21019405	TPSA	50.1
51017507	Structure_Complexity	2330
71305059	Defined_Atom_Stereo_Count	2
64994767	Rotatable_Bond_Count	1
192711	Non-hydrogen_Atom_Count	22
5281612	Mono_Isotopic_Weight	300.06338810
60196291	TPSA	606
165542295	Non-hydrogen_Atom_Count	8
7240495	Defined_Bond_Stereo_Count	1
7716	XLogP3	7.7
11136	Exact_Mass	393.935436
9573395	Mono_Isotopic_Weight	645.23224432
20549002	Hydrogen_Bond_Donor_Count	0
54388248	Undefined_Atom_Stereo_Count	1
23653584	Isotope_Atom_Count	0
13803506	Mono_Isotopic_Weight	108.093900383
53669425	Molecular_Weight	259.20
6476333	Hydrogen_Bond_Acceptor_Count	15
361753	Isotope_Atom_Count	0
32872	Undefined_Atom_Stereo_Count	1
3628	Total_Formal_Charge	0
94317	Covalent_Unit_Count	1
36354	Hydrogen_Bond_Donor_Count	1
49866022	Isotope_Atom_Count	0
63245	Defined_Bond_Stereo_Count	0
15580	Exact_Mass	276.0319997
7222	Rotatable_Bond_Count	0
146156434	Rotatable_Bond_Count	9
84883	Defined_Bond_Stereo_Count	0
12791421	Defined_Atom_Stereo_Count	0
2135	Mono_Isotopic_Weight	202.098037015
9884642	Defined_Bond_Stereo_Count	0
57082	Hydrogen_Bond_Acceptor_Count	4
4127	Non-hydrogen_Atom_Count	19
5310957	Isotope_Atom_Count	0
56982924	Undefined_Bond_Stereo_Count	0
3343558	XLogP3-AA	0.7
13015037	Undefined_Atom_Stereo_Count	0
129027658	Defined_Bond_Stereo_Count	0
22500965	Undefined_Bond_Stereo_Count	0
319344	Rotatable_Bond_Count	13
68201	Molecular_Weight	225.35
88589623	Total_Formal_Charge	0
437570	Molecular_Weight	100.08
145709612	Defined_Bond_Stereo_Count	0
24191118	Total_Formal_Charge	0
717	Rotatable_Bond_Count	4
153643637	Defined_Bond_Stereo_Count	0
124201874	TPSA	155
17356	Defined_Bond_Stereo_Count	0
14497	Isotope_Atom_Count	0
18921	Mono_Isotopic_Weight	209.90002
20165534	Rotatable_Bond_Count	0
70688569	Total_Formal_Charge	0
1781	Total_Formal_Charge	0
404513	Defined_Bond_Stereo_Count	0
66359	Non-hydrogen_Atom_Count	23
5351141	Mono_Isotopic_Weight	435.1844180
141225356	Covalent_Unit_Count	1
69631	Total_Formal_Charge	0
5282164	Hydrogen_Bond_Donor_Count	1
137554722	Undefined_Bond_Stereo_Count	0
23688359	Total_Formal_Charge	0
289460	Hydrogen_Bond_Acceptor_Count	4
6855	Non-hydrogen_Atom_Count	19
6420041	Covalent_Unit_Count	4
7351	Total_Formal_Charge	0
67236	Mono_Isotopic_Weight	264.078644241
14171936	Covalent_Unit_Count	1
393602	Rotatable_Bond_Count	5
6741	Undefined_Atom_Stereo_Count	0
3209	Structure_Complexity	398
445555	Isotope_Atom_Count	0
233979	Total_Formal_Charge	0
5665	Structure_Complexity	112
219833	Tautomer_Count	1
293676	TPSA	21.6
53968086	Defined_Atom_Stereo_Count	0
92326	Total_Formal_Charge	0
93896	XLogP3-AA	5.6
45358084	Total_Formal_Charge	0
71429293	Molecular_Weight	100.16
25163980	Defined_Atom_Stereo_Count	4
19978898	Defined_Atom_Stereo_Count	0
48288	Undefined_Atom_Stereo_Count	1
11460	Undefined_Bond_Stereo_Count	0
79506	Mono_Isotopic_Weight	126.104465066
16218742	Rotatable_Bond_Count	37
11815299	Exact_Mass	104.094963011
10865248	Undefined_Bond_Stereo_Count	0
72200670	Isotope_Atom_Count	0
11355992	Non-hydrogen_Atom_Count	13
190	Covalent_Unit_Count	1
84063983	Hydrogen_Bond_Donor_Count	0
134694395	Undefined_Atom_Stereo_Count	3
67156338	Total_Formal_Charge	0
95978	Non-hydrogen_Atom_Count	12
53845104	Mono_Isotopic_Weight	87.043261792
11773	Non-hydrogen_Atom_Count	19
45086609	Undefined_Bond_Stereo_Count	0
101176453	Rotatable_Bond_Count	15
4476692	Undefined_Atom_Stereo_Count	3
5281517	Non-hydrogen_Atom_Count	15
28540	Rotatable_Bond_Count	4
5311027	Mono_Isotopic_Weight	415.27225866
17131	Rotatable_Bond_Count	0
129866213	Molecular_Weight	500.5
70465919	Rotatable_Bond_Count	0
20055408	Defined_Bond_Stereo_Count	0
136305445	Hydrogen_Bond_Donor_Count	1
169952	Total_Formal_Charge	0
60196268	Undefined_Bond_Stereo_Count	0
22833567	Undefined_Bond_Stereo_Count	0
10017963	Structure_Complexity	481
261075	Rotatable_Bond_Count	4
67054	Undefined_Atom_Stereo_Count	0
410214	Isotope_Atom_Count	0
158785912	Hydrogen_Bond_Donor_Count	5
4362	Non-hydrogen_Atom_Count	9
12655091	Undefined_Atom_Stereo_Count	1
5663	Non-hydrogen_Atom_Count	29
6245	Defined_Atom_Stereo_Count	4
154	Structure_Complexity	413
32359	Exact_Mass	190.110613074
93369	Defined_Atom_Stereo_Count	0
21866494	Exact_Mass	101.047678466
49654	Isotope_Atom_Count	0
69610	Covalent_Unit_Count	1
105426935	Undefined_Atom_Stereo_Count	1
79824	Structure_Complexity	125
10245972	Molecular_Weight	328.5
139670117	Undefined_Atom_Stereo_Count	1
5464190	Structure_Complexity	869
11742188	Mono_Isotopic_Weight	408.11437830
34725	Mono_Isotopic_Weight	174.125594432
16049088	XLogP3-AA	2.9
55286835	Exact_Mass	113.058911855
135505	Defined_Bond_Stereo_Count	0
4469	Covalent_Unit_Count	9
13529	XLogP3	1.7
131801066	Defined_Bond_Stereo_Count	0
164656	Molecular_Weight	104.15
137319715	Hydrogen_Bond_Acceptor_Count	2
1553	Total_Formal_Charge	0
10039361	Exact_Mass	281.116426730
3153	Tautomer_Count	53
60668	Rotatable_Bond_Count	7
57061367	Structure_Complexity	62.7
10996972	Isotope_Atom_Count	0
41442	Rotatable_Bond_Count	3
13380150	Defined_Atom_Stereo_Count	0
12659781	TPSA	12.5
701621	Mono_Isotopic_Weight	329.08634960
54023308	XLogP3-AA	1.3
398517	TPSA	100
198231	Defined_Bond_Stereo_Count	0
12220383	Hydrogen_Bond_Acceptor_Count	1
22961298	Isotope_Atom_Count	0
5568	Rotatable_Bond_Count	4
6004	Hydrogen_Bond_Donor_Count	1
439778	Mono_Isotopic_Weight	84.021129366
1292	Structure_Complexity	138
26398	Molecular_Weight	251.11
10313118	Defined_Atom_Stereo_Count	0
47319	Mono_Isotopic_Weight	928.50852574
7364357	Isotope_Atom_Count	0
22934413	Rotatable_Bond_Count	2
15436	XLogP3-AA	1.3
181134	Hydrogen_Bond_Donor_Count	0
6293	Undefined_Atom_Stereo_Count	0
135413534	Defined_Atom_Stereo_Count	1
40443	Undefined_Atom_Stereo_Count	3
21157625	Isotope_Atom_Count	0
30489	Structure_Complexity	115
520744	Mono_Isotopic_Weight	142.135765193
8346	Undefined_Bond_Stereo_Count	0
17779	Isotope_Atom_Count	0
4443516	Undefined_Atom_Stereo_Count	1
26229	Mono_Isotopic_Weight	186.0083718
9154	Hydrogen_Bond_Acceptor_Count	0
13586013	Defined_Atom_Stereo_Count	0
46229348	Rotatable_Bond_Count	2
6940	Defined_Atom_Stereo_Count	0
14143095	Molecular_Weight	116.11
15204529	Hydrogen_Bond_Acceptor_Count	1
7922	Total_Formal_Charge	0
35781	Molecular_Weight	192.21
2779024	XLogP3-AA	0.7
62253	Hydrogen_Bond_Donor_Count	0
3283968	Exact_Mass	118.062994177
20188	Molecular_Weight	341.7
146367450	Mono_Isotopic_Weight	284.16237386
161218	Hydrogen_Bond_Acceptor_Count	8
42790	Total_Formal_Charge	0
320459	TPSA	75.1
127657	XLogP3-AA	4.4
131632429	Rotatable_Bond_Count	10
9543443	Exact_Mass	361.07661306
2740171	TPSA	41.9
38013	Rotatable_Bond_Count	1
129800396	Hydrogen_Bond_Acceptor_Count	3
16219444	Non-hydrogen_Atom_Count	24
21884945	Undefined_Bond_Stereo_Count	0
1724	Covalent_Unit_Count	1
533854	Undefined_Bond_Stereo_Count	0
439196	TPSA	42.5
13610389	Undefined_Bond_Stereo_Count	0
11073348	Hydrogen_Bond_Donor_Count	2
26173	Structure_Complexity	120
21889836	Molecular_Weight	679.8
5283313	Mono_Isotopic_Weight	116.083729621
4611060	TPSA	69.2
80201	Mono_Isotopic_Weight	210.08920892
122449120	Covalent_Unit_Count	1
3294	Exact_Mass	241.07389321
67643801	Defined_Atom_Stereo_Count	0
12201383	Undefined_Bond_Stereo_Count	0
135409836	Defined_Atom_Stereo_Count	2
9883372	Total_Formal_Charge	0
17253	Undefined_Bond_Stereo_Count	0
54326118	Exact_Mass	110.048012819
10306	Isotope_Atom_Count	0
230351	Rotatable_Bond_Count	0
3356829	Total_Formal_Charge	0
12116847	Hydrogen_Bond_Acceptor_Count	4
5378597	Non-hydrogen_Atom_Count	33
5288217	Covalent_Unit_Count	1
21578704	Undefined_Bond_Stereo_Count	0
76192	Mono_Isotopic_Weight	203.9744848
25256833	Covalent_Unit_Count	1
565843	Covalent_Unit_Count	1
5472	Hydrogen_Bond_Acceptor_Count	2
59844561	Isotope_Atom_Count	0
44338979	Rotatable_Bond_Count	14
17751002	Hydrogen_Bond_Acceptor_Count	5
4842	Hydrogen_Bond_Donor_Count	0
23430	Defined_Atom_Stereo_Count	0
6165177	Hydrogen_Bond_Acceptor_Count	9
9964065	Total_Formal_Charge	0
39688	Undefined_Atom_Stereo_Count	0
56672297	Defined_Atom_Stereo_Count	0
44190035	Undefined_Bond_Stereo_Count	0
12493366	Total_Formal_Charge	0
11524144	Exact_Mass	399.20591044
8250	Structure_Complexity	303
67629	Mono_Isotopic_Weight	236.1707067
524314	Non-hydrogen_Atom_Count	11
22323244	Defined_Atom_Stereo_Count	0
444360	Isotope_Atom_Count	0
135926580	TPSA	309
45120354	Non-hydrogen_Atom_Count	8
4659387	Defined_Atom_Stereo_Count	0
2864	Exact_Mass	584.33491849
91475	Rotatable_Bond_Count	2
11804893	Defined_Bond_Stereo_Count	0
11389	TPSA	25.8
11446305	Structure_Complexity	113
455799	Non-hydrogen_Atom_Count	43
257761	Defined_Bond_Stereo_Count	0
65726	Total_Formal_Charge	0
15930578	Isotope_Atom_Count	0
11263485	Defined_Atom_Stereo_Count	0
13734208	Tautomer_Count	1
16249	Exact_Mass	144.04225873
15074	Non-hydrogen_Atom_Count	9
83822	Covalent_Unit_Count	1
44563116	Mono_Isotopic_Weight	419.24335857
173799	Molecular_Weight	464.5
22304	Covalent_Unit_Count	2
93738	Hydrogen_Bond_Donor_Count	0
53276	Exact_Mass	304.13355396
20234581	Structure_Complexity	51.9
132584645	Hydrogen_Bond_Donor_Count	0
119525	Hydrogen_Bond_Acceptor_Count	10
12771232	Molecular_Weight	114.10
579338	Molecular_Weight	123.15
3283968	Defined_Atom_Stereo_Count	0
21284699	Hydrogen_Bond_Acceptor_Count	2
4855	XLogP3	1.3
124201874	Undefined_Bond_Stereo_Count	0
24961094	TPSA	103
133967	Defined_Bond_Stereo_Count	0
11813	Defined_Bond_Stereo_Count	0
13924394	Hydrogen_Bond_Acceptor_Count	2
13027931	Defined_Bond_Stereo_Count	0
141276996	Hydrogen_Bond_Donor_Count	1
3036222	Structure_Complexity	355
19063438	Non-hydrogen_Atom_Count	8
129661122	Non-hydrogen_Atom_Count	10
96405	Covalent_Unit_Count	1
41353	Rotatable_Bond_Count	6
65835	Rotatable_Bond_Count	2
91566861	Total_Formal_Charge	0
71306478	Rotatable_Bond_Count	3
4023	TPSA	90.4
129320459	Covalent_Unit_Count	1
18923031	Rotatable_Bond_Count	0
42174	Defined_Atom_Stereo_Count	0
9985155	Defined_Atom_Stereo_Count	0
6409631	Hydrogen_Bond_Donor_Count	8
9543216	Rotatable_Bond_Count	0
9491	Total_Formal_Charge	0
43184	Total_Formal_Charge	0
173994	Hydrogen_Bond_Donor_Count	0
96476	Hydrogen_Bond_Acceptor_Count	1
71808	Undefined_Atom_Stereo_Count	1
779	Total_Formal_Charge	0
60196378	Covalent_Unit_Count	2
9554809	Undefined_Atom_Stereo_Count	0
3199	Tautomer_Count	153
139085	XLogP3-AA	3.4
5468154	Total_Formal_Charge	0
8773	Hydrogen_Bond_Acceptor_Count	9
41097873	Structure_Complexity	494
44419427	Covalent_Unit_Count	1
91260	Hydrogen_Bond_Acceptor_Count	2
119196	Undefined_Bond_Stereo_Count	0
5365022	Exact_Mass	490.547752233
11274980	TPSA	42.8
342403	Non-hydrogen_Atom_Count	10
101305714	Exact_Mass	885.48745594
101417707	Isotope_Atom_Count	0
904	Hydrogen_Bond_Acceptor_Count	1
19778654	Hydrogen_Bond_Donor_Count	1
2117002	Rotatable_Bond_Count	5
91936863	Total_Formal_Charge	0
132236745	Covalent_Unit_Count	1
70922	Defined_Atom_Stereo_Count	0
22341299	Total_Formal_Charge	0
11954350	Defined_Atom_Stereo_Count	1
28495	Molecular_Weight	181.15
1283	Undefined_Bond_Stereo_Count	0
12894	Exact_Mass	267.06776246
82755	Rotatable_Bond_Count	2
5816	Molecular_Weight	183.20
23669238	Mono_Isotopic_Weight	537.8933753
7369	Mono_Isotopic_Weight	175.9698783
54610537	Isotope_Atom_Count	0
1315	Defined_Bond_Stereo_Count	0
7179	Hydrogen_Bond_Donor_Count	0
10449	Mono_Isotopic_Weight	89.027691913
6436126	Total_Formal_Charge	0
158389	Rotatable_Bond_Count	0
57286318	Structure_Complexity	141
158371	Defined_Bond_Stereo_Count	0
12648109	TPSA	20.2
322968	TPSA	60.8
59296099	Non-hydrogen_Atom_Count	32
71458236	Total_Formal_Charge	0
94647	Defined_Bond_Stereo_Count	0
3037206	Defined_Atom_Stereo_Count	12
9812710	Covalent_Unit_Count	2
6918454	Hydrogen_Bond_Donor_Count	2
44630475	Mono_Isotopic_Weight	399.06814
11481426	Structure_Complexity	254
21354291	Structure_Complexity	138
89300333	Structure_Complexity	111
91236903	Mono_Isotopic_Weight	110.109550447
17549	Non-hydrogen_Atom_Count	16
630348	Mono_Isotopic_Weight	330.98441
12639	Undefined_Bond_Stereo_Count	0
71402	Defined_Bond_Stereo_Count	0
10862733	Rotatable_Bond_Count	0
20469	Covalent_Unit_Count	1
59483386	Molecular_Weight	116.12
216237	Defined_Bond_Stereo_Count	0
4075158	Structure_Complexity	149
67507057	Exact_Mass	116.058577502
85057	Molecular_Weight	452.4
58079819	Undefined_Bond_Stereo_Count	0
7594067	Hydrogen_Bond_Acceptor_Count	6
14794987	Structure_Complexity	54.9
519103	Hydrogen_Bond_Donor_Count	2
57398254	XLogP3-AA	3.1
20056755	Exact_Mass	342.11621151
73425158	Exact_Mass	111.068413911
257	Exact_Mass	711.43226354
8076	Covalent_Unit_Count	1
20024	Rotatable_Bond_Count	1
142101289	Hydrogen_Bond_Acceptor_Count	3
135446210	Defined_Bond_Stereo_Count	0
19039	Hydrogen_Bond_Acceptor_Count	18
57396149	Rotatable_Bond_Count	7
5321948	Non-hydrogen_Atom_Count	20
57928403	Hydrogen_Bond_Donor_Count	4
5310985	Molecular_Weight	308.4
11332442	Undefined_Bond_Stereo_Count	0
123400934	Defined_Bond_Stereo_Count	0
22103887	Defined_Atom_Stereo_Count	0
24808640	Molecular_Weight	94.11
19241	Tautomer_Count	1
10329304	Exact_Mass	125.872641
73887162	Total_Formal_Charge	0
71457147	Isotope_Atom_Count	0
54063593	Total_Formal_Charge	0
32052	Rotatable_Bond_Count	2
31639	Total_Formal_Charge	0
9013	Defined_Atom_Stereo_Count	0
161830	Mono_Isotopic_Weight	266.85305
12540907	Defined_Atom_Stereo_Count	0
68702	Molecular_Weight	266.30
15186998	Undefined_Bond_Stereo_Count	0
3540	Undefined_Atom_Stereo_Count	0
60191	Non-hydrogen_Atom_Count	40
11122050	Defined_Bond_Stereo_Count	0
53584	Hydrogen_Bond_Donor_Count	1
13838	Non-hydrogen_Atom_Count	9
9549180	TPSA	40.5
69340938	Defined_Atom_Stereo_Count	0
136703	Non-hydrogen_Atom_Count	8
10971	Structure_Complexity	165
24972541	Total_Formal_Charge	0
361739	TPSA	34.1
12401	Tautomer_Count	1
51432351	Structure_Complexity	609
11230	Molecular_Weight	154.25
11700696	Defined_Atom_Stereo_Count	0
1550470	TPSA	26.3
5367412	Non-hydrogen_Atom_Count	11
11867	Mono_Isotopic_Weight	173.99867984
6857538	Defined_Atom_Stereo_Count	2
22015243	Non-hydrogen_Atom_Count	8
589615	Molecular_Weight	146.15
11508058	Hydrogen_Bond_Donor_Count	0
68503813	Rotatable_Bond_Count	0
72200166	Rotatable_Bond_Count	12
76140	XLogP3-AA	10.4
144826028	Non-hydrogen_Atom_Count	8
347748	Hydrogen_Bond_Donor_Count	1
19078026	Hydrogen_Bond_Donor_Count	0
9536	Rotatable_Bond_Count	8
6915732	Mono_Isotopic_Weight	179.07937252
10483883	Isotope_Atom_Count	0
10658	Covalent_Unit_Count	1
3330	Mono_Isotopic_Weight	254.04154528
20650455	Non-hydrogen_Atom_Count	6
679777	Total_Formal_Charge	0
10290812	Covalent_Unit_Count	1
472946	Hydrogen_Bond_Donor_Count	1
19266	Structure_Complexity	207
5282321	Hydrogen_Bond_Donor_Count	3
67963	Exact_Mass	195.0062613
127036660	Covalent_Unit_Count	1
47357	Hydrogen_Bond_Acceptor_Count	4
135400184	TPSA	106
146157010	TPSA	32.7
6603806	Defined_Atom_Stereo_Count	1
21563	TPSA	32.5
44563068	Isotope_Atom_Count	0
39650	Isotope_Atom_Count	0
1261	Defined_Atom_Stereo_Count	0
16219444	Undefined_Bond_Stereo_Count	0
5984	Isotope_Atom_Count	0
123309341	Rotatable_Bond_Count	0
3047803	Isotope_Atom_Count	0
10171348	Rotatable_Bond_Count	2
13134933	Molecular_Weight	355.32
14751894	Mono_Isotopic_Weight	100.063662883
11332442	Undefined_Atom_Stereo_Count	0
154655788	Structure_Complexity	103
197855	TPSA	151
53692307	Hydrogen_Bond_Donor_Count	0
71398	Non-hydrogen_Atom_Count	22
36688155	TPSA	162
89590	Molecular_Weight	164.20
7835	Structure_Complexity	37.9
8257	XLogP3-AA	0.8
62441	Mono_Isotopic_Weight	349.28282334
71170	Undefined_Bond_Stereo_Count	0
277694	Undefined_Bond_Stereo_Count	0
20429	Molecular_Weight	86.09
134925337	Molecular_Weight	101.15
90750	Exact_Mass	291.173547683
94885	Non-hydrogen_Atom_Count	13
102738	Hydrogen_Bond_Acceptor_Count	2
155903765	Hydrogen_Bond_Donor_Count	4
926580	Exact_Mass	279.05000439
74616	Isotope_Atom_Count	0
454216	Exact_Mass	723.21387469
54024247	Total_Formal_Charge	0
12262514	Hydrogen_Bond_Donor_Count	1
57004451	Rotatable_Bond_Count	1
128919	Structure_Complexity	541
125461340	TPSA	231
11622593	Defined_Bond_Stereo_Count	0
14523552	Molecular_Weight	378.4
15629522	Hydrogen_Bond_Acceptor_Count	2
14275	Covalent_Unit_Count	1
3552	Hydrogen_Bond_Donor_Count	1
12542141	Defined_Atom_Stereo_Count	0
129655960	Hydrogen_Bond_Donor_Count	2
6454	Total_Formal_Charge	0
448043	Exact_Mass	319.13544809
44119936	XLogP3-AA	4
9855476	Undefined_Atom_Stereo_Count	0
74735	Hydrogen_Bond_Donor_Count	0
5318	Undefined_Atom_Stereo_Count	1
74208	Undefined_Atom_Stereo_Count	0
3392178	Isotope_Atom_Count	0
670359	TPSA	53.5
140552347	Structure_Complexity	95.3
6325	Defined_Bond_Stereo_Count	0
62235132	Rotatable_Bond_Count	2
62583	Defined_Atom_Stereo_Count	0
3489	XLogP3	2.5
9889200	Mono_Isotopic_Weight	395.09397721
66342	Structure_Complexity	309
153994	Undefined_Bond_Stereo_Count	0
77067	Defined_Atom_Stereo_Count	0
55784	Rotatable_Bond_Count	5
45040316	Structure_Complexity	457
6857497	Rotatable_Bond_Count	0
18626415	Molecular_Weight	102.13
156591873	Non-hydrogen_Atom_Count	45
10548	Defined_Bond_Stereo_Count	0
69677	TPSA	25.8
13695806	Defined_Bond_Stereo_Count	0
72941442	Isotope_Atom_Count	0
338812	Isotope_Atom_Count	0
1033	Non-hydrogen_Atom_Count	52
634470	XLogP3-AA	3.9
10648	Hydrogen_Bond_Acceptor_Count	1
6904	Defined_Bond_Stereo_Count	0
9809002	Hydrogen_Bond_Acceptor_Count	6
148708	Molecular_Weight	260.08
89520	Defined_Atom_Stereo_Count	0
21893797	XLogP3-AA	0.8
57270176	Covalent_Unit_Count	1
16591	XLogP3-AA	2.4
2723631	Undefined_Atom_Stereo_Count	0
53819405	Exact_Mass	115.063328530
45357147	Undefined_Bond_Stereo_Count	0
7749	Exact_Mass	102.068079557
11241863	Total_Formal_Charge	0
16204922	Molecular_Weight	330.3
4676	Total_Formal_Charge	0
12639	Defined_Atom_Stereo_Count	0
21824034	Hydrogen_Bond_Acceptor_Count	2
20517187	Isotope_Atom_Count	0
3257	Hydrogen_Bond_Acceptor_Count	13
45410	Isotope_Atom_Count	0
89378	Rotatable_Bond_Count	1
53724680	Mono_Isotopic_Weight	99.104799419
58247512	XLogP3-AA	1.3
829795	XLogP3-AA	0.4
10282517	Defined_Atom_Stereo_Count	0
96570	Exact_Mass	272.01188512
84361	Defined_Atom_Stereo_Count	0
19068741	Structure_Complexity	108
95559	Molecular_Weight	114.14
23434975	Covalent_Unit_Count	1
7020337	Exact_Mass	477.09994880
7017101	Mono_Isotopic_Weight	124.063662883
94671	Total_Formal_Charge	0
518966	Covalent_Unit_Count	1
71518	Exact_Mass	441.08009
37508	Hydrogen_Bond_Donor_Count	0
637564	Hydrogen_Bond_Acceptor_Count	1
13659638	Isotope_Atom_Count	0
6431771	Undefined_Atom_Stereo_Count	0
83596	Hydrogen_Bond_Acceptor_Count	3
836041	Isotope_Atom_Count	0
22208	Total_Formal_Charge	0
4400696	Rotatable_Bond_Count	3
457831	XLogP3-AA	0.6
4820	Covalent_Unit_Count	1
9796440	Structure_Complexity	34.6
20662	Hydrogen_Bond_Acceptor_Count	2
141300213	Covalent_Unit_Count	1
121596688	Exact_Mass	1564.87256155
45266826	XLogP3-AA	2
62817	Hydrogen_Bond_Acceptor_Count	2
101484762	Undefined_Atom_Stereo_Count	3
53316407	Hydrogen_Bond_Donor_Count	0
12397138	Undefined_Atom_Stereo_Count	3
2833	Undefined_Atom_Stereo_Count	1
160796	Defined_Atom_Stereo_Count	0
266934	Non-hydrogen_Atom_Count	18
135915	Tautomer_Count	28
543565	Undefined_Bond_Stereo_Count	0
80690	TPSA	64.9
10883	Hydrogen_Bond_Acceptor_Count	3
46317	Rotatable_Bond_Count	15
443879	Molecular_Weight	325.5
62313624	Mono_Isotopic_Weight	97.089149355
57385877	Mono_Isotopic_Weight	369.24162724
40468	Rotatable_Bond_Count	1
21884945	Undefined_Atom_Stereo_Count	0
150748	Total_Formal_Charge	0
48558	Undefined_Bond_Stereo_Count	0
9548605	Undefined_Bond_Stereo_Count	0
4369	TPSA	110
68702	Hydrogen_Bond_Donor_Count	1
165413019	Molecular_Weight	268.23
443239	Undefined_Atom_Stereo_Count	0
533909	Isotope_Atom_Count	0
77532	Hydrogen_Bond_Donor_Count	0
12311253	Defined_Bond_Stereo_Count	0
22348641	Defined_Atom_Stereo_Count	0
17865372	Isotope_Atom_Count	0
20949	Undefined_Bond_Stereo_Count	0
738952	Covalent_Unit_Count	1
94834	Non-hydrogen_Atom_Count	13
25014075	Hydrogen_Bond_Acceptor_Count	1
102452877	Molecular_Weight	106.16
131954609	Total_Formal_Charge	0
3015773	Total_Formal_Charge	0
11063855	Mono_Isotopic_Weight	216.208930132
44573579	TPSA	57.2
3035842	Non-hydrogen_Atom_Count	12
130509102	Molecular_Weight	114.15
10909502	XLogP3	1.7
1964	TPSA	83.8
21578704	Undefined_Atom_Stereo_Count	0
457825	Mono_Isotopic_Weight	622.30428706
68016	Non-hydrogen_Atom_Count	10
143007	Undefined_Atom_Stereo_Count	0
10358218	Hydrogen_Bond_Donor_Count	3
75530159	Isotope_Atom_Count	0
20769	Structure_Complexity	125
403821	Undefined_Atom_Stereo_Count	1
10850	Covalent_Unit_Count	1
487101	Non-hydrogen_Atom_Count	30
14010333	Non-hydrogen_Atom_Count	23
14808025	Molecular_Weight	101.10
9919942	Molecular_Weight	1166.1
23678802	Undefined_Bond_Stereo_Count	0
7841	Hydrogen_Bond_Acceptor_Count	0
11477442	Tautomer_Count	1
80467969	TPSA	20.2
101103333	Undefined_Bond_Stereo_Count	0
115107	TPSA	41.9
13814319	Structure_Complexity	53.2
18950	Isotope_Atom_Count	0
126968498	Defined_Bond_Stereo_Count	0
76223462	Isotope_Atom_Count	0
14587284	Mono_Isotopic_Weight	99.032028402
70684820	Molecular_Weight	524.0
67387401	Defined_Atom_Stereo_Count	0
70689387	Molecular_Weight	477.5
25142175	Covalent_Unit_Count	1
123481111	Covalent_Unit_Count	1
104826	Undefined_Atom_Stereo_Count	1
20139920	TPSA	32.3
3021	Exact_Mass	451.26421316
71359012	Total_Formal_Charge	0
153986581	XLogP3-AA	0.1
49243	TPSA	101
9574768	XLogP3-AA	1.9
20848883	Molecular_Weight	562.1
65079	Rotatable_Bond_Count	12
56963	Tautomer_Count	1
19710	Defined_Bond_Stereo_Count	0
90335493	Rotatable_Bond_Count	0
324	Isotope_Atom_Count	0
15575778	Covalent_Unit_Count	1
5460185	Defined_Bond_Stereo_Count	0
3041256	Undefined_Atom_Stereo_Count	0
10177255	Molecular_Weight	371.8
34831	Total_Formal_Charge	0
71309927	Undefined_Bond_Stereo_Count	0
690	Defined_Atom_Stereo_Count	0
3086172	Molecular_Weight	416.3
42609791	Rotatable_Bond_Count	13
4366885	Defined_Atom_Stereo_Count	0
32184	Total_Formal_Charge	0
139194774	TPSA	89
248898	Defined_Bond_Stereo_Count	0
65399	Total_Formal_Charge	0
2723942	Undefined_Bond_Stereo_Count	0
14470	Defined_Bond_Stereo_Count	0
10569	TPSA	37.3
24181110	Total_Formal_Charge	0
14840499	Defined_Bond_Stereo_Count	0
53421140	Rotatable_Bond_Count	0
2485	Undefined_Bond_Stereo_Count	0
85743571	Isotope_Atom_Count	0
3033928	Defined_Atom_Stereo_Count	9
86007746	Defined_Bond_Stereo_Count	0
18397995	Molecular_Weight	645.6
123650722	Defined_Atom_Stereo_Count	12
36816	Structure_Complexity	401
23663400	Rotatable_Bond_Count	3
4919	Hydrogen_Bond_Donor_Count	1
535823	Rotatable_Bond_Count	1
88406	Total_Formal_Charge	0
226832	Hydrogen_Bond_Donor_Count	2
92131818	Isotope_Atom_Count	0
72301	Structure_Complexity	475
9831659	Non-hydrogen_Atom_Count	52
516356	Covalent_Unit_Count	1
48011	Tautomer_Count	6
95259	Defined_Bond_Stereo_Count	0
164705778	Molecular_Weight	342.30
82259	Undefined_Bond_Stereo_Count	0
140945	Hydrogen_Bond_Donor_Count	0
7802604	Isotope_Atom_Count	0
67108443	Hydrogen_Bond_Acceptor_Count	3
9912381	Molecular_Weight	466.6
50224	Undefined_Bond_Stereo_Count	0
3462	Total_Formal_Charge	0
498142	Covalent_Unit_Count	4
1470718	TPSA	57.1
25195	Mono_Isotopic_Weight	352.14230712
16219580	Structure_Complexity	151
110789	TPSA	20.2
688015	Total_Formal_Charge	0
903069	Molecular_Weight	286.17
121267708	Covalent_Unit_Count	1
22645860	Undefined_Atom_Stereo_Count	0
12082850	Hydrogen_Bond_Donor_Count	5
13795008	XLogP3-AA	0.6
3081304	Defined_Bond_Stereo_Count	0
8163	Molecular_Weight	170.29
13578	Total_Formal_Charge	0
129652530	Hydrogen_Bond_Acceptor_Count	4
11578	Defined_Bond_Stereo_Count	0
69188	Undefined_Bond_Stereo_Count	0
117659387	Molecular_Weight	110.15
37888454	TPSA	107
9964065	Tautomer_Count	2
13478	Hydrogen_Bond_Acceptor_Count	9
78972	Rotatable_Bond_Count	0
12202794	Mono_Isotopic_Weight	115.063328530
7413	Hydrogen_Bond_Acceptor_Count	2
94179	Tautomer_Count	1
20838642	Mono_Isotopic_Weight	391.0741989
7546	Exact_Mass	185.084063974
750	Undefined_Bond_Stereo_Count	0
140203	Isotope_Atom_Count	0
16738693	Defined_Atom_Stereo_Count	2
179336	Undefined_Bond_Stereo_Count	0
23668479	Exact_Mass	482.11162741
123611	Undefined_Atom_Stereo_Count	1
5760	Undefined_Bond_Stereo_Count	0
10076806	Mono_Isotopic_Weight	573.17228466
95400	Undefined_Atom_Stereo_Count	2
13507601	Hydrogen_Bond_Donor_Count	1
3170	Isotope_Atom_Count	0
26310	Hydrogen_Bond_Donor_Count	0
13900354	Hydrogen_Bond_Acceptor_Count	1
3659	Molecular_Weight	527.5
9973981	Molecular_Weight	331.8
119098022	Isotope_Atom_Count	0
76745	Hydrogen_Bond_Acceptor_Count	9
20055283	Structure_Complexity	1780
87329230	Rotatable_Bond_Count	2
5280795	Defined_Bond_Stereo_Count	2
13316162	Undefined_Atom_Stereo_Count	0
18726556	Exact_Mass	116.047344113
5735	Covalent_Unit_Count	1
22020761	Defined_Bond_Stereo_Count	0
527568	XLogP3-AA	2.5
45789647	Undefined_Atom_Stereo_Count	1
69335094	Molecular_Weight	115.09
10243599	Molecular_Weight	245.28
856	Defined_Bond_Stereo_Count	0
3811100	Tautomer_Count	2
135747	XLogP3-AA	0.3
24183437	Defined_Bond_Stereo_Count	0
9801597	Structure_Complexity	647
18779169	Non-hydrogen_Atom_Count	8
76646	Undefined_Bond_Stereo_Count	0
11094545	Covalent_Unit_Count	1
208902	Defined_Atom_Stereo_Count	1
40473166	Total_Formal_Charge	0
9956324	Undefined_Atom_Stereo_Count	0
514067	TPSA	43.4
31249	Rotatable_Bond_Count	7
54261087	TPSA	40.5
57521	XLogP3-AA	4.3
25271812	Isotope_Atom_Count	0
131982921	Defined_Atom_Stereo_Count	0
23164725	Undefined_Bond_Stereo_Count	0
5326751	Undefined_Atom_Stereo_Count	0
15927	Covalent_Unit_Count	2
123217920	Molecular_Weight	98.10
1216	Hydrogen_Bond_Acceptor_Count	6
11040661	Hydrogen_Bond_Acceptor_Count	2
222697	Non-hydrogen_Atom_Count	8
138106567	Exact_Mass	1322.0938467
5363527	Exact_Mass	226.193280068
440210	Non-hydrogen_Atom_Count	57
7191	Defined_Atom_Stereo_Count	0
182176	TPSA	72.7
11351021	Defined_Bond_Stereo_Count	0
8584	Molecular_Weight	403.5
55299744	XLogP3-AA	1
19127	Defined_Atom_Stereo_Count	0
55423	Defined_Bond_Stereo_Count	0
462382	Structure_Complexity	644
22639586	Isotope_Atom_Count	0
71081	XLogP3-AA	1
68939	Undefined_Bond_Stereo_Count	0
448014	Structure_Complexity	371
26081	Covalent_Unit_Count	1
1022	Mono_Isotopic_Weight	312.137496527
7366	Molecular_Weight	134.22
593843	Hydrogen_Bond_Acceptor_Count	3
9319	Hydrogen_Bond_Donor_Count	0
7158	Undefined_Atom_Stereo_Count	1
447021	XLogP3-AA	2.4
23090352	Defined_Bond_Stereo_Count	0
23687713	Non-hydrogen_Atom_Count	14
68485856	Defined_Atom_Stereo_Count	0
64715	Tautomer_Count	2
85325038	Undefined_Atom_Stereo_Count	2
873450	Non-hydrogen_Atom_Count	23
11197	Non-hydrogen_Atom_Count	26
6595	Tautomer_Count	2
6451149	Rotatable_Bond_Count	5
7131	Isotope_Atom_Count	0
70385	Isotope_Atom_Count	0
14815775	Covalent_Unit_Count	1
91899080	Non-hydrogen_Atom_Count	16
5360487	Defined_Bond_Stereo_Count	0
63033	Molecular_Weight	499.0
57713	Rotatable_Bond_Count	13
1549097	Tautomer_Count	1
69280558	Mono_Isotopic_Weight	115.038176411
71308614	Hydrogen_Bond_Donor_Count	11
46848036	Undefined_Atom_Stereo_Count	0
41206	Defined_Bond_Stereo_Count	0
14939066	Defined_Atom_Stereo_Count	0
20265292	TPSA	40.5
71713948	TPSA	101
24721103	Undefined_Atom_Stereo_Count	2
25019176	Hydrogen_Bond_Donor_Count	6
80507	Mono_Isotopic_Weight	104.047344113
5288606	Molecular_Weight	259.09
22491624	Exact_Mass	111.01427034
89759530	Non-hydrogen_Atom_Count	8
91666359	Total_Formal_Charge	0
68837	Isotope_Atom_Count	0
80168	Undefined_Atom_Stereo_Count	0
11396600	Covalent_Unit_Count	1
124762103	Exact_Mass	342.11621151
413728	Undefined_Bond_Stereo_Count	0
9543528	TPSA	36.3
5371562	Isotope_Atom_Count	0
9841259	Molecular_Weight	348.5
71987	Defined_Bond_Stereo_Count	0
77971	Rotatable_Bond_Count	2
15062870	Hydrogen_Bond_Acceptor_Count	2
88114173	Total_Formal_Charge	0
694647	Exact_Mass	246.06269769
12367843	Mono_Isotopic_Weight	108.093900383
67636	TPSA	62.8
6973643	Hydrogen_Bond_Acceptor_Count	1
524670	Hydrogen_Bond_Acceptor_Count	0
16722126	Defined_Bond_Stereo_Count	0
413547	Rotatable_Bond_Count	5
637552	TPSA	45.6
61833	Tautomer_Count	1
49862627	Covalent_Unit_Count	1
1645	Hydrogen_Bond_Donor_Count	2
68600	Undefined_Bond_Stereo_Count	0
15148131	Molecular_Weight	272.73
9965424	Rotatable_Bond_Count	3
87110828	Mono_Isotopic_Weight	688.34721450
5311052	Molecular_Weight	410.9
132035918	Undefined_Atom_Stereo_Count	0
11412346	Molecular_Weight	97.16
92824	Molecular_Weight	134.09
220401	Undefined_Atom_Stereo_Count	0
43962	TPSA	25.8
57707	Mono_Isotopic_Weight	305.0949343
71141	TPSA	279
123200332	Defined_Atom_Stereo_Count	0
72277	Isotope_Atom_Count	0
87527569	Hydrogen_Bond_Donor_Count	3
6918496	Hydrogen_Bond_Acceptor_Count	3
11182575	Molecular_Weight	98.14
4428	TPSA	70
688938	Hydrogen_Bond_Donor_Count	0
21470	Structure_Complexity	1120
11455910	XLogP3-AA	7.8
5367650	Total_Formal_Charge	0
91773	Covalent_Unit_Count	1
541661	XLogP3-AA	1.1
9578507	TPSA	155
98468	Isotope_Atom_Count	0
22313123	Total_Formal_Charge	0
441332	Mono_Isotopic_Weight	368.25627424
4921	Tautomer_Count	2
19077501	Molecular_Weight	390.8
17756794	Covalent_Unit_Count	2
7085	Non-hydrogen_Atom_Count	21
2723770	Rotatable_Bond_Count	0
65576866	Rotatable_Bond_Count	1
18016	Isotope_Atom_Count	0
9963430	Defined_Bond_Stereo_Count	0
137747	Exact_Mass	52.0313001276
23160059	Tautomer_Count	1
95010	Covalent_Unit_Count	1
8837	Exact_Mass	346.23553880
7372	Structure_Complexity	104
6540	TPSA	72.4
650960	Non-hydrogen_Atom_Count	34
53670643	Defined_Bond_Stereo_Count	0
19731	Non-hydrogen_Atom_Count	45
5283078	Undefined_Bond_Stereo_Count	0
11731	Hydrogen_Bond_Donor_Count	1
8571	Defined_Atom_Stereo_Count	0
5889665	Total_Formal_Charge	0
71072040	TPSA	53
54581630	Isotope_Atom_Count	0
208921	Total_Formal_Charge	0
90272	Molecular_Weight	262.69
16005120	Molecular_Weight	93.13
53846421	Non-hydrogen_Atom_Count	30
6950353	Covalent_Unit_Count	1
742	Isotope_Atom_Count	0
85624637	Molecular_Weight	102.13
18329111	Undefined_Atom_Stereo_Count	0
13157914	Molecular_Weight	120.15
71517698	TPSA	125
6439420	Exact_Mass	428.14396435
65410	Undefined_Bond_Stereo_Count	0
7048634	Rotatable_Bond_Count	6
8759	Exact_Mass	336.05455397
66813453	Undefined_Bond_Stereo_Count	0
47714	Isotope_Atom_Count	0
3083544	Defined_Atom_Stereo_Count	2
2900	Total_Formal_Charge	0
54413601	Hydrogen_Bond_Donor_Count	0
705672	Total_Formal_Charge	0
123676075	Rotatable_Bond_Count	1
14325610	Structure_Complexity	40.7
3085168	Defined_Atom_Stereo_Count	0
101684738	Covalent_Unit_Count	1
799432	Molecular_Weight	283.77
71346	Exact_Mass	454.17737247
12601908	Undefined_Atom_Stereo_Count	0
1815	Molecular_Weight	417.28
8878	Structure_Complexity	130
62130	Covalent_Unit_Count	2
165363357	Molecular_Weight	1047.2
22650	XLogP3	4.1
16050931	Isotope_Atom_Count	0
445455	Undefined_Atom_Stereo_Count	0
39929	Mono_Isotopic_Weight	303.901626
103984	Tautomer_Count	1
12869982	Hydrogen_Bond_Acceptor_Count	1
7472	Rotatable_Bond_Count	1
76223467	Non-hydrogen_Atom_Count	6
2527	Molecular_Weight	233.26
6441265	Mono_Isotopic_Weight	951.53172079
70498808	Defined_Bond_Stereo_Count	0
71462389	Total_Formal_Charge	0
45408	Isotope_Atom_Count	0
131801471	Molecular_Weight	7127
13018409	Undefined_Atom_Stereo_Count	0
139061104	Hydrogen_Bond_Donor_Count	10
18805	Isotope_Atom_Count	0
150748	Hydrogen_Bond_Donor_Count	0
119054	Undefined_Atom_Stereo_Count	0
164106781	TPSA	101
4062	Mono_Isotopic_Weight	246.173213330
9935526	Covalent_Unit_Count	1
13684981	Defined_Atom_Stereo_Count	0
96859	Undefined_Bond_Stereo_Count	0
143403310	Covalent_Unit_Count	1
102004571	Structure_Complexity	914
53151	Molecular_Weight	120.11
75705	Undefined_Bond_Stereo_Count	0
3058	Defined_Bond_Stereo_Count	0
131839562	XLogP3-AA	3.4
16217359	Isotope_Atom_Count	4
9971	TPSA	63.3
5777	Hydrogen_Bond_Donor_Count	0
14416018	Non-hydrogen_Atom_Count	7
134393564	Rotatable_Bond_Count	2
702695	Undefined_Bond_Stereo_Count	0
24750	Tautomer_Count	1
16989	Total_Formal_Charge	0
5320	Defined_Bond_Stereo_Count	0
620080	Molecular_Weight	91.11
90708518	Defined_Bond_Stereo_Count	0
135445750	Isotope_Atom_Count	0
45026	Isotope_Atom_Count	0
915	Non-hydrogen_Atom_Count	20
153380590	Mono_Isotopic_Weight	115.099714038
75040	Hydrogen_Bond_Acceptor_Count	1
48956	Total_Formal_Charge	0
5708	Molecular_Weight	314.1
5742590	Undefined_Bond_Stereo_Count	0
25181472	Undefined_Bond_Stereo_Count	0
429819	Undefined_Atom_Stereo_Count	0
60825	Total_Formal_Charge	0
38963	Hydrogen_Bond_Donor_Count	2
98053103	Defined_Atom_Stereo_Count	3
10953432	XLogP3-AA	0.6
6602383	Undefined_Bond_Stereo_Count	0
15007	Exact_Mass	250.15689456
90757603	Structure_Complexity	102
77016	Hydrogen_Bond_Acceptor_Count	4
5320868	Mono_Isotopic_Weight	324.183778013
124226575	Undefined_Atom_Stereo_Count	0
6337	Undefined_Atom_Stereo_Count	0
24012	Isotope_Atom_Count	0
448002	Hydrogen_Bond_Donor_Count	2
13520	Mono_Isotopic_Weight	210.0515378
11586912	TPSA	114
4932	Non-hydrogen_Atom_Count	25
13521834	Hydrogen_Bond_Acceptor_Count	1
50094	TPSA	0
86882	Hydrogen_Bond_Acceptor_Count	2
14720269	Tautomer_Count	1
70297	Total_Formal_Charge	0
62995	Hydrogen_Bond_Acceptor_Count	7
2645	Mono_Isotopic_Weight	557.12501980
208954	Defined_Atom_Stereo_Count	0
8078	Exact_Mass	84.093900383
115011062	Undefined_Atom_Stereo_Count	0
2723719	Exact_Mass	665.30474055
14805639	Total_Formal_Charge	0
64350	Covalent_Unit_Count	2
9915743	Defined_Bond_Stereo_Count	1
15940949	Molecular_Weight	495.6
3254	Total_Formal_Charge	0
54889	Defined_Atom_Stereo_Count	3
824336	Rotatable_Bond_Count	5
444302	Molecular_Weight	299.43
73277	Hydrogen_Bond_Acceptor_Count	2
33400	Total_Formal_Charge	0
4659392	Rotatable_Bond_Count	8
46078	Covalent_Unit_Count	1
71434160	Undefined_Atom_Stereo_Count	5
15260	Total_Formal_Charge	0
9823887	Molecular_Weight	428.4
44419235	Mono_Isotopic_Weight	341.11979803
5311341	Non-hydrogen_Atom_Count	35
9795434	XLogP3-AA	2.2
57341	XLogP3-AA	4.8
13531445	Hydrogen_Bond_Acceptor_Count	2
91411367	Defined_Atom_Stereo_Count	0
55011	Covalent_Unit_Count	1
12183049	Exact_Mass	108.093900383
23684571	Hydrogen_Bond_Acceptor_Count	4
54676840	Hydrogen_Bond_Acceptor_Count	4
25114553	Defined_Bond_Stereo_Count	0
137151	Mono_Isotopic_Weight	96.057514874
9818540	Tautomer_Count	3
90703052	Undefined_Atom_Stereo_Count	0
9942131	Non-hydrogen_Atom_Count	8
5340	Isotope_Atom_Count	0
69253625	Structure_Complexity	86.5
43102	Mono_Isotopic_Weight	260.188863393
1549080	Total_Formal_Charge	0
220861	Mono_Isotopic_Weight	710.35135639
6570	Molecular_Weight	70.09
13593931	Defined_Bond_Stereo_Count	0
16212969	Rotatable_Bond_Count	2
10131842	Exact_Mass	336.13615911
91505	Undefined_Atom_Stereo_Count	1
4626972	Isotope_Atom_Count	0
70685495	Structure_Complexity	1220
55289700	Molecular_Weight	114.15
10194504	Defined_Atom_Stereo_Count	1
22020874	Hydrogen_Bond_Donor_Count	0
22611874	Total_Formal_Charge	0
130515614	Molecular_Weight	110.15
15661697	Molecular_Weight	114.10
735091	Defined_Bond_Stereo_Count	0
123885601	TPSA	46.2
15864840	Isotope_Atom_Count	0
56857	Undefined_Atom_Stereo_Count	0
12545984	TPSA	21.3
9861124	Exact_Mass	299.0279976
19951	Covalent_Unit_Count	1
662452	Exact_Mass	448.21442669
3970	Covalent_Unit_Count	1
20949	Defined_Atom_Stereo_Count	0
21498	Structure_Complexity	116
1516	Isotope_Atom_Count	0
439243	Covalent_Unit_Count	7
53846420	Defined_Atom_Stereo_Count	6
41377	Hydrogen_Bond_Acceptor_Count	1
10554	Mono_Isotopic_Weight	92.0392780
77311	Mono_Isotopic_Weight	126.9955546
24066917	Exact_Mass	223.157228913
3980	Undefined_Atom_Stereo_Count	10
44284481	Defined_Atom_Stereo_Count	23
48011	Rotatable_Bond_Count	12
69	Total_Formal_Charge	0
130918	Isotope_Atom_Count	0
13198341	Exact_Mass	120.078644241
81056	Exact_Mass	152.0141259
938021	Covalent_Unit_Count	1
11985	Total_Formal_Charge	0
45040472	Defined_Bond_Stereo_Count	0
65802	XLogP3-AA	1
444254	TPSA	321
15313	Molecular_Weight	185.06
107697	Undefined_Bond_Stereo_Count	0
71310692	Covalent_Unit_Count	1
72048	Total_Formal_Charge	0
157692	Hydrogen_Bond_Donor_Count	2
10774245	Undefined_Bond_Stereo_Count	0
42239	Covalent_Unit_Count	1
16132954	Hydrogen_Bond_Acceptor_Count	22
133562634	Undefined_Atom_Stereo_Count	0
21883050	Undefined_Atom_Stereo_Count	0
138860	XLogP3-AA	1.6
80092	Isotope_Atom_Count	0
18924614	Total_Formal_Charge	0
2762892	Defined_Bond_Stereo_Count	0
19420003	Covalent_Unit_Count	1
90998196	Non-hydrogen_Atom_Count	7
11708045	Defined_Bond_Stereo_Count	0
57191557	Hydrogen_Bond_Acceptor_Count	2
12532405	Rotatable_Bond_Count	0
97616695	Undefined_Atom_Stereo_Count	0
177708	Covalent_Unit_Count	1
86566	Mono_Isotopic_Weight	282.328651340
6235	Covalent_Unit_Count	1
3121	Rotatable_Bond_Count	5
5702098	Undefined_Bond_Stereo_Count	0
56746	Hydrogen_Bond_Acceptor_Count	4
155346	Hydrogen_Bond_Acceptor_Count	4
107280	Hydrogen_Bond_Donor_Count	0
5281612	Defined_Atom_Stereo_Count	0
5323606	Molecular_Weight	96.13
27914	Molecular_Weight	196.04
59122	Structure_Complexity	863
25137678	Defined_Atom_Stereo_Count	3
123976	XLogP3-AA	7.1
39859	Structure_Complexity	309
180098	Hydrogen_Bond_Donor_Count	3
58463204	Isotope_Atom_Count	0
43834223	Hydrogen_Bond_Donor_Count	2
7914	Hydrogen_Bond_Donor_Count	0
55298701	Hydrogen_Bond_Acceptor_Count	2
4171	Undefined_Bond_Stereo_Count	0
2762892	Structure_Complexity	74.9
210739	Exact_Mass	251.13438547
24900937	Hydrogen_Bond_Donor_Count	4
9868452	Defined_Atom_Stereo_Count	2
3486729	Isotope_Atom_Count	0
97865	Non-hydrogen_Atom_Count	26
55790	TPSA	34.5
146159143	Covalent_Unit_Count	1
71578106	Hydrogen_Bond_Acceptor_Count	9
441082	Hydrogen_Bond_Donor_Count	0
10784	Undefined_Bond_Stereo_Count	0
447634	Undefined_Atom_Stereo_Count	0
7025	Hydrogen_Bond_Acceptor_Count	4
5283387	Exact_Mass	281.271864740
135410917	Molecular_Weight	274.75
131700865	Non-hydrogen_Atom_Count	37
139852	Mono_Isotopic_Weight	93.057849228
12730529	Mono_Isotopic_Weight	156.078644241
135554441	Defined_Atom_Stereo_Count	3
35802	Undefined_Bond_Stereo_Count	0
56857	Defined_Atom_Stereo_Count	0
23939	Rotatable_Bond_Count	0
851992	Isotope_Atom_Count	0
447377	Total_Formal_Charge	0
16073659	Hydrogen_Bond_Donor_Count	0
54601151	Total_Formal_Charge	0
22856734	Hydrogen_Bond_Donor_Count	1
2798315	Exact_Mass	284.02893460
30295	TPSA	32.7
296197	Molecular_Weight	292.33
77051	Exact_Mass	190.062994177
66133	Hydrogen_Bond_Donor_Count	0
49243	Molecular_Weight	286.39
96821	Non-hydrogen_Atom_Count	12
6327846	Covalent_Unit_Count	2
32575	Non-hydrogen_Atom_Count	21
17163	XLogP3-AA	5.4
9229	Total_Formal_Charge	0
2545	Hydrogen_Bond_Acceptor_Count	4
6059187	Hydrogen_Bond_Acceptor_Count	3
25849	Rotatable_Bond_Count	5
146159143	Undefined_Bond_Stereo_Count	1
105084	TPSA	24.9
143500	XLogP3-AA	0.7
122214398	Covalent_Unit_Count	1
24961094	Exact_Mass	576.2270111
264990	Undefined_Bond_Stereo_Count	0
53299334	Structure_Complexity	520
153989152	Undefined_Atom_Stereo_Count	0
23983765	Structure_Complexity	191
91315907	Undefined_Atom_Stereo_Count	0
60285	Total_Formal_Charge	0
22024864	Structure_Complexity	97.1
7204	Undefined_Bond_Stereo_Count	0
15980838	Total_Formal_Charge	0
543038	TPSA	26.3
635186	Hydrogen_Bond_Donor_Count	1
167305	Total_Formal_Charge	0
21324831	XLogP3-AA	1.1
9892122	Hydrogen_Bond_Acceptor_Count	9
76658	Isotope_Atom_Count	0
21093784	Structure_Complexity	577
5414	Mono_Isotopic_Weight	306.24062418
23158703	Isotope_Atom_Count	0
118163156	XLogP3-AA	5.9
101821629	Mono_Isotopic_Weight	127.964803
100925187	Isotope_Atom_Count	0
7647	Hydrogen_Bond_Donor_Count	0
842	Molecular_Weight	250.27
89226742	Hydrogen_Bond_Acceptor_Count	2
535	Undefined_Atom_Stereo_Count	0
57392610	Total_Formal_Charge	0
72886	Structure_Complexity	214
13577	Hydrogen_Bond_Acceptor_Count	1
148139	Defined_Atom_Stereo_Count	0
6419965	Tautomer_Count	3
34794	Hydrogen_Bond_Acceptor_Count	2
70647795	Exact_Mass	112.088815002
89578803	XLogP3-AA	1.5
132327702	Undefined_Bond_Stereo_Count	0
90657669	Undefined_Atom_Stereo_Count	0
311434	Undefined_Bond_Stereo_Count	0
85805628	XLogP3-AA	1.6
12161	TPSA	0
674	Exact_Mass	45.057849228
88267	Rotatable_Bond_Count	2
85653	TPSA	52.6
135506152	Undefined_Atom_Stereo_Count	0
6080476	Defined_Bond_Stereo_Count	4
86240135	Rotatable_Bond_Count	1
13924394	Mono_Isotopic_Weight	112.052429494
5184	Tautomer_Count	1
6994	Mono_Isotopic_Weight	122.073164938
92444	Tautomer_Count	1
5252324	TPSA	6.5
3035451	TPSA	124
108381	Hydrogen_Bond_Acceptor_Count	8
6442	Defined_Atom_Stereo_Count	0
23642275	Molecular_Weight	283.4
23533634	Total_Formal_Charge	0
30214	TPSA	26
71648	Undefined_Atom_Stereo_Count	0
435	Hydrogen_Bond_Donor_Count	1
133562785	Rotatable_Bond_Count	19
15690	Isotope_Atom_Count	0
27581	Covalent_Unit_Count	1
130128865	Defined_Bond_Stereo_Count	0
10375	Isotope_Atom_Count	0
451674	Rotatable_Bond_Count	4
85867	Molecular_Weight	308.42
117791208	Structure_Complexity	57.7
24123450	Covalent_Unit_Count	1
57656232	Non-hydrogen_Atom_Count	7
106	Non-hydrogen_Atom_Count	11
17900281	Rotatable_Bond_Count	2
44925	XLogP3-AA	4
74802	Undefined_Bond_Stereo_Count	0
54288820	Molecular_Weight	118.13
34624	XLogP3-AA	3.1
716315	Structure_Complexity	187
7099	Defined_Bond_Stereo_Count	0
137699165	XLogP3-AA	4.3
25982	Undefined_Atom_Stereo_Count	2
10342	Undefined_Bond_Stereo_Count	0
17857	Mono_Isotopic_Weight	170.178298710
3354	Non-hydrogen_Atom_Count	29
10451635	Rotatable_Bond_Count	1
3058839	Hydrogen_Bond_Acceptor_Count	3
29732	Structure_Complexity	462
11234350	Hydrogen_Bond_Acceptor_Count	6
28264	Non-hydrogen_Atom_Count	8
162636	Defined_Bond_Stereo_Count	0
7473	Structure_Complexity	122
18378000	Rotatable_Bond_Count	0
71541293	Exact_Mass	245.141578849
6537431	Hydrogen_Bond_Donor_Count	3
4308	TPSA	75.6
159627	Exact_Mass	279.98876
14552708	Defined_Atom_Stereo_Count	0
70687322	Total_Formal_Charge	0
59227	Exact_Mass	315.16568559
11282394	Covalent_Unit_Count	1
115157	Rotatable_Bond_Count	22
2734680	Undefined_Bond_Stereo_Count	0
12578535	Defined_Bond_Stereo_Count	0
8191	Undefined_Bond_Stereo_Count	0
56658438	Hydrogen_Bond_Donor_Count	2
6328	Mono_Isotopic_Weight	141.92795
5709	Total_Formal_Charge	0
92979	Undefined_Atom_Stereo_Count	0
13415148	TPSA	61.4
6538999	Mono_Isotopic_Weight	485.1385304
67299	Exact_Mass	177.9588348
23665763	Mono_Isotopic_Weight	103.95440935
10622871	Defined_Atom_Stereo_Count	1
39911	Mono_Isotopic_Weight	337.18892296
2734233	Isotope_Atom_Count	0
740	Non-hydrogen_Atom_Count	16
12749134	Mono_Isotopic_Weight	115.063328530
160602	Defined_Atom_Stereo_Count	0
20056978	Defined_Atom_Stereo_Count	2
70912	Molecular_Weight	173.21
529031	Undefined_Bond_Stereo_Count	0
57625	Undefined_Bond_Stereo_Count	0
89445694	XLogP3-AA	0.4
5744	Undefined_Atom_Stereo_Count	0
6757	Covalent_Unit_Count	1
66714960	Undefined_Atom_Stereo_Count	0
5284506	Hydrogen_Bond_Donor_Count	0
16526	Exact_Mass	146.01499861
8621	Exact_Mass	189.9952203
5392139	Non-hydrogen_Atom_Count	15
57827330	Exact_Mass	437.11333049
164094748	Non-hydrogen_Atom_Count	8
135398670	Hydrogen_Bond_Acceptor_Count	5
6301	Defined_Bond_Stereo_Count	0
69264	Defined_Bond_Stereo_Count	0
139465606	Undefined_Atom_Stereo_Count	0
11501341	Covalent_Unit_Count	1
899	Undefined_Atom_Stereo_Count	5
54102072	Molecular_Weight	106.13
520168	Defined_Bond_Stereo_Count	0
86278165	Isotope_Atom_Count	0
72196309	Undefined_Atom_Stereo_Count	1
11080	Hydrogen_Bond_Acceptor_Count	2
31016	Defined_Bond_Stereo_Count	0
8927	Defined_Atom_Stereo_Count	0
2825062	Non-hydrogen_Atom_Count	41
2724640	Undefined_Atom_Stereo_Count	0
23187765	Covalent_Unit_Count	1
40376	Tautomer_Count	1
18915596	TPSA	26
5311096	Total_Formal_Charge	0
82400	Defined_Atom_Stereo_Count	5
702695	Undefined_Atom_Stereo_Count	0
62334	Isotope_Atom_Count	0
45120438	Isotope_Atom_Count	0
156419	Structure_Complexity	422
5281227	Hydrogen_Bond_Acceptor_Count	2
9223	Molecular_Weight	118.13
25215	Exact_Mass	288.1029409
16084	Hydrogen_Bond_Donor_Count	3
466	Exact_Mass	260.02971899
44576048	Isotope_Atom_Count	0
49862689	Defined_Bond_Stereo_Count	0
3045225	Mono_Isotopic_Weight	243.137162174
139202519	Molecular_Weight	426.3
19864017	Tautomer_Count	3
213145	Undefined_Atom_Stereo_Count	0
10148984	Undefined_Bond_Stereo_Count	0
135565106	Total_Formal_Charge	0
5359967	Hydrogen_Bond_Donor_Count	0
129027658	Hydrogen_Bond_Acceptor_Count	1
41893	Undefined_Bond_Stereo_Count	0
186148	Rotatable_Bond_Count	0
139920	Exact_Mass	116.120115130
57992081	Rotatable_Bond_Count	5
12213229	Hydrogen_Bond_Acceptor_Count	4
405908	Hydrogen_Bond_Donor_Count	2
124249048	Mono_Isotopic_Weight	107.073499291
6538981	Mono_Isotopic_Weight	486.1337794
53316393	Mono_Isotopic_Weight	344.11723519
6335986	Hydrogen_Bond_Acceptor_Count	11
14013	Isotope_Atom_Count	0
91168430	TPSA	38.6
54886	Hydrogen_Bond_Donor_Count	0
23379007	Total_Formal_Charge	0
25913	TPSA	0
55910	Hydrogen_Bond_Donor_Count	2
25138298	Hydrogen_Bond_Donor_Count	18
9821174	Rotatable_Bond_Count	4
6450830	Undefined_Bond_Stereo_Count	0
16157	Defined_Bond_Stereo_Count	0
9855453	Isotope_Atom_Count	0
95209	Molecular_Weight	181.26
8053	Structure_Complexity	63.4
108835	Defined_Atom_Stereo_Count	0
2723810	Hydrogen_Bond_Acceptor_Count	2
4712993	Defined_Atom_Stereo_Count	0
5364714	XLogP3-AA	5.9
136183446	Undefined_Bond_Stereo_Count	0
332226	Undefined_Atom_Stereo_Count	0
9956222	Exact_Mass	467.17058756
184495	Tautomer_Count	3
3237289	Undefined_Bond_Stereo_Count	0
21952893	TPSA	1
12514	Non-hydrogen_Atom_Count	7
36933	TPSA	24.9
2734231	Rotatable_Bond_Count	15
210739	Rotatable_Bond_Count	2
623849	Exact_Mass	290.130679813
58478000	Defined_Atom_Stereo_Count	0
2634	Exact_Mass	544.99158054
79117667	Hydrogen_Bond_Acceptor_Count	3
37511	Mono_Isotopic_Weight	103.099714038
21932803	Defined_Atom_Stereo_Count	0
138986956	Undefined_Atom_Stereo_Count	0
55399	Mono_Isotopic_Weight	622.34788321
16719897	Undefined_Atom_Stereo_Count	0
75171	Mono_Isotopic_Weight	146.141913202
1358	Mono_Isotopic_Weight	687.39556167
90165975	Structure_Complexity	382
24819	Rotatable_Bond_Count	0
8377	Undefined_Bond_Stereo_Count	0
1277665	Molecular_Weight	99.13
51340308	Defined_Atom_Stereo_Count	0
44308032	Covalent_Unit_Count	1
6917754	Covalent_Unit_Count	2
70681	Tautomer_Count	1
85500	Non-hydrogen_Atom_Count	26
117072551	Structure_Complexity	854
19367743	Hydrogen_Bond_Donor_Count	1
965784	Hydrogen_Bond_Acceptor_Count	3
97113	Hydrogen_Bond_Acceptor_Count	3
2783176	Mono_Isotopic_Weight	115.02335542
441345	Mono_Isotopic_Weight	427.1550360
454216	Defined_Atom_Stereo_Count	6
60096125	Exact_Mass	113.047678466
14742703	Exact_Mass	349.16779360
3781988	Rotatable_Bond_Count	6
11993	Rotatable_Bond_Count	0
12599600	Covalent_Unit_Count	1
134692450	Exact_Mass	580.15345715
12441297	TPSA	25.8
9863827	Structure_Complexity	645
11698194	XLogP3-AA	6.2
5364712	Exact_Mass	212.214015512
2199	Non-hydrogen_Atom_Count	19
146682529	Undefined_Atom_Stereo_Count	0
68535	Non-hydrogen_Atom_Count	6
11808	Non-hydrogen_Atom_Count	14
15269993	Isotope_Atom_Count	0
4830	Hydrogen_Bond_Donor_Count	1
16426	Hydrogen_Bond_Donor_Count	1
13271066	Hydrogen_Bond_Acceptor_Count	7
9942725	Mono_Isotopic_Weight	232.10233402
46937007	Rotatable_Bond_Count	6
21715653	Undefined_Bond_Stereo_Count	0
20710	Molecular_Weight	305.4
687	Hydrogen_Bond_Donor_Count	5
12977	TPSA	38.7
41124	Exact_Mass	140.120115130
44430376	Exact_Mass	273.04373590
9687	Non-hydrogen_Atom_Count	32
45488106	Mono_Isotopic_Weight	445.11618739
4331	TPSA	130
5463	Mono_Isotopic_Weight	322.05660244
6975	Covalent_Unit_Count	1
53319118	Isotope_Atom_Count	0
433956	Rotatable_Bond_Count	3
1358	Total_Formal_Charge	0
160139	Defined_Atom_Stereo_Count	3
49831162	Total_Formal_Charge	0
57396593	Structure_Complexity	625
62881	Exact_Mass	656.34147767
44306490	Undefined_Atom_Stereo_Count	0
13466096	Mono_Isotopic_Weight	210.068079557
46882191	Exact_Mass	420.22737416
23622607	Molecular_Weight	503.6
15413224	Defined_Atom_Stereo_Count	0
70339927	Non-hydrogen_Atom_Count	6
30295	Rotatable_Bond_Count	9
3923	Hydrogen_Bond_Donor_Count	2
190291	Undefined_Atom_Stereo_Count	0
91726	Molecular_Weight	232.23
69862751	Undefined_Bond_Stereo_Count	0
6346	TPSA	0
11263492	Defined_Bond_Stereo_Count	0
21581715	Undefined_Bond_Stereo_Count	0
484	Rotatable_Bond_Count	0
10267079	Total_Formal_Charge	0
11147674	Undefined_Bond_Stereo_Count	0
13531445	Undefined_Bond_Stereo_Count	0
472812	Exact_Mass	243.0523023
445639	Defined_Atom_Stereo_Count	0
2766	Hydrogen_Bond_Donor_Count	2
91864465	Defined_Atom_Stereo_Count	4
7160	Defined_Atom_Stereo_Count	0
12623598	XLogP3-AA	0.4
77430	Covalent_Unit_Count	1
135854412	Covalent_Unit_Count	1
5489013	Mono_Isotopic_Weight	313.16779360
11073371	Exact_Mass	110.073164938
12642	Total_Formal_Charge	0
85588	Hydrogen_Bond_Donor_Count	0
86566	Covalent_Unit_Count	1
58481202	Molecular_Weight	342.30
76970981	Rotatable_Bond_Count	6
22459	Non-hydrogen_Atom_Count	6
5378825	XLogP3	1.7
16590	Isotope_Atom_Count	0
101535535	Hydrogen_Bond_Donor_Count	1
87280891	Isotope_Atom_Count	0
55212037	Undefined_Bond_Stereo_Count	0
143321	Non-hydrogen_Atom_Count	8
6891	Non-hydrogen_Atom_Count	13
9949848	Total_Formal_Charge	0
9960287	Covalent_Unit_Count	2
99824	Non-hydrogen_Atom_Count	9
79693	Undefined_Bond_Stereo_Count	0
129816	Undefined_Bond_Stereo_Count	0
12896295	Defined_Bond_Stereo_Count	0
296464	Rotatable_Bond_Count	3
24208	XLogP3-AA	3.5
158524	Hydrogen_Bond_Donor_Count	0
51256	Non-hydrogen_Atom_Count	21
19428628	Isotope_Atom_Count	0
10005402	Undefined_Bond_Stereo_Count	0
24875236	Isotope_Atom_Count	0
92272	Non-hydrogen_Atom_Count	16
6426740	Covalent_Unit_Count	1
5357155	Isotope_Atom_Count	0
9576412	Total_Formal_Charge	0
123754760	Molecular_Weight	110.20
73167270	Exact_Mass	113.084063974
11137142	Isotope_Atom_Count	0
22944534	Hydrogen_Bond_Donor_Count	0
12475877	Undefined_Bond_Stereo_Count	0
155882889	Undefined_Bond_Stereo_Count	0
62380	Defined_Atom_Stereo_Count	0
154225133	Mono_Isotopic_Weight	115.026943022
4117	XLogP3	2.6
135398599	Isotope_Atom_Count	0
186094	Defined_Atom_Stereo_Count	0
529389	Defined_Bond_Stereo_Count	0
21958	Non-hydrogen_Atom_Count	7
285366	Hydrogen_Bond_Acceptor_Count	2
135457035	Hydrogen_Bond_Donor_Count	2
162501	Rotatable_Bond_Count	4
10384745	XLogP3-AA	1
5208	Total_Formal_Charge	0
69110	Rotatable_Bond_Count	1
15567528	Mono_Isotopic_Weight	112.063662883
6918543	Total_Formal_Charge	0
21490219	Mono_Isotopic_Weight	101.084063974
826479	Mono_Isotopic_Weight	236.08441558
5477380	Hydrogen_Bond_Acceptor_Count	7
66811197	Covalent_Unit_Count	1
21680715	Undefined_Bond_Stereo_Count	0
25086585	Undefined_Bond_Stereo_Count	0
22386601	Undefined_Bond_Stereo_Count	0
10148984	Defined_Atom_Stereo_Count	0
20811482	Exact_Mass	97.052763847
97226	Rotatable_Bond_Count	1
63075	Hydrogen_Bond_Acceptor_Count	0
130122746	Non-hydrogen_Atom_Count	8
3037798	Undefined_Bond_Stereo_Count	0
534094	XLogP3-AA	1
23897	Structure_Complexity	354
129628202	Hydrogen_Bond_Acceptor_Count	25
12661198	TPSA	25.1
62884	Non-hydrogen_Atom_Count	17
21916	Non-hydrogen_Atom_Count	23
252325	Structure_Complexity	86.2
70693117	Undefined_Atom_Stereo_Count	0
8906	Total_Formal_Charge	0
56846351	Rotatable_Bond_Count	4
53846419	Non-hydrogen_Atom_Count	30
91573287	Undefined_Atom_Stereo_Count	0
84759	Molecular_Weight	145.16
475	Non-hydrogen_Atom_Count	15
80293	Undefined_Atom_Stereo_Count	0
25246274	Isotope_Atom_Count	0
6982	Defined_Bond_Stereo_Count	0
56962215	Defined_Bond_Stereo_Count	0
190291	Defined_Atom_Stereo_Count	0
13348005	Covalent_Unit_Count	1
20055404	Defined_Bond_Stereo_Count	0
16490	Defined_Atom_Stereo_Count	9
63954	Rotatable_Bond_Count	2
74062	Mono_Isotopic_Weight	255.98876
54584775	Non-hydrogen_Atom_Count	21
155713	TPSA	57.6
25042	Isotope_Atom_Count	0
68110	Structure_Complexity	165
20387208	Undefined_Atom_Stereo_Count	2
53364498	Defined_Bond_Stereo_Count	0
67691	Total_Formal_Charge	0
41114	Isotope_Atom_Count	0
19789137	Mono_Isotopic_Weight	144.115029749
12317358	Structure_Complexity	152
83478501	Exact_Mass	101.084063974
167451	Rotatable_Bond_Count	5
3988	Tautomer_Count	2
68647	TPSA	39.8
5280570	Undefined_Bond_Stereo_Count	0
211468	Total_Formal_Charge	0
53320169	Non-hydrogen_Atom_Count	31
20836217	Hydrogen_Bond_Donor_Count	0
6451148	Hydrogen_Bond_Donor_Count	0
2224	Defined_Bond_Stereo_Count	0
20561716	TPSA	47.8
129849349	Covalent_Unit_Count	1
20767638	Hydrogen_Bond_Acceptor_Count	1
521459	Non-hydrogen_Atom_Count	4
821217	Covalent_Unit_Count	1
398747	Defined_Atom_Stereo_Count	2
171970	Tautomer_Count	2
129652530	Non-hydrogen_Atom_Count	25
119058385	Non-hydrogen_Atom_Count	28
11903	Defined_Bond_Stereo_Count	0
8948	Mono_Isotopic_Weight	139.945464
23674739	Undefined_Bond_Stereo_Count	0
32719	TPSA	12.4
12298558	Non-hydrogen_Atom_Count	8
21225236	Mono_Isotopic_Weight	99.032028402
145720674	Hydrogen_Bond_Acceptor_Count	20
122214878	Undefined_Bond_Stereo_Count	0
33344	Structure_Complexity	156
12563	Defined_Atom_Stereo_Count	0
5459765	Rotatable_Bond_Count	0
547686	Undefined_Bond_Stereo_Count	0
56677275	TPSA	100
786	Non-hydrogen_Atom_Count	15
15427	Exact_Mass	159.104799419
10784	Defined_Atom_Stereo_Count	0
92163	Total_Formal_Charge	0
213043	Undefined_Atom_Stereo_Count	1
8348	Hydrogen_Bond_Acceptor_Count	2
95198	Structure_Complexity	212
827453	Exact_Mass	324.0083890
5494414	Isotope_Atom_Count	0
2742181	Isotope_Atom_Count	0
6334	Hydrogen_Bond_Donor_Count	0
68182	Mono_Isotopic_Weight	128.04489933
36870	Mono_Isotopic_Weight	343.9628144
14238	Defined_Bond_Stereo_Count	0
545268	TPSA	12.5
69968	Isotope_Atom_Count	0
2723719	Non-hydrogen_Atom_Count	47
1080	Rotatable_Bond_Count	5
4420	Hydrogen_Bond_Acceptor_Count	4
15926139	XLogP3-AA	1.1
7540	Rotatable_Bond_Count	6
5486198	Covalent_Unit_Count	1
71221	Undefined_Bond_Stereo_Count	0
400185	Hydrogen_Bond_Donor_Count	2
5282485	Structure_Complexity	460
39929	Undefined_Bond_Stereo_Count	0
12209630	Defined_Bond_Stereo_Count	0
556684	Hydrogen_Bond_Acceptor_Count	3
85328	Molecular_Weight	277.28
17475	TPSA	29.1
104755	Covalent_Unit_Count	1
23234	Defined_Atom_Stereo_Count	0
121587	Hydrogen_Bond_Acceptor_Count	4
22954661	Defined_Atom_Stereo_Count	0
712239	Defined_Bond_Stereo_Count	0
45484175	Hydrogen_Bond_Donor_Count	3
90944184	Exact_Mass	94.016712692
16219042	Hydrogen_Bond_Acceptor_Count	2
1551553	XLogP3-AA	0.3
15230353	Isotope_Atom_Count	0
69340823	Structure_Complexity	66.7
3653077	Undefined_Bond_Stereo_Count	0
6273649	Undefined_Atom_Stereo_Count	0
99058	Molecular_Weight	260.14
69571381	Defined_Bond_Stereo_Count	0
87386545	Defined_Atom_Stereo_Count	0
65663	TPSA	97
24586	TPSA	88.6
13400658	Defined_Atom_Stereo_Count	0
68392349	Defined_Bond_Stereo_Count	0
140650857	Hydrogen_Bond_Donor_Count	1
129627254	Undefined_Bond_Stereo_Count	0
5367369	Exact_Mass	332.271530387
92403971	Mono_Isotopic_Weight	420.20088463
16212969	Exact_Mass	416.05303648
4983738	Undefined_Bond_Stereo_Count	0
11594966	Hydrogen_Bond_Acceptor_Count	3
5367222	Isotope_Atom_Count	0
67809	Defined_Bond_Stereo_Count	0
20525471	Exact_Mass	96.043596145
49865784	Structure_Complexity	451
101621558	Structure_Complexity	489
86999	Defined_Bond_Stereo_Count	0
2683	Undefined_Atom_Stereo_Count	0
6712980	Covalent_Unit_Count	1
13925600	Defined_Bond_Stereo_Count	0
447076	Molecular_Weight	395.5
89125265	Total_Formal_Charge	0
49836058	Isotope_Atom_Count	0
81450	Exact_Mass	230.03612798
52950127	Mono_Isotopic_Weight	397.16018325
140535901	Exact_Mass	95.048347172
75320	Total_Formal_Charge	0
176873	Non-hydrogen_Atom_Count	42
93303	Exact_Mass	768.42104815
120737	Hydrogen_Bond_Donor_Count	1
7579	Defined_Atom_Stereo_Count	0
15532	TPSA	89.8
25172086	Defined_Atom_Stereo_Count	1
54051670	Defined_Atom_Stereo_Count	0
132327702	Defined_Atom_Stereo_Count	0
11104792	Hydrogen_Bond_Donor_Count	3
51576	Structure_Complexity	352
453915	Defined_Bond_Stereo_Count	0
89312617	Non-hydrogen_Atom_Count	7
17480032	Total_Formal_Charge	0
9917013	Isotope_Atom_Count	0
11147897	Molecular_Weight	163.13
196651	Non-hydrogen_Atom_Count	19
99516	Exact_Mass	416.32904526
66753191	Undefined_Bond_Stereo_Count	1
98521	Hydrogen_Bond_Donor_Count	1
60196375	Hydrogen_Bond_Acceptor_Count	11
76121	Non-hydrogen_Atom_Count	6
33899	Mono_Isotopic_Weight	420.1815851
13032471	Hydrogen_Bond_Donor_Count	0
89027467	Hydrogen_Bond_Donor_Count	0
4373	Mono_Isotopic_Weight	502.2194272
2844	Defined_Atom_Stereo_Count	0
82468	Defined_Atom_Stereo_Count	0
135410344	Hydrogen_Bond_Acceptor_Count	6
6539985	Isotope_Atom_Count	0
5318156	Hydrogen_Bond_Donor_Count	8
20275	Undefined_Bond_Stereo_Count	0
5484131	Defined_Atom_Stereo_Count	2
3877	Hydrogen_Bond_Donor_Count	2
15485370	Isotope_Atom_Count	0
11205	Molecular_Weight	331.63
32315	Total_Formal_Charge	0
12285863	Non-hydrogen_Atom_Count	12
23567201	Undefined_Atom_Stereo_Count	0
23270355	Undefined_Atom_Stereo_Count	0
168263	Structure_Complexity	83.5
77611871	Non-hydrogen_Atom_Count	8
82766	Exact_Mass	114.068079557
47660	Structure_Complexity	437
57131009	Hydrogen_Bond_Donor_Count	0
17599	Rotatable_Bond_Count	0
56842108	Covalent_Unit_Count	2
10007	Exact_Mass	183.0814771
67299	Structure_Complexity	108
76783	Covalent_Unit_Count	1
441345	TPSA	55.8
65531	Molecular_Weight	133.15
10313382	Hydrogen_Bond_Acceptor_Count	6
123854	Hydrogen_Bond_Acceptor_Count	14
62752	Tautomer_Count	21
21621538	Rotatable_Bond_Count	2
102501728	Exact_Mass	477.16885622
23724827	Covalent_Unit_Count	3
71625548	Rotatable_Bond_Count	10
22020761	Exact_Mass	116.083729621
14818493	XLogP3-AA	0.9
140607	XLogP3-AA	2.7
29373	TPSA	37.3
5281544	Total_Formal_Charge	0
31297	Hydrogen_Bond_Acceptor_Count	2
978766	Exact_Mass	429.05105
67615455	TPSA	110
10427712	Molecular_Weight	346.3
4066	Tautomer_Count	1
147305619	Undefined_Atom_Stereo_Count	3
10270986	Defined_Bond_Stereo_Count	1
61293	TPSA	46.5
61743	Defined_Atom_Stereo_Count	0
11601	Non-hydrogen_Atom_Count	6
87595695	Rotatable_Bond_Count	3
121596705	TPSA	92.8
24868273	Undefined_Bond_Stereo_Count	0
5417	Rotatable_Bond_Count	4
26033	Hydrogen_Bond_Acceptor_Count	8
2531	Mono_Isotopic_Weight	648.994155
8172	Undefined_Atom_Stereo_Count	0
10960920	Undefined_Atom_Stereo_Count	0
129794671	Undefined_Atom_Stereo_Count	0
4178	Hydrogen_Bond_Acceptor_Count	2
45358001	Hydrogen_Bond_Donor_Count	6
31236	Isotope_Atom_Count	0
53798643	Isotope_Atom_Count	0
161973	TPSA	0
7966	Molecular_Weight	100.16
168447	Structure_Complexity	116
40467008	Defined_Bond_Stereo_Count	0
23668353	Structure_Complexity	262
9865961	Covalent_Unit_Count	1
961	Tautomer_Count	1
130993429	Non-hydrogen_Atom_Count	8
12622744	Rotatable_Bond_Count	3
44310743	Total_Formal_Charge	0
10129928	Undefined_Bond_Stereo_Count	0
15567528	Hydrogen_Bond_Donor_Count	2
8199	Defined_Atom_Stereo_Count	0
76755	Hydrogen_Bond_Donor_Count	0
17778639	Isotope_Atom_Count	0
135426867	Tautomer_Count	26
4961823	Exact_Mass	102.079312947
76967371	TPSA	58.2
446222	Total_Formal_Charge	0
24916897	Defined_Atom_Stereo_Count	4
102119819	Hydrogen_Bond_Acceptor_Count	5
144531850	Mono_Isotopic_Weight	109.063997236
91240511	Structure_Complexity	138
26631	Covalent_Unit_Count	1
67420901	Undefined_Bond_Stereo_Count	0
21049457	Undefined_Atom_Stereo_Count	0
441406	Defined_Atom_Stereo_Count	7
87671146	Covalent_Unit_Count	1
61585	Undefined_Atom_Stereo_Count	0
45006148	Hydrogen_Bond_Donor_Count	1
54178371	Non-hydrogen_Atom_Count	7
9280	Structure_Complexity	249
535053	Rotatable_Bond_Count	1
410875	XLogP3-AA	3.5
5288266	Non-hydrogen_Atom_Count	17
44629585	Exact_Mass	537.38046644
10909508	Undefined_Bond_Stereo_Count	0
12494974	Hydrogen_Bond_Acceptor_Count	2
165413019	Exact_Mass	268.08076950
29685	Undefined_Bond_Stereo_Count	0
11073538	Isotope_Atom_Count	0
3052776	Hydrogen_Bond_Donor_Count	1
53759081	Mono_Isotopic_Weight	103.063328530
5311096	Tautomer_Count	2
52195	XLogP3-AA	3
154986845	Exact_Mass	112.063662883
129680036	Hydrogen_Bond_Acceptor_Count	1
12460864	Defined_Bond_Stereo_Count	0
56828	Rotatable_Bond_Count	9
56972160	Undefined_Bond_Stereo_Count	0
71986	Undefined_Bond_Stereo_Count	0
876	TPSA	88.6
5254	Isotope_Atom_Count	0
213021	TPSA	52.3
136437	Non-hydrogen_Atom_Count	4
14707	Rotatable_Bond_Count	3
65755	Rotatable_Bond_Count	7
3394	TPSA	37.3
198061	TPSA	49.8
60196275	Exact_Mass	426.08043
25563891	Undefined_Bond_Stereo_Count	0
528407	TPSA	26
141738	Non-hydrogen_Atom_Count	7
14517197	Molecular_Weight	107.11
92703	Mono_Isotopic_Weight	374.0781827
1794	Total_Formal_Charge	0
71600	Structure_Complexity	79.1
6175	Hydrogen_Bond_Donor_Count	4
80783	Covalent_Unit_Count	1
34415	Covalent_Unit_Count	1
3525005	Molecular_Weight	116.11
5284385	TPSA	44.5
19658	Undefined_Bond_Stereo_Count	0
2777083	Molecular_Weight	126.08
2798315	Undefined_Atom_Stereo_Count	0
37497	Non-hydrogen_Atom_Count	20
15190	Isotope_Atom_Count	0
16051918	Defined_Bond_Stereo_Count	0
81080	Covalent_Unit_Count	1
70008	Defined_Atom_Stereo_Count	0
41257	Defined_Bond_Stereo_Count	0
89555	Hydrogen_Bond_Donor_Count	0
11499204	Isotope_Atom_Count	0
25050	Undefined_Bond_Stereo_Count	0
480953	Non-hydrogen_Atom_Count	36
124087	Structure_Complexity	425
10240797	Structure_Complexity	88.5
20542700	TPSA	52.5
4260354	Isotope_Atom_Count	0
66251	Covalent_Unit_Count	2
42509	Isotope_Atom_Count	0
54011	Molecular_Weight	498.7
529266	Defined_Bond_Stereo_Count	0
460129	Undefined_Atom_Stereo_Count	0
84945	Molecular_Weight	483.6189
5281417	Non-hydrogen_Atom_Count	24
78802	Molecular_Weight	226.10
7842	Mono_Isotopic_Weight	117.94181
129794671	Defined_Atom_Stereo_Count	0
260809	Exact_Mass	129.042593085
54753	Defined_Bond_Stereo_Count	0
9552077	Rotatable_Bond_Count	0
37239	Total_Formal_Charge	1
137332389	Mono_Isotopic_Weight	1354.567399
36294	Total_Formal_Charge	0
84088	Undefined_Atom_Stereo_Count	0
1342	Molecular_Weight	212.29
437085	Non-hydrogen_Atom_Count	22
81668	Undefined_Bond_Stereo_Count	0
53914733	XLogP3-AA	0.6
22986754	Undefined_Atom_Stereo_Count	2
19847	Defined_Atom_Stereo_Count	0
147707445	Covalent_Unit_Count	1
139920	Structure_Complexity	41.7
118978207	Molecular_Weight	112.17
4366	Defined_Bond_Stereo_Count	0
6438149	Rotatable_Bond_Count	12
10241	Structure_Complexity	222
21236	Non-hydrogen_Atom_Count	9
52946076	Total_Formal_Charge	0
38622	Tautomer_Count	2
69967	Covalent_Unit_Count	1
5353521	Defined_Atom_Stereo_Count	0
99960	Structure_Complexity	272
68290287	Molecular_Weight	114.10
65240	Molecular_Weight	569.6
7075	Total_Formal_Charge	0
13889162	Rotatable_Bond_Count	5
216345	Molecular_Weight	581.5
25352	Total_Formal_Charge	0
5284506	Non-hydrogen_Atom_Count	13
20203832	Covalent_Unit_Count	1
92421	Undefined_Bond_Stereo_Count	0
11170938	Mono_Isotopic_Weight	112.074896272
139833631	Undefined_Bond_Stereo_Count	0
2657	TPSA	288
5702049	Undefined_Bond_Stereo_Count	0
9578243	Defined_Atom_Stereo_Count	0
67656913	Undefined_Bond_Stereo_Count	0
57445155	Exact_Mass	102.068079557
57401682	Structure_Complexity	677
17355	Total_Formal_Charge	0
23274317	Undefined_Bond_Stereo_Count	0
118705467	Mono_Isotopic_Weight	645.31491132
71137	Undefined_Bond_Stereo_Count	0
73441	Covalent_Unit_Count	1
47151	Undefined_Atom_Stereo_Count	0
21873275	Isotope_Atom_Count	0
224241	Defined_Atom_Stereo_Count	0
398570	Rotatable_Bond_Count	2
122077	Total_Formal_Charge	0
22448	TPSA	45.8
222284	XLogP3-AA	9.3
9853583	Mono_Isotopic_Weight	756.35567118
751505	Covalent_Unit_Count	1
13635	Rotatable_Bond_Count	1
8862	Structure_Complexity	66.9
13282	Molecular_Weight	250.19
14474501	Structure_Complexity	109
556248	Mono_Isotopic_Weight	108.093900383
68591	Structure_Complexity	655
1317	Mono_Isotopic_Weight	172.193948774
20097868	Rotatable_Bond_Count	2
66708	TPSA	26.3
5941539	Molecular_Weight	390.5
6433586	Hydrogen_Bond_Acceptor_Count	20
9954944	Tautomer_Count	16
72913	Mono_Isotopic_Weight	118.053098200
121734	Hydrogen_Bond_Acceptor_Count	3
15920952	Non-hydrogen_Atom_Count	10
657237	TPSA	140
2775510	Defined_Bond_Stereo_Count	0
535634	Total_Formal_Charge	0
74652199	Covalent_Unit_Count	1
79014	Defined_Bond_Stereo_Count	0
20011	Molecular_Weight	251.15
1211493	Molecular_Weight	282.12
7663	Hydrogen_Bond_Acceptor_Count	2
11159621	Defined_Bond_Stereo_Count	0
12409162	Non-hydrogen_Atom_Count	8
54760	XLogP3-AA	2.3
9535	Exact_Mass	148.08995782
61080	Hydrogen_Bond_Donor_Count	5
10176115	Defined_Bond_Stereo_Count	0
54706138	Non-hydrogen_Atom_Count	49
20219	Undefined_Atom_Stereo_Count	0
73162904	Defined_Bond_Stereo_Count	0
39609	Non-hydrogen_Atom_Count	28
696858	Hydrogen_Bond_Donor_Count	2
53953608	Mono_Isotopic_Weight	114.104465066
165901	Defined_Atom_Stereo_Count	0
135413518	Total_Formal_Charge	0
21873275	Defined_Bond_Stereo_Count	0
5809202	Undefined_Atom_Stereo_Count	3
25522	Exact_Mass	324.183778013
13201	Covalent_Unit_Count	1
21552585	Undefined_Atom_Stereo_Count	0
80507	Isotope_Atom_Count	0
117516	Covalent_Unit_Count	1
73984	Molecular_Weight	104.11
13087010	Mono_Isotopic_Weight	332.23514488
31075	Mono_Isotopic_Weight	294.173213330
67895	Undefined_Atom_Stereo_Count	0
10404	Mono_Isotopic_Weight	241.95636425
656615	Molecular_Weight	358.5
46936357	Molecular_Weight	632.6
135802074	TPSA	226
7012	Structure_Complexity	148
11539562	TPSA	93.7
23892	TPSA	104
12984095	Undefined_Atom_Stereo_Count	1
211468	Hydrogen_Bond_Donor_Count	0
21162823	Exact_Mass	102.068079557
285366	Undefined_Bond_Stereo_Count	0
9864348	Defined_Bond_Stereo_Count	0
82148	Hydrogen_Bond_Acceptor_Count	2
119096546	Molecular_Weight	116.11
160557	Non-hydrogen_Atom_Count	12
70851	Covalent_Unit_Count	1
8924	Mono_Isotopic_Weight	215.236147938
66733	Exact_Mass	217.05613515
9985199	Hydrogen_Bond_Donor_Count	3
45116684	Rotatable_Bond_Count	1
18779032	Undefined_Atom_Stereo_Count	0
19354533	TPSA	9.2
3995	Structure_Complexity	320
11954236	Molecular_Weight	882.8
5281068	Tautomer_Count	2
12309462	Hydrogen_Bond_Acceptor_Count	4
130142668	Structure_Complexity	81
91610	Hydrogen_Bond_Donor_Count	2
9854073	Isotope_Atom_Count	0
68015385	Defined_Atom_Stereo_Count	4
712967	Mono_Isotopic_Weight	331.08782920
91497276	Covalent_Unit_Count	1
445480	Non-hydrogen_Atom_Count	31
6420378	Covalent_Unit_Count	1
78808	Structure_Complexity	69.2
55276371	Hydrogen_Bond_Donor_Count	0
2723951	Undefined_Bond_Stereo_Count	0
96462	Rotatable_Bond_Count	9
31005	Undefined_Atom_Stereo_Count	2
128682	Non-hydrogen_Atom_Count	24
547686	Undefined_Atom_Stereo_Count	0
29685	Defined_Atom_Stereo_Count	0
888457	Exact_Mass	341.0488569
68027290	Total_Formal_Charge	0
11673085	Covalent_Unit_Count	2
84976	Hydrogen_Bond_Donor_Count	4
47660	Isotope_Atom_Count	0
167305	Exact_Mass	407.9681475
100165	Non-hydrogen_Atom_Count	7
4456	Structure_Complexity	246
5885	Non-hydrogen_Atom_Count	48
867	Structure_Complexity	83.1
5382104	Undefined_Atom_Stereo_Count	9
88762442	TPSA	58.9
27882	Isotope_Atom_Count	0
637920	Rotatable_Bond_Count	1
947	TPSA	47.6
99645347	Structure_Complexity	415
22843	Exact_Mass	505.9524465
279062	Molecular_Weight	285.25
9085	Hydrogen_Bond_Donor_Count	4
56643420	Hydrogen_Bond_Acceptor_Count	4
23520950	Non-hydrogen_Atom_Count	8
82175	XLogP3-AA	4.8
135550179	TPSA	220
5903	Defined_Bond_Stereo_Count	0
91591	Exact_Mass	143.0137915
5080759	Structure_Complexity	164
4439	Molecular_Weight	751.0
65909	Hydrogen_Bond_Donor_Count	1
153816117	Hydrogen_Bond_Donor_Count	0
71481106	Hydrogen_Bond_Donor_Count	2
62354	Non-hydrogen_Atom_Count	44
10957430	Tautomer_Count	3
443404	Molecular_Weight	231.33
265375	Isotope_Atom_Count	0
11027	Molecular_Weight	152.23
56683653	Exact_Mass	546.2258500
21954776	TPSA	55.4
7827	Structure_Complexity	109
55220664	Molecular_Weight	98.15
23664980	Undefined_Bond_Stereo_Count	0
137018	TPSA	20.2
12995	Defined_Atom_Stereo_Count	0
71363036	Exact_Mass	801.34907
524266	Structure_Complexity	101
68478	Hydrogen_Bond_Acceptor_Count	2
2724	Mono_Isotopic_Weight	245.0454856
6183357	Isotope_Atom_Count	0
54518010	Covalent_Unit_Count	1
146158340	Non-hydrogen_Atom_Count	36
18950548	Structure_Complexity	80.1
151085	Molecular_Weight	104.15
13577903	Hydrogen_Bond_Donor_Count	2
72200038	Defined_Bond_Stereo_Count	0
57004451	Exact_Mass	114.068079557
15758	Hydrogen_Bond_Acceptor_Count	2
9933197	Hydrogen_Bond_Acceptor_Count	9
54515893	Structure_Complexity	118
10909502	Hydrogen_Bond_Acceptor_Count	2
11073376	Isotope_Atom_Count	0
627254	Defined_Bond_Stereo_Count	0
129679806	Exact_Mass	116.047344113
9823887	Rotatable_Bond_Count	7
57013000	XLogP3-AA	0.6
84221363	Mono_Isotopic_Weight	98.048012819
10029970	Non-hydrogen_Atom_Count	38
24802075	Defined_Atom_Stereo_Count	6
64200	Hydrogen_Bond_Acceptor_Count	2
11306073	Defined_Bond_Stereo_Count	0
29878	Mono_Isotopic_Weight	183.03539970
16628	Total_Formal_Charge	0
91981561	Hydrogen_Bond_Donor_Count	3
7073	XLogP3	1.4
6915	Hydrogen_Bond_Acceptor_Count	2
104755	Structure_Complexity	0
23652660	Rotatable_Bond_Count	5
83466	TPSA	18.5
117890905	Defined_Bond_Stereo_Count	0
145603244	Undefined_Atom_Stereo_Count	2
13654	TPSA	26.3
123203551	Undefined_Bond_Stereo_Count	0
611887	Molecular_Weight	229.27
5475158	TPSA	57.6
8437	Tautomer_Count	1
40302	Molecular_Weight	176.24
95616	Defined_Bond_Stereo_Count	0
102089288	Non-hydrogen_Atom_Count	12
66011	Covalent_Unit_Count	1
23674739	Defined_Atom_Stereo_Count	0
8082	Tautomer_Count	1
59082714	Undefined_Bond_Stereo_Count	0
14511	Exact_Mass	110.073164938
16684927	Hydrogen_Bond_Donor_Count	0
101606430	TPSA	32.3
7301	Isotope_Atom_Count	0
69370	Isotope_Atom_Count	0
25059	Defined_Atom_Stereo_Count	0
117736505	XLogP3-AA	1.6
7343	Defined_Bond_Stereo_Count	0
52141942	Isotope_Atom_Count	0
107202	Exact_Mass	166.062994177
11955716	Defined_Atom_Stereo_Count	0
4545429	Covalent_Unit_Count	1
134283942	Isotope_Atom_Count	0
122282	Mono_Isotopic_Weight	198.11167570
39185	Hydrogen_Bond_Donor_Count	0
399	Undefined_Atom_Stereo_Count	0
13727	Mono_Isotopic_Weight	279.1753775
2733660	Exact_Mass	267.87215
27123	Rotatable_Bond_Count	7
1676	Tautomer_Count	11
135564773	Undefined_Atom_Stereo_Count	0
127441	TPSA	52.5
54584258	Hydrogen_Bond_Donor_Count	0
135444779	Non-hydrogen_Atom_Count	32
86764	Hydrogen_Bond_Acceptor_Count	4
82593562	Structure_Complexity	78.4
49659	Defined_Bond_Stereo_Count	0
55899	Mono_Isotopic_Weight	141.090211983
53954226	Mono_Isotopic_Weight	169.063997236
3614	Non-hydrogen_Atom_Count	9
90937445	Covalent_Unit_Count	1
54587229	Non-hydrogen_Atom_Count	28
69885	Undefined_Bond_Stereo_Count	0
12302654	Rotatable_Bond_Count	4
56634286	Rotatable_Bond_Count	3
157690	Total_Formal_Charge	0
21051076	Defined_Bond_Stereo_Count	0
14586	Rotatable_Bond_Count	0
11441554	Undefined_Atom_Stereo_Count	0
123653016	Hydrogen_Bond_Donor_Count	0
6369388	Rotatable_Bond_Count	3
70693519	TPSA	80.4
447700	Hydrogen_Bond_Acceptor_Count	5
21887872	Rotatable_Bond_Count	0
603	Structure_Complexity	273
4829	Exact_Mass	356.11946368
604	Rotatable_Bond_Count	5
146158974	Undefined_Atom_Stereo_Count	8
542	Hydrogen_Bond_Donor_Count	1
8350	Covalent_Unit_Count	1
3728	Isotope_Atom_Count	0
135071	Exact_Mass	322.15452557
870718	Defined_Atom_Stereo_Count	1
72200409	Defined_Bond_Stereo_Count	0
68928	Rotatable_Bond_Count	6
853561	Hydrogen_Bond_Donor_Count	0
9917968	Exact_Mass	684.52234258
61627	Defined_Atom_Stereo_Count	0
792027	Hydrogen_Bond_Donor_Count	1
128919	Tautomer_Count	5
22737404	Rotatable_Bond_Count	6
5460639	Hydrogen_Bond_Donor_Count	1
47547	Undefined_Atom_Stereo_Count	0
13792372	Mono_Isotopic_Weight	102.068079557
23666879	Undefined_Bond_Stereo_Count	0
160765	Tautomer_Count	1
4042	Tautomer_Count	10
12313523	Hydrogen_Bond_Acceptor_Count	1
46132	Isotope_Atom_Count	0
13025413	Exact_Mass	116.047344113
4983738	Defined_Atom_Stereo_Count	0
54477013	Structure_Complexity	753
19073515	Undefined_Atom_Stereo_Count	1
117295	Defined_Atom_Stereo_Count	0
2724247	Undefined_Bond_Stereo_Count	0
98177686	Hydrogen_Bond_Donor_Count	1
133550157	Isotope_Atom_Count	0
8805	Rotatable_Bond_Count	3
6197820	Undefined_Atom_Stereo_Count	0
53884785	TPSA	38.7
94630	Non-hydrogen_Atom_Count	5
380611	XLogP3-AA	2
4248	Rotatable_Bond_Count	12
39230	Rotatable_Bond_Count	4
10195	Defined_Atom_Stereo_Count	0
14379827	Isotope_Atom_Count	0
115011065	Defined_Atom_Stereo_Count	0
1921	Undefined_Bond_Stereo_Count	0
15783596	Isotope_Atom_Count	0
93011	Molecular_Weight	163.60
16732312	Undefined_Atom_Stereo_Count	0
8186	Hydrogen_Bond_Donor_Count	0
65174	TPSA	221
20442	Covalent_Unit_Count	1
92588	Isotope_Atom_Count	0
27200	TPSA	112
135515430	Undefined_Bond_Stereo_Count	0
35766	Total_Formal_Charge	0
86851	Structure_Complexity	121
65815658	Exact_Mass	115.026943022
21356	Tautomer_Count	2
3544692	Total_Formal_Charge	0
71986	Exact_Mass	284.0927701
16229	Mono_Isotopic_Weight	385.21138974
1211	XLogP3-AA	6
132274070	Rotatable_Bond_Count	11
76692	Non-hydrogen_Atom_Count	6
25271781	Undefined_Atom_Stereo_Count	0
8386	Undefined_Bond_Stereo_Count	0
2723822	Non-hydrogen_Atom_Count	7
2346	Molecular_Weight	149.21
21791633	Structure_Complexity	129
53248849	Total_Formal_Charge	0
44393	Exact_Mass	280.125200510
88481084	XLogP3-AA	5.1
86220885	Structure_Complexity	24.8
89445694	TPSA	17.1
656629	Defined_Atom_Stereo_Count	4
129787588	Covalent_Unit_Count	1
135409347	Total_Formal_Charge	0
57410	TPSA	61.8
31205	Hydrogen_Bond_Donor_Count	0
20693488	Defined_Atom_Stereo_Count	0
58340	Structure_Complexity	252
2487	Hydrogen_Bond_Acceptor_Count	3
154983	Tautomer_Count	1
5311055	Undefined_Atom_Stereo_Count	0
6645	Non-hydrogen_Atom_Count	12
69814	Total_Formal_Charge	0
10455790	Structure_Complexity	818
179822	Mono_Isotopic_Weight	403.78292
24867472	Defined_Atom_Stereo_Count	4
85693614	Rotatable_Bond_Count	3
151182	Structure_Complexity	285
2734236	Hydrogen_Bond_Donor_Count	0
69732358	Isotope_Atom_Count	0
11951726	Non-hydrogen_Atom_Count	27
5329016	Undefined_Atom_Stereo_Count	0
12435	Undefined_Atom_Stereo_Count	0
2817	Covalent_Unit_Count	1
12046	Covalent_Unit_Count	1
78837	XLogP3-AA	2.2
51397515	Structure_Complexity	1020
59154494	Isotope_Atom_Count	0
316542	Molecular_Weight	103.12
67409219	XLogP3-AA	4.1
91012209	Defined_Bond_Stereo_Count	0
27531	XLogP3-AA	2.1
14947257	Rotatable_Bond_Count	2
194	Undefined_Bond_Stereo_Count	0
21749233	Non-hydrogen_Atom_Count	8
887824	Rotatable_Bond_Count	3
123841971	Defined_Bond_Stereo_Count	0
60196424	Non-hydrogen_Atom_Count	27
14944610	Mono_Isotopic_Weight	120.078644241
62779	Isotope_Atom_Count	0
49849523	Isotope_Atom_Count	3
11251988	Exact_Mass	115.063328530
71361084	Exact_Mass	114.02294089
534610	Mono_Isotopic_Weight	114.104465066
15817	Tautomer_Count	2
89248	Defined_Atom_Stereo_Count	0
129627867	Defined_Atom_Stereo_Count	0
139938268	Undefined_Atom_Stereo_Count	1
4373502	Molecular_Weight	236.25
129491	Hydrogen_Bond_Donor_Count	0
2570	Undefined_Bond_Stereo_Count	0
101307877	Undefined_Bond_Stereo_Count	0
73313	Mono_Isotopic_Weight	184.04840674
59814883	Undefined_Atom_Stereo_Count	0
11126249	XLogP3-AA	2.3
125353406	Covalent_Unit_Count	1
19137	XLogP3	1.7
446201	Non-hydrogen_Atom_Count	49
42608159	Undefined_Atom_Stereo_Count	1
2799	XLogP3-AA	8.1
135391180	Total_Formal_Charge	0
98930	Hydrogen_Bond_Donor_Count	0
209257	XLogP3-AA	0.4
18170	Hydrogen_Bond_Donor_Count	0
300312	Hydrogen_Bond_Acceptor_Count	1
3032338	TPSA	70.1
14180	Covalent_Unit_Count	1
8401	Defined_Bond_Stereo_Count	0
58640	Hydrogen_Bond_Acceptor_Count	5
88793951	Rotatable_Bond_Count	2
135738851	TPSA	231
53249491	Undefined_Bond_Stereo_Count	0
5072	Hydrogen_Bond_Donor_Count	1
54736666	Hydrogen_Bond_Acceptor_Count	18
12452576	Molecular_Weight	85.12
55840	Undefined_Atom_Stereo_Count	0
41910	Defined_Atom_Stereo_Count	0
16682935	Rotatable_Bond_Count	0
82917	Hydrogen_Bond_Acceptor_Count	2
12167465	Mono_Isotopic_Weight	182.98693043
19067998	Undefined_Bond_Stereo_Count	0
1306	Rotatable_Bond_Count	15
23082568	Covalent_Unit_Count	2
128918	Tautomer_Count	1
21998248	Structure_Complexity	212
11492406	Non-hydrogen_Atom_Count	16
75274	Rotatable_Bond_Count	6
40839	Undefined_Bond_Stereo_Count	0
10975415	Structure_Complexity	88.1
53628440	Defined_Bond_Stereo_Count	0
6702	Mono_Isotopic_Weight	237.078978594
20583864	Non-hydrogen_Atom_Count	8
11214	Molecular_Weight	548.7
13898	Hydrogen_Bond_Acceptor_Count	2
2998624	Isotope_Atom_Count	0
54325138	Mono_Isotopic_Weight	99.032028402
3300	Isotope_Atom_Count	0
2724	Defined_Atom_Stereo_Count	0
11154711	Total_Formal_Charge	0
21675991	Hydrogen_Bond_Donor_Count	0
44545852	Hydrogen_Bond_Donor_Count	1
8411	Hydrogen_Bond_Acceptor_Count	4
89576913	Undefined_Bond_Stereo_Count	0
6871	Total_Formal_Charge	0
129859073	XLogP3-AA	2.9
44609163	XLogP3-AA	2.6
15311935	Undefined_Bond_Stereo_Count	0
11480819	Rotatable_Bond_Count	1
5388992	Isotope_Atom_Count	0
76507	XLogP3-AA	0
5362460	Total_Formal_Charge	0
10772948	Hydrogen_Bond_Donor_Count	0
18380130	Molecular_Weight	116.12
14020446	Exact_Mass	114.068079557
9903930	Structure_Complexity	375
123168	Structure_Complexity	51.3
18597	Non-hydrogen_Atom_Count	11
17310	Total_Formal_Charge	1
15038	Total_Formal_Charge	0
6688	Undefined_Bond_Stereo_Count	0
5921	Rotatable_Bond_Count	2
15786916	Molecular_Weight	60.03
164511488	Hydrogen_Bond_Donor_Count	4
33094	Covalent_Unit_Count	1
54725318	Hydrogen_Bond_Acceptor_Count	7
44630475	Covalent_Unit_Count	2
4793	Defined_Atom_Stereo_Count	0
16211197	Hydrogen_Bond_Acceptor_Count	5
91386640	Non-hydrogen_Atom_Count	7
17236	Covalent_Unit_Count	1
5666	Covalent_Unit_Count	1
51464	XLogP3	6.5
108182	Non-hydrogen_Atom_Count	21
3058751	TPSA	35.2
10898645	Undefined_Bond_Stereo_Count	0
22779	Isotope_Atom_Count	0
18432427	Structure_Complexity	286
4724	Non-hydrogen_Atom_Count	21
408714	Isotope_Atom_Count	0
72177	XLogP3-AA	5
449381	Hydrogen_Bond_Donor_Count	3
72199381	Structure_Complexity	558
163090691	Mono_Isotopic_Weight	842.51400504
142106	TPSA	37.3
413547	Exact_Mass	231.186123742
71698	Undefined_Bond_Stereo_Count	0
55624	Structure_Complexity	581
59009	Undefined_Bond_Stereo_Count	0
8667	Non-hydrogen_Atom_Count	19
16212773	Mono_Isotopic_Weight	354.15646954
21884	Isotope_Atom_Count	0
6061	Undefined_Bond_Stereo_Count	0
20653	TPSA	37.3
73755067	Mono_Isotopic_Weight	376.07706310
10938769	Undefined_Atom_Stereo_Count	0
12097375	Undefined_Atom_Stereo_Count	1
5242433	Total_Formal_Charge	1
12468309	XLogP3-AA	0.8
272833	Mono_Isotopic_Weight	364.10929292
91231076	Undefined_Bond_Stereo_Count	0
19883311	Undefined_Atom_Stereo_Count	1
23286	Undefined_Bond_Stereo_Count	0
23581869	Non-hydrogen_Atom_Count	26
7934	Defined_Atom_Stereo_Count	0
13757192	Undefined_Atom_Stereo_Count	1
3283	Isotope_Atom_Count	0
36633	Hydrogen_Bond_Acceptor_Count	5
18715987	Rotatable_Bond_Count	3
30971	Undefined_Bond_Stereo_Count	0
9837674	Undefined_Atom_Stereo_Count	0
61103	Rotatable_Bond_Count	0
4528	Non-hydrogen_Atom_Count	18
11169	Rotatable_Bond_Count	0
24824	Undefined_Bond_Stereo_Count	0
53484514	Non-hydrogen_Atom_Count	6
2418	Rotatable_Bond_Count	4
83975	Exact_Mass	331.17835828
66073187	Molecular_Weight	113.16
13709	Non-hydrogen_Atom_Count	16
44134877	Total_Formal_Charge	0
11412863	Defined_Bond_Stereo_Count	0
15276695	Hydrogen_Bond_Donor_Count	0
55840	Defined_Atom_Stereo_Count	0
447297	Exact_Mass	327.10414797
6403	Undefined_Atom_Stereo_Count	0
10442928	Undefined_Bond_Stereo_Count	0
197883	Molecular_Weight	182.2
440784	Non-hydrogen_Atom_Count	43
10308091	Defined_Bond_Stereo_Count	0
123870	TPSA	26
5360970	Exact_Mass	369.23039385
10131269	Defined_Bond_Stereo_Count	0
6983	Hydrogen_Bond_Donor_Count	0
15657909	Defined_Atom_Stereo_Count	0
62724	Molecular_Weight	412.3
130038395	Defined_Bond_Stereo_Count	0
8022	Exact_Mass	71.037113783
59792626	Structure_Complexity	19.2
2723733	Defined_Bond_Stereo_Count	0
162501	Exact_Mass	321.07258686
65513	Molecular_Weight	307.14
10177	XLogP3-AA	2.7
59252	Hydrogen_Bond_Donor_Count	2
10027816	Undefined_Atom_Stereo_Count	1
86747	Exact_Mass	412.370516150
18345891	Defined_Atom_Stereo_Count	1
21889167	Mono_Isotopic_Weight	161.06880783
62158	Hydrogen_Bond_Donor_Count	3
41043	Undefined_Atom_Stereo_Count	0
49855364	Mono_Isotopic_Weight	567.23041111
124918412	XLogP3-AA	2.7
135413554	Covalent_Unit_Count	1
138125	Exact_Mass	84.093900383
11611114	Total_Formal_Charge	0
618150	TPSA	26.3
62835	Tautomer_Count	2
71180	Rotatable_Bond_Count	0
548282	Isotope_Atom_Count	0
24900749	Undefined_Atom_Stereo_Count	0
69315	Exact_Mass	290.130679813
56955284	Hydrogen_Bond_Acceptor_Count	2
16759993	Defined_Atom_Stereo_Count	2
684	Hydrogen_Bond_Acceptor_Count	16
6844	Mono_Isotopic_Weight	188.047344113
57401205	Undefined_Atom_Stereo_Count	1
10043211	XLogP3-AA	5.2
32610	Covalent_Unit_Count	1
3055168	Covalent_Unit_Count	1
5293	Non-hydrogen_Atom_Count	37
57393451	Mono_Isotopic_Weight	671.26744835
13384041	Molecular_Weight	332.31
4355	Isotope_Atom_Count	0
156970	Hydrogen_Bond_Donor_Count	0
13265779	Non-hydrogen_Atom_Count	7
10355488	Rotatable_Bond_Count	1
65052	Mono_Isotopic_Weight	137.047678466
5158	Hydrogen_Bond_Acceptor_Count	26
10771356	TPSA	180
90735654	Exact_Mass	106.078250319
21014990	Defined_Bond_Stereo_Count	0
129627867	Undefined_Atom_Stereo_Count	0
134823887	Covalent_Unit_Count	2
7507	Exact_Mass	114.104465066
9403	Non-hydrogen_Atom_Count	29
95010	Tautomer_Count	1
75355757	Rotatable_Bond_Count	2
62651	Rotatable_Bond_Count	0
11789342	Covalent_Unit_Count	1
11062545	Non-hydrogen_Atom_Count	8
10103139	Undefined_Bond_Stereo_Count	0
402827	Hydrogen_Bond_Acceptor_Count	9
21783	Hydrogen_Bond_Donor_Count	1
7044038	Defined_Atom_Stereo_Count	5
123806389	Total_Formal_Charge	0
8275	Defined_Bond_Stereo_Count	0
168924	Hydrogen_Bond_Donor_Count	0
135398003	Hydrogen_Bond_Acceptor_Count	3
24771777	Covalent_Unit_Count	1
571982	Molecular_Weight	476.13
21827	Total_Formal_Charge	0
70783	Undefined_Bond_Stereo_Count	0
15744	Undefined_Bond_Stereo_Count	0
13150	Rotatable_Bond_Count	2
61902348	Defined_Bond_Stereo_Count	0
561488	Covalent_Unit_Count	1
3033821	Hydrogen_Bond_Donor_Count	0
7015191	Covalent_Unit_Count	1
1511	Defined_Atom_Stereo_Count	0
5257090	Undefined_Bond_Stereo_Count	0
168256	Non-hydrogen_Atom_Count	31
4056	Defined_Atom_Stereo_Count	0
67258704	Defined_Atom_Stereo_Count	0
4180	Molecular_Weight	293.3
11906	Total_Formal_Charge	0
74370	Non-hydrogen_Atom_Count	57
91277	Structure_Complexity	342
44661643	Molecular_Weight	665.7
21685	Undefined_Atom_Stereo_Count	2
10180201	Isotope_Atom_Count	0
5902	XLogP3-AA	3.9
11235360	Total_Formal_Charge	0
90753032	TPSA	190
3081077	Exact_Mass	392.118897
105166	Mono_Isotopic_Weight	194.964794
919	Structure_Complexity	265
104807	Mono_Isotopic_Weight	134.08776963
44407737	Hydrogen_Bond_Donor_Count	1
62232962	Exact_Mass	112.052429494
12248518	Isotope_Atom_Count	0
131752808	Hydrogen_Bond_Donor_Count	0
5311309	Total_Formal_Charge	0
16683091	Exact_Mass	767.69088
20387228	Non-hydrogen_Atom_Count	8
12567226	Defined_Bond_Stereo_Count	0
5074	Mono_Isotopic_Weight	477.16863993
62872	XLogP3	7.3
90127780	Undefined_Bond_Stereo_Count	0
22052176	Hydrogen_Bond_Donor_Count	1
102318232	Hydrogen_Bond_Donor_Count	1
74570	Hydrogen_Bond_Donor_Count	1
15758	Undefined_Bond_Stereo_Count	0
10444413	Undefined_Atom_Stereo_Count	0
61489	TPSA	177
41552	Mono_Isotopic_Weight	204.115029749
5333	Defined_Bond_Stereo_Count	0
54557	Covalent_Unit_Count	1
6430518	Covalent_Unit_Count	1
28125489	Total_Formal_Charge	1
12176	Covalent_Unit_Count	1
297812	Molecular_Weight	319.26
673647	Non-hydrogen_Atom_Count	12
5281969	Structure_Complexity	408
21107383	XLogP3-AA	3.5
44485	Tautomer_Count	34
76225402	Total_Formal_Charge	0
11505444	Mono_Isotopic_Weight	617.25595715
93251	Undefined_Atom_Stereo_Count	0
3085219	Rotatable_Bond_Count	0
6438895	Hydrogen_Bond_Donor_Count	3
522662	Structure_Complexity	60.4
5351	Tautomer_Count	1
47553	XLogP3	1.4
135414420	Mono_Isotopic_Weight	364.04937236
16683023	Rotatable_Bond_Count	4
146571	Isotope_Atom_Count	0
7232	Structure_Complexity	244
6947362	Covalent_Unit_Count	1
15559073	Molecular_Weight	278.4
24181146	TPSA	161
9831415	Structure_Complexity	425
68781	Exact_Mass	416.18350323
154803918	Structure_Complexity	1220
75057	Total_Formal_Charge	1
95083	Defined_Atom_Stereo_Count	0
20497487	Non-hydrogen_Atom_Count	7
70695759	Hydrogen_Bond_Donor_Count	3
13858	Defined_Atom_Stereo_Count	0
10029970	Undefined_Atom_Stereo_Count	1
88098	Rotatable_Bond_Count	3
2322334	Total_Formal_Charge	0
230976	TPSA	89.2
286827	Exact_Mass	101.084063974
82261	Covalent_Unit_Count	1
72728884	Isotope_Atom_Count	0
70454767	Hydrogen_Bond_Acceptor_Count	2
483559	Non-hydrogen_Atom_Count	30
23914	Covalent_Unit_Count	1
256411	Hydrogen_Bond_Donor_Count	2
24825271	Hydrogen_Bond_Acceptor_Count	6
726050	Hydrogen_Bond_Acceptor_Count	2
22220875	Non-hydrogen_Atom_Count	8
135532293	Defined_Atom_Stereo_Count	0
25154249	Defined_Bond_Stereo_Count	0
15327061	TPSA	40.5
134250232	XLogP3-AA	0.6
81920	Total_Formal_Charge	0
429456	Undefined_Bond_Stereo_Count	0
339496	Mono_Isotopic_Weight	279.92326
11636326	Structure_Complexity	606
14251035	Undefined_Bond_Stereo_Count	0
23662403	Exact_Mass	348.17351024
129654248	TPSA	15.4
8386	Undefined_Atom_Stereo_Count	0
220175	Defined_Bond_Stereo_Count	0
12751986	Defined_Bond_Stereo_Count	0
55303612	Mono_Isotopic_Weight	113.047678466
6915836	Structure_Complexity	517
158782	Hydrogen_Bond_Donor_Count	17
6584	Molecular_Weight	74.08
137268	Structure_Complexity	109
54149606	TPSA	41.1
3842125	Isotope_Atom_Count	0
8272	Hydrogen_Bond_Donor_Count	2
5477380	XLogP3	5.9
48889	Non-hydrogen_Atom_Count	18
267493	Molecular_Weight	259.22
80108693	Rotatable_Bond_Count	1
59020	Total_Formal_Charge	0
135409836	Hydrogen_Bond_Donor_Count	6
84647614	Structure_Complexity	53.7
155346	Exact_Mass	287.16337692
16398	Hydrogen_Bond_Acceptor_Count	1
69885	Defined_Atom_Stereo_Count	0
45266742	Mono_Isotopic_Weight	258.03787837
162990682	Structure_Complexity	1220
6568	Hydrogen_Bond_Acceptor_Count	1
90264	Tautomer_Count	5
57401683	Undefined_Atom_Stereo_Count	0
6419921	Rotatable_Bond_Count	3
60196397	Mono_Isotopic_Weight	724.59570474
45780	Rotatable_Bond_Count	1
87815038	Covalent_Unit_Count	1
72296	Undefined_Bond_Stereo_Count	1
16211884	Rotatable_Bond_Count	1
54691418	Non-hydrogen_Atom_Count	15
17572266	Undefined_Bond_Stereo_Count	0
14511497	Undefined_Bond_Stereo_Count	0
9158	Isotope_Atom_Count	0
4845	Total_Formal_Charge	0
7304	Defined_Bond_Stereo_Count	0
6699	XLogP3-AA	5.9
9934033	Mono_Isotopic_Weight	425.20271676
7594	Molecular_Weight	211.26
9500	Covalent_Unit_Count	1
14683451	Hydrogen_Bond_Acceptor_Count	2
162014	Hydrogen_Bond_Donor_Count	3
4376	Covalent_Unit_Count	1
590596	Rotatable_Bond_Count	0
45381640	Undefined_Atom_Stereo_Count	0
10465793	Rotatable_Bond_Count	2
524954	Exact_Mass	106.078250319
164825	Molecular_Weight	534.4
92764	Undefined_Bond_Stereo_Count	0
242436	Exact_Mass	357.15762283
123788466	Mono_Isotopic_Weight	95.048347172
433604	Undefined_Bond_Stereo_Count	0
6414	Undefined_Atom_Stereo_Count	0
4571243	XLogP3-AA	4.2
10811	Rotatable_Bond_Count	4
2530251	Defined_Atom_Stereo_Count	0
138394518	Exact_Mass	1388.93119660
57415441	Hydrogen_Bond_Donor_Count	1
240	Undefined_Bond_Stereo_Count	0
11954389	Molecular_Weight	470.9
12504793	Exact_Mass	100.088815002
44563144	Total_Formal_Charge	0
10958189	Rotatable_Bond_Count	7
7568485	TPSA	9.2
44520827	Molecular_Weight	314.8
67214459	Molecular_Weight	111.14
12313849	TPSA	57.2
101905	Undefined_Bond_Stereo_Count	0
13905	Rotatable_Bond_Count	5
97758	Exact_Mass	82.041864811
53665	Exact_Mass	215.914777
123867984	TPSA	9.2
33733	Undefined_Atom_Stereo_Count	0
67589	Defined_Atom_Stereo_Count	0
12993402	Exact_Mass	252.208930132
54675785	Hydrogen_Bond_Donor_Count	6
10330781	XLogP3	0.9
23677058	Structure_Complexity	384
90990	Defined_Atom_Stereo_Count	0
549876	Undefined_Atom_Stereo_Count	0
257950	Defined_Bond_Stereo_Count	0
143047391	Undefined_Atom_Stereo_Count	0
5311501	Rotatable_Bond_Count	4
12097423	Non-hydrogen_Atom_Count	8
69537	Isotope_Atom_Count	0
71719928	Defined_Atom_Stereo_Count	4
4582877	Structure_Complexity	172
31298	Exact_Mass	190.0161736
441302	Undefined_Atom_Stereo_Count	0
12374	TPSA	40.5
12338093	Defined_Bond_Stereo_Count	0
774	Hydrogen_Bond_Acceptor_Count	2
2905	Mono_Isotopic_Weight	291.18344366
28397	Structure_Complexity	311
701841	Covalent_Unit_Count	1
10977	Mono_Isotopic_Weight	106.0549280
193653	Total_Formal_Charge	0
3052777	Mono_Isotopic_Weight	373.0384821
86711	XLogP3-AA	4.9
562087	Mono_Isotopic_Weight	206.094294304
13203950	Total_Formal_Charge	0
477	Non-hydrogen_Atom_Count	28
132469488	Undefined_Atom_Stereo_Count	9
5362115	Structure_Complexity	649
2723853	Defined_Bond_Stereo_Count	0
66683198	Molecular_Weight	341.8
79811	Undefined_Bond_Stereo_Count	0
251504	Exact_Mass	113.047678466
12547675	Hydrogen_Bond_Donor_Count	0
65575	TPSA	20.2
33353	Rotatable_Bond_Count	5
13611193	Exact_Mass	108.093900383
5382104	Rotatable_Bond_Count	8
12	Defined_Bond_Stereo_Count	0
18424867	Mono_Isotopic_Weight	101.022526347
134812042	Total_Formal_Charge	0
73353803	Defined_Atom_Stereo_Count	1
87774825	Total_Formal_Charge	0
8184	Defined_Atom_Stereo_Count	0
76497	Hydrogen_Bond_Donor_Count	2
98088	Mono_Isotopic_Weight	138.104465066
67356	Mono_Isotopic_Weight	509.1282236
18218196	Covalent_Unit_Count	1
148828281	Undefined_Bond_Stereo_Count	0
4460493	Covalent_Unit_Count	1
2645	Non-hydrogen_Atom_Count	37
154515685	Defined_Atom_Stereo_Count	0
10800	Molecular_Weight	198.13
12921228	Structure_Complexity	101
723025	Exact_Mass	282.14806121
15670683	Undefined_Atom_Stereo_Count	2
129774195	Rotatable_Bond_Count	0
48838	Rotatable_Bond_Count	2
123093	Defined_Bond_Stereo_Count	0
12200	Total_Formal_Charge	0
131700219	Isotope_Atom_Count	10
8923	Tautomer_Count	1
693167	TPSA	52.8
46780289	Covalent_Unit_Count	1
71312117	Molecular_Weight	393.5
54362500	XLogP3-AA	0.2
43116	Exact_Mass	851.37752882
64722	Defined_Atom_Stereo_Count	0
154479899	Undefined_Atom_Stereo_Count	3
55288485	Non-hydrogen_Atom_Count	8
11115809	Structure_Complexity	2110
51003592	Hydrogen_Bond_Donor_Count	1
19782027	Covalent_Unit_Count	1
23238195	Defined_Bond_Stereo_Count	0
21061676	Undefined_Bond_Stereo_Count	0
1549098	Molecular_Weight	153.16
6424	Exact_Mass	309.80265
73648	XLogP3-AA	3.2
23662384	Covalent_Unit_Count	3
12608294	Hydrogen_Bond_Donor_Count	1
5281613	Defined_Atom_Stereo_Count	10
34208	Defined_Bond_Stereo_Count	0
136237946	Isotope_Atom_Count	0
2734176	Exact_Mass	281.07680542
101742	XLogP3-AA	4.3
40159	Tautomer_Count	1
10960	Undefined_Atom_Stereo_Count	0
9223	Hydrogen_Bond_Acceptor_Count	1
12304094	Isotope_Atom_Count	0
92922	Undefined_Bond_Stereo_Count	0
12100	Non-hydrogen_Atom_Count	9
6273	Defined_Bond_Stereo_Count	0
22033948	Hydrogen_Bond_Acceptor_Count	3
53355697	Undefined_Atom_Stereo_Count	1
15766	Rotatable_Bond_Count	1
9283	Hydrogen_Bond_Acceptor_Count	3
142186967	Mono_Isotopic_Weight	416.32904526
56670167	Rotatable_Bond_Count	4
89131	Isotope_Atom_Count	0
58387740	Rotatable_Bond_Count	3
145729	Mono_Isotopic_Weight	388.00728326
51683431	Exact_Mass	342.11621151
53387035	Defined_Bond_Stereo_Count	0
11543	Defined_Bond_Stereo_Count	0
53678373	Non-hydrogen_Atom_Count	8
74229	Structure_Complexity	192
21604849	Exact_Mass	110.073164938
8192	Molecular_Weight	204.78
53664307	Structure_Complexity	53.7
1343	Covalent_Unit_Count	1
8888	Hydrogen_Bond_Acceptor_Count	1
160157	Molecular_Weight	205.64
6621	Structure_Complexity	306
23691042	Undefined_Bond_Stereo_Count	0
415628	Hydrogen_Bond_Acceptor_Count	2
45051637	Rotatable_Bond_Count	0
101554	Tautomer_Count	1
67473	Total_Formal_Charge	0
25185	Structure_Complexity	170
77797	Undefined_Atom_Stereo_Count	0
21932803	Exact_Mass	121.03884512
11306	Undefined_Atom_Stereo_Count	0
5732	Rotatable_Bond_Count	3
23663969	Tautomer_Count	152
13521	Hydrogen_Bond_Acceptor_Count	4
44273397	XLogP3-AA	4
17652	XLogP3	1.2
59390227	Covalent_Unit_Count	1
9889168	Hydrogen_Bond_Donor_Count	0
42963	Mono_Isotopic_Weight	294.12157168
61916	Covalent_Unit_Count	1
11954230	Mono_Isotopic_Weight	364.1376123
136261376	TPSA	42.7
117933223	Hydrogen_Bond_Donor_Count	0
14274724	Undefined_Bond_Stereo_Count	0
590130	Hydrogen_Bond_Acceptor_Count	2
84647594	Hydrogen_Bond_Donor_Count	1
57972066	Exact_Mass	342.11621151
450591	Isotope_Atom_Count	1
11983193	Rotatable_Bond_Count	12
439278	Covalent_Unit_Count	1
10972	TPSA	66.4
12735	Defined_Bond_Stereo_Count	0
6378	Hydrogen_Bond_Acceptor_Count	1
54757630	Rotatable_Bond_Count	8
12885796	Rotatable_Bond_Count	4
76957024	Hydrogen_Bond_Acceptor_Count	4
643544	Exact_Mass	203.192862891
18541939	Tautomer_Count	9
5372600	Hydrogen_Bond_Acceptor_Count	2
12644711	Non-hydrogen_Atom_Count	6
104865206	Rotatable_Bond_Count	2
220164	Mono_Isotopic_Weight	84.057514874
12948	Covalent_Unit_Count	2
88836	Non-hydrogen_Atom_Count	17
409347	Structure_Complexity	363
141959525	TPSA	12
11636816	Hydrogen_Bond_Donor_Count	1
59398673	Covalent_Unit_Count	1
10246505	Hydrogen_Bond_Donor_Count	3
10758	Isotope_Atom_Count	0
11632113	Exact_Mass	371.12813423
155434	Molecular_Weight	400.5
9855454	Undefined_Atom_Stereo_Count	1
551191	Undefined_Atom_Stereo_Count	1
165649752	Isotope_Atom_Count	0
5743836	TPSA	49.8
67495	Molecular_Weight	198.29
3464	Rotatable_Bond_Count	7
51003564	Mono_Isotopic_Weight	256.121177757
980806	Exact_Mass	426.0917247
71587288	TPSA	99
25701	Hydrogen_Bond_Donor_Count	3
6580	Hydrogen_Bond_Acceptor_Count	1
69851796	Hydrogen_Bond_Acceptor_Count	3
21124335	Tautomer_Count	3
70949	Non-hydrogen_Atom_Count	10
4068533	Defined_Atom_Stereo_Count	0
154474669	Hydrogen_Bond_Donor_Count	2
45086609	Structure_Complexity	170
59064	Undefined_Bond_Stereo_Count	0
11919	Isotope_Atom_Count	0
15559317	XLogP3-AA	2.1
674879	Isotope_Atom_Count	0
7093	Total_Formal_Charge	0
18213	Total_Formal_Charge	0
73658	Exact_Mass	811.47314329
142059572	Defined_Bond_Stereo_Count	0
69086581	Defined_Atom_Stereo_Count	0
102518	Rotatable_Bond_Count	0
6602103	Total_Formal_Charge	0
75421	Total_Formal_Charge	0
53970191	XLogP3-AA	1.7
446167	Defined_Atom_Stereo_Count	0
70912	Exact_Mass	173.10519334
135565424	Mono_Isotopic_Weight	266.14528450
60196405	Hydrogen_Bond_Acceptor_Count	5
195	Isotope_Atom_Count	0
31803	Mono_Isotopic_Weight	341.16270821
65589	Defined_Atom_Stereo_Count	0
153977505	Molecular_Weight	96.09
9953205	XLogP3-AA	3.4
41867	Rotatable_Bond_Count	5
70684312	Total_Formal_Charge	0
21275073	Defined_Bond_Stereo_Count	0
55855	Exact_Mass	280.157563266
81713	Defined_Bond_Stereo_Count	0
132399083	Hydrogen_Bond_Donor_Count	7
447482	Total_Formal_Charge	0
839	TPSA	121
12580	Mono_Isotopic_Weight	136.088815002
66615626	Defined_Bond_Stereo_Count	0
4369325	Defined_Atom_Stereo_Count	0
14868	TPSA	49.3
12412245	Hydrogen_Bond_Donor_Count	1
92180	Structure_Complexity	236
138611145	Covalent_Unit_Count	1
129364810	Isotope_Atom_Count	0
10484815	Mono_Isotopic_Weight	694.31870834
6473	Covalent_Unit_Count	1
2763080	XLogP3-AA	0.3
13618	Rotatable_Bond_Count	0
22406051	Defined_Atom_Stereo_Count	0
24860971	Undefined_Atom_Stereo_Count	0
54565105	Molecular_Weight	96.17
41109	Isotope_Atom_Count	0
5454	TPSA	77.5
44401271	Undefined_Atom_Stereo_Count	0
5978	XLogP3	2.8
22082840	TPSA	26
95883	Mono_Isotopic_Weight	161.06880783
449488	Mono_Isotopic_Weight	72.068748264
12081	Undefined_Atom_Stereo_Count	0
135400456	Defined_Bond_Stereo_Count	0
9547700	Hydrogen_Bond_Donor_Count	1
13618050	Covalent_Unit_Count	1
134687781	Structure_Complexity	1480
42963	Isotope_Atom_Count	0
449107	Isotope_Atom_Count	0
12412266	Hydrogen_Bond_Donor_Count	0
48973	Rotatable_Bond_Count	6
77918	Rotatable_Bond_Count	2
8356	Undefined_Atom_Stereo_Count	0
31251	Undefined_Bond_Stereo_Count	0
15448	Undefined_Atom_Stereo_Count	1
17857	Isotope_Atom_Count	0
75633	Rotatable_Bond_Count	2
53420227	TPSA	40.5
71820	Tautomer_Count	1
4581	Rotatable_Bond_Count	2
236566	Hydrogen_Bond_Acceptor_Count	3
22378	Covalent_Unit_Count	2
92032367	Defined_Atom_Stereo_Count	0
5356789	Isotope_Atom_Count	0
3277	Mono_Isotopic_Weight	289.15387487
23696271	Hydrogen_Bond_Acceptor_Count	5
58323974	XLogP3-AA	3.1
448055	XLogP3-AA	2.2
166957	Exact_Mass	196.96721
7827	Undefined_Bond_Stereo_Count	0
24900685	Defined_Bond_Stereo_Count	0
139084136	Undefined_Atom_Stereo_Count	0
71460926	Isotope_Atom_Count	0
11988953	Tautomer_Count	1
156580566	XLogP3-AA	3.2
679777	Non-hydrogen_Atom_Count	22
630635	Hydrogen_Bond_Donor_Count	0
30999	TPSA	41.8
24181458	Hydrogen_Bond_Acceptor_Count	8
12960	Undefined_Atom_Stereo_Count	2
139591683	Isotope_Atom_Count	0
91981561	Defined_Bond_Stereo_Count	0
7233	Exact_Mass	350.329713967
4640	Total_Formal_Charge	0
96129	Hydrogen_Bond_Donor_Count	1
37467	Non-hydrogen_Atom_Count	18
90936519	Rotatable_Bond_Count	15
12472	Covalent_Unit_Count	1
5966	Non-hydrogen_Atom_Count	40
9973981	Exact_Mass	331.1339066
20334570	Mono_Isotopic_Weight	116.083729621
22818	Hydrogen_Bond_Donor_Count	1
57404062	Exact_Mass	616.34721450
135418174	XLogP3-AA	1.4
5702238	Hydrogen_Bond_Acceptor_Count	3
53464	Non-hydrogen_Atom_Count	19
93573	Undefined_Bond_Stereo_Count	0
129852452	Total_Formal_Charge	0
138077	Covalent_Unit_Count	1
7103	Covalent_Unit_Count	1
13771069	Defined_Atom_Stereo_Count	0
3822	TPSA	69.7
237766	Total_Formal_Charge	0
26576	TPSA	50.8
5077	Defined_Bond_Stereo_Count	0
10898	Hydrogen_Bond_Acceptor_Count	1
164116	Covalent_Unit_Count	1
87743	Molecular_Weight	378.25
9093	TPSA	18.5
6444826	Defined_Bond_Stereo_Count	1
45467	Hydrogen_Bond_Acceptor_Count	6
564996	Defined_Atom_Stereo_Count	0
5487427	Hydrogen_Bond_Donor_Count	1
6054	Rotatable_Bond_Count	2
441467	Hydrogen_Bond_Acceptor_Count	7
24883432	Undefined_Bond_Stereo_Count	0
12359612	Undefined_Bond_Stereo_Count	0
123525	Hydrogen_Bond_Acceptor_Count	1
107794	Hydrogen_Bond_Donor_Count	5
69892	XLogP3-AA	2.2
124636142	Total_Formal_Charge	0
88720280	Total_Formal_Charge	0
5354626	Molecular_Weight	350.5
11860544	Undefined_Atom_Stereo_Count	0
54428	Molecular_Weight	360.9
735950	Hydrogen_Bond_Acceptor_Count	2
3305	Tautomer_Count	1
4690818	Structure_Complexity	260
4583824	Undefined_Atom_Stereo_Count	0
7060	Exact_Mass	143.073499291
10678209	Molecular_Weight	114.14
59706	Mono_Isotopic_Weight	343.21474379
2484	TPSA	3.2
7252	Hydrogen_Bond_Acceptor_Count	2
5064	Hydrogen_Bond_Acceptor_Count	7
13584912	Non-hydrogen_Atom_Count	15
96299	Defined_Bond_Stereo_Count	0
19814	Isotope_Atom_Count	0
124809075	Defined_Atom_Stereo_Count	16
36513	Hydrogen_Bond_Acceptor_Count	3
30380	TPSA	29.1
668508	Covalent_Unit_Count	1
6708461	Hydrogen_Bond_Acceptor_Count	16
774599	Defined_Atom_Stereo_Count	0
29385	TPSA	0
87692081	Isotope_Atom_Count	0
139086359	Total_Formal_Charge	0
21942786	Undefined_Bond_Stereo_Count	0
10799	Non-hydrogen_Atom_Count	20
27993	Hydrogen_Bond_Acceptor_Count	5
23721821	Hydrogen_Bond_Donor_Count	4
11595431	Total_Formal_Charge	0
17358	TPSA	1
161561	Molecular_Weight	430.9
5308	Exact_Mass	272.0716407
17174	Isotope_Atom_Count	0
66663660	Undefined_Atom_Stereo_Count	0
32468	Defined_Atom_Stereo_Count	0
12210218	Total_Formal_Charge	0
529	Defined_Atom_Stereo_Count	0
18591	Structure_Complexity	46
16003	Isotope_Atom_Count	0
1471775	Mono_Isotopic_Weight	396.12561169
20849290	Structure_Complexity	154
515	Covalent_Unit_Count	1
10800	TPSA	112
6328685	Undefined_Atom_Stereo_Count	0
44629592	Rotatable_Bond_Count	14
542335	Rotatable_Bond_Count	3
22878123	Mono_Isotopic_Weight	292.18858861
67320864	Isotope_Atom_Count	0
85989631	Isotope_Atom_Count	0
3017698	Non-hydrogen_Atom_Count	17
12270637	Hydrogen_Bond_Acceptor_Count	2
11717025	Structure_Complexity	451
6419984	Defined_Atom_Stereo_Count	2
429734	Isotope_Atom_Count	0
25076512	Defined_Bond_Stereo_Count	0
56665390	Defined_Bond_Stereo_Count	0
139031455	Mono_Isotopic_Weight	553.03823343
65757	Hydrogen_Bond_Donor_Count	0
2733245	Undefined_Atom_Stereo_Count	0
6971042	Covalent_Unit_Count	1
60478	Exact_Mass	312.0665554
194953	Hydrogen_Bond_Donor_Count	3
15981895	Isotope_Atom_Count	0
173612	Rotatable_Bond_Count	5
441278	Defined_Atom_Stereo_Count	3
3372845	Covalent_Unit_Count	1
19883347	Defined_Atom_Stereo_Count	0
25019940	Covalent_Unit_Count	1
44426760	Total_Formal_Charge	0
105026	Undefined_Bond_Stereo_Count	0
54693468	Rotatable_Bond_Count	2
20082658	Undefined_Atom_Stereo_Count	1
429342	Exact_Mass	253.99156
643786	Defined_Bond_Stereo_Count	2
102213	Defined_Bond_Stereo_Count	0
14660779	Isotope_Atom_Count	0
163659459	Isotope_Atom_Count	0
15513	Rotatable_Bond_Count	3
521207	Structure_Complexity	323
297618	Undefined_Atom_Stereo_Count	2
10493732	Rotatable_Bond_Count	9
10351092	Non-hydrogen_Atom_Count	74
22594079	Hydrogen_Bond_Acceptor_Count	3
69532978	Mono_Isotopic_Weight	115.063328530
99057	Isotope_Atom_Count	0
25137873	Isotope_Atom_Count	0
11380778	Total_Formal_Charge	0
74857	Tautomer_Count	1
12579106	Structure_Complexity	77.4
66093	Rotatable_Bond_Count	4
33938	Exact_Mass	212.120115130
23663418	Non-hydrogen_Atom_Count	23
50942697	Structure_Complexity	710
9989237	Structure_Complexity	68.3
9795	Defined_Bond_Stereo_Count	0
4538	Total_Formal_Charge	0
6996	Covalent_Unit_Count	1
23672566	Covalent_Unit_Count	2
60208760	Defined_Bond_Stereo_Count	0
18521	Defined_Bond_Stereo_Count	0
16083167	Undefined_Bond_Stereo_Count	0
82343	Rotatable_Bond_Count	6
129689385	Exact_Mass	156.0481910
53904133	XLogP3-AA	0.2
5357402	Structure_Complexity	202
6421834	Isotope_Atom_Count	0
1194	TPSA	49.7
2800	Exact_Mass	405.1859422
517304	Exact_Mass	768.36893846
9941306	Defined_Atom_Stereo_Count	9
11115032	Hydrogen_Bond_Donor_Count	14
643981	Defined_Bond_Stereo_Count	0
15739357	Structure_Complexity	206
21466942	Hydrogen_Bond_Donor_Count	3
12001	Exact_Mass	132.05349212
11908451	TPSA	190
12023	Hydrogen_Bond_Donor_Count	1
70500258	Undefined_Atom_Stereo_Count	1
135445749	Mono_Isotopic_Weight	503.15052004
1265	Isotope_Atom_Count	0
8881	Hydrogen_Bond_Acceptor_Count	0
15940571	Exact_Mass	489.27265258
6850744	Covalent_Unit_Count	1
44154493	Non-hydrogen_Atom_Count	30
105035	Tautomer_Count	5
3073200	Exact_Mass	246.05282342
3916406	Mono_Isotopic_Weight	196.04840674
53803	Total_Formal_Charge	0
65902	Molecular_Weight	512.6
478951	Total_Formal_Charge	0
14402033	Rotatable_Bond_Count	1
5401	Undefined_Bond_Stereo_Count	0
240	Defined_Atom_Stereo_Count	0
1028	Covalent_Unit_Count	1
90628	Structure_Complexity	141
75322	Undefined_Atom_Stereo_Count	0
67085	Hydrogen_Bond_Acceptor_Count	2
22784	Defined_Atom_Stereo_Count	0
48918	Hydrogen_Bond_Acceptor_Count	3
18445434	Isotope_Atom_Count	0
10192563	Tautomer_Count	1
118924468	Rotatable_Bond_Count	1
230995	TPSA	26.3
59059041	Defined_Bond_Stereo_Count	0
164533	Tautomer_Count	2
56627	Hydrogen_Bond_Acceptor_Count	8
53606	Undefined_Atom_Stereo_Count	1
88051007	Defined_Bond_Stereo_Count	0
3654	Structure_Complexity	413
24642	Undefined_Atom_Stereo_Count	0
46693	Defined_Atom_Stereo_Count	0
57575	TPSA	111
18719616	Undefined_Bond_Stereo_Count	0
3440	Total_Formal_Charge	0
90451	Molecular_Weight	115.13
14266	Hydrogen_Bond_Donor_Count	0
10841	Defined_Atom_Stereo_Count	0
24868320	Hydrogen_Bond_Acceptor_Count	7
19911136	Covalent_Unit_Count	1
92922	Undefined_Atom_Stereo_Count	0
45357888	Undefined_Bond_Stereo_Count	0
69052440	Total_Formal_Charge	0
11029805	Isotope_Atom_Count	0
6918123	Isotope_Atom_Count	0
656667	Mono_Isotopic_Weight	541.1979634
25001002	Undefined_Atom_Stereo_Count	0
6373	Undefined_Bond_Stereo_Count	0
134692352	Hydrogen_Bond_Donor_Count	3
71332025	Total_Formal_Charge	0
23675081	Tautomer_Count	11
9961192	Total_Formal_Charge	0
380929	Total_Formal_Charge	0
12028	Undefined_Atom_Stereo_Count	0
5650	Undefined_Bond_Stereo_Count	0
90078292	Defined_Atom_Stereo_Count	0
5371102	TPSA	46.5
69722	Molecular_Weight	192.19
69571381	Exact_Mass	114.031694049
148816436	Molecular_Weight	112.17
79811	Defined_Atom_Stereo_Count	0
17933153	Hydrogen_Bond_Acceptor_Count	4
12295224	Total_Formal_Charge	0
130152397	Hydrogen_Bond_Acceptor_Count	2
75306	Undefined_Atom_Stereo_Count	0
10034577	Defined_Bond_Stereo_Count	0
9141	Undefined_Atom_Stereo_Count	0
53981464	Undefined_Bond_Stereo_Count	0
442530	Molecular_Weight	403.8
134973	TPSA	15.3
126969097	Structure_Complexity	1390
123676075	Isotope_Atom_Count	0
18710462	Hydrogen_Bond_Acceptor_Count	0
164179927	Hydrogen_Bond_Donor_Count	4
123658	Covalent_Unit_Count	1
30489	TPSA	3.2
101870	Defined_Atom_Stereo_Count	0
19784	Total_Formal_Charge	0
122087	TPSA	46.2
4403	Mono_Isotopic_Weight	361.07873486
52948843	Structure_Complexity	429
25137870	TPSA	51.6
89742272	Isotope_Atom_Count	0
11662332	Rotatable_Bond_Count	8
57077346	Mono_Isotopic_Weight	105.032697108
17977495	Molecular_Weight	92.03
9265	Undefined_Atom_Stereo_Count	0
247929	Tautomer_Count	9
55286629	Mono_Isotopic_Weight	96.068748264
129694674	Molecular_Weight	166.2
475825	Structure_Complexity	816
68023775	XLogP3-AA	1
544588	Covalent_Unit_Count	1
136102	Non-hydrogen_Atom_Count	9
20708	Mono_Isotopic_Weight	291.2692779
4561	Molecular_Weight	518.8
6059187	Isotope_Atom_Count	0
34367	Hydrogen_Bond_Acceptor_Count	2
61553086	Exact_Mass	118.099379685
69644	Defined_Bond_Stereo_Count	0
82479	Defined_Bond_Stereo_Count	0
8638	Undefined_Bond_Stereo_Count	0
11654876	Rotatable_Bond_Count	7
4518	Total_Formal_Charge	0
18962468	Undefined_Bond_Stereo_Count	0
136726	Defined_Bond_Stereo_Count	0
10492	Tautomer_Count	1
93843	Undefined_Bond_Stereo_Count	0
123648	Mono_Isotopic_Weight	198.99392881
129628202	Structure_Complexity	1040
42438	Covalent_Unit_Count	1
829	Non-hydrogen_Atom_Count	8
14300	Isotope_Atom_Count	0
4961971	Hydrogen_Bond_Donor_Count	2
19028568	Isotope_Atom_Count	0
14815775	Exact_Mass	111.068413911
87823	Defined_Bond_Stereo_Count	0
67374618	Defined_Bond_Stereo_Count	0
75322	Defined_Atom_Stereo_Count	0
72790	Hydrogen_Bond_Acceptor_Count	4
65108	Structure_Complexity	274
4427	Non-hydrogen_Atom_Count	21
12673114	TPSA	20.2
42006	Total_Formal_Charge	0
76442017	Exact_Mass	114.068079557
12895043	Covalent_Unit_Count	1
39628	Tautomer_Count	1
6537499	Exact_Mass	616.36113323
77912	Structure_Complexity	261
54267	Rotatable_Bond_Count	2
86388	TPSA	70.3
14872976	XLogP3-AA	0.9
12431621	Structure_Complexity	55
5323977	Structure_Complexity	152
135463451	TPSA	153
43966	Rotatable_Bond_Count	4
13092476	Non-hydrogen_Atom_Count	8
13761354	Undefined_Atom_Stereo_Count	1
551428	Non-hydrogen_Atom_Count	8
5172	Rotatable_Bond_Count	4
314282	Rotatable_Bond_Count	1
14454	Hydrogen_Bond_Acceptor_Count	1
68432538	Undefined_Bond_Stereo_Count	1
2762	TPSA	88.4
15123308	Undefined_Bond_Stereo_Count	0
92722	Isotope_Atom_Count	0
17864	XLogP3-AA	1
28230148	Isotope_Atom_Count	0
13710589	Undefined_Bond_Stereo_Count	0
12228	Undefined_Bond_Stereo_Count	0
227430	Undefined_Bond_Stereo_Count	0
923480	Structure_Complexity	352
16051586	Molecular_Weight	394.5
13848133	Hydrogen_Bond_Acceptor_Count	1
73306	Undefined_Atom_Stereo_Count	0
53435617	Molecular_Weight	290.3
10347891	Total_Formal_Charge	0
11651149	Molecular_Weight	71.12
182677	Covalent_Unit_Count	1
186	Structure_Complexity	133
8370	Exact_Mass	283.810166
21527	Non-hydrogen_Atom_Count	11
12302694	Structure_Complexity	382
56672298	Structure_Complexity	680
22382373	Defined_Atom_Stereo_Count	0
147556052	Undefined_Bond_Stereo_Count	0
75306	Defined_Atom_Stereo_Count	0
725	Structure_Complexity	110
14709	Mono_Isotopic_Weight	330.21949481
102059952	Hydrogen_Bond_Donor_Count	3
72200673	Undefined_Bond_Stereo_Count	0
23077956	Structure_Complexity	142
25271901	Undefined_Bond_Stereo_Count	0
67643	Non-hydrogen_Atom_Count	25
2803	Tautomer_Count	2
246511	Molecular_Weight	271.35
57750364	Undefined_Atom_Stereo_Count	1
5884629	Rotatable_Bond_Count	13
23158380	Exact_Mass	116.083729621
54758309	Undefined_Bond_Stereo_Count	0
60396	Rotatable_Bond_Count	2
13691769	Mono_Isotopic_Weight	188.03342538
7757	Non-hydrogen_Atom_Count	8
53808	Structure_Complexity	300
454	Hydrogen_Bond_Acceptor_Count	1
69342109	Non-hydrogen_Atom_Count	8
37631	Rotatable_Bond_Count	0
32801	TPSA	40.5
3641960	Undefined_Atom_Stereo_Count	0
153308419	Hydrogen_Bond_Acceptor_Count	3
15024257	Hydrogen_Bond_Acceptor_Count	3
46861612	TPSA	54
197127	Covalent_Unit_Count	1
11137142	Exact_Mass	117.0009064
7827	Undefined_Atom_Stereo_Count	0
589692	TPSA	51.6
69245	Tautomer_Count	1
25020797	TPSA	76.4
37825	Structure_Complexity	441
11523	Isotope_Atom_Count	0
90894106	Hydrogen_Bond_Donor_Count	3
21672	XLogP3	5.5
24802109	Mono_Isotopic_Weight	310.1811912
18934502	Molecular_Weight	84.12
12701401	Exact_Mass	112.088815002
7642	Exact_Mass	412.35526001
12021	Mono_Isotopic_Weight	90.031694049
441073	Hydrogen_Bond_Acceptor_Count	4
147097491	Hydrogen_Bond_Donor_Count	0
121732	Covalent_Unit_Count	1
21679899	Isotope_Atom_Count	0
69885	XLogP3-AA	3
17424	Tautomer_Count	1
32247	XLogP3-AA	4.4
5388961	Structure_Complexity	638
73755062	Undefined_Bond_Stereo_Count	0
118513932	Covalent_Unit_Count	1
498716	Undefined_Bond_Stereo_Count	0
16129688	Isotope_Atom_Count	0
17355	Molecular_Weight	148.20
521300	Undefined_Atom_Stereo_Count	0
528166	Exact_Mass	94.078250319
13641	Hydrogen_Bond_Acceptor_Count	4
17017	Rotatable_Bond_Count	3
220878	Non-hydrogen_Atom_Count	7
2771758	Mono_Isotopic_Weight	162.042927438
141080616	Defined_Atom_Stereo_Count	0
107169	Isotope_Atom_Count	0
439243	Rotatable_Bond_Count	12
590836	Hydrogen_Bond_Donor_Count	0
53846430	Defined_Atom_Stereo_Count	4
56675795	Isotope_Atom_Count	0
71663312	Mono_Isotopic_Weight	540.1728319
10400	Undefined_Bond_Stereo_Count	0
16663248	Isotope_Atom_Count	0
87689	Hydrogen_Bond_Donor_Count	0
237766	Hydrogen_Bond_Donor_Count	0
22575031	Molecular_Weight	114.10
5574	Total_Formal_Charge	0
179822	TPSA	60.2
68284	Rotatable_Bond_Count	1
106219	Hydrogen_Bond_Donor_Count	0
7957	Isotope_Atom_Count	0
14307964	Undefined_Atom_Stereo_Count	1
1498	Molecular_Weight	327.4
234105	Structure_Complexity	724
23668194	Non-hydrogen_Atom_Count	30
24436	Tautomer_Count	1
87064	Exact_Mass	195.162314293
18712663	Covalent_Unit_Count	1
13624608	Hydrogen_Bond_Donor_Count	1
20055408	Undefined_Atom_Stereo_Count	0
16051933	Hydrogen_Bond_Acceptor_Count	15
465951	Molecular_Weight	353.4
9893	Covalent_Unit_Count	1
3784	Tautomer_Count	5
17898580	Non-hydrogen_Atom_Count	7
151726	Undefined_Bond_Stereo_Count	0
709612	Undefined_Atom_Stereo_Count	0
21940	Isotope_Atom_Count	0
6258	Isotope_Atom_Count	0
59277826	Defined_Bond_Stereo_Count	0
10419	Mono_Isotopic_Weight	54.0469501914
125564	Mono_Isotopic_Weight	367.24237613
520305	Defined_Atom_Stereo_Count	0
89621	Total_Formal_Charge	0
76857	Rotatable_Bond_Count	1
228987	Non-hydrogen_Atom_Count	15
131750190	Molecular_Weight	1674.8
4888	TPSA	59.4
402035	Mono_Isotopic_Weight	528.06986
170359	TPSA	54
53699081	Covalent_Unit_Count	1
44249711	Mono_Isotopic_Weight	114.068079557
3352	Hydrogen_Bond_Donor_Count	1
38464	Mono_Isotopic_Weight	265.1000197
24866867	Covalent_Unit_Count	1
111026	Tautomer_Count	1
135471308	Structure_Complexity	257
50295	Hydrogen_Bond_Donor_Count	0
7527	Hydrogen_Bond_Acceptor_Count	1
84975	Undefined_Atom_Stereo_Count	0
116863532	Structure_Complexity	96.6
295764	Isotope_Atom_Count	0
91895876	Hydrogen_Bond_Donor_Count	1
16772299	Exact_Mass	99.104799419
8086	Hydrogen_Bond_Acceptor_Count	3
439178	Defined_Bond_Stereo_Count	0
129636415	Total_Formal_Charge	0
224167	Non-hydrogen_Atom_Count	21
25203400	Total_Formal_Charge	1
14421	Undefined_Bond_Stereo_Count	0
62414	Total_Formal_Charge	0
132201306	Exact_Mass	1201.84136802
3033943	Non-hydrogen_Atom_Count	32
9547928	Molecular_Weight	673.9
55298920	TPSA	29.1
9962911	Mono_Isotopic_Weight	908.38775915
21249654	Defined_Atom_Stereo_Count	0
535870	Undefined_Bond_Stereo_Count	0
57401296	Structure_Complexity	614
63834	Structure_Complexity	608
12096001	Structure_Complexity	688
162883451	Total_Formal_Charge	0
101181995	Rotatable_Bond_Count	6
24871512	Rotatable_Bond_Count	3
11927	Total_Formal_Charge	0
68629	Exact_Mass	266.0644474
43424	Defined_Bond_Stereo_Count	0
18728307	Covalent_Unit_Count	1
69528681	Total_Formal_Charge	0
5564	Molecular_Weight	289.5
24978536	Undefined_Atom_Stereo_Count	0
160440	Covalent_Unit_Count	1
290223	Mono_Isotopic_Weight	196.06703418
3690	Defined_Bond_Stereo_Count	0
85673900	Mono_Isotopic_Weight	98.084398327
45117282	Isotope_Atom_Count	0
12271341	TPSA	12.5
23458177	TPSA	53.2
9800972	Rotatable_Bond_Count	10
90390	Rotatable_Bond_Count	2
11679800	Tautomer_Count	1
290	Hydrogen_Bond_Donor_Count	6
130250598	Total_Formal_Charge	0
134735	TPSA	9.2
177120	Covalent_Unit_Count	1
12186	Structure_Complexity	50.3
10126299	Isotope_Atom_Count	0
9964258	Non-hydrogen_Atom_Count	12
80045	Hydrogen_Bond_Acceptor_Count	2
10066	Mono_Isotopic_Weight	361.875716
50262	XLogP3-AA	1
24984	Tautomer_Count	1
10401	Hydrogen_Bond_Acceptor_Count	2
84647594	Non-hydrogen_Atom_Count	6
129679806	Undefined_Bond_Stereo_Count	0
67678	Defined_Bond_Stereo_Count	0
13551761	Total_Formal_Charge	0
25124826	Undefined_Bond_Stereo_Count	0
12830097	Isotope_Atom_Count	0
90038	Structure_Complexity	167
6917951	Hydrogen_Bond_Acceptor_Count	5
672	Exact_Mass	326.12263431
17963315	XLogP3-AA	4.7
44474	Undefined_Atom_Stereo_Count	2
19838	Hydrogen_Bond_Donor_Count	0
77232	Structure_Complexity	85.7
129653817	Exact_Mass	134.080169959
7175	Molecular_Weight	180.20
38040	Exact_Mass	291.919411
7907	Total_Formal_Charge	0
276224	Defined_Bond_Stereo_Count	0
12302648	Total_Formal_Charge	0
662986	Covalent_Unit_Count	1
4122	Defined_Bond_Stereo_Count	0
71245288	Isotope_Atom_Count	0
2447	Isotope_Atom_Count	0
71356554	Defined_Bond_Stereo_Count	0
2764874	Exact_Mass	264.07103389
1740	XLogP3-AA	0.4
57401865	Total_Formal_Charge	0
46235922	Molecular_Weight	486.6
440192	Mono_Isotopic_Weight	206.094294304
8902	Undefined_Atom_Stereo_Count	0
12245594	Undefined_Bond_Stereo_Count	0
5509	Defined_Atom_Stereo_Count	0
336423	Molecular_Weight	386.5
84481	Defined_Bond_Stereo_Count	0
71651624	Molecular_Weight	97.12
91612585	Undefined_Bond_Stereo_Count	0
135643052	Hydrogen_Bond_Acceptor_Count	5
21030991	TPSA	56
35087	Covalent_Unit_Count	1
30545	Non-hydrogen_Atom_Count	21
14566517	Rotatable_Bond_Count	0
66603768	Defined_Atom_Stereo_Count	2
13440628	Mono_Isotopic_Weight	115.063328530
275510	Molecular_Weight	647.9
5288573	Mono_Isotopic_Weight	220.07355886
87931798	Mono_Isotopic_Weight	115.063328530
162014	Defined_Bond_Stereo_Count	0
12832575	Undefined_Atom_Stereo_Count	2
12303424	TPSA	58.6
16669	Molecular_Weight	204.31
15950085	Non-hydrogen_Atom_Count	31
82145	Defined_Atom_Stereo_Count	0
189563	Molecular_Weight	405.4
68921	Defined_Atom_Stereo_Count	7
2723706	Structure_Complexity	173
5232201	Isotope_Atom_Count	0
70684314	Undefined_Atom_Stereo_Count	0
37461	Hydrogen_Bond_Donor_Count	1
45095	Structure_Complexity	367
522	Covalent_Unit_Count	1
9871	Non-hydrogen_Atom_Count	7
11076461	Non-hydrogen_Atom_Count	11
6994776	Defined_Atom_Stereo_Count	0
6262	Defined_Atom_Stereo_Count	1
136121	Non-hydrogen_Atom_Count	6
1312	Defined_Bond_Stereo_Count	0
182585	Non-hydrogen_Atom_Count	28
4189	Exact_Mass	415.983074
40537366	Rotatable_Bond_Count	6
446576	Covalent_Unit_Count	1
398661	Undefined_Bond_Stereo_Count	0
242493	Isotope_Atom_Count	0
11293303	Structure_Complexity	607
6918925	Undefined_Bond_Stereo_Count	0
71717	Covalent_Unit_Count	1
524640	Isotope_Atom_Count	0
151707353	Total_Formal_Charge	0
5361090	Hydrogen_Bond_Acceptor_Count	3
31263	Rotatable_Bond_Count	4
3416433	XLogP3-AA	2.1
103564347	XLogP3-AA	1.6
54558427	TPSA	46.5
78137849	Total_Formal_Charge	0
85104	Tautomer_Count	3
66908	Covalent_Unit_Count	1
65802	TPSA	87.2
928367	Rotatable_Bond_Count	0
546078	XLogP3-AA	0.3
5997	Mono_Isotopic_Weight	386.354866087
7156900	Defined_Bond_Stereo_Count	0
20234583	TPSA	20.2
59034276	Exact_Mass	180.06338810
77574	Covalent_Unit_Count	1
5480	Defined_Atom_Stereo_Count	0
126894	Isotope_Atom_Count	0
12590456	Hydrogen_Bond_Donor_Count	1
57548589	Total_Formal_Charge	0
36274	Defined_Atom_Stereo_Count	0
66909	Molecular_Weight	262.33
12349940	Hydrogen_Bond_Donor_Count	0
119095542	Total_Formal_Charge	0
11582651	Undefined_Atom_Stereo_Count	0
3532561	Non-hydrogen_Atom_Count	6
163050678	Mono_Isotopic_Weight	284.16237386
71764	Molecular_Weight	425.9
118161592	Defined_Bond_Stereo_Count	0
349711	Undefined_Atom_Stereo_Count	0
118574	Defined_Atom_Stereo_Count	0
6437356	Defined_Atom_Stereo_Count	0
46783795	Defined_Atom_Stereo_Count	8
12550422	Defined_Bond_Stereo_Count	0
5536	Mono_Isotopic_Weight	310.14163842
23533306	Undefined_Bond_Stereo_Count	0
46205408	Molecular_Weight	599.7
522996	Total_Formal_Charge	0
57515833	XLogP3-AA	2
5364448	Defined_Atom_Stereo_Count	0
91688	Defined_Atom_Stereo_Count	0
9819043	Undefined_Bond_Stereo_Count	0
67375395	Structure_Complexity	568
7777	Rotatable_Bond_Count	6
5281034	Isotope_Atom_Count	0
7482	Covalent_Unit_Count	1
10111264	Exact_Mass	394.0832680
56668818	Defined_Bond_Stereo_Count	0
725300	Non-hydrogen_Atom_Count	20
69982	Defined_Atom_Stereo_Count	0
13398	Defined_Atom_Stereo_Count	0
89487	TPSA	20.2
157641	Structure_Complexity	120
23332	Structure_Complexity	604
39521	Undefined_Bond_Stereo_Count	0
26362	TPSA	25.8
44570343	Total_Formal_Charge	0
55286536	Exact_Mass	113.058911855
85743571	Undefined_Bond_Stereo_Count	0
814155	Rotatable_Bond_Count	5
56928166	Undefined_Atom_Stereo_Count	2
67085	Undefined_Bond_Stereo_Count	0
36687804	Undefined_Bond_Stereo_Count	0
13619	Exact_Mass	195.924948
5905	Hydrogen_Bond_Acceptor_Count	5
66573	Exact_Mass	240.089877630
122004	Exact_Mass	125.058911855
9956726	Hydrogen_Bond_Acceptor_Count	9
84106835	Rotatable_Bond_Count	0
147543335	Mono_Isotopic_Weight	97.089149355
73072210	Mono_Isotopic_Weight	412.370516150
5702132	Mono_Isotopic_Weight	277.07324176
7047	Structure_Complexity	111
9819	Defined_Bond_Stereo_Count	0
5372194	Covalent_Unit_Count	1
61953	XLogP3-AA	3
13451951	Hydrogen_Bond_Donor_Count	0
20977	XLogP3-AA	0.5
29696	Hydrogen_Bond_Acceptor_Count	3
72429	Defined_Atom_Stereo_Count	3
6067	Defined_Bond_Stereo_Count	0
54180637	Defined_Bond_Stereo_Count	0
16119086	TPSA	32.3
7159	Mono_Isotopic_Weight	235.95366166
5773	Hydrogen_Bond_Acceptor_Count	6
6552009	Total_Formal_Charge	0
10654175	Mono_Isotopic_Weight	97.052763847
28932	Undefined_Bond_Stereo_Count	0
39238	Isotope_Atom_Count	0
13244490	Undefined_Atom_Stereo_Count	0
47	Covalent_Unit_Count	1
8405	Mono_Isotopic_Weight	129.057849228
46218908	Covalent_Unit_Count	1
11180	Hydrogen_Bond_Donor_Count	0
2797779	Non-hydrogen_Atom_Count	8
23403	Molecular_Weight	294.5
4494	Total_Formal_Charge	0
739	TPSA	116
2734181	Exact_Mass	251.1468424
17171354	TPSA	41.1
234735	Total_Formal_Charge	0
219023	Hydrogen_Bond_Donor_Count	1
749	Hydrogen_Bond_Donor_Count	8
54587759	Covalent_Unit_Count	1
13205839	TPSA	29
66684067	Undefined_Atom_Stereo_Count	1
57400482	Hydrogen_Bond_Acceptor_Count	6
5083	Undefined_Atom_Stereo_Count	0
134715456	Structure_Complexity	639
19736124	TPSA	41.5
55290327	Mono_Isotopic_Weight	87.068413911
16197725	Undefined_Atom_Stereo_Count	0
721456	TPSA	67.4
167845	Total_Formal_Charge	0
168871	Total_Formal_Charge	0
57656833	Isotope_Atom_Count	0
24229456	TPSA	49.8
51	Hydrogen_Bond_Acceptor_Count	5
70691388	Mono_Isotopic_Weight	3946.9206749
21539078	Structure_Complexity	61.2
7067359	Isotope_Atom_Count	0
77338	Undefined_Bond_Stereo_Count	0
21666609	Total_Formal_Charge	0
5464097	Exact_Mass	402.21547206
119093923	Defined_Bond_Stereo_Count	0
3110	Undefined_Atom_Stereo_Count	0
53731118	Hydrogen_Bond_Acceptor_Count	1
156617849	Isotope_Atom_Count	0
9955951	Molecular_Weight	461.5
4735	Exact_Mass	340.18992602
9549904	Hydrogen_Bond_Donor_Count	7
5002	Rotatable_Bond_Count	6
40476	Non-hydrogen_Atom_Count	19
21943994	TPSA	185
11815299	Structure_Complexity	32.9
61303	Undefined_Atom_Stereo_Count	0
122820	Defined_Bond_Stereo_Count	0
13123887	Total_Formal_Charge	0
8831	XLogP3-AA	3.2
12643154	Undefined_Bond_Stereo_Count	0
97456	XLogP3-AA	4.5
4042	XLogP3	4.1
21929	Total_Formal_Charge	0
1396	Undefined_Bond_Stereo_Count	0
5486204	Hydrogen_Bond_Donor_Count	0
145520	Total_Formal_Charge	0
432760	Defined_Bond_Stereo_Count	0
12735590	Exact_Mass	110.036779430
42552713	Exact_Mass	342.11621151
102470202	Hydrogen_Bond_Donor_Count	9
135564558	Mono_Isotopic_Weight	395.20697307
11517146	XLogP3-AA	4.3
9929785	Hydrogen_Bond_Acceptor_Count	3
46204764	TPSA	126
160692	Exact_Mass	251.094628657
16667711	Covalent_Unit_Count	1
67885	Mono_Isotopic_Weight	208.99114725
83883	Mono_Isotopic_Weight	313.13728131
45934481	Isotope_Atom_Count	0
529287	Mono_Isotopic_Weight	110.109550447
123554527	TPSA	25.8
156618055	Undefined_Atom_Stereo_Count	0
83645	Rotatable_Bond_Count	10
687818	Hydrogen_Bond_Donor_Count	2
20250	Molecular_Weight	223.5
91822	Undefined_Bond_Stereo_Count	0
138975	Molecular_Weight	194.19
51049440	XLogP3-AA	0.6
2999413	Non-hydrogen_Atom_Count	23
135460621	TPSA	146
122130461	Defined_Atom_Stereo_Count	1
9601	Total_Formal_Charge	0
9953887	Isotope_Atom_Count	0
53846435	Non-hydrogen_Atom_Count	30
257	Total_Formal_Charge	0
44417326	Hydrogen_Bond_Donor_Count	3
14325611	Mono_Isotopic_Weight	105.078978594
11809740	Hydrogen_Bond_Donor_Count	0
20250	Structure_Complexity	172
25253556	Tautomer_Count	2
5353830	Total_Formal_Charge	0
18717626	Undefined_Atom_Stereo_Count	0
135474265	Tautomer_Count	3
5251857	Rotatable_Bond_Count	2
56945145	Undefined_Bond_Stereo_Count	0
83952	Isotope_Atom_Count	0
322	TPSA	57.5
10657742	Structure_Complexity	315
439750	Hydrogen_Bond_Donor_Count	2
45116623	Non-hydrogen_Atom_Count	7
13244490	Defined_Atom_Stereo_Count	0
129626607	Non-hydrogen_Atom_Count	14
6327116	Mono_Isotopic_Weight	141.01054143
89264894	Hydrogen_Bond_Acceptor_Count	2
10486501	Rotatable_Bond_Count	15
167253	Undefined_Atom_Stereo_Count	0
9547	Mono_Isotopic_Weight	174.141993387
68675439	Hydrogen_Bond_Donor_Count	1
6338	Hydrogen_Bond_Acceptor_Count	0
13168503	Exact_Mass	123.99254563
56993535	Rotatable_Bond_Count	1
8249	Rotatable_Bond_Count	4
37844	Rotatable_Bond_Count	6
18980946	Structure_Complexity	91.9
117326	Exact_Mass	103.099714038
656597	Mono_Isotopic_Weight	383.10961
25195496	Total_Formal_Charge	0
123117	Isotope_Atom_Count	0
11100989	Defined_Atom_Stereo_Count	0
87474167	Hydrogen_Bond_Donor_Count	1
102069	Exact_Mass	422.272199093
19354533	Covalent_Unit_Count	1
267493	Exact_Mass	259.05930578
19649	TPSA	336
86671471	Structure_Complexity	40.7
53507	XLogP3	3.9
448011	Undefined_Bond_Stereo_Count	0
138891	Structure_Complexity	70.1
142901	Mono_Isotopic_Weight	110.073164938
16070030	Rotatable_Bond_Count	0
69690	Hydrogen_Bond_Donor_Count	0
47884	Defined_Atom_Stereo_Count	0
90779122	Undefined_Bond_Stereo_Count	0
78493	XLogP3-AA	2.1
24410	Undefined_Bond_Stereo_Count	0
162117	Total_Formal_Charge	0
75081	Defined_Bond_Stereo_Count	0
108108	Defined_Bond_Stereo_Count	0
11281445	Total_Formal_Charge	0
122553	Structure_Complexity	372
12582	Tautomer_Count	1
91301938	TPSA	26.3
34949	Molecular_Weight	304.6
6866	Exact_Mass	196.9799046
70678896	Hydrogen_Bond_Acceptor_Count	18
89602862	Defined_Bond_Stereo_Count	0
100933147	Mono_Isotopic_Weight	748.38813582
5497163	Isotope_Atom_Count	0
87901	Hydrogen_Bond_Acceptor_Count	6
121025	Non-hydrogen_Atom_Count	14
89578803	Rotatable_Bond_Count	0
73513	Isotope_Atom_Count	0
13052471	Covalent_Unit_Count	1
8998	Mono_Isotopic_Weight	122.05790880
68127236	Structure_Complexity	157
87748	Undefined_Atom_Stereo_Count	0
53806232	Undefined_Bond_Stereo_Count	1
613589	Covalent_Unit_Count	1
439280	Exact_Mass	220.08479225
129638548	Total_Formal_Charge	0
2202	Total_Formal_Charge	0
107992	Tautomer_Count	1
616236	Tautomer_Count	12
162883452	Non-hydrogen_Atom_Count	36
68539	Isotope_Atom_Count	0
10247670	Hydrogen_Bond_Donor_Count	1
15197399	Hydrogen_Bond_Donor_Count	1
61718	Hydrogen_Bond_Donor_Count	0
53319739	Covalent_Unit_Count	1
10224595	Undefined_Atom_Stereo_Count	0
84590	Undefined_Atom_Stereo_Count	0
5330196	Defined_Atom_Stereo_Count	0
2910	Structure_Complexity	758
7400	Hydrogen_Bond_Acceptor_Count	3
59058905	Hydrogen_Bond_Donor_Count	0
76619	Hydrogen_Bond_Acceptor_Count	2
23545756	Structure_Complexity	78.1
12534276	Defined_Bond_Stereo_Count	0
79036	Isotope_Atom_Count	0
67422305	TPSA	12
13927605	Non-hydrogen_Atom_Count	6
130956	Defined_Bond_Stereo_Count	0
551	Isotope_Atom_Count	0
69110	Hydrogen_Bond_Donor_Count	0
2021	Undefined_Bond_Stereo_Count	0
5245480	Undefined_Bond_Stereo_Count	0
398646	Exact_Mass	226.21574685
143289	Defined_Bond_Stereo_Count	0
10756746	Hydrogen_Bond_Acceptor_Count	6
29385	Hydrogen_Bond_Donor_Count	0
129829002	Rotatable_Bond_Count	0
10400	Structure_Complexity	76.4
10329273	Rotatable_Bond_Count	0
9376	Rotatable_Bond_Count	5
3922	Total_Formal_Charge	0
12559	Exact_Mass	1017.73277158
118916	TPSA	127
9026	Hydrogen_Bond_Donor_Count	1
5282402	Mono_Isotopic_Weight	373.1444713
12285879	Hydrogen_Bond_Acceptor_Count	6
9887053	Non-hydrogen_Atom_Count	15
86296	Mono_Isotopic_Weight	223.110947427
141508	Undefined_Atom_Stereo_Count	2
53743621	Hydrogen_Bond_Acceptor_Count	2
9596	Rotatable_Bond_Count	2
11979781	Rotatable_Bond_Count	22
448055	Exact_Mass	275.15214353
10309114	Hydrogen_Bond_Donor_Count	2
71302984	Defined_Atom_Stereo_Count	0
160534	Defined_Bond_Stereo_Count	0
6857	Defined_Bond_Stereo_Count	0
9915039	Exact_Mass	532.1796670
97120	Undefined_Bond_Stereo_Count	0
78739	Isotope_Atom_Count	0
136430	Defined_Atom_Stereo_Count	0
58853091	Exact_Mass	100.088815002
88958947	Isotope_Atom_Count	0
60196367	Non-hydrogen_Atom_Count	31
92043179	Covalent_Unit_Count	2
11719407	Mono_Isotopic_Weight	452.1403890
135968625	Mono_Isotopic_Weight	876.45207349
69912	TPSA	43.1
135435111	Defined_Atom_Stereo_Count	4
688093	Defined_Bond_Stereo_Count	0
6083100	Rotatable_Bond_Count	2
24972883	Defined_Bond_Stereo_Count	0
11778544	Undefined_Atom_Stereo_Count	0
59185552	Total_Formal_Charge	0
138076	Structure_Complexity	60.1
14027329	Undefined_Bond_Stereo_Count	0
137348308	Hydrogen_Bond_Donor_Count	1
62870	Undefined_Bond_Stereo_Count	0
12892785	Structure_Complexity	101
117291	Hydrogen_Bond_Acceptor_Count	4
10548	Defined_Atom_Stereo_Count	0
8936	Defined_Bond_Stereo_Count	0
9402	Undefined_Atom_Stereo_Count	7
13600041	XLogP3-AA	1.6
1155	TPSA	58.9
13017912	Mono_Isotopic_Weight	560.27338086
137105	Undefined_Atom_Stereo_Count	0
75090	Non-hydrogen_Atom_Count	22
27562	Rotatable_Bond_Count	1
71312582	Exact_Mass	1264.0493678
115149	Exact_Mass	586.16864101
447877	Undefined_Bond_Stereo_Count	0
10181729	Undefined_Bond_Stereo_Count	0
11527661	Non-hydrogen_Atom_Count	37
15561473	Non-hydrogen_Atom_Count	8
12732	Molecular_Weight	82.14
16051954	Covalent_Unit_Count	2
89317	Rotatable_Bond_Count	3
4438527	Hydrogen_Bond_Acceptor_Count	21
21359349	Hydrogen_Bond_Acceptor_Count	1
118193	Structure_Complexity	72.6
54434340	Undefined_Atom_Stereo_Count	0
21312986	Exact_Mass	112.063662883
11385	Exact_Mass	194.084398327
795	Structure_Complexity	28.1
606817	TPSA	135
71226662	Total_Formal_Charge	0
23695905	Exact_Mass	243.08713759
54581775	Structure_Complexity	488
557579	Undefined_Bond_Stereo_Count	0
160722	Covalent_Unit_Count	1
6918663	Hydrogen_Bond_Donor_Count	1
9696	Isotope_Atom_Count	0
721861	Non-hydrogen_Atom_Count	14
62775	Hydrogen_Bond_Donor_Count	0
6921821	Undefined_Bond_Stereo_Count	0
22288608	Mono_Isotopic_Weight	106.053098200
71721420	Non-hydrogen_Atom_Count	8
136648	Tautomer_Count	1
70789955	Total_Formal_Charge	0
67598	Hydrogen_Bond_Donor_Count	0
5353370	Structure_Complexity	236
135398508	Defined_Bond_Stereo_Count	0
49865494	Defined_Atom_Stereo_Count	0
15588	Covalent_Unit_Count	1
75786	TPSA	26.3
688323	Total_Formal_Charge	0
5890	Isotope_Atom_Count	0
4339838	Hydrogen_Bond_Donor_Count	0
44392124	Structure_Complexity	620
40470	XLogP3	6.7
320930	Total_Formal_Charge	0
151173	Total_Formal_Charge	0
5311333	TPSA	241
6182	Defined_Atom_Stereo_Count	0
45356886	Structure_Complexity	917
6950337	Rotatable_Bond_Count	2
8254	XLogP3-AA	0.1
143440	Rotatable_Bond_Count	3
71773445	TPSA	297
101609	Defined_Atom_Stereo_Count	4
83433	Covalent_Unit_Count	1
72784	Molecular_Weight	277.94
12082259	XLogP3-AA	4.3
54684141	Exact_Mass	270.06161202
9811353	Exact_Mass	862.34118563
54705095	Hydrogen_Bond_Acceptor_Count	11
53952576	Structure_Complexity	78
450484	Hydrogen_Bond_Acceptor_Count	6
123639879	Structure_Complexity	58.7
8271	Defined_Bond_Stereo_Count	0
11543746	XLogP3-AA	2.3
198382	Undefined_Bond_Stereo_Count	0
19935256	TPSA	78.1
5282547	Hydrogen_Bond_Donor_Count	1
122197250	Exact_Mass	447.26929854
57734486	Non-hydrogen_Atom_Count	24
13382	Undefined_Bond_Stereo_Count	0
49852403	Non-hydrogen_Atom_Count	91
11351021	Undefined_Bond_Stereo_Count	0
12285886	Non-hydrogen_Atom_Count	12
840260	Defined_Bond_Stereo_Count	0
3105	Undefined_Bond_Stereo_Count	0
25273215	Hydrogen_Bond_Acceptor_Count	4
58657603	Undefined_Atom_Stereo_Count	0
91195	TPSA	17.1
68790	Covalent_Unit_Count	1
15817396	Non-hydrogen_Atom_Count	8
16667730	Non-hydrogen_Atom_Count	58
13950368	Rotatable_Bond_Count	3
72390	Total_Formal_Charge	0
7403	Undefined_Atom_Stereo_Count	0
9504	Undefined_Bond_Stereo_Count	0
5205	Undefined_Bond_Stereo_Count	0
68718	Undefined_Atom_Stereo_Count	0
114129	Rotatable_Bond_Count	4
2772687	TPSA	34.9
25072741	Covalent_Unit_Count	1
79618	Hydrogen_Bond_Acceptor_Count	2
11629084	Structure_Complexity	1290
6604334	Defined_Atom_Stereo_Count	19
57390867	Defined_Bond_Stereo_Count	0
91439	Undefined_Bond_Stereo_Count	0
135484176	Rotatable_Bond_Count	17
544613	Structure_Complexity	98.7
5702068	Undefined_Atom_Stereo_Count	3
14012376	Mono_Isotopic_Weight	306.14806121
12556265	Exact_Mass	100.052429494
44526	Exact_Mass	195.162314293
102697	Non-hydrogen_Atom_Count	23
44629681	TPSA	107
119583	Exact_Mass	613.1838501
57144446	Rotatable_Bond_Count	0
24199	Mono_Isotopic_Weight	317.259288680
2434	Hydrogen_Bond_Acceptor_Count	14
12282	Undefined_Bond_Stereo_Count	0
12415	Hydrogen_Bond_Donor_Count	0
66991	Total_Formal_Charge	0
14078850	Non-hydrogen_Atom_Count	64
24961094	Defined_Atom_Stereo_Count	0
68764493	Rotatable_Bond_Count	0
120	Defined_Bond_Stereo_Count	0
2071	Molecular_Weight	221.21
11228183	Molecular_Weight	813.4
5311466	Isotope_Atom_Count	0
74989	Defined_Atom_Stereo_Count	0
70695760	Mono_Isotopic_Weight	479.09569
11998	TPSA	52
62327	Isotope_Atom_Count	0
9143	TPSA	0
28774	Undefined_Bond_Stereo_Count	0
4369413	Defined_Bond_Stereo_Count	0
8367	Defined_Bond_Stereo_Count	0
81445	Isotope_Atom_Count	0
21885	XLogP3	1.6
6476006	Mono_Isotopic_Weight	230.094294304
97120	Defined_Atom_Stereo_Count	0
77338	Undefined_Atom_Stereo_Count	0
14030006	Molecular_Weight	933.4
134693315	Covalent_Unit_Count	1
2128	Isotope_Atom_Count	0
61594	XLogP3-AA	4.2
137184495	Rotatable_Bond_Count	8
562176	TPSA	35.5
11412	Rotatable_Bond_Count	3
17309	Hydrogen_Bond_Donor_Count	0
4594	Molecular_Weight	345.4
118318030	Defined_Bond_Stereo_Count	0
8723	Covalent_Unit_Count	1
91711338	Total_Formal_Charge	0
53840809	Undefined_Bond_Stereo_Count	0
80434	Isotope_Atom_Count	0
15221251	Rotatable_Bond_Count	1
23677832	Structure_Complexity	158
117969398	Isotope_Atom_Count	0
1649	Non-hydrogen_Atom_Count	13
6194	Hydrogen_Bond_Acceptor_Count	3
1277665	Structure_Complexity	96.3
66144	TPSA	43.4
3011729	Covalent_Unit_Count	1
5488579	Undefined_Atom_Stereo_Count	0
99456	Rotatable_Bond_Count	0
86653211	Exact_Mass	302.1577414
29356	Undefined_Atom_Stereo_Count	0
143574502	Covalent_Unit_Count	1
57750364	XLogP3-AA	1.3
25054	Defined_Bond_Stereo_Count	0
65984620	Mono_Isotopic_Weight	112.052429494
5491612	Structure_Complexity	311
65817	Molecular_Weight	228.33
23405789	Exact_Mass	480.1775624
25023858	Structure_Complexity	702
9894291	Isotope_Atom_Count	0
5363858	Molecular_Weight	198.26
3777650	Isotope_Atom_Count	0
5281099	Exact_Mass	665.30474055
11350701	Isotope_Atom_Count	0
22185288	Isotope_Atom_Count	0
156618074	Undefined_Bond_Stereo_Count	0
44539266	TPSA	146
56955286	XLogP3-AA	3.7
73670	Non-hydrogen_Atom_Count	20
60585	Hydrogen_Bond_Donor_Count	5
7791	Undefined_Atom_Stereo_Count	2
20542700	Defined_Atom_Stereo_Count	0
5053503	Undefined_Bond_Stereo_Count	0
53079	Structure_Complexity	287
6509870	Covalent_Unit_Count	1
121710	Defined_Bond_Stereo_Count	0
1803	Molecular_Weight	243.22
60612	Mono_Isotopic_Weight	200.131348519
110976	Molecular_Weight	254.41
60196351	Hydrogen_Bond_Acceptor_Count	5
3514	Total_Formal_Charge	0
136490	Rotatable_Bond_Count	2
51030896	Non-hydrogen_Atom_Count	31
68115	TPSA	59.9
8525	Defined_Atom_Stereo_Count	0
66599893	Covalent_Unit_Count	1
86742405	Total_Formal_Charge	0
21887872	Mono_Isotopic_Weight	82.0185425
9250	Covalent_Unit_Count	1
5962	Mono_Isotopic_Weight	146.105527694
11477180	Mono_Isotopic_Weight	480.1483669
23985	Defined_Atom_Stereo_Count	0
78808	XLogP3-AA	1.7
5702065	Hydrogen_Bond_Acceptor_Count	4
11346811	Exact_Mass	290.09364285
2723617	Defined_Atom_Stereo_Count	1
71072034	XLogP3-AA	3.8
827902	Hydrogen_Bond_Acceptor_Count	3
135409474	Mono_Isotopic_Weight	316.04775529
12096001	Isotope_Atom_Count	0
9841240	Mono_Isotopic_Weight	348.14739250
10237	XLogP3-AA	2.6
49865495	XLogP3-AA	1.8
18353888	Mono_Isotopic_Weight	350.16891579
168083	Undefined_Bond_Stereo_Count	0
688803	Undefined_Bond_Stereo_Count	0
42051894	Defined_Bond_Stereo_Count	0
5642	Undefined_Atom_Stereo_Count	4
3047830	Defined_Atom_Stereo_Count	0
70687384	Undefined_Bond_Stereo_Count	0
71916	TPSA	78.8
76487	Hydrogen_Bond_Acceptor_Count	5
94176	Exact_Mass	120.04225873
14041489	Isotope_Atom_Count	0
97886	Structure_Complexity	238
7043900	Undefined_Atom_Stereo_Count	0
43234	XLogP3	3.5
59743204	Mono_Isotopic_Weight	99.104799419
543885	Molecular_Weight	112.21
91224654	Covalent_Unit_Count	1
89101416	Defined_Atom_Stereo_Count	0
12956087	Rotatable_Bond_Count	0
40684	Isotope_Atom_Count	0
154342	Tautomer_Count	3
86855	XLogP3-AA	1.8
5459845	Hydrogen_Bond_Donor_Count	4
143811683	Covalent_Unit_Count	1
6518189	Defined_Atom_Stereo_Count	0
46203882	Defined_Atom_Stereo_Count	0
221961	Total_Formal_Charge	0
497380	Defined_Bond_Stereo_Count	0
118360420	Undefined_Atom_Stereo_Count	6
598760	Hydrogen_Bond_Donor_Count	0
67656161	Total_Formal_Charge	0
135900090	TPSA	220
13032	Non-hydrogen_Atom_Count	10
12891182	Rotatable_Bond_Count	0
44353367	Structure_Complexity	506
62354	Isotope_Atom_Count	0
14055	Exact_Mass	51.010899036
12596780	Defined_Atom_Stereo_Count	0
1929	Hydrogen_Bond_Donor_Count	1
25002426	Total_Formal_Charge	0
128882	Tautomer_Count	3
21596552	Covalent_Unit_Count	1
55289472	Molecular_Weight	100.12
54687772	Rotatable_Bond_Count	8
135471308	Covalent_Unit_Count	1
519543	Hydrogen_Bond_Donor_Count	0
26898	Mono_Isotopic_Weight	290.235813585
24871744	Hydrogen_Bond_Donor_Count	1
2733257	Molecular_Weight	139.58
14532580	Non-hydrogen_Atom_Count	8
72165	Exact_Mass	284.152477885
23182368	Defined_Atom_Stereo_Count	0
2976	Non-hydrogen_Atom_Count	33
18929959	Defined_Atom_Stereo_Count	0
10027816	Total_Formal_Charge	0
54567	Total_Formal_Charge	0
13067931	Mono_Isotopic_Weight	106.053098200
63546	Covalent_Unit_Count	1
70677962	TPSA	186
3566445	TPSA	79.6
145454	Mono_Isotopic_Weight	215.09799996
980806	Structure_Complexity	618
289847	Total_Formal_Charge	0
46889118	Molecular_Weight	281.31
74141	Structure_Complexity	114
13613	XLogP3	0.9
60196393	Covalent_Unit_Count	2
16807	Undefined_Bond_Stereo_Count	0
69807449	XLogP3-AA	0.1
5121	Isotope_Atom_Count	0
7182	Defined_Atom_Stereo_Count	0
656404	XLogP3-AA	4.6
202519	XLogP3	5.4
1419	Hydrogen_Bond_Donor_Count	0
53793878	Undefined_Atom_Stereo_Count	0
6842999	XLogP3-AA	1.3
11170991	Undefined_Atom_Stereo_Count	0
57396951	Mono_Isotopic_Weight	640.25646912
12688	Undefined_Bond_Stereo_Count	0
74918	Non-hydrogen_Atom_Count	15
544588	Structure_Complexity	96.4
59018485	Total_Formal_Charge	0
57410	Molecular_Weight	436.14
12317881	Undefined_Atom_Stereo_Count	0
49865493	Exact_Mass	305.116426730
454878	Hydrogen_Bond_Donor_Count	6
111	Undefined_Atom_Stereo_Count	0
3089	Defined_Atom_Stereo_Count	0
79016	Undefined_Atom_Stereo_Count	1
230826	Undefined_Atom_Stereo_Count	0
129754695	Non-hydrogen_Atom_Count	29
492	Total_Formal_Charge	0
44560771	XLogP3-AA	2
73351	TPSA	167
5282546	XLogP3-AA	4.9
50128	Defined_Atom_Stereo_Count	0
133832	Molecular_Weight	377.5
145994598	Covalent_Unit_Count	1
1476857	Non-hydrogen_Atom_Count	18
528405	Structure_Complexity	74.9
271792	Total_Formal_Charge	0
3086686	Mono_Isotopic_Weight	398.21180428
13220	Molecular_Weight	155.24
5487888	Covalent_Unit_Count	1
5280450	Mono_Isotopic_Weight	280.240230259
15577855	Mono_Isotopic_Weight	110.073164938
40520	Rotatable_Bond_Count	6
70690638	Exact_Mass	457.18623762
10238746	Defined_Bond_Stereo_Count	0
5470	Defined_Atom_Stereo_Count	0
364	Hydrogen_Bond_Acceptor_Count	4
584667	Non-hydrogen_Atom_Count	20
16760	Hydrogen_Bond_Acceptor_Count	4
153623425	Structure_Complexity	150
55855	Defined_Atom_Stereo_Count	3
5354495	Non-hydrogen_Atom_Count	1
265	Undefined_Bond_Stereo_Count	0
11062343	XLogP3-AA	1.7
534838	Isotope_Atom_Count	0
15559221	Defined_Bond_Stereo_Count	0
135498233	Defined_Atom_Stereo_Count	0
3229	Mono_Isotopic_Weight	320.12846858
3037886	Molecular_Weight	231.33
53670643	Defined_Atom_Stereo_Count	0
6114	Hydrogen_Bond_Donor_Count	0
9897697	Rotatable_Bond_Count	9
102004571	Isotope_Atom_Count	0
2076	Non-hydrogen_Atom_Count	40
5324278	Covalent_Unit_Count	1
13772685	Exact_Mass	259.96981
29144	Defined_Atom_Stereo_Count	1
88239551	TPSA	26
36023	TPSA	23.8
547678	Mono_Isotopic_Weight	116.047344113
12255457	Hydrogen_Bond_Donor_Count	0
146719	Rotatable_Bond_Count	3
127382	Undefined_Bond_Stereo_Count	0
13157	Total_Formal_Charge	0
4989215	Covalent_Unit_Count	1
9031	Molecular_Weight	259.68
17805735	Exact_Mass	96.068748264
237946	Isotope_Atom_Count	0
16134409	Mono_Isotopic_Weight	1891.84171491
58854	Structure_Complexity	217
115011064	Exact_Mass	114.068079557
11292	Total_Formal_Charge	0
16133850	Hydrogen_Bond_Donor_Count	60
59227	Hydrogen_Bond_Donor_Count	1
9708	Undefined_Atom_Stereo_Count	0
213020	Structure_Complexity	324
21828691	Undefined_Bond_Stereo_Count	0
10021510	Covalent_Unit_Count	1
5282484	Hydrogen_Bond_Donor_Count	2
100	Undefined_Bond_Stereo_Count	7
7839	Rotatable_Bond_Count	1
64048	TPSA	58.2
413	Rotatable_Bond_Count	1
69430	TPSA	40.9
142967978	Defined_Bond_Stereo_Count	0
2109	Tautomer_Count	1
60652	Structure_Complexity	380
164946899	Defined_Bond_Stereo_Count	1
3326	TPSA	26.8
336423	TPSA	39.2
140112497	Hydrogen_Bond_Donor_Count	1
23688907	Defined_Bond_Stereo_Count	0
11398	Total_Formal_Charge	0
11566	Rotatable_Bond_Count	0
87703	Total_Formal_Charge	0
7108	Isotope_Atom_Count	0
18102	Structure_Complexity	175
6436125	Undefined_Bond_Stereo_Count	0
118176200	Defined_Bond_Stereo_Count	0
84682	Molecular_Weight	74.12
3966	TPSA	6.5
131634493	Undefined_Bond_Stereo_Count	0
60867	Total_Formal_Charge	0
675587	Undefined_Atom_Stereo_Count	0
10675	Isotope_Atom_Count	0
132784510	Defined_Atom_Stereo_Count	0
6426632	Undefined_Bond_Stereo_Count	0
50989726	Molecular_Weight	97.16
14437479	Isotope_Atom_Count	0
749	Exact_Mass	434.23113938
12704953	Isotope_Atom_Count	0
38207	Tautomer_Count	1
565424	Isotope_Atom_Count	0
401171	Non-hydrogen_Atom_Count	17
135887820	Structure_Complexity	1730
1000	Mono_Isotopic_Weight	137.084063974
30190	Exact_Mass	414.161979940
25244355	Undefined_Bond_Stereo_Count	0
5280492	Molecular_Weight	336.5
230826	Defined_Atom_Stereo_Count	0
9989264	Hydrogen_Bond_Acceptor_Count	1
24900751	Undefined_Atom_Stereo_Count	0
58173	Defined_Bond_Stereo_Count	0
3076	Structure_Complexity	565
454647	Total_Formal_Charge	0
2239	Undefined_Bond_Stereo_Count	0
102004403	Hydrogen_Bond_Donor_Count	11
37768	Total_Formal_Charge	0
71698	Molecular_Weight	262.35
104746	Tautomer_Count	2
258618	TPSA	17.1
46841787	Hydrogen_Bond_Donor_Count	1
4413	Defined_Bond_Stereo_Count	0
139087394	Mono_Isotopic_Weight	492.18479
646135	Total_Formal_Charge	0
6994977	Hydrogen_Bond_Donor_Count	3
67718	Total_Formal_Charge	0
137719	Defined_Bond_Stereo_Count	0
74859	Undefined_Atom_Stereo_Count	0
6457	TPSA	20.2
51371222	TPSA	91.2
70962	Structure_Complexity	149
5918	Undefined_Bond_Stereo_Count	0
565472	Non-hydrogen_Atom_Count	11
398596	Isotope_Atom_Count	0
969152	Undefined_Atom_Stereo_Count	0
36382	Total_Formal_Charge	0
146159220	Covalent_Unit_Count	1
69270	Structure_Complexity	97.8
151194	Defined_Atom_Stereo_Count	0
23160101	Defined_Atom_Stereo_Count	0
72916	Hydrogen_Bond_Acceptor_Count	2
10197625	Structure_Complexity	30.7
67784194	Molecular_Weight	109.09
1549045	Defined_Atom_Stereo_Count	0
15432	Exact_Mass	391.19546489
75614	Rotatable_Bond_Count	5
159871	TPSA	83.6
73584	Defined_Atom_Stereo_Count	1
89036	TPSA	66.4
66603768	Exact_Mass	351.1560986
133562676	Undefined_Bond_Stereo_Count	0
12394845	Undefined_Atom_Stereo_Count	1
170295	Tautomer_Count	1
304590	Undefined_Atom_Stereo_Count	0
131708911	Hydrogen_Bond_Donor_Count	1
5357	Molecular_Weight	354.5
54011	Rotatable_Bond_Count	15
10333641	Exact_Mass	275.93957
18783247	Mono_Isotopic_Weight	150.042927438
15388649	Isotope_Atom_Count	0
54682536	Rotatable_Bond_Count	4
5904	Rotatable_Bond_Count	4
5311054	Defined_Bond_Stereo_Count	0
62857	Molecular_Weight	345.8
83095	Mono_Isotopic_Weight	168.0301698
7055	TPSA	0
9076	Undefined_Bond_Stereo_Count	0
54978	Non-hydrogen_Atom_Count	22
61865004	Rotatable_Bond_Count	3
9549326	Covalent_Unit_Count	1
6504	Molecular_Weight	318.32
18710462	Isotope_Atom_Count	0
24848261	Isotope_Atom_Count	0
114853	Non-hydrogen_Atom_Count	1
5282403	Hydrogen_Bond_Donor_Count	2
2322334	TPSA	52.7
73246	Mono_Isotopic_Weight	535.17368407
5487496	Exact_Mass	509.28897135
5311123	Defined_Bond_Stereo_Count	0
61007	Undefined_Atom_Stereo_Count	0
6439447	Undefined_Atom_Stereo_Count	0
14200416	Defined_Atom_Stereo_Count	0
129668601	Molecular_Weight	145.12
6433198	Rotatable_Bond_Count	16
54746	Rotatable_Bond_Count	8
134694738	Defined_Atom_Stereo_Count	2
146171122	Undefined_Bond_Stereo_Count	0
9650	Undefined_Bond_Stereo_Count	0
141411141	Hydrogen_Bond_Acceptor_Count	2
73854	Rotatable_Bond_Count	13
9570093	Undefined_Bond_Stereo_Count	0
5713976	Defined_Bond_Stereo_Count	1
54929	Rotatable_Bond_Count	6
42599603	Non-hydrogen_Atom_Count	29
45085067	Total_Formal_Charge	0
36457	Defined_Bond_Stereo_Count	0
71356052	Covalent_Unit_Count	1
735091	Defined_Atom_Stereo_Count	0
131704245	Undefined_Atom_Stereo_Count	0
12357829	Rotatable_Bond_Count	0
123248	Tautomer_Count	3
442912	Hydrogen_Bond_Donor_Count	1
101663894	TPSA	121
25263480	Defined_Atom_Stereo_Count	1
63045	Molecular_Weight	448.5
28292	Undefined_Atom_Stereo_Count	0
542892	Non-hydrogen_Atom_Count	8
12377442	Defined_Bond_Stereo_Count	0
11328	Structure_Complexity	150
67901	Mono_Isotopic_Weight	116.00851382
55287187	Hydrogen_Bond_Donor_Count	1
59036328	Covalent_Unit_Count	1
87468122	Defined_Bond_Stereo_Count	0
12720	Mono_Isotopic_Weight	52.0313001276
30020	Covalent_Unit_Count	1
101944071	Mono_Isotopic_Weight	345.0759302
140695	Defined_Atom_Stereo_Count	0
64685	Defined_Atom_Stereo_Count	0
136257950	XLogP3-AA	4.7
39700	Rotatable_Bond_Count	4
466959	TPSA	177
27447	Hydrogen_Bond_Donor_Count	3
35876	Hydrogen_Bond_Donor_Count	0
77317	Mono_Isotopic_Weight	108.068748264
969152	Defined_Atom_Stereo_Count	0
2762785	Molecular_Weight	113.09
69521	Undefined_Bond_Stereo_Count	0
3638	Isotope_Atom_Count	0
11807	Non-hydrogen_Atom_Count	6
54595803	Undefined_Bond_Stereo_Count	0
4510	Non-hydrogen_Atom_Count	15
54178371	Molecular_Weight	99.13
92155	Structure_Complexity	730
56682220	Non-hydrogen_Atom_Count	33
43853	Mono_Isotopic_Weight	303.97114494
41170	Undefined_Bond_Stereo_Count	0
61181	Tautomer_Count	1
65731	Structure_Complexity	405
71463896	Structure_Complexity	1060
90431674	Hydrogen_Bond_Donor_Count	1
119716	Isotope_Atom_Count	0
6670	Non-hydrogen_Atom_Count	15
19994812	Total_Formal_Charge	0
1013	Undefined_Bond_Stereo_Count	0
53364498	Undefined_Bond_Stereo_Count	0
146158693	Total_Formal_Charge	0
60196306	Covalent_Unit_Count	1
9446	Covalent_Unit_Count	1
6604561	Total_Formal_Charge	0
398516	Mono_Isotopic_Weight	380.13069707
7837	Defined_Atom_Stereo_Count	0
11442891	Hydrogen_Bond_Donor_Count	2
44560808	Mono_Isotopic_Weight	410.14126175
517065	Exact_Mass	444.21576897
136096147	Defined_Bond_Stereo_Count	0
18546557	Isotope_Atom_Count	0
88800	Total_Formal_Charge	0
72551585	Defined_Bond_Stereo_Count	0
71500036	Structure_Complexity	395
301520	Defined_Bond_Stereo_Count	0
154183660	Rotatable_Bond_Count	2
3392711	Isotope_Atom_Count	0
71655	TPSA	101
5619	Defined_Atom_Stereo_Count	0
56841794	Defined_Bond_Stereo_Count	0
20980871	Exact_Mass	331.1161486
15206928	Hydrogen_Bond_Acceptor_Count	2
62724	Undefined_Bond_Stereo_Count	0
71481097	Covalent_Unit_Count	1
16739650	Molecular_Weight	372.5
12779729	Undefined_Bond_Stereo_Count	0
62739	Rotatable_Bond_Count	3
12523672	TPSA	26
56668931	Mono_Isotopic_Weight	354.20557608
18517524	Mono_Isotopic_Weight	433.928234
3093785	Covalent_Unit_Count	1
55036	Structure_Complexity	593
14240	Molecular_Weight	171.28
6966	Total_Formal_Charge	0
22603628	TPSA	63.3
18614	Total_Formal_Charge	0
9798098	Undefined_Atom_Stereo_Count	0
199402	Hydrogen_Bond_Donor_Count	18
9862	Exact_Mass	126.104465066
16760285	Non-hydrogen_Atom_Count	15
23677058	Mono_Isotopic_Weight	276.09084324
4004	Molecular_Weight	330.4
57468	Defined_Atom_Stereo_Count	0
124918602	Isotope_Atom_Count	0
3984	Structure_Complexity	458
60196261	Non-hydrogen_Atom_Count	24
21027022	Undefined_Atom_Stereo_Count	0
11195	Mono_Isotopic_Weight	153.924450
98266	Mono_Isotopic_Weight	130.135765193
135618542	TPSA	299
62329	Non-hydrogen_Atom_Count	21
91694113	Undefined_Atom_Stereo_Count	2
66059	Hydrogen_Bond_Donor_Count	1
71317097	TPSA	110
77751	XLogP3-AA	2.9
13437467	Structure_Complexity	72.1
1565	Structure_Complexity	308
70355	Non-hydrogen_Atom_Count	15
99564	Rotatable_Bond_Count	1
70922	Hydrogen_Bond_Acceptor_Count	2
135398570	Defined_Atom_Stereo_Count	4
6918446	Structure_Complexity	560
162651	Non-hydrogen_Atom_Count	3
6971136	Exact_Mass	232.02796859
16132954	Covalent_Unit_Count	1
54288820	TPSA	57.5
45972	Hydrogen_Bond_Acceptor_Count	2
138921	Structure_Complexity	107
71411033	Rotatable_Bond_Count	1
68135832	Covalent_Unit_Count	1
79998	Total_Formal_Charge	0
124389585	Covalent_Unit_Count	1
66577038	Rotatable_Bond_Count	9
155742	Defined_Atom_Stereo_Count	0
22013662	Covalent_Unit_Count	1
12206	Hydrogen_Bond_Donor_Count	0
121945	Isotope_Atom_Count	0
44596	Hydrogen_Bond_Acceptor_Count	1
9988	Molecular_Weight	106.10
10215	Hydrogen_Bond_Donor_Count	2
7673	Undefined_Bond_Stereo_Count	0
12236733	Undefined_Atom_Stereo_Count	0
9988947	Defined_Atom_Stereo_Count	10
440968	Defined_Atom_Stereo_Count	2
71449859	Mono_Isotopic_Weight	600.2018590
88091	Mono_Isotopic_Weight	243.1389920
13827562	Mono_Isotopic_Weight	206.167065321
36037	Structure_Complexity	294
3865578	Structure_Complexity	178
9571004	Molecular_Weight	458.0
1034	Defined_Atom_Stereo_Count	0
59973	Undefined_Bond_Stereo_Count	0
91657	Defined_Atom_Stereo_Count	0
8275	TPSA	75.3
4594	Hydrogen_Bond_Acceptor_Count	6
679386	Exact_Mass	276.05686342
73557521	Molecular_Weight	190.09
656833	Undefined_Bond_Stereo_Count	0
232080	Rotatable_Bond_Count	4
169607	Undefined_Atom_Stereo_Count	0
256411	TPSA	88.6
11244031	Covalent_Unit_Count	1
68099571	Covalent_Unit_Count	1
66901	Defined_Atom_Stereo_Count	0
13968540	Rotatable_Bond_Count	3
71191	Total_Formal_Charge	0
13694	Exact_Mass	212.0392780
80168	Tautomer_Count	1
9297	Isotope_Atom_Count	0
6365696	Mono_Isotopic_Weight	280.240230259
46205733	Mono_Isotopic_Weight	622.2324904
19016756	Molecular_Weight	100.08
4348	Molecular_Weight	151.21
151173	Exact_Mass	213.07495584
71359012	Exact_Mass	110.073164938
121719	Structure_Complexity	237
68374690	XLogP3-AA	0.3
45788574	Defined_Atom_Stereo_Count	0
483998	Covalent_Unit_Count	1
62267	Non-hydrogen_Atom_Count	15
453915	Undefined_Bond_Stereo_Count	0
41530	Molecular_Weight	231.72
11075477	Defined_Atom_Stereo_Count	0
87998	Non-hydrogen_Atom_Count	15
57469742	Exact_Mass	114.031694049
5071450	Tautomer_Count	2
91029	Total_Formal_Charge	0
7294	Mono_Isotopic_Weight	86.036779430
642623	TPSA	46.5
6977134	Non-hydrogen_Atom_Count	14
22246713	TPSA	55.6
11990	TPSA	52
17788563	Covalent_Unit_Count	1
259994	Defined_Atom_Stereo_Count	1
3960	Undefined_Atom_Stereo_Count	1
140334	Total_Formal_Charge	0
10456134	TPSA	101
439156	Covalent_Unit_Count	1
7890	Hydrogen_Bond_Donor_Count	0
6708	Covalent_Unit_Count	1
84063191	Covalent_Unit_Count	1
91878	Isotope_Atom_Count	0
24635	Hydrogen_Bond_Acceptor_Count	2
92703	Total_Formal_Charge	0
83891	Defined_Bond_Stereo_Count	0
86439	TPSA	90.6
143162854	Molecular_Weight	110.16
77991	Tautomer_Count	1
13057924	Rotatable_Bond_Count	0
11535	Exact_Mass	54.0469501914
5323974	Covalent_Unit_Count	1
16158103	Structure_Complexity	3420
8491	Hydrogen_Bond_Donor_Count	0
216294	Total_Formal_Charge	0
240586	Covalent_Unit_Count	1
57246909	Total_Formal_Charge	0
135539077	Total_Formal_Charge	0
549278	XLogP3-AA	0.1
13991616	Molecular_Weight	268.22
18357	Mono_Isotopic_Weight	195.068413911
91410652	Non-hydrogen_Atom_Count	8
44143311	Structure_Complexity	576
20281045	Undefined_Bond_Stereo_Count	0
21670561	TPSA	0
75049	Hydrogen_Bond_Donor_Count	1
7450	Covalent_Unit_Count	1
20831	Tautomer_Count	1
518996	Defined_Atom_Stereo_Count	0
13485108	Defined_Bond_Stereo_Count	0
53317194	Defined_Atom_Stereo_Count	0
11543205	Structure_Complexity	278
52945794	Mono_Isotopic_Weight	293.19909372
127382	Undefined_Atom_Stereo_Count	0
10267	Undefined_Bond_Stereo_Count	0
18636	Structure_Complexity	354
131057	Defined_Bond_Stereo_Count	0
13586830	Mono_Isotopic_Weight	98.000393922
36383	Undefined_Atom_Stereo_Count	0
15809	Isotope_Atom_Count	0
90993	Mono_Isotopic_Weight	244.121177757
9938	Covalent_Unit_Count	1
57674785	XLogP3-AA	1.7
18999	Covalent_Unit_Count	1
23678	Mono_Isotopic_Weight	395.88317
137895	Covalent_Unit_Count	1
542354	Exact_Mass	114.068079557
62655	Mono_Isotopic_Weight	237.88299787
86356	Isotope_Atom_Count	0
6901	Defined_Atom_Stereo_Count	0
18698	TPSA	26.3
135565471	Defined_Atom_Stereo_Count	4
21662383	Hydrogen_Bond_Acceptor_Count	1
11597697	Rotatable_Bond_Count	8
15595455	Undefined_Bond_Stereo_Count	0
71743826	Total_Formal_Charge	0
12760717	Exact_Mass	98.059246208
7000	Isotope_Atom_Count	0
12415356	XLogP3-AA	0
5359853	Undefined_Bond_Stereo_Count	0
129627867	Rotatable_Bond_Count	5
9862076	Hydrogen_Bond_Acceptor_Count	5
594557	Covalent_Unit_Count	1
24878	Hydrogen_Bond_Acceptor_Count	2
720471	Molecular_Weight	142.18
9961	Exact_Mass	124.03358575
21702818	Molecular_Weight	109.13
21162706	Undefined_Bond_Stereo_Count	0
157903531	Mono_Isotopic_Weight	99.068413911
45266646	Structure_Complexity	1110
123872156	Undefined_Atom_Stereo_Count	3
5361	Hydrogen_Bond_Donor_Count	12
56955071	Isotope_Atom_Count	0
190714	XLogP3-AA	1.3
8480	Mono_Isotopic_Weight	259.977826
21930930	Total_Formal_Charge	0
11380	Molecular_Weight	257.76
664338	Non-hydrogen_Atom_Count	28
144404363	Hydrogen_Bond_Acceptor_Count	2
246983	Non-hydrogen_Atom_Count	31
11226684	Defined_Atom_Stereo_Count	8
21896570	Hydrogen_Bond_Acceptor_Count	2
97868	Isotope_Atom_Count	0
5249877	Defined_Atom_Stereo_Count	0
12235161	Molecular_Weight	193.28
95197	Rotatable_Bond_Count	2
5271565	Exact_Mass	144.04225873
84420187	Total_Formal_Charge	0
39214	Non-hydrogen_Atom_Count	18
9984441	Exact_Mass	529.21726296
157882	Total_Formal_Charge	0
44193577	Exact_Mass	399.11946125
21880519	Undefined_Bond_Stereo_Count	0
9246	Isotope_Atom_Count	0
9821945	Defined_Atom_Stereo_Count	0
135554980	Molecular_Weight	87.04
12933763	Hydrogen_Bond_Acceptor_Count	1
50897	Undefined_Bond_Stereo_Count	0
5244	Defined_Bond_Stereo_Count	0
829795	TPSA	101
129816	Mono_Isotopic_Weight	387.14705815
14964043	Mono_Isotopic_Weight	97.052763847
24865999	Isotope_Atom_Count	0
37858	Isotope_Atom_Count	0
54587659	Hydrogen_Bond_Acceptor_Count	5
6857473	Hydrogen_Bond_Acceptor_Count	0
135398593	Non-hydrogen_Atom_Count	18
141082	Rotatable_Bond_Count	3
1544	Molecular_Weight	853.6
87163	Defined_Bond_Stereo_Count	0
3344847	Mono_Isotopic_Weight	429.05049494
3055174	Hydrogen_Bond_Acceptor_Count	8
36978	Isotope_Atom_Count	0
130142668	Isotope_Atom_Count	0
70678916	Hydrogen_Bond_Acceptor_Count	8
72521	Hydrogen_Bond_Donor_Count	3
13347991	Molecular_Weight	108.18
63985	Structure_Complexity	763
6386	TPSA	20.2
30822	Covalent_Unit_Count	1
16757815	Hydrogen_Bond_Acceptor_Count	16
60165806	Defined_Atom_Stereo_Count	1
41287	Isotope_Atom_Count	0
49243	Covalent_Unit_Count	1
60976	Molecular_Weight	215.23
19017814	Hydrogen_Bond_Donor_Count	1
44419427	Defined_Atom_Stereo_Count	6
149697	Mono_Isotopic_Weight	373.14264148
23284	Undefined_Atom_Stereo_Count	1
650201	Structure_Complexity	682
74405857	Mono_Isotopic_Weight	366.05554326
18531013	Undefined_Bond_Stereo_Count	0
439507	Isotope_Atom_Count	0
10620213	TPSA	104
231931	Defined_Atom_Stereo_Count	0
16154490	Undefined_Bond_Stereo_Count	0
54686183	Mono_Isotopic_Weight	1024.3123164
64969	Defined_Atom_Stereo_Count	1
59771	Total_Formal_Charge	0
44129648	Molecular_Weight	418.5
50741839	Structure_Complexity	1020
4409396	Hydrogen_Bond_Acceptor_Count	10
133083907	TPSA	70
10697956	Undefined_Bond_Stereo_Count	0
12149454	Covalent_Unit_Count	2
71759	Defined_Atom_Stereo_Count	0
123917	Tautomer_Count	343
5287468	Non-hydrogen_Atom_Count	37
6921	XLogP3	3.5
71988	Undefined_Atom_Stereo_Count	0
54306059	Total_Formal_Charge	0
541384	Hydrogen_Bond_Acceptor_Count	3
18075	Tautomer_Count	20
286	Total_Formal_Charge	0
60196261	Undefined_Bond_Stereo_Count	0
56069	Non-hydrogen_Atom_Count	29
71450115	Mono_Isotopic_Weight	583.16818
9799	Exact_Mass	394.21555225
16821	Rotatable_Bond_Count	7
139510	Defined_Atom_Stereo_Count	0
24945227	Isotope_Atom_Count	0
60196332	Undefined_Atom_Stereo_Count	0
1135	Total_Formal_Charge	0
23533634	Rotatable_Bond_Count	1
5362775	Exact_Mass	98.073164938
86336697	Rotatable_Bond_Count	1
3763454	Tautomer_Count	1
3852430	Hydrogen_Bond_Acceptor_Count	3
94675	Rotatable_Bond_Count	3
44350128	Hydrogen_Bond_Acceptor_Count	3
9590	Mono_Isotopic_Weight	141.02260653
54239389	Molecular_Weight	114.17
22327	Mono_Isotopic_Weight	266.297351212
40468	Non-hydrogen_Atom_Count	17
4645224	Molecular_Weight	165.12
149127983	Defined_Bond_Stereo_Count	0
67495	Isotope_Atom_Count	0
18075	Molecular_Weight	210.23
37114	Hydrogen_Bond_Acceptor_Count	3
23963	TPSA	0
12103	Structure_Complexity	83
3035657	Tautomer_Count	2
73744469	Molecular_Weight	582.0
674701	Rotatable_Bond_Count	5
6858	Hydrogen_Bond_Acceptor_Count	4
650201	XLogP3-AA	3.1
74208	Hydrogen_Bond_Acceptor_Count	2
95162564	Non-hydrogen_Atom_Count	23
135413525	Non-hydrogen_Atom_Count	18
9572720	Undefined_Atom_Stereo_Count	0
28429	Defined_Atom_Stereo_Count	0
5466139	Non-hydrogen_Atom_Count	20
86306373	TPSA	103
2734168	Undefined_Bond_Stereo_Count	0
482	Structure_Complexity	824
4284331	TPSA	189
16733194	Defined_Atom_Stereo_Count	0
62882	Isotope_Atom_Count	0
6540262	Hydrogen_Bond_Acceptor_Count	2
11116013	Isotope_Atom_Count	0
94411	Structure_Complexity	180
53832747	Isotope_Atom_Count	0
5724	Mono_Isotopic_Weight	439.95748
5284507	Covalent_Unit_Count	1
50988819	Hydrogen_Bond_Donor_Count	0
168870	Structure_Complexity	1210
454202	Rotatable_Bond_Count	7
6589	Rotatable_Bond_Count	1
76830	Tautomer_Count	1
16049769	TPSA	110
1061	Tautomer_Count	1
4745	XLogP3-AA	4.2
182585	Covalent_Unit_Count	1
14236864	Defined_Bond_Stereo_Count	0
70690618	XLogP3-AA	3.8
22258	Hydrogen_Bond_Donor_Count	0
5250834	Defined_Atom_Stereo_Count	0
22168978	Molecular_Weight	103.08
145287	Non-hydrogen_Atom_Count	7
131428459	XLogP3-AA	0.2
29033	Undefined_Bond_Stereo_Count	0
22234	Non-hydrogen_Atom_Count	12
126969054	TPSA	60.7
5152	Undefined_Atom_Stereo_Count	1
131801109	Exact_Mass	802.26322735
163050683	Total_Formal_Charge	0
122222714	Rotatable_Bond_Count	7
150986	Covalent_Unit_Count	1
11136	Defined_Bond_Stereo_Count	0
136459	Rotatable_Bond_Count	0
940892	Molecular_Weight	272.26
73398	Hydrogen_Bond_Donor_Count	2
102311438	Isotope_Atom_Count	0
17693	Defined_Atom_Stereo_Count	0
57445155	Undefined_Bond_Stereo_Count	0
90479276	Undefined_Atom_Stereo_Count	2
445858	Molecular_Weight	194.18
153085381	Undefined_Bond_Stereo_Count	0
5359853	Defined_Atom_Stereo_Count	0
3085281	Mono_Isotopic_Weight	752.77339506
132252	TPSA	67.8
7156899	Mono_Isotopic_Weight	342.11621151
11789150	Isotope_Atom_Count	0
60196419	Structure_Complexity	567
80108693	Isotope_Atom_Count	0
19919696	Structure_Complexity	131
9808235	Tautomer_Count	1
26684	Mono_Isotopic_Weight	310.1248191
85032	Undefined_Bond_Stereo_Count	0
76223462	Rotatable_Bond_Count	2
5288149	Hydrogen_Bond_Donor_Count	3
118210808	Undefined_Bond_Stereo_Count	0
5154	Covalent_Unit_Count	1
62904	Hydrogen_Bond_Acceptor_Count	8
10678200	Non-hydrogen_Atom_Count	8
139341721	Total_Formal_Charge	0
139086112	Defined_Bond_Stereo_Count	0
616573	Hydrogen_Bond_Donor_Count	1
129873330	Covalent_Unit_Count	1
54712148	Undefined_Atom_Stereo_Count	0
15910	Hydrogen_Bond_Acceptor_Count	2
10240	Structure_Complexity	307
59761113	Isotope_Atom_Count	0
95361	TPSA	55.8
46942	Total_Formal_Charge	2
79576984	Rotatable_Bond_Count	4
347590	TPSA	63.7
5593	Isotope_Atom_Count	0
10953454	Hydrogen_Bond_Donor_Count	0
9570093	Defined_Atom_Stereo_Count	0
32069	Covalent_Unit_Count	1
80297114	Rotatable_Bond_Count	1
4975	XLogP3-AA	1
398633	XLogP3-AA	4.2
76305	Structure_Complexity	171
20228407	Isotope_Atom_Count	0
289085	Rotatable_Bond_Count	8
12677196	TPSA	9.2
704245	Hydrogen_Bond_Acceptor_Count	4
34885	Rotatable_Bond_Count	4
46911956	Covalent_Unit_Count	1
53563	Hydrogen_Bond_Acceptor_Count	4
23422065	XLogP3-AA	0.1
138517092	Undefined_Atom_Stereo_Count	0
4205687	Rotatable_Bond_Count	1
101602193	Structure_Complexity	1510
10176082	Non-hydrogen_Atom_Count	4
7085	Rotatable_Bond_Count	1
91027156	Covalent_Unit_Count	1
71571522	Total_Formal_Charge	0
14301363	XLogP3-AA	4.2
17904790	XLogP3-AA	0.7
156071492	Structure_Complexity	131
12749	Tautomer_Count	2
37144	Undefined_Bond_Stereo_Count	0
854019	Isotope_Atom_Count	0
76373	Defined_Atom_Stereo_Count	0
75879	Undefined_Bond_Stereo_Count	0
70689350	Covalent_Unit_Count	2
76736	Tautomer_Count	1
6506	XLogP3-AA	0.1
181583	Undefined_Atom_Stereo_Count	1
7265	Hydrogen_Bond_Donor_Count	2
44404657	Rotatable_Bond_Count	11
53912836	Exact_Mass	99.043261792
13791	Molecular_Weight	356.5
15533	Isotope_Atom_Count	0
63963	Covalent_Unit_Count	1
12774278	Undefined_Atom_Stereo_Count	0
9929430	Defined_Bond_Stereo_Count	0
147594753	Defined_Bond_Stereo_Count	0
11640390	Covalent_Unit_Count	1
65309	TPSA	157
56669107	XLogP3-AA	1
21313738	Hydrogen_Bond_Donor_Count	1
3729	Non-hydrogen_Atom_Count	14
71107	Mono_Isotopic_Weight	426.12494298
65127	Defined_Bond_Stereo_Count	0
91042	Defined_Atom_Stereo_Count	0
139254656	Isotope_Atom_Count	0
24987688	Defined_Atom_Stereo_Count	8
84	Covalent_Unit_Count	1
53873414	Defined_Bond_Stereo_Count	0
6452419	Covalent_Unit_Count	1
12561970	Total_Formal_Charge	0
98181817	Isotope_Atom_Count	0
14976610	Mono_Isotopic_Weight	109.089149355
49867704	Hydrogen_Bond_Donor_Count	2
65874	Defined_Bond_Stereo_Count	0
101707	Non-hydrogen_Atom_Count	18
107681	Hydrogen_Bond_Acceptor_Count	8
5281080	Structure_Complexity	1550
77072	XLogP3-AA	11.8
449107	Molecular_Weight	531.7
30951	Undefined_Bond_Stereo_Count	0
52346	TPSA	66.9
129709955	Non-hydrogen_Atom_Count	19
121630	Non-hydrogen_Atom_Count	7
22068766	Defined_Bond_Stereo_Count	0
38298	Exact_Mass	278.141913202
91171	Rotatable_Bond_Count	3
44560771	Mono_Isotopic_Weight	362.14126175
72823181	Non-hydrogen_Atom_Count	45
6850729	TPSA	1
65050	Tautomer_Count	3
21651128	Total_Formal_Charge	0
18502	Isotope_Atom_Count	0
5490846	XLogP3-AA	2
19202	Undefined_Atom_Stereo_Count	0
439186	Total_Formal_Charge	0
5280933	XLogP3-AA	5.9
9568077	Defined_Bond_Stereo_Count	1
10452732	Tautomer_Count	2
21943994	Hydrogen_Bond_Acceptor_Count	11
133621	Isotope_Atom_Count	0
32798	Mono_Isotopic_Weight	466.1922300
12816253	Undefined_Bond_Stereo_Count	0
71455486	Undefined_Atom_Stereo_Count	0
67240553	Defined_Atom_Stereo_Count	0
10537	Hydrogen_Bond_Donor_Count	1
83996	Hydrogen_Bond_Donor_Count	5
54594759	Molecular_Weight	99.13
13208114	Total_Formal_Charge	0
8916	Rotatable_Bond_Count	8
14238	Defined_Atom_Stereo_Count	0
58154	Undefined_Atom_Stereo_Count	0
6418362	XLogP3-AA	2.7
139612467	Exact_Mass	100.063662883
13214209	Non-hydrogen_Atom_Count	8
22253	Isotope_Atom_Count	0
24848201	Defined_Bond_Stereo_Count	0
87592747	Total_Formal_Charge	0
22	Exact_Mass	132.04225873
6436661	Defined_Bond_Stereo_Count	2
19348571	Hydrogen_Bond_Acceptor_Count	2
123936	Undefined_Atom_Stereo_Count	0
135846942	Molecular_Weight	327.5
20392	Mono_Isotopic_Weight	180.04225873
96301	Structure_Complexity	401
26106	Undefined_Bond_Stereo_Count	0
347402	Hydrogen_Bond_Donor_Count	1
483998	Undefined_Atom_Stereo_Count	1
135532964	Exact_Mass	97.027611728
864	XLogP3-AA	1.7
52941462	Defined_Atom_Stereo_Count	2
518964	Structure_Complexity	37.4
969472	Mono_Isotopic_Weight	388.1050661
44349928	Rotatable_Bond_Count	4
14946	Defined_Atom_Stereo_Count	2
44395089	Non-hydrogen_Atom_Count	44
170249	Non-hydrogen_Atom_Count	10
11252	Defined_Atom_Stereo_Count	0
11294	Defined_Bond_Stereo_Count	0
75358112	Mono_Isotopic_Weight	405.25873385
7253	XLogP3	1
154269	Covalent_Unit_Count	1
42985	TPSA	132
71342	Total_Formal_Charge	0
91618345	Covalent_Unit_Count	1
55255285	Undefined_Atom_Stereo_Count	1
10548	XLogP3	1
439	Non-hydrogen_Atom_Count	12
5362118	TPSA	135
91497205	Hydrogen_Bond_Donor_Count	1
54682830	Mono_Isotopic_Weight	250.08412354
16049448	TPSA	144
54454	Hydrogen_Bond_Acceptor_Count	5
18950548	Defined_Atom_Stereo_Count	0
350825	Undefined_Atom_Stereo_Count	0
140083	Hydrogen_Bond_Acceptor_Count	1
6456015	Defined_Atom_Stereo_Count	1
138961	Hydrogen_Bond_Donor_Count	0
25154200	Molecular_Weight	397.3
699165	Non-hydrogen_Atom_Count	16
24883	Molecular_Weight	110.97
57697	Structure_Complexity	489
465818	Mono_Isotopic_Weight	369.0801570
8194	Covalent_Unit_Count	1
6397996	Non-hydrogen_Atom_Count	2
129717505	Molecular_Weight	201.22
15546	Molecular_Weight	221.64
5897	Non-hydrogen_Atom_Count	17
9825070	Total_Formal_Charge	0
9100	Covalent_Unit_Count	1
60942	Undefined_Atom_Stereo_Count	6
2826036	Hydrogen_Bond_Acceptor_Count	4
377	Exact_Mass	547.19474967
13649426	Mono_Isotopic_Weight	248.1080262
29801	Tautomer_Count	2
6914605	Defined_Bond_Stereo_Count	0
8111	Isotope_Atom_Count	0
15228410	Structure_Complexity	96.7
5462306	Undefined_Bond_Stereo_Count	0
11655511	Structure_Complexity	732
118897473	XLogP3-AA	6.9
80790	Mono_Isotopic_Weight	164.120115130
32316	TPSA	41.9
969472	Hydrogen_Bond_Donor_Count	0
4644996	Mono_Isotopic_Weight	106.98029013
520744	Molecular_Weight	142.24
74170	Non-hydrogen_Atom_Count	6
14465	TPSA	23.6
12818200	Mono_Isotopic_Weight	366.16132849
20387241	Mono_Isotopic_Weight	99.104799419
155353470	Hydrogen_Bond_Acceptor_Count	3
129652979	Exact_Mass	98.036779430
636822	Hydrogen_Bond_Donor_Count	0
9325	Hydrogen_Bond_Donor_Count	0
694041	Exact_Mass	294.10044231
715447	Non-hydrogen_Atom_Count	21
601880	Mono_Isotopic_Weight	180.04225873
11378469	Isotope_Atom_Count	0
98488	Tautomer_Count	3
144891979	XLogP3-AA	0.8
22456671	TPSA	52
947097	Molecular_Weight	337.4
6914	Hydrogen_Bond_Donor_Count	1
76980	Total_Formal_Charge	0
139058315	Structure_Complexity	537
10622871	XLogP3-AA	1.6
3094	XLogP3-AA	6.6
54675850	Molecular_Weight	137.11
15702063	Molecular_Weight	114.14
10582755	Defined_Atom_Stereo_Count	0
54757209	TPSA	107
5282165	Isotope_Atom_Count	0
13165124	Isotope_Atom_Count	0
5829	Molecular_Weight	102.18
45791189	Defined_Bond_Stereo_Count	0
84063980	Defined_Bond_Stereo_Count	0
49869313	Non-hydrogen_Atom_Count	25
12597	Rotatable_Bond_Count	0
6815	Molecular_Weight	382.6
17390	XLogP3	2.8
185588	XLogP3	3.1
65774	Hydrogen_Bond_Acceptor_Count	5
9048	Hydrogen_Bond_Donor_Count	3
19283	Non-hydrogen_Atom_Count	34
123626	Defined_Atom_Stereo_Count	0
67016	Defined_Atom_Stereo_Count	0
85360	Total_Formal_Charge	0
122345	TPSA	90.4
11344002	TPSA	40.3
70688569	Structure_Complexity	688
413742	Exact_Mass	140.01432991
14344952	Molecular_Weight	112.13
7055	Total_Formal_Charge	0
154132	Molecular_Weight	355.3
59966641	Exact_Mass	416.32904526
7172	Mono_Isotopic_Weight	167.094628657
90895196	Hydrogen_Bond_Donor_Count	5
68822	Covalent_Unit_Count	1
5282109	Mono_Isotopic_Weight	182.130679813
22833307	Covalent_Unit_Count	1
6604122	Non-hydrogen_Atom_Count	27
2334	Undefined_Atom_Stereo_Count	0
5288033	Defined_Bond_Stereo_Count	0
145740525	Hydrogen_Bond_Acceptor_Count	2
21864164	Defined_Bond_Stereo_Count	0
52944535	Molecular_Weight	414.9
89748954	TPSA	20.2
3506	Hydrogen_Bond_Donor_Count	7
53167	Isotope_Atom_Count	0
138115739	Hydrogen_Bond_Donor_Count	12
2737358	Covalent_Unit_Count	1
10240761	Hydrogen_Bond_Donor_Count	1
70690020	Hydrogen_Bond_Acceptor_Count	5
13930075	Undefined_Atom_Stereo_Count	2
99058	Tautomer_Count	10
194338	Defined_Bond_Stereo_Count	0
66742	Isotope_Atom_Count	0
5366149	Isotope_Atom_Count	0
2887	Covalent_Unit_Count	1
8098	Mono_Isotopic_Weight	234.11033829
970648	Non-hydrogen_Atom_Count	23
44423	Defined_Bond_Stereo_Count	0
307977	Undefined_Bond_Stereo_Count	0
5281098	Defined_Bond_Stereo_Count	1
141466486	Defined_Bond_Stereo_Count	0
2843	Total_Formal_Charge	0
6538991	Defined_Atom_Stereo_Count	0
7762	Rotatable_Bond_Count	4
11019447	Undefined_Bond_Stereo_Count	0
39752	TPSA	66.1
6432591	Molecular_Weight	38.05
16064	Non-hydrogen_Atom_Count	17
79642	Molecular_Weight	231.63
4850	XLogP3-AA	1.8
11455910	Isotope_Atom_Count	0
9227	Rotatable_Bond_Count	0
1335	Defined_Atom_Stereo_Count	0
10132	Undefined_Bond_Stereo_Count	0
752860	XLogP3-AA	3.9
71158	Defined_Atom_Stereo_Count	0
128907	Exact_Mass	345.0226421
13012673	Covalent_Unit_Count	1
70257	Defined_Bond_Stereo_Count	0
10308	Covalent_Unit_Count	1
23804	Total_Formal_Charge	0
66742	Hydrogen_Bond_Donor_Count	0
68486699	Undefined_Bond_Stereo_Count	0
4849	Structure_Complexity	564
68783	Total_Formal_Charge	0
146160078	Mono_Isotopic_Weight	384.17841785
8359	Isotope_Atom_Count	0
68512	Tautomer_Count	10
163943218	Structure_Complexity	92.5
20055082	Structure_Complexity	1230
92403	Covalent_Unit_Count	1
10807976	Rotatable_Bond_Count	5
9838284	Structure_Complexity	319
20056950	Isotope_Atom_Count	0
5610	Hydrogen_Bond_Donor_Count	2
304	Hydrogen_Bond_Acceptor_Count	1
11077077	Undefined_Bond_Stereo_Count	0
65772	Undefined_Bond_Stereo_Count	0
84815	TPSA	88.6
49806720	Molecular_Weight	482.6
58024825	Covalent_Unit_Count	1
23190	Tautomer_Count	2
6852167	Tautomer_Count	5
84141	Defined_Bond_Stereo_Count	0
2569	Hydrogen_Bond_Acceptor_Count	7
68321924	TPSA	80.8
6561	XLogP3-AA	0.8
16116961	Non-hydrogen_Atom_Count	35
12724398	Mono_Isotopic_Weight	112.100048391
11829372	Total_Formal_Charge	0
84003	Undefined_Bond_Stereo_Count	0
23080859	Hydrogen_Bond_Acceptor_Count	2
4578	Rotatable_Bond_Count	3
23681909	Undefined_Bond_Stereo_Count	0
114523	Undefined_Bond_Stereo_Count	0
146461	XLogP3	2.2
123462540	Hydrogen_Bond_Donor_Count	2
10251	Total_Formal_Charge	0
676328	Rotatable_Bond_Count	6
10499446	Isotope_Atom_Count	0
66687596	TPSA	43.4
14512	Molecular_Weight	112.09
551174	Undefined_Atom_Stereo_Count	0
36119	Covalent_Unit_Count	1
71140	Non-hydrogen_Atom_Count	18
9007	Rotatable_Bond_Count	1
54418364	TPSA	26.3
12622120	Mono_Isotopic_Weight	218.05790880
86289926	Exact_Mass	989.56294335
138397	Mono_Isotopic_Weight	98.048012819
381117	Hydrogen_Bond_Acceptor_Count	5
123611214	Isotope_Atom_Count	0
10285780	Structure_Complexity	72.5
44207124	Covalent_Unit_Count	1
24759	Hydrogen_Bond_Acceptor_Count	23
129628281	Hydrogen_Bond_Acceptor_Count	26
60196356	Hydrogen_Bond_Acceptor_Count	8
77077	Defined_Atom_Stereo_Count	0
104774	Hydrogen_Bond_Acceptor_Count	4
66615705	Exact_Mass	508.1695764
25006687	Hydrogen_Bond_Donor_Count	2
11167602	TPSA	92.4
69052440	Hydrogen_Bond_Donor_Count	8
8672	TPSA	64.9
16197725	TPSA	2950
57445155	Undefined_Atom_Stereo_Count	0
41191	Undefined_Atom_Stereo_Count	0
6440511	Isotope_Atom_Count	0
225936	Hydrogen_Bond_Acceptor_Count	2
71309503	Hydrogen_Bond_Acceptor_Count	6
21766329	Non-hydrogen_Atom_Count	8
56659844	Total_Formal_Charge	0
444254	Rotatable_Bond_Count	9
34303	Exact_Mass	234.198365449
9985155	Undefined_Bond_Stereo_Count	0
9001	Total_Formal_Charge	0
74348	Non-hydrogen_Atom_Count	9
4498	Mono_Isotopic_Weight	129.078978594
11535810	Hydrogen_Bond_Acceptor_Count	1
15054176	Undefined_Atom_Stereo_Count	0
5736	Tautomer_Count	1
85032	Undefined_Atom_Stereo_Count	0
68646	Exact_Mass	229.1233420
4462	Covalent_Unit_Count	1
16642494	Hydrogen_Bond_Acceptor_Count	2
4167	Covalent_Unit_Count	1
133613144	Defined_Atom_Stereo_Count	20
24808	Molecular_Weight	158.35
37927	Tautomer_Count	1
144189552	Molecular_Weight	113.11
54681623	Non-hydrogen_Atom_Count	23
11608786	Total_Formal_Charge	0
13544016	TPSA	23.6
520396	Undefined_Bond_Stereo_Count	1
71391	Defined_Bond_Stereo_Count	0
6947	Hydrogen_Bond_Acceptor_Count	3
23170707	Rotatable_Bond_Count	1
86289378	Structure_Complexity	4390
45609	Non-hydrogen_Atom_Count	35
6451477	Exact_Mass	94.041864811
5489120	Hydrogen_Bond_Acceptor_Count	5
6993466	TPSA	40.1
5724	Covalent_Unit_Count	1
1361	Hydrogen_Bond_Acceptor_Count	8
71583157	Hydrogen_Bond_Acceptor_Count	6
63982	Isotope_Atom_Count	0
71411033	Exact_Mass	97.052763847
11628328	Defined_Bond_Stereo_Count	0
59660022	Mono_Isotopic_Weight	96.057514874
76321	Covalent_Unit_Count	1
71945	Tautomer_Count	1
3082532	Non-hydrogen_Atom_Count	24
6918078	Rotatable_Bond_Count	8
51392	Exact_Mass	284.282763776
54581335	Isotope_Atom_Count	0
91497	TPSA	9.2
283	XLogP3-AA	0.5
292249	Molecular_Weight	110.11
7169	Non-hydrogen_Atom_Count	15
62080	Exact_Mass	292.18858861
137224392	Undefined_Atom_Stereo_Count	2
11544171	Covalent_Unit_Count	1
11565289	Covalent_Unit_Count	1
25253556	TPSA	79.9
64950	Tautomer_Count	2
99404	Molecular_Weight	228.31
46897877	Isotope_Atom_Count	0
164877	Covalent_Unit_Count	1
54353190	Covalent_Unit_Count	1
3086671	Covalent_Unit_Count	1
23545554	Exact_Mass	112.052429494
3898924	Hydrogen_Bond_Acceptor_Count	2
54429344	Undefined_Bond_Stereo_Count	0
12561970	Hydrogen_Bond_Donor_Count	0
67967	Total_Formal_Charge	0
69337	Isotope_Atom_Count	0
10240772	Defined_Atom_Stereo_Count	0
580057	Total_Formal_Charge	0
19736124	Isotope_Atom_Count	0
5364714	Hydrogen_Bond_Acceptor_Count	2
62278	Hydrogen_Bond_Donor_Count	1
69462	Undefined_Atom_Stereo_Count	0
439186	Isotope_Atom_Count	0
15910	Undefined_Bond_Stereo_Count	0
7421	XLogP3	1.6
72492	Rotatable_Bond_Count	6
65043	Mono_Isotopic_Weight	263.0283962
60956	Defined_Bond_Stereo_Count	0
68321815	Rotatable_Bond_Count	3
15359	Hydrogen_Bond_Acceptor_Count	6
693241	Hydrogen_Bond_Donor_Count	0
71306834	Mono_Isotopic_Weight	744.79416
24748573	Total_Formal_Charge	0
13653	Defined_Bond_Stereo_Count	0
15969	Isotope_Atom_Count	0
3081143	Hydrogen_Bond_Donor_Count	2
7626	Undefined_Atom_Stereo_Count	0
26710	Structure_Complexity	54.3
15024257	Isotope_Atom_Count	0
54586718	Mono_Isotopic_Weight	313.17902698
135418296	Rotatable_Bond_Count	0
6473878	Tautomer_Count	3
115305	Hydrogen_Bond_Donor_Count	2
10086969	Non-hydrogen_Atom_Count	6
73812	Non-hydrogen_Atom_Count	15
197341	Defined_Bond_Stereo_Count	0
9851505	XLogP3	1.7
26444	Covalent_Unit_Count	1
54899	Defined_Bond_Stereo_Count	0
8265	XLogP3-AA	2.4
19665	Isotope_Atom_Count	0
117781134	Isotope_Atom_Count	0
545093	Hydrogen_Bond_Acceptor_Count	1
67822523	Covalent_Unit_Count	1
71452498	Total_Formal_Charge	0
16134395	Total_Formal_Charge	0
88209	Exact_Mass	203.9744848
18719	Isotope_Atom_Count	0
137849	Total_Formal_Charge	0
90761	Undefined_Bond_Stereo_Count	0
53846427	Defined_Bond_Stereo_Count	0
154790040	Covalent_Unit_Count	1
66417	Hydrogen_Bond_Acceptor_Count	3
524270	TPSA	18.5
145706074	Undefined_Atom_Stereo_Count	25
23665874	Non-hydrogen_Atom_Count	17
9906	Covalent_Unit_Count	1
70697627	Undefined_Atom_Stereo_Count	0
131876601	Molecular_Weight	843.1
65356	Structure_Complexity	423
66783827	Non-hydrogen_Atom_Count	5
445	Tautomer_Count	1
11233	Rotatable_Bond_Count	3
101526	Structure_Complexity	727
10646616	Mono_Isotopic_Weight	436.02047
70943	TPSA	25.8
10276962	XLogP3-AA	4.3
83763	Rotatable_Bond_Count	2
12508	Undefined_Bond_Stereo_Count	0
41912	Hydrogen_Bond_Donor_Count	1
4059	Mono_Isotopic_Weight	182.094294304
62274	Defined_Bond_Stereo_Count	0
139080466	Defined_Atom_Stereo_Count	2
79824	XLogP3	2.1
123134032	Undefined_Bond_Stereo_Count	0
136649217	Undefined_Atom_Stereo_Count	3
6446980	XLogP3-AA	4.1
3364477	Mono_Isotopic_Weight	112.063662883
101059324	Defined_Bond_Stereo_Count	0
89162323	Isotope_Atom_Count	0
10180181	Covalent_Unit_Count	1
21723	Covalent_Unit_Count	1
55067	Isotope_Atom_Count	0
5283740	Structure_Complexity	688
53211	Structure_Complexity	449
58606855	Hydrogen_Bond_Donor_Count	0
62662	Isotope_Atom_Count	0
57939635	Defined_Bond_Stereo_Count	0
22628836	Non-hydrogen_Atom_Count	8
2576	Covalent_Unit_Count	1
10095659	Structure_Complexity	575
15889752	Undefined_Atom_Stereo_Count	2
11744644	Hydrogen_Bond_Donor_Count	3
35935	Covalent_Unit_Count	1
22718889	Isotope_Atom_Count	0
593369	Covalent_Unit_Count	1
76852230	Hydrogen_Bond_Donor_Count	3
87425	Isotope_Atom_Count	0
9934	Total_Formal_Charge	0
95308	Exact_Mass	129.078978594
28697	Undefined_Bond_Stereo_Count	0
28557	Undefined_Bond_Stereo_Count	0
68613	Covalent_Unit_Count	1
16682740	Non-hydrogen_Atom_Count	17
62118	Defined_Atom_Stereo_Count	0
61199	Defined_Bond_Stereo_Count	0
23199087	Exact_Mass	92.037448136
7153	Non-hydrogen_Atom_Count	14
17861	Undefined_Atom_Stereo_Count	0
118578546	XLogP3-AA	0.1
16132443	Rotatable_Bond_Count	41
447480	Defined_Atom_Stereo_Count	0
135542158	Isotope_Atom_Count	0
145946920	Molecular_Weight	796.9
53486260	Rotatable_Bond_Count	8
71622385	XLogP3-AA	1.3
2472	Hydrogen_Bond_Donor_Count	1
7085	Hydrogen_Bond_Acceptor_Count	3
56846240	TPSA	290
39075	Rotatable_Bond_Count	6
539061	Exact_Mass	548.29853298
3182	Defined_Atom_Stereo_Count	0
13220194	Non-hydrogen_Atom_Count	15
10209	XLogP3-AA	2.8
105426930	Undefined_Atom_Stereo_Count	3
6254	XLogP3-AA	2.7
241023	Covalent_Unit_Count	1
71311204	Non-hydrogen_Atom_Count	10
4722	TPSA	69.9
25917	Defined_Bond_Stereo_Count	0
168131	Non-hydrogen_Atom_Count	19
44345559	Rotatable_Bond_Count	6
82418996	Molecular_Weight	109.09
5355856	Mono_Isotopic_Weight	224.177630004
85787452	Structure_Complexity	134
53420268	Hydrogen_Bond_Donor_Count	0
135398515	Isotope_Atom_Count	0
5355026	Exact_Mass	218.167065321
25073049	Rotatable_Bond_Count	6
138891	TPSA	0
44563177	Hydrogen_Bond_Acceptor_Count	7
18759	Rotatable_Bond_Count	0
6436140	Mono_Isotopic_Weight	516.04095583
80972	Defined_Bond_Stereo_Count	0
21809017	Hydrogen_Bond_Donor_Count	0
6971007	Mono_Isotopic_Weight	180.06338810
6211	Non-hydrogen_Atom_Count	9
93680	TPSA	98.7
10214	Hydrogen_Bond_Acceptor_Count	17
92112	Undefined_Atom_Stereo_Count	0
12787245	Molecular_Weight	97.12
7274	Exact_Mass	126.068079557
100927764	Hydrogen_Bond_Acceptor_Count	4
123165994	Total_Formal_Charge	0
619	TPSA	98
3082460	Tautomer_Count	21
5291	Exact_Mass	493.25900864
3686	TPSA	72.8
122534114	TPSA	190
101031992	Non-hydrogen_Atom_Count	8
96865	TPSA	29.1
4451502	Rotatable_Bond_Count	2
117768413	Structure_Complexity	151
10458325	Mono_Isotopic_Weight	490.1338596
153791162	Hydrogen_Bond_Acceptor_Count	3
11126230	TPSA	29.5
57370084	Defined_Atom_Stereo_Count	5
13538	Covalent_Unit_Count	1
8388	Hydrogen_Bond_Acceptor_Count	3
52598	XLogP3-AA	3.7
15981237	Mono_Isotopic_Weight	434.0297083
83616	Structure_Complexity	224
90579	Covalent_Unit_Count	1
72163100	Non-hydrogen_Atom_Count	43
49985	Rotatable_Bond_Count	3
6940	Undefined_Atom_Stereo_Count	0
2977	Mono_Isotopic_Weight	314.224580195
5287851	Defined_Atom_Stereo_Count	2
11084068	Tautomer_Count	1
123664524	Total_Formal_Charge	0
70688017	Defined_Bond_Stereo_Count	0
99058	Hydrogen_Bond_Acceptor_Count	9
192160	Rotatable_Bond_Count	0
267577	Undefined_Atom_Stereo_Count	0
71622385	Molecular_Weight	152.19
10080510	Tautomer_Count	1
85979179	Hydrogen_Bond_Acceptor_Count	2
5249	Total_Formal_Charge	0
21430317	Undefined_Atom_Stereo_Count	2
7043949	Molecular_Weight	162.19
57429842	Molecular_Weight	114.14
16682999	Molecular_Weight	395.10
105037	Tautomer_Count	1
73162904	Undefined_Atom_Stereo_Count	0
22138511	TPSA	18.5
76319	Undefined_Bond_Stereo_Count	0
88462	Mono_Isotopic_Weight	230.11676108
13696436	Mono_Isotopic_Weight	335.9808379
23960	Non-hydrogen_Atom_Count	1
11672461	Covalent_Unit_Count	5
65106	Undefined_Atom_Stereo_Count	0
60209583	Hydrogen_Bond_Donor_Count	1
20055414	Covalent_Unit_Count	1
20639618	Undefined_Atom_Stereo_Count	0
105104	Defined_Atom_Stereo_Count	3
53967	Covalent_Unit_Count	1
42615	Structure_Complexity	2450
3086401	Defined_Atom_Stereo_Count	3
140799438	Undefined_Atom_Stereo_Count	0
91067785	Rotatable_Bond_Count	0
605283	Hydrogen_Bond_Donor_Count	2
178787	Hydrogen_Bond_Acceptor_Count	6
4051541	Rotatable_Bond_Count	0
98162749	Mono_Isotopic_Weight	284.16237386
6321412	XLogP3	0.2
9253	Structure_Complexity	11.6
398654	XLogP3-AA	0.5
21158442	Covalent_Unit_Count	1
101725836	Defined_Bond_Stereo_Count	2
65036	Total_Formal_Charge	0
2734161	Isotope_Atom_Count	0
47795	Mono_Isotopic_Weight	229.08268182
168365	Defined_Atom_Stereo_Count	0
53569	Hydrogen_Bond_Donor_Count	2
69149458	Undefined_Bond_Stereo_Count	0
7949	Undefined_Atom_Stereo_Count	0
5776	Defined_Bond_Stereo_Count	0
6436606	Undefined_Bond_Stereo_Count	0
5756	Isotope_Atom_Count	0
9387	Non-hydrogen_Atom_Count	26
9583	Total_Formal_Charge	0
5880	Defined_Atom_Stereo_Count	7
58645437	Hydrogen_Bond_Donor_Count	0
71583274	Hydrogen_Bond_Donor_Count	2
11790	Undefined_Atom_Stereo_Count	0
527568	Defined_Bond_Stereo_Count	0
133085	Defined_Atom_Stereo_Count	0
11077077	Undefined_Atom_Stereo_Count	0
2724235	Defined_Bond_Stereo_Count	0
15321731	TPSA	24.1
694647	Hydrogen_Bond_Acceptor_Count	2
92023654	Hydrogen_Bond_Acceptor_Count	14
9458	Mono_Isotopic_Weight	248.02964319
6918076	Defined_Bond_Stereo_Count	0
444006	Rotatable_Bond_Count	12
67204829	Total_Formal_Charge	0
2222	Non-hydrogen_Atom_Count	53
15191343	Hydrogen_Bond_Donor_Count	2
21724548	Undefined_Bond_Stereo_Count	0
6917857	TPSA	83.8
90078	Undefined_Bond_Stereo_Count	0
10290728	Total_Formal_Charge	0
2588	Structure_Complexity	1070
11876263	Hydrogen_Bond_Acceptor_Count	4
56910	Undefined_Bond_Stereo_Count	0
152807	Undefined_Atom_Stereo_Count	1
57363	XLogP3	3
28692	Undefined_Bond_Stereo_Count	0
11747	Total_Formal_Charge	0
3466040	Defined_Bond_Stereo_Count	0
11565240	TPSA	74.5
94355	Non-hydrogen_Atom_Count	8
346	Non-hydrogen_Atom_Count	19
12817963	Structure_Complexity	113
66783827	Undefined_Atom_Stereo_Count	2
14081616	Non-hydrogen_Atom_Count	8
2786	Covalent_Unit_Count	1
84434	Total_Formal_Charge	0
22932	XLogP3	7.4
8934	Molecular_Weight	319.2
36980	Molecular_Weight	223.09
439352	TPSA	42.5
76564	Exact_Mass	338.17380
21973793	Undefined_Bond_Stereo_Count	0
14842942	Molecular_Weight	204.06
82291	Mono_Isotopic_Weight	93.0345270
446873	Exact_Mass	169.01400935
10614	Tautomer_Count	1
8644	Tautomer_Count	1
17074527	XLogP3-AA	0
21321822	TPSA	6.5
11643846	Structure_Complexity	2330
70623	Isotope_Atom_Count	0
53960	TPSA	33.5
12933763	Hydrogen_Bond_Donor_Count	1
36688490	Rotatable_Bond_Count	2
34208	Non-hydrogen_Atom_Count	20
92277	Defined_Bond_Stereo_Count	0
87125982	Total_Formal_Charge	0
42317	Exact_Mass	307.15320616
548945	XLogP3-AA	3.5
9841075	Hydrogen_Bond_Acceptor_Count	4
8381	Defined_Atom_Stereo_Count	0
23116021	Exact_Mass	144.138839198
9899007	Total_Formal_Charge	0
1268142	Molecular_Weight	218.33
71316	XLogP3-AA	8.7
2733293	Non-hydrogen_Atom_Count	7
165506	XLogP3	2.8
23657874	Defined_Bond_Stereo_Count	0
60196366	Defined_Bond_Stereo_Count	0
119057560	Non-hydrogen_Atom_Count	52
75919	Molecular_Weight	122.17
441285	Undefined_Bond_Stereo_Count	0
89723675	TPSA	76.5
15766	Non-hydrogen_Atom_Count	13
8054	Exact_Mass	118.062994177
90714454	Exact_Mass	116.083729621
19066	Defined_Atom_Stereo_Count	0
98790	Non-hydrogen_Atom_Count	14
135398635	TPSA	155
60196301	Molecular_Weight	334.2
146935695	Hydrogen_Bond_Donor_Count	0
7628	Exact_Mass	62.0175241
9852746	Total_Formal_Charge	0
53932862	TPSA	17.1
41574	Tautomer_Count	3
23666112	TPSA	95.6
1203	Defined_Atom_Stereo_Count	0
137553931	Covalent_Unit_Count	1
4936	Isotope_Atom_Count	0
83976	Rotatable_Bond_Count	10
64154	Mono_Isotopic_Weight	170.0862282
46625	Exact_Mass	195.05315777
5480	Rotatable_Bond_Count	5
58559	Undefined_Bond_Stereo_Count	0
93738	Isotope_Atom_Count	0
75796	Non-hydrogen_Atom_Count	28
225	Defined_Bond_Stereo_Count	0
96135	Undefined_Bond_Stereo_Count	0
74328	Structure_Complexity	106
11181	Isotope_Atom_Count	0
159987	Hydrogen_Bond_Acceptor_Count	5
136130	Molecular_Weight	131.05
21379	Defined_Atom_Stereo_Count	0
59281403	Mono_Isotopic_Weight	417.13002593
64049	Hydrogen_Bond_Acceptor_Count	3
151173	Molecular_Weight	213.19
11954041	Non-hydrogen_Atom_Count	24
10285778	Covalent_Unit_Count	1
73001175	Mono_Isotopic_Weight	99.104799419
31620	Molecular_Weight	548.6
135	Rotatable_Bond_Count	1
67858481	Hydrogen_Bond_Acceptor_Count	2
7233	Hydrogen_Bond_Donor_Count	1
11084586	Undefined_Bond_Stereo_Count	0
20713453	Non-hydrogen_Atom_Count	8
3584	XLogP3-AA	2.7
101828545	Undefined_Bond_Stereo_Count	0
25171648	Undefined_Atom_Stereo_Count	0
9992	Structure_Complexity	74.4
2921148	Rotatable_Bond_Count	2
49838879	Undefined_Bond_Stereo_Count	0
45923684	Rotatable_Bond_Count	0
247818	Defined_Atom_Stereo_Count	0
118098295	Undefined_Atom_Stereo_Count	4
11159486	Non-hydrogen_Atom_Count	12
60155182	Undefined_Bond_Stereo_Count	0
9727	Non-hydrogen_Atom_Count	11
59296114	Exact_Mass	480.1131242
180335	Mono_Isotopic_Weight	351.1423633
143060	Undefined_Atom_Stereo_Count	0
77690	Isotope_Atom_Count	0
519642	Exact_Mass	110.01902136
637858	XLogP3-AA	2.1
15920061	TPSA	38
20531563	Exact_Mass	85.063997236
87661	Mono_Isotopic_Weight	349.22867977
117569444	Mono_Isotopic_Weight	100.100048391
3544692	Rotatable_Bond_Count	1
2449	Covalent_Unit_Count	1
57547	Covalent_Unit_Count	1
3140955	Hydrogen_Bond_Acceptor_Count	5
3082754	Defined_Atom_Stereo_Count	1
38876	Tautomer_Count	1
73949	Rotatable_Bond_Count	0
80528	Molecular_Weight	128.56
103648	TPSA	17.1
11504295	Undefined_Bond_Stereo_Count	0
85364156	Undefined_Atom_Stereo_Count	1
68009	Rotatable_Bond_Count	1
118158	Non-hydrogen_Atom_Count	6
504571	Undefined_Bond_Stereo_Count	0
7608	Covalent_Unit_Count	1
11381	Defined_Atom_Stereo_Count	0
7525	Mono_Isotopic_Weight	115.099714038
10102	Hydrogen_Bond_Acceptor_Count	0
5319879	Mono_Isotopic_Weight	356.29265975
178565	Tautomer_Count	4
484646	Covalent_Unit_Count	1
54516038	Exact_Mass	117.078978594
90829381	Total_Formal_Charge	0
6918091	TPSA	213
100413	Total_Formal_Charge	0
9865554	Total_Formal_Charge	0
140557163	Undefined_Atom_Stereo_Count	2
11765960	Structure_Complexity	1560
10240761	Non-hydrogen_Atom_Count	6
114523	XLogP3-AA	2.6
16158473	Hydrogen_Bond_Donor_Count	52
51763	TPSA	62.4
5359	Undefined_Bond_Stereo_Count	0
5481119	Defined_Bond_Stereo_Count	0
21340555	XLogP3-AA	3.2
85944292	Undefined_Atom_Stereo_Count	0
6044	Molecular_Weight	357.16
251513	Defined_Atom_Stereo_Count	0
135565932	Mono_Isotopic_Weight	560.11995504
439517	TPSA	125
6867	Mono_Isotopic_Weight	203.094628657
75355757	TPSA	33
40466988	Rotatable_Bond_Count	11
3510	Structure_Complexity	442
70693116	Non-hydrogen_Atom_Count	31
10436103	Hydrogen_Bond_Acceptor_Count	16
89239	Non-hydrogen_Atom_Count	8
16683004	Exact_Mass	1052.40908
9888347	Rotatable_Bond_Count	6
145705672	Rotatable_Bond_Count	10
263086	Tautomer_Count	2
13465027	Hydrogen_Bond_Acceptor_Count	2
6183479	XLogP3	0.3
4599	Isotope_Atom_Count	0
124770289	Undefined_Atom_Stereo_Count	0
57328385	Defined_Atom_Stereo_Count	0
77524	XLogP3-AA	1.2
21474	Defined_Atom_Stereo_Count	0
53756508	Molecular_Weight	100.12
61638	Tautomer_Count	1
57399796	Covalent_Unit_Count	1
74	Defined_Bond_Stereo_Count	0
5281650	Defined_Atom_Stereo_Count	0
25080	Undefined_Atom_Stereo_Count	0
18364059	Defined_Bond_Stereo_Count	0
72258	Molecular_Weight	163.17
318280	Total_Formal_Charge	0
78035	Molecular_Weight	83.09
3559	Rotatable_Bond_Count	6
30154	Mono_Isotopic_Weight	98.950726
32350	Undefined_Atom_Stereo_Count	0
66954934	Hydrogen_Bond_Acceptor_Count	1
52987927	Covalent_Unit_Count	1
3862	Covalent_Unit_Count	1
57224326	Hydrogen_Bond_Acceptor_Count	1
9989226	Defined_Atom_Stereo_Count	0
991	XLogP3	3.8
4688	Molecular_Weight	159.23
21014990	Defined_Atom_Stereo_Count	0
149229	Defined_Bond_Stereo_Count	0
656668	Total_Formal_Charge	0
2762659	Undefined_Atom_Stereo_Count	0
11593	Defined_Atom_Stereo_Count	0
22648408	Hydrogen_Bond_Donor_Count	2
6420022	Exact_Mass	331.1161486
11508058	Isotope_Atom_Count	0
156432753	Isotope_Atom_Count	0
448388	Exact_Mass	180.06338810
72200444	Rotatable_Bond_Count	16
24041599	Defined_Bond_Stereo_Count	0
3274	Isotope_Atom_Count	0
20324725	Undefined_Bond_Stereo_Count	0
54758307	TPSA	92.1
9961939	Mono_Isotopic_Weight	726.07603
121135	Total_Formal_Charge	0
11205	Exact_Mass	331.66925
36131	Covalent_Unit_Count	1
57174031	Defined_Bond_Stereo_Count	0
188914	Exact_Mass	274.1003540
38359009	Defined_Atom_Stereo_Count	6
46832769	Molecular_Weight	182.22
10964417	Total_Formal_Charge	0
40895	Isotope_Atom_Count	0
5364711	Total_Formal_Charge	0
44419235	Defined_Bond_Stereo_Count	0
3976	Covalent_Unit_Count	1
44402	Tautomer_Count	3
51375035	Undefined_Atom_Stereo_Count	0
20656	Total_Formal_Charge	0
123565918	Isotope_Atom_Count	0
2227	Hydrogen_Bond_Donor_Count	4
5280490	XLogP3	6.2
542152	Tautomer_Count	1
68809	Defined_Bond_Stereo_Count	0
19888391	Isotope_Atom_Count	0
18204	Mono_Isotopic_Weight	160.157563266
11632418	Covalent_Unit_Count	1
17857	XLogP3-AA	1.1
60155366	Hydrogen_Bond_Donor_Count	0
3164136	Non-hydrogen_Atom_Count	10
623	Exact_Mass	387.02326768
12561739	Non-hydrogen_Atom_Count	10
10461263	Undefined_Atom_Stereo_Count	1
637578	Rotatable_Bond_Count	3
618566	Exact_Mass	428.99761
582251	Defined_Bond_Stereo_Count	0
543112	Total_Formal_Charge	0
82326	Covalent_Unit_Count	2
8270	Undefined_Bond_Stereo_Count	0
6950199	Covalent_Unit_Count	1
16183	Defined_Bond_Stereo_Count	0
34515	Isotope_Atom_Count	0
112072	Defined_Bond_Stereo_Count	0
23663964	Mono_Isotopic_Weight	397.08902930
452245	Defined_Bond_Stereo_Count	0
25201827	Structure_Complexity	329
440113	Isotope_Atom_Count	0
163050680	Hydrogen_Bond_Acceptor_Count	5
116161184	Covalent_Unit_Count	1
4168142	Isotope_Atom_Count	0
164652	Hydrogen_Bond_Donor_Count	4
17244	Hydrogen_Bond_Donor_Count	0
3806	TPSA	54.4
8482	Mono_Isotopic_Weight	214.04121336
56238	Defined_Atom_Stereo_Count	0
69070	Covalent_Unit_Count	1
10672195	Covalent_Unit_Count	1
222155	Covalent_Unit_Count	1
123671885	Covalent_Unit_Count	1
312915	Exact_Mass	473.24135246
439693	Defined_Atom_Stereo_Count	4
12375523	XLogP3-AA	0.3
102068104	XLogP3-AA	1
6603149	Defined_Bond_Stereo_Count	0
117186636	Covalent_Unit_Count	1
3034255	Molecular_Weight	184.18
12218432	Undefined_Bond_Stereo_Count	0
10928	Non-hydrogen_Atom_Count	6
116842112	Hydrogen_Bond_Acceptor_Count	1
26117	Molecular_Weight	176.17
11702	Covalent_Unit_Count	1
7181	Non-hydrogen_Atom_Count	18
940	Structure_Complexity	314
13587089	Defined_Bond_Stereo_Count	0
444346	Undefined_Bond_Stereo_Count	0
961335	Hydrogen_Bond_Acceptor_Count	3
3522273	Molecular_Weight	449.6
13054977	Exact_Mass	109.063997236
21139953	Hydrogen_Bond_Acceptor_Count	2
813505	TPSA	91.3
74864	Defined_Bond_Stereo_Count	0
40467085	Non-hydrogen_Atom_Count	33
148931549	Defined_Bond_Stereo_Count	1
44454985	Hydrogen_Bond_Acceptor_Count	11
62852	TPSA	99.4
24116	Total_Formal_Charge	0
5668	Covalent_Unit_Count	1
9583	Isotope_Atom_Count	0
513955	Mono_Isotopic_Weight	653.32470541
71237	Mono_Isotopic_Weight	277.04802588
6168	Rotatable_Bond_Count	3
284980	Mono_Isotopic_Weight	217.9901349
10271170	Hydrogen_Bond_Donor_Count	2
853433	Exact_Mass	164.083729621
5459220	Defined_Bond_Stereo_Count	2
54698175	Exact_Mass	542.17049376
53318410	Molecular_Weight	253.29
13356643	Hydrogen_Bond_Donor_Count	1
21823262	Covalent_Unit_Count	1
3866	Covalent_Unit_Count	1
56658717	Total_Formal_Charge	0
137735	Undefined_Atom_Stereo_Count	0
13089918	Hydrogen_Bond_Donor_Count	0
5284594	Molecular_Weight	339.4
129735833	Non-hydrogen_Atom_Count	11
1385867	Defined_Atom_Stereo_Count	0
6360	Tautomer_Count	1
5463411	XLogP3-AA	3.6
5211	Non-hydrogen_Atom_Count	26
49227	Rotatable_Bond_Count	5
5353635	Mono_Isotopic_Weight	324.10698424
15570	Rotatable_Bond_Count	0
9467	Tautomer_Count	1
54586719	Non-hydrogen_Atom_Count	22
11954041	Undefined_Bond_Stereo_Count	0
288549	Hydrogen_Bond_Donor_Count	0
28281	Tautomer_Count	5
140552347	Exact_Mass	111.043261792
21263577	Total_Formal_Charge	0
2766847	Structure_Complexity	151
16217215	Isotope_Atom_Count	0
2723810	Tautomer_Count	1
69365	Undefined_Bond_Stereo_Count	0
5284391	Undefined_Bond_Stereo_Count	0
70263	Total_Formal_Charge	0
56649416	Defined_Atom_Stereo_Count	11
825353	Rotatable_Bond_Count	4
8585	Defined_Bond_Stereo_Count	0
15660	Non-hydrogen_Atom_Count	15
86646597	Undefined_Bond_Stereo_Count	0
520	XLogP3-AA	2.4
19917	Covalent_Unit_Count	1
66561	Covalent_Unit_Count	1
3966	Defined_Atom_Stereo_Count	0
45934203	Molecular_Weight	281.26
17117	Undefined_Atom_Stereo_Count	0
524653	Mono_Isotopic_Weight	98.109550447
54230	XLogP3-AA	3.3
59856471	Mono_Isotopic_Weight	757.37204952
85859507	Mono_Isotopic_Weight	115.063328530
14417041	Exact_Mass	113.084063974
33599	Defined_Bond_Stereo_Count	0
129634850	Exact_Mass	98.048012819
220705	Isotope_Atom_Count	0
158294441	Non-hydrogen_Atom_Count	8
25202592	Total_Formal_Charge	0
18934227	Exact_Mass	99.032028402
57340472	Undefined_Bond_Stereo_Count	0
22975832	Non-hydrogen_Atom_Count	7
5282215	Total_Formal_Charge	0
79960033	Undefined_Atom_Stereo_Count	1
9555	Isotope_Atom_Count	0
54561872	Molecular_Weight	95.14
99858	Exact_Mass	264.11100700
75195	Total_Formal_Charge	0
130028471	Non-hydrogen_Atom_Count	8
61562434	Isotope_Atom_Count	0
1111	Hydrogen_Bond_Donor_Count	10
656829	Tautomer_Count	1
112680	Isotope_Atom_Count	0
119307	TPSA	140
5282165	Tautomer_Count	4
54586720	Molecular_Weight	314.4
12773795	TPSA	27
740525	Isotope_Atom_Count	0
12735	Undefined_Bond_Stereo_Count	0
97041723	Mono_Isotopic_Weight	790.22615588
4302960	Hydrogen_Bond_Acceptor_Count	5
43806	Hydrogen_Bond_Donor_Count	2
10949	Hydrogen_Bond_Acceptor_Count	5
5328940	Isotope_Atom_Count	0
90360523	Undefined_Bond_Stereo_Count	0
20011	Mono_Isotopic_Weight	250.0752019
91826865	Non-hydrogen_Atom_Count	12
11320921	Defined_Atom_Stereo_Count	0
54069261	Molecular_Weight	116.07
53248849	Structure_Complexity	335
16073666	XLogP3-AA	4.8
16218793	TPSA	74.8
75836	Exact_Mass	214.193280068
7669	Total_Formal_Charge	0
13019052	Defined_Atom_Stereo_Count	3
348669	Hydrogen_Bond_Acceptor_Count	6
16932	TPSA	0
6316	Tautomer_Count	1
10460376	Structure_Complexity	1060
17572160	Rotatable_Bond_Count	31
20145495	Rotatable_Bond_Count	2
2756390	Structure_Complexity	269
69452237	Isotope_Atom_Count	0
802074	XLogP3-AA	4.8
155259577	Isotope_Atom_Count	0
65737	Structure_Complexity	449
76716	Molecular_Weight	350.4
66081	Tautomer_Count	1
562767	Undefined_Atom_Stereo_Count	1
24785538	TPSA	116
89280865	Undefined_Atom_Stereo_Count	1
557816	Undefined_Atom_Stereo_Count	1
44395161	Undefined_Bond_Stereo_Count	0
21323	Tautomer_Count	3
7926	Total_Formal_Charge	0
6421	Covalent_Unit_Count	1
71911	Covalent_Unit_Count	1
116021439	Total_Formal_Charge	0
91662	Defined_Bond_Stereo_Count	0
50293	Mono_Isotopic_Weight	228.901960
24848283	Hydrogen_Bond_Acceptor_Count	5
13711	Non-hydrogen_Atom_Count	16
23519852	Covalent_Unit_Count	1
135177116	Covalent_Unit_Count	1
96135	Undefined_Atom_Stereo_Count	0
23688461	Rotatable_Bond_Count	0
7607	XLogP3	4.2
49863420	Total_Formal_Charge	1
11207217	Isotope_Atom_Count	0
650625	Molecular_Weight	268.24
141897	Tautomer_Count	1
162290	Covalent_Unit_Count	3
114682	Rotatable_Bond_Count	2
3811100	Isotope_Atom_Count	0
101444	Defined_Bond_Stereo_Count	0
2723877	Total_Formal_Charge	0
449381	Non-hydrogen_Atom_Count	20
129600765	Hydrogen_Bond_Acceptor_Count	11
5351279	TPSA	7.8
140273	Molecular_Weight	113.16
17656	Total_Formal_Charge	0
88268487	Hydrogen_Bond_Donor_Count	1
13266	Structure_Complexity	236
77544	Rotatable_Bond_Count	4
69144	Hydrogen_Bond_Donor_Count	0
19041	Isotope_Atom_Count	0
57131946	Exact_Mass	180.115029749
246	Total_Formal_Charge	0
57493771	Defined_Bond_Stereo_Count	0
19193	Molecular_Weight	109.13
11693901	Exact_Mass	114.031694049
135400456	Undefined_Bond_Stereo_Count	0
5311000	Undefined_Atom_Stereo_Count	0
5311047	Undefined_Atom_Stereo_Count	0
2596914	Exact_Mass	372.11437830
179336	Rotatable_Bond_Count	0
41574	Hydrogen_Bond_Acceptor_Count	5
18069	Defined_Bond_Stereo_Count	0
45358438	XLogP3-AA	3.2
23677967	Isotope_Atom_Count	0
66487	Covalent_Unit_Count	1
45116687	Defined_Bond_Stereo_Count	0
88398	Covalent_Unit_Count	1
55285553	Covalent_Unit_Count	1
519382	Isotope_Atom_Count	0
11734	Mono_Isotopic_Weight	107.9978071
188914	Defined_Bond_Stereo_Count	0
95890	TPSA	17.8
13444041	TPSA	45
5362123	Structure_Complexity	619
19756	Mono_Isotopic_Weight	184.063662883
79045	Isotope_Atom_Count	0
64644	TPSA	121
123670820	Non-hydrogen_Atom_Count	23
22875828	Exact_Mass	390.18425212
181749	Non-hydrogen_Atom_Count	7
138950	Defined_Atom_Stereo_Count	0
216416	Hydrogen_Bond_Acceptor_Count	3
9874838	Molecular_Weight	657.8
52361	Defined_Bond_Stereo_Count	0
135418283	Defined_Bond_Stereo_Count	1
22081030	Hydrogen_Bond_Donor_Count	0
135686255	Total_Formal_Charge	0
43262	TPSA	80.6
65484	Defined_Atom_Stereo_Count	0
32343	Covalent_Unit_Count	3
72430	TPSA	84.5
22398442	Non-hydrogen_Atom_Count	8
10298	Hydrogen_Bond_Acceptor_Count	3
30921	Defined_Atom_Stereo_Count	0
147630	Defined_Bond_Stereo_Count	0
442482	Rotatable_Bond_Count	1
445638	Total_Formal_Charge	0
41245	Defined_Atom_Stereo_Count	0
10298	Defined_Atom_Stereo_Count	0
3040	XLogP3	3.6
17549	Isotope_Atom_Count	0
56256	Mono_Isotopic_Weight	210.06806746
19735771	Exact_Mass	112.063662883
86367	Undefined_Bond_Stereo_Count	0
265810	Defined_Atom_Stereo_Count	0
129769827	Defined_Bond_Stereo_Count	0
3081276	Defined_Atom_Stereo_Count	7
17572160	Total_Formal_Charge	0
21228	Total_Formal_Charge	0
132281917	Total_Formal_Charge	0
10575614	Hydrogen_Bond_Donor_Count	1
5939	Non-hydrogen_Atom_Count	7
40326	TPSA	35.5
2528	Exact_Mass	627.7853
5516	XLogP3-AA	7.2
29647	Exact_Mass	515.99670823
135398627	Isotope_Atom_Count	0
12406	Mono_Isotopic_Weight	352.406901659
15092989	Hydrogen_Bond_Donor_Count	0
53174	Non-hydrogen_Atom_Count	20
74089	Rotatable_Bond_Count	4
2202	Structure_Complexity	287
193270	Defined_Atom_Stereo_Count	1
11478	Rotatable_Bond_Count	2
794	TPSA	83
89422816	Structure_Complexity	67.4
54597740	Hydrogen_Bond_Donor_Count	3
57229732	Exact_Mass	116.058577502
372	Total_Formal_Charge	0
136219155	Undefined_Bond_Stereo_Count	0
97127	Defined_Atom_Stereo_Count	0
158785912	Undefined_Atom_Stereo_Count	1
194637	Exact_Mass	590.28930571
71305059	Mono_Isotopic_Weight	421.11618739
5474229	Undefined_Bond_Stereo_Count	0
101365706	Hydrogen_Bond_Acceptor_Count	2
12656387	Structure_Complexity	128
6713	Hydrogen_Bond_Acceptor_Count	5
143565	Total_Formal_Charge	0
80369	Total_Formal_Charge	0
52038	Undefined_Bond_Stereo_Count	0
517327	Rotatable_Bond_Count	1
68016	Tautomer_Count	1
91496	Mono_Isotopic_Weight	152.120115130
3085023	Molecular_Weight	114.15
16212960	Exact_Mass	182.07009777
135643052	Mono_Isotopic_Weight	224.07970687
16623	TPSA	138
44562	Hydrogen_Bond_Acceptor_Count	3
104285	Mono_Isotopic_Weight	213.99783514
12555	Structure_Complexity	344
94987	Total_Formal_Charge	0
105426944	Exact_Mass	101.084063974
4114	Rotatable_Bond_Count	1
31473	Defined_Bond_Stereo_Count	0
36188	Defined_Bond_Stereo_Count	0
36606	Total_Formal_Charge	0
3717	Undefined_Bond_Stereo_Count	0
54584258	Mono_Isotopic_Weight	456.11609
4108	Covalent_Unit_Count	1
6426773	Molecular_Weight	612.8
91151945	Hydrogen_Bond_Acceptor_Count	11
7017101	Molecular_Weight	124.14
57392965	Covalent_Unit_Count	1
59567216	Defined_Bond_Stereo_Count	0
102426	Non-hydrogen_Atom_Count	20
23676736	Non-hydrogen_Atom_Count	30
3052	Undefined_Bond_Stereo_Count	0
1012	Defined_Atom_Stereo_Count	0
12399560	Isotope_Atom_Count	0
6919	Structure_Complexity	99.8
69341027	Hydrogen_Bond_Acceptor_Count	2
535479	Isotope_Atom_Count	0
60196390	Hydrogen_Bond_Acceptor_Count	6
62542	Undefined_Atom_Stereo_Count	0
11263471	Structure_Complexity	131
13661819	Hydrogen_Bond_Donor_Count	1
427860	Isotope_Atom_Count	0
137843	Hydrogen_Bond_Acceptor_Count	0
22910010	Undefined_Bond_Stereo_Count	0
520527	Mono_Isotopic_Weight	80.062600255
20316	Hydrogen_Bond_Donor_Count	0
6444037	Undefined_Atom_Stereo_Count	0
2415	Undefined_Bond_Stereo_Count	0
9884642	XLogP3	4.1
439524	Hydrogen_Bond_Donor_Count	2
704528	Defined_Atom_Stereo_Count	1
135459971	Hydrogen_Bond_Donor_Count	4
21696199	Undefined_Bond_Stereo_Count	0
16404350	Hydrogen_Bond_Acceptor_Count	12
16212959	Defined_Bond_Stereo_Count	0
320459	Isotope_Atom_Count	0
5311283	Rotatable_Bond_Count	9
30664	Structure_Complexity	36.9
542317	Rotatable_Bond_Count	5
19596	Defined_Bond_Stereo_Count	0
3025961	Structure_Complexity	251
88359	Exact_Mass	112.063662883
12508473	Hydrogen_Bond_Donor_Count	3
3625248	Rotatable_Bond_Count	0
28788	Hydrogen_Bond_Donor_Count	1
6441385	XLogP3	5.5
135983	Total_Formal_Charge	0
7368	Hydrogen_Bond_Acceptor_Count	3
951315	Defined_Bond_Stereo_Count	0
10953450	TPSA	30.2
98423	Defined_Bond_Stereo_Count	0
142243302	Non-hydrogen_Atom_Count	7
126521	Defined_Bond_Stereo_Count	0
1382059	Rotatable_Bond_Count	1
21802862	Exact_Mass	114.042927438
19594968	Isotope_Atom_Count	0
44455014	Rotatable_Bond_Count	6
98473	Non-hydrogen_Atom_Count	28
736530	Hydrogen_Bond_Donor_Count	0
162349	Rotatable_Bond_Count	6
53960	Mono_Isotopic_Weight	296.1655411
11377	Exact_Mass	144.068748264
18798529	Hydrogen_Bond_Acceptor_Count	0
100933147	Total_Formal_Charge	0
140751	Hydrogen_Bond_Acceptor_Count	1
9546757	Undefined_Bond_Stereo_Count	0
25104740	Defined_Bond_Stereo_Count	0
40602794	Defined_Atom_Stereo_Count	1
83703	Rotatable_Bond_Count	0
6433208	Covalent_Unit_Count	3
14066	Undefined_Atom_Stereo_Count	0
11375816	Defined_Bond_Stereo_Count	0
24389	Hydrogen_Bond_Donor_Count	1
440175	Rotatable_Bond_Count	3
33353	Structure_Complexity	834
6247	Structure_Complexity	206
25171662	TPSA	117
65923	Total_Formal_Charge	0
16219744	Exact_Mass	252.0165308
402	TPSA	1
3048355	Structure_Complexity	432
3568	Tautomer_Count	383
130390356	Non-hydrogen_Atom_Count	8
2724032	Hydrogen_Bond_Acceptor_Count	1
59050128	Molecular_Weight	111.15
6954	Undefined_Atom_Stereo_Count	0
17816	Covalent_Unit_Count	1
93804	Molecular_Weight	608.3
20581047	Rotatable_Bond_Count	0
409747	Structure_Complexity	61.2
11442891	Exact_Mass	474.23793884
5280450	Total_Formal_Charge	0
14069104	Undefined_Atom_Stereo_Count	2
24978601	Total_Formal_Charge	0
21158	Molecular_Weight	86.13
135409471	Defined_Bond_Stereo_Count	0
885959	Defined_Atom_Stereo_Count	0
72201	Tautomer_Count	3
869	Non-hydrogen_Atom_Count	54
19648	TPSA	922
9848818	Tautomer_Count	2
2153	TPSA	69.3
160230029	XLogP3-AA	0.8
54411340	Rotatable_Bond_Count	0
81588	Rotatable_Bond_Count	2
65905	Structure_Complexity	333
274412	Exact_Mass	114.068079557
68741938	Defined_Bond_Stereo_Count	0
22525209	Exact_Mass	811.47314329
6436661	Molecular_Weight	626.5
21576696	Rotatable_Bond_Count	9
9354	Hydrogen_Bond_Donor_Count	4
146779553	TPSA	0
9908880	Exact_Mass	399.16191458
135403802	Undefined_Atom_Stereo_Count	1
54261087	Covalent_Unit_Count	1
71459165	Molecular_Weight	292.4
12964	Rotatable_Bond_Count	2
69162577	Hydrogen_Bond_Donor_Count	1
3806	Exact_Mass	174.031694049
71450115	Hydrogen_Bond_Donor_Count	2
9839306	Non-hydrogen_Atom_Count	22
16721	Hydrogen_Bond_Acceptor_Count	6
89545750	Defined_Bond_Stereo_Count	5
32816	Isotope_Atom_Count	0
67807	Defined_Bond_Stereo_Count	0
16205480	Hydrogen_Bond_Acceptor_Count	3
4676	Isotope_Atom_Count	0
24180680	Isotope_Atom_Count	0
10621272	Hydrogen_Bond_Donor_Count	4
31423	Rotatable_Bond_Count	0
70691405	Undefined_Atom_Stereo_Count	4
3476	Isotope_Atom_Count	0
44342925	Defined_Atom_Stereo_Count	2
461128	Structure_Complexity	666
629392	Undefined_Atom_Stereo_Count	0
21832123	Structure_Complexity	30.1
23465004	TPSA	20.2
1707	Structure_Complexity	794
12556904	TPSA	37.3
11525	Hydrogen_Bond_Acceptor_Count	1
78330	Undefined_Atom_Stereo_Count	0
91264731	Total_Formal_Charge	0
825	Molecular_Weight	131.13
77408	Hydrogen_Bond_Acceptor_Count	1
13204	Exact_Mass	114.068079557
12059921	Hydrogen_Bond_Acceptor_Count	1
50993724	Defined_Bond_Stereo_Count	0
24087	Undefined_Atom_Stereo_Count	0
62418	Hydrogen_Bond_Acceptor_Count	3
55241	Rotatable_Bond_Count	7
23673837	Hydrogen_Bond_Donor_Count	0
12997	XLogP3-AA	4.6
132274082	Undefined_Atom_Stereo_Count	2
9094	Rotatable_Bond_Count	0
9136	Structure_Complexity	266
24875372	Isotope_Atom_Count	0
135546482	Isotope_Atom_Count	0
6190	Defined_Atom_Stereo_Count	5
8986	Tautomer_Count	1
3351	Rotatable_Bond_Count	5
11647372	Undefined_Atom_Stereo_Count	0
74764517	Isotope_Atom_Count	0
13888	Covalent_Unit_Count	1
153241	Defined_Atom_Stereo_Count	1
16536	Total_Formal_Charge	0
29124	Molecular_Weight	229.28
138393806	Covalent_Unit_Count	1
66602	Covalent_Unit_Count	1
23673837	Defined_Bond_Stereo_Count	0
26445	Tautomer_Count	1
17038	Isotope_Atom_Count	0
24972597	Mono_Isotopic_Weight	113.084063974
558502	Isotope_Atom_Count	0
12713	Isotope_Atom_Count	0
5284648	XLogP3-AA	2.1
16682730	Non-hydrogen_Atom_Count	11
56598471	Defined_Atom_Stereo_Count	0
4026	Rotatable_Bond_Count	9
5777	Isotope_Atom_Count	0
139088888	Total_Formal_Charge	0
51049607	Structure_Complexity	422
3000322	TPSA	62.3
73049652	Mono_Isotopic_Weight	958.10256
476260	XLogP3-AA	3.2
135529432	Hydrogen_Bond_Donor_Count	3
198212	Structure_Complexity	227
67406	Defined_Bond_Stereo_Count	0
23350	Total_Formal_Charge	0
74406	Undefined_Atom_Stereo_Count	0
44717198	Mono_Isotopic_Weight	229.1624925
70122	Isotope_Atom_Count	0
444008	Structure_Complexity	636
53856389	XLogP3-AA	1.1
2978	TPSA	29.5
10051341	Molecular_Weight	492.6
10772937	Undefined_Atom_Stereo_Count	1
135532293	Molecular_Weight	190.09
636371	Molecular_Weight	372.24
15081	Rotatable_Bond_Count	0
50367	Rotatable_Bond_Count	3
68840	Total_Formal_Charge	0
22335779	Undefined_Atom_Stereo_Count	2
15690	Structure_Complexity	110
42586	Undefined_Atom_Stereo_Count	1
118797622	Non-hydrogen_Atom_Count	12
3692	Undefined_Bond_Stereo_Count	0
86063	Undefined_Bond_Stereo_Count	0
39860	Structure_Complexity	524
65595	Hydrogen_Bond_Donor_Count	1
6995013	Rotatable_Bond_Count	6
570603	Mono_Isotopic_Weight	106.053098200
146157736	Covalent_Unit_Count	1
458420	Mono_Isotopic_Weight	86.02286070
41881	Rotatable_Bond_Count	11
9579252	Hydrogen_Bond_Acceptor_Count	6
192154	Defined_Atom_Stereo_Count	7
5464084	Tautomer_Count	1
1892	Hydrogen_Bond_Donor_Count	1
5034	Non-hydrogen_Atom_Count	21
245	Structure_Complexity	480
4848	Undefined_Atom_Stereo_Count	0
69685	TPSA	45.5
72566	Defined_Atom_Stereo_Count	0
507806	TPSA	105
55286155	Structure_Complexity	93.7
18170	Mono_Isotopic_Weight	149.02992040
22507733	Structure_Complexity	52
215	Hydrogen_Bond_Donor_Count	1
5323927	Covalent_Unit_Count	1
1443	Molecular_Weight	318.4
27919	Molecular_Weight	177.20
23680486	Rotatable_Bond_Count	7
54315893	Isotope_Atom_Count	0
219401	Hydrogen_Bond_Acceptor_Count	2
11749858	Defined_Bond_Stereo_Count	0
16217	Defined_Atom_Stereo_Count	0
131167766	Undefined_Atom_Stereo_Count	3
102856	Total_Formal_Charge	0
91617630	Non-hydrogen_Atom_Count	28
9817917	Undefined_Bond_Stereo_Count	0
443210	Undefined_Bond_Stereo_Count	0
62098	Molecular_Weight	192.21
12093171	Defined_Atom_Stereo_Count	0
26879	Defined_Atom_Stereo_Count	1
12623293	Molecular_Weight	94.15
129737769	Defined_Bond_Stereo_Count	0
22542	Rotatable_Bond_Count	12
90736069	Hydrogen_Bond_Donor_Count	2
5287851	Molecular_Weight	315.41
12579106	Covalent_Unit_Count	1
5284572	Isotope_Atom_Count	0
12381421	Exact_Mass	96.057514874
160280695	Defined_Atom_Stereo_Count	0
138122	Undefined_Bond_Stereo_Count	0
14417887	Total_Formal_Charge	0
67246725	Defined_Atom_Stereo_Count	0
61396	Hydrogen_Bond_Donor_Count	1
285725	Defined_Atom_Stereo_Count	0
13396	Molecular_Weight	118.14
53893636	Hydrogen_Bond_Donor_Count	1
44193111	Hydrogen_Bond_Donor_Count	1
53723270	Hydrogen_Bond_Donor_Count	0
19835	Mono_Isotopic_Weight	160.146329876
86266	Tautomer_Count	1
28467	TPSA	86.8
63656079	Rotatable_Bond_Count	2
67314475	Exact_Mass	109.063997236
2713	XLogP3	0.1
129606990	TPSA	239
91323352	Molecular_Weight	453.5
4397	Structure_Complexity	509
20654321	Undefined_Bond_Stereo_Count	0
57340472	Defined_Atom_Stereo_Count	0
20172	Isotope_Atom_Count	0
16202184	Mono_Isotopic_Weight	384.15976871
16399351	Hydrogen_Bond_Donor_Count	1
40391	TPSA	32.7
5489638	Undefined_Atom_Stereo_Count	0
53950495	Molecular_Weight	116.16
2455	Hydrogen_Bond_Donor_Count	1
878	Mono_Isotopic_Weight	48.00337130
12734569	Defined_Bond_Stereo_Count	0
154515422	Structure_Complexity	82.4
123664524	Molecular_Weight	114.19
4871	Rotatable_Bond_Count	3
105084	Rotatable_Bond_Count	1
21655019	Rotatable_Bond_Count	0
139256539	Undefined_Bond_Stereo_Count	0
124427925	Covalent_Unit_Count	1
54419673	Hydrogen_Bond_Donor_Count	1
68093	Non-hydrogen_Atom_Count	17
59966648	Hydrogen_Bond_Donor_Count	3
6604438	Hydrogen_Bond_Donor_Count	4
446275	Undefined_Atom_Stereo_Count	0
67948733	TPSA	98.1
96389	Hydrogen_Bond_Donor_Count	1
10407447	TPSA	12.5
70040	Covalent_Unit_Count	1
154392753	Rotatable_Bond_Count	1
22967002	Rotatable_Bond_Count	0
61265	Exact_Mass	115.099714038
438	TPSA	70.4
31098	Total_Formal_Charge	0
1206	XLogP3	2.1
14130	Structure_Complexity	212
65743	Undefined_Bond_Stereo_Count	0
67214	Molecular_Weight	406.4
5311236	Hydrogen_Bond_Donor_Count	3
98086793	Undefined_Atom_Stereo_Count	0
436543	Rotatable_Bond_Count	1
59059041	Hydrogen_Bond_Acceptor_Count	3
63996	Structure_Complexity	469
62802	Hydrogen_Bond_Acceptor_Count	4
9901	Mono_Isotopic_Weight	312.208930132
42754	TPSA	29.1
12519677	Rotatable_Bond_Count	1
129508	Total_Formal_Charge	0
7059	Undefined_Atom_Stereo_Count	0
61631	Non-hydrogen_Atom_Count	12
11292963	Defined_Atom_Stereo_Count	6
140554	Undefined_Bond_Stereo_Count	0
25150753	Molecular_Weight	356.4
11957515	TPSA	23.5
5462508	Non-hydrogen_Atom_Count	20
5324781	TPSA	41.8
10098	Tautomer_Count	5
16993	Undefined_Atom_Stereo_Count	1
520682	Non-hydrogen_Atom_Count	7
6715	Rotatable_Bond_Count	1
6918939	Defined_Bond_Stereo_Count	0
3676	Rotatable_Bond_Count	5
115205	Tautomer_Count	3
139759	Exact_Mass	14.03200687
11946	Exact_Mass	174.042927438
153	Total_Formal_Charge	0
239041	Rotatable_Bond_Count	0
121630	Exact_Mass	99.068413911
18324177	Non-hydrogen_Atom_Count	7
2777208	Covalent_Unit_Count	1
90957031	Hydrogen_Bond_Donor_Count	1
22218878	Covalent_Unit_Count	1
69242	Isotope_Atom_Count	0
54757474	XLogP3-AA	4.7
12705044	Hydrogen_Bond_Donor_Count	0
6538999	Undefined_Atom_Stereo_Count	1
63397	Tautomer_Count	1
23688957	Structure_Complexity	46.8
13149570	Non-hydrogen_Atom_Count	8
54023535	Undefined_Bond_Stereo_Count	0
3916	Covalent_Unit_Count	1
74229	Total_Formal_Charge	0
25199890	Total_Formal_Charge	0
11917	Isotope_Atom_Count	0
139099	Exact_Mass	100.088815002
5464110	Defined_Bond_Stereo_Count	0
13097	Molecular_Weight	278.3
136874	Defined_Atom_Stereo_Count	0
115817	Mono_Isotopic_Weight	412.0262629
90479783	Hydrogen_Bond_Acceptor_Count	10
148531825	Mono_Isotopic_Weight	100.100048391
20890	Tautomer_Count	5
77	Undefined_Bond_Stereo_Count	0
53779803	Structure_Complexity	51.9
35399	XLogP3-AA	1.4
124018515	Defined_Bond_Stereo_Count	0
21192814	Covalent_Unit_Count	1
67797735	Molecular_Weight	339.4
8195	Undefined_Bond_Stereo_Count	0
5489012	Tautomer_Count	2
16490	TPSA	94.8
8048	Undefined_Bond_Stereo_Count	0
108424	Hydrogen_Bond_Donor_Count	1
28280	Undefined_Bond_Stereo_Count	0
398678	Isotope_Atom_Count	0
13046622	Hydrogen_Bond_Acceptor_Count	1
91585	XLogP3-AA	0.2
440577	TPSA	240
86790	Defined_Atom_Stereo_Count	0
80283	Mono_Isotopic_Weight	103.063328530
8158	Isotope_Atom_Count	0
8051	Covalent_Unit_Count	1
76216	Undefined_Atom_Stereo_Count	0
5284614	Tautomer_Count	1
71452498	Molecular_Weight	535.5
135705228	Defined_Atom_Stereo_Count	0
23305129	Rotatable_Bond_Count	13
79834	Defined_Atom_Stereo_Count	0
853863	Defined_Atom_Stereo_Count	0
17945002	Hydrogen_Bond_Acceptor_Count	1
4369579	Defined_Atom_Stereo_Count	1
3082042	Mono_Isotopic_Weight	930.50757173
12024	XLogP3	2.3
163190000	Non-hydrogen_Atom_Count	50
11970143	Mono_Isotopic_Weight	4897.1470041
87184	Defined_Bond_Stereo_Count	0
11354606	Covalent_Unit_Count	1
565684	Non-hydrogen_Atom_Count	14
643918	Defined_Bond_Stereo_Count	1
68713	Exact_Mass	255.137162174
9574343	Covalent_Unit_Count	1
164633	Rotatable_Bond_Count	2
4244	Rotatable_Bond_Count	9
10486	Total_Formal_Charge	0
12623599	Rotatable_Bond_Count	1
224004	Defined_Atom_Stereo_Count	8
4047	Total_Formal_Charge	0
6098	Covalent_Unit_Count	1
403802	XLogP3-AA	3.9
18781684	Covalent_Unit_Count	1
97736001	Undefined_Atom_Stereo_Count	0
41264	Defined_Atom_Stereo_Count	0
2757950	Isotope_Atom_Count	0
91469448	Rotatable_Bond_Count	0
5148195	TPSA	29.5
9584	Tautomer_Count	1
58902739	Defined_Bond_Stereo_Count	0
49869312	TPSA	63.6
129980649	Hydrogen_Bond_Donor_Count	1
425440	Non-hydrogen_Atom_Count	7
67771108	Defined_Atom_Stereo_Count	0
69591	Molecular_Weight	144.17
70696332	Undefined_Bond_Stereo_Count	0
15550385	Exact_Mass	276.14739250
70480850	Structure_Complexity	68.9
719704	Undefined_Atom_Stereo_Count	0
54383554	TPSA	0
267769	Hydrogen_Bond_Acceptor_Count	3
3413278	Structure_Complexity	601
23670770	Tautomer_Count	2
86761	Hydrogen_Bond_Donor_Count	1
91339524	Mono_Isotopic_Weight	96.068748264
162883448	Undefined_Bond_Stereo_Count	0
128563	TPSA	109
131999	Exact_Mass	326.96354
5208	Exact_Mass	288.09977361
6279	Undefined_Atom_Stereo_Count	0
22269415	Rotatable_Bond_Count	0
11263686	Defined_Atom_Stereo_Count	0
131634423	Molecular_Weight	395.3
9546757	Undefined_Atom_Stereo_Count	0
14172370	Covalent_Unit_Count	1
121290492	Covalent_Unit_Count	1
20979505	Non-hydrogen_Atom_Count	8
1482928	Total_Formal_Charge	0
5507	Covalent_Unit_Count	1
6453608	Tautomer_Count	1
4351	Structure_Complexity	152
129858308	XLogP3-AA	0.9
6433345	Covalent_Unit_Count	1
45381907	Exact_Mass	377.11577528
10630	Hydrogen_Bond_Acceptor_Count	3
134688474	Isotope_Atom_Count	0
73653998	Hydrogen_Bond_Donor_Count	2
60698	TPSA	62.5
32065	Defined_Atom_Stereo_Count	0
10532	Hydrogen_Bond_Acceptor_Count	4
68741938	Rotatable_Bond_Count	5
9989237	Undefined_Bond_Stereo_Count	0
5281404	Isotope_Atom_Count	0
86233	Total_Formal_Charge	0
5459861	Structure_Complexity	176
6872	XLogP3	3.3
8901	XLogP3-AA	1.2
57515976	Rotatable_Bond_Count	1
10111431	Hydrogen_Bond_Donor_Count	1
4796	Covalent_Unit_Count	1
72276	Covalent_Unit_Count	1
93961272	TPSA	57.2
137090	Defined_Bond_Stereo_Count	0
121942	Molecular_Weight	356.32
570	Undefined_Bond_Stereo_Count	2
40234	XLogP3	7.2
635	Mono_Isotopic_Weight	214.02423968
78373	Tautomer_Count	1
6420149	Hydrogen_Bond_Acceptor_Count	4
7094	Exact_Mass	166.172150702
656673	Covalent_Unit_Count	1
107243	Non-hydrogen_Atom_Count	8
91129494	XLogP3-AA	1.1
131704	Mono_Isotopic_Weight	414.13146766
123133975	Defined_Atom_Stereo_Count	11
102429819	Defined_Bond_Stereo_Count	0
76216	Defined_Atom_Stereo_Count	0
83909	XLogP3	3
89602862	Undefined_Bond_Stereo_Count	0
148680795	Undefined_Bond_Stereo_Count	0
12358970	Undefined_Atom_Stereo_Count	0
1517	Non-hydrogen_Atom_Count	38
5951	Covalent_Unit_Count	1
31170	Rotatable_Bond_Count	0
10639	Rotatable_Bond_Count	1
1550489	Rotatable_Bond_Count	0
4507	Hydrogen_Bond_Donor_Count	1
135407408	Defined_Bond_Stereo_Count	0
106	Exact_Mass	185.00892397
4412	Hydrogen_Bond_Acceptor_Count	21
27489	Defined_Atom_Stereo_Count	0
25013898	Undefined_Atom_Stereo_Count	3
9322	Exact_Mass	57.97514518
2734678	Isotope_Atom_Count	0
53903157	Isotope_Atom_Count	0
6440900	TPSA	66.8
441856	Tautomer_Count	1
29805	Total_Formal_Charge	0
70683090	Hydrogen_Bond_Donor_Count	0
13507	Defined_Atom_Stereo_Count	0
2764068	Rotatable_Bond_Count	4
5889665	Isotope_Atom_Count	0
15983810	Defined_Atom_Stereo_Count	0
9888618	Undefined_Atom_Stereo_Count	0
9294	Structure_Complexity	121
67279	Defined_Atom_Stereo_Count	0
34134	Defined_Bond_Stereo_Count	0
62705687	Mono_Isotopic_Weight	458.13142291
179512	Undefined_Bond_Stereo_Count	0
23677927	Tautomer_Count	1
136873	Isotope_Atom_Count	0
19778718	Non-hydrogen_Atom_Count	8
1549000	Mono_Isotopic_Weight	388.1553704
7204	Undefined_Atom_Stereo_Count	0
441364	Covalent_Unit_Count	2
6681	Undefined_Atom_Stereo_Count	0
15411	Non-hydrogen_Atom_Count	8
25151352	Defined_Bond_Stereo_Count	0
144381	Isotope_Atom_Count	0
59174488	Hydrogen_Bond_Donor_Count	3
23519621	Undefined_Bond_Stereo_Count	0
62828	Isotope_Atom_Count	0
71818	Total_Formal_Charge	0
134460917	Molecular_Weight	504.6
14842942	Defined_Bond_Stereo_Count	0
2453	Hydrogen_Bond_Acceptor_Count	2
725692	Undefined_Atom_Stereo_Count	0
126704391	Hydrogen_Bond_Donor_Count	5
85989631	Molecular_Weight	94.15
16036825	Undefined_Bond_Stereo_Count	0
143647928	Undefined_Atom_Stereo_Count	0
236115	Defined_Bond_Stereo_Count	0
7048523	Rotatable_Bond_Count	3
89602862	Mono_Isotopic_Weight	113.011292958
75690	Defined_Bond_Stereo_Count	0
103376402	Mono_Isotopic_Weight	115.063328530
57242	Exact_Mass	246.18444672
11415	Total_Formal_Charge	0
91507903	Hydrogen_Bond_Acceptor_Count	3
7118	Defined_Bond_Stereo_Count	0
61393223	XLogP3-AA	0.8
519247	Total_Formal_Charge	0
53807546	Isotope_Atom_Count	0
9274	Mono_Isotopic_Weight	185.99380893
6429113	TPSA	30.2
66586378	Hydrogen_Bond_Donor_Count	2
70608	Molecular_Weight	180.09
107640	Molecular_Weight	682.8
188267	Defined_Atom_Stereo_Count	0
54605802	Total_Formal_Charge	0
2209	Defined_Atom_Stereo_Count	0
6604796	Covalent_Unit_Count	1
54064807	Molecular_Weight	112.17
8009	XLogP3	0.4
5484735	Defined_Atom_Stereo_Count	2
184820	Covalent_Unit_Count	1
50	Exact_Mass	194.04265265
56658432	TPSA	89.4
964856	XLogP3-AA	4
134537	Mono_Isotopic_Weight	526.1441542
5284347	Covalent_Unit_Count	2
701	Total_Formal_Charge	0
6877	Defined_Atom_Stereo_Count	0
70695759	Defined_Atom_Stereo_Count	0
16412	Non-hydrogen_Atom_Count	15
52948643	Hydrogen_Bond_Acceptor_Count	5
5281116	Isotope_Atom_Count	0
84197	Isotope_Atom_Count	0
5284472	Molecular_Weight	332.9
13568	Defined_Bond_Stereo_Count	0
4025	TPSA	64.1
777	Covalent_Unit_Count	1
59296114	Defined_Atom_Stereo_Count	1
595230	Mono_Isotopic_Weight	161.047678466
23730803	Hydrogen_Bond_Donor_Count	2
923329	Mono_Isotopic_Weight	289.14264148
44144456	Molecular_Weight	56.35
99451	Exact_Mass	203.91958482
8364	Covalent_Unit_Count	1
22175537	Defined_Bond_Stereo_Count	0
89144	Structure_Complexity	216
25008120	Covalent_Unit_Count	3
18922	Rotatable_Bond_Count	0
71112644	Molecular_Weight	407.3
73166591	Structure_Complexity	64.6
7200	Isotope_Atom_Count	0
9808654	Exact_Mass	592.3059301
5284604	Undefined_Atom_Stereo_Count	0
20587930	Exact_Mass	100.052429494
2735049	Mono_Isotopic_Weight	306.03038692
1207	Total_Formal_Charge	0
119607	Undefined_Bond_Stereo_Count	0
151994	Hydrogen_Bond_Donor_Count	0
13248583	Non-hydrogen_Atom_Count	8
53801928	TPSA	55.8
22934413	Covalent_Unit_Count	1
74600475	Molecular_Weight	428.5
545809	Hydrogen_Bond_Donor_Count	1
8501	Undefined_Atom_Stereo_Count	0
123809	Defined_Bond_Stereo_Count	0
3254	Isotope_Atom_Count	0
390658	Undefined_Bond_Stereo_Count	0
11697676	Exact_Mass	430.23687621
124426477	TPSA	57.2
53674625	Mono_Isotopic_Weight	114.042927438
89127533	Molecular_Weight	115.13
66559017	Rotatable_Bond_Count	4
673534	Isotope_Atom_Count	0
54541930	Undefined_Bond_Stereo_Count	0
11274968	Undefined_Bond_Stereo_Count	0
34698	Total_Formal_Charge	0
64819	Defined_Bond_Stereo_Count	0
525128	Defined_Atom_Stereo_Count	0
453326	Exact_Mass	288.0777887
45410	Rotatable_Bond_Count	12
8271	Undefined_Bond_Stereo_Count	0
91742	Covalent_Unit_Count	1
56837137	Covalent_Unit_Count	2
12563179	Structure_Complexity	156
135423770	Total_Formal_Charge	0
81397	Hydrogen_Bond_Donor_Count	1
222536	TPSA	52.6
612130	Isotope_Atom_Count	0
320272	XLogP3-AA	1.6
6432640	Hydrogen_Bond_Donor_Count	1
19768867	Total_Formal_Charge	0
20483609	Rotatable_Bond_Count	1
21653	Tautomer_Count	10
37207	Tautomer_Count	1
173	Exact_Mass	187.12084340
25076512	Exact_Mass	1633.77700666
12671783	Total_Formal_Charge	0
19791624	XLogP3-AA	0.7
10176120	Defined_Bond_Stereo_Count	0
71586775	Molecular_Weight	360.31
21058	Total_Formal_Charge	0
2472	Molecular_Weight	373.4
13530219	Mono_Isotopic_Weight	110.073164938
4054	TPSA	26
126843096	Total_Formal_Charge	0
18004024	Covalent_Unit_Count	2
444104	Rotatable_Bond_Count	10
80396	Mono_Isotopic_Weight	244.10679099
3455	Exact_Mass	450.24826997
12755803	Rotatable_Bond_Count	3
22829	XLogP3-AA	3.3
48807	XLogP3	2.6
13008	Hydrogen_Bond_Acceptor_Count	2
3965	Defined_Atom_Stereo_Count	0
556209	Hydrogen_Bond_Donor_Count	1
16932	Hydrogen_Bond_Donor_Count	0
5377022	Rotatable_Bond_Count	3
33166	Total_Formal_Charge	0
54292	Total_Formal_Charge	0
80520	Defined_Atom_Stereo_Count	0
79358	Structure_Complexity	186
1712058	Hydrogen_Bond_Donor_Count	0
22049997	Mono_Isotopic_Weight	476.05471
151093	Defined_Bond_Stereo_Count	0
936	Exact_Mass	122.048012819
200103	Exact_Mass	498.992710
53796209	Defined_Bond_Stereo_Count	0
46173365	Structure_Complexity	1120
13831	Exact_Mass	202.185037859
6602308	Rotatable_Bond_Count	11
635911	Exact_Mass	590.31043507
68304	Mono_Isotopic_Weight	325.1808568
11018839	TPSA	35.5
7293	Isotope_Atom_Count	0
75747	Defined_Atom_Stereo_Count	0
5595	Mono_Isotopic_Weight	284.152477885
67548	Rotatable_Bond_Count	10
79704	Hydrogen_Bond_Acceptor_Count	5
129894295	Molecular_Weight	607.7
24439	Structure_Complexity	36.8
306211	Non-hydrogen_Atom_Count	20
18177	Defined_Bond_Stereo_Count	0
123	Hydrogen_Bond_Donor_Count	3
12276020	Structure_Complexity	40.8
88603	Rotatable_Bond_Count	7
12201381	Mono_Isotopic_Weight	99.043261792
107760	Non-hydrogen_Atom_Count	31
567743	Hydrogen_Bond_Acceptor_Count	3
230	Molecular_Weight	230.11
95496	Exact_Mass	195.02014356
64588	XLogP3-AA	1.9
25069561	Hydrogen_Bond_Acceptor_Count	9
17111	Mono_Isotopic_Weight	143.094628657
16161315	Hydrogen_Bond_Donor_Count	22
138404353	Covalent_Unit_Count	2
182951	Non-hydrogen_Atom_Count	26
166450050	Covalent_Unit_Count	1
11829369	Hydrogen_Bond_Donor_Count	0
9925873	TPSA	50.7
704316	Structure_Complexity	631
11225217	Molecular_Weight	472.0
9919265	Undefined_Atom_Stereo_Count	0
413544	XLogP3-AA	3.2
12814873	Hydrogen_Bond_Acceptor_Count	5
71091807	Total_Formal_Charge	0
91723653	Covalent_Unit_Count	1
12372	Total_Formal_Charge	0
14660056	Non-hydrogen_Atom_Count	7
250	Covalent_Unit_Count	1
2760056	Total_Formal_Charge	0
287983	Mono_Isotopic_Weight	85.089149355
23480	Defined_Atom_Stereo_Count	0
17995361	Hydrogen_Bond_Donor_Count	0
197861	Mono_Isotopic_Weight	195.162314293
13270940	Non-hydrogen_Atom_Count	7
221493	Rotatable_Bond_Count	4
6419965	Hydrogen_Bond_Donor_Count	4
6431	Defined_Atom_Stereo_Count	0
7067772	TPSA	152
71306478	TPSA	172
23672064	Undefined_Bond_Stereo_Count	0
535717	Hydrogen_Bond_Donor_Count	0
84179	Exact_Mass	163.099714038
71718495	Rotatable_Bond_Count	13
13140652	Isotope_Atom_Count	0
6657	Molecular_Weight	103.12
45485695	Mono_Isotopic_Weight	583.2901736
671	Undefined_Bond_Stereo_Count	0
12302681	Structure_Complexity	382
11604525	Undefined_Atom_Stereo_Count	0
87349895	Molecular_Weight	419.7
53639246	Hydrogen_Bond_Acceptor_Count	2
125183303	Structure_Complexity	1830
664136	Hydrogen_Bond_Acceptor_Count	5
18529	Total_Formal_Charge	0
42008	Defined_Bond_Stereo_Count	0
11310242	Covalent_Unit_Count	1
28102	Exact_Mass	341.1757714
91528	TPSA	80.9
45878	Covalent_Unit_Count	1
123645524	Mono_Isotopic_Weight	1201.84136802
20138	Defined_Atom_Stereo_Count	0
19935266	Undefined_Bond_Stereo_Count	0
9819610	Undefined_Atom_Stereo_Count	0
76771	Covalent_Unit_Count	3
8883	Hydrogen_Bond_Donor_Count	2
10197665	Defined_Atom_Stereo_Count	0
21210	Mono_Isotopic_Weight	132.115029749
5461982	Exact_Mass	200.9708
13062961	Isotope_Atom_Count	0
4284720	Non-hydrogen_Atom_Count	20
2622	Total_Formal_Charge	0
5382	Hydrogen_Bond_Acceptor_Count	4
3916	Undefined_Atom_Stereo_Count	1
118193	Total_Formal_Charge	0
17045	Defined_Atom_Stereo_Count	0
82718360	Non-hydrogen_Atom_Count	8
44358318	Molecular_Weight	450.4
445420	Non-hydrogen_Atom_Count	29
15277906	Hydrogen_Bond_Donor_Count	2
7309	Defined_Bond_Stereo_Count	0
12515628	Defined_Bond_Stereo_Count	0
44392087	Rotatable_Bond_Count	11
550925	Defined_Atom_Stereo_Count	0
14315	TPSA	0
136585	Defined_Bond_Stereo_Count	0
494085	Isotope_Atom_Count	0
75092	XLogP3	1.5
1024	TPSA	175
43331	Defined_Atom_Stereo_Count	0
11651921	TPSA	110
27422	Structure_Complexity	104
61908709	Non-hydrogen_Atom_Count	8
59015	Defined_Bond_Stereo_Count	0
21906940	Covalent_Unit_Count	1
4163	Defined_Bond_Stereo_Count	0
46738768	TPSA	35.5
12269	Molecular_Weight	238.45
66487	Tautomer_Count	30
22280261	Structure_Complexity	70.5
54078821	Molecular_Weight	212.24
14889074	Undefined_Bond_Stereo_Count	0
11548000	TPSA	24.9
5284614	Mono_Isotopic_Weight	311.1440774
46529	Defined_Bond_Stereo_Count	0
119097554	Hydrogen_Bond_Acceptor_Count	1
556684	Undefined_Atom_Stereo_Count	0
5327	Exact_Mass	278.08374688
11953960	Rotatable_Bond_Count	8
123649851	Mono_Isotopic_Weight	101.084063974
126704391	Molecular_Weight	180.16
49792792	Structure_Complexity	415
3085326	Undefined_Bond_Stereo_Count	0
22986609	Mono_Isotopic_Weight	113.047678466
13813927	Hydrogen_Bond_Acceptor_Count	2
6597	Exact_Mass	127.9431847
32350	Hydrogen_Bond_Acceptor_Count	12
8183	Undefined_Bond_Stereo_Count	0
118797621	Rotatable_Bond_Count	1
12673086	Isotope_Atom_Count	0
16221343	Total_Formal_Charge	0
3066538	Undefined_Bond_Stereo_Count	0
53785673	XLogP3-AA	0.5
274426	Total_Formal_Charge	0
428745	Rotatable_Bond_Count	0
6451148	Isotope_Atom_Count	0
104838	Isotope_Atom_Count	0
79103	TPSA	17.1
4577573	Defined_Atom_Stereo_Count	0
21911205	Defined_Atom_Stereo_Count	0
20497487	Hydrogen_Bond_Donor_Count	0
21321822	Defined_Atom_Stereo_Count	0
9828911	Total_Formal_Charge	0
14251	TPSA	0
56711	Hydrogen_Bond_Donor_Count	0
968625	Exact_Mass	330.10381361
69332685	Covalent_Unit_Count	1
11826859	Covalent_Unit_Count	1
754780	Defined_Atom_Stereo_Count	0
6992032	Undefined_Atom_Stereo_Count	0
57485872	Non-hydrogen_Atom_Count	8
9810929	Hydrogen_Bond_Acceptor_Count	9
6433415	Undefined_Bond_Stereo_Count	0
9989237	Undefined_Atom_Stereo_Count	0
398631	Undefined_Atom_Stereo_Count	0
9874874	TPSA	174
71315333	Undefined_Bond_Stereo_Count	0
50918929	Undefined_Bond_Stereo_Count	0
9624	Total_Formal_Charge	0
72732	Defined_Bond_Stereo_Count	0
12417	Isotope_Atom_Count	0
25077533	Hydrogen_Bond_Acceptor_Count	16
13129	Tautomer_Count	1
10117987	Mono_Isotopic_Weight	503.23933582
16957	Undefined_Bond_Stereo_Count	0
9942133	Covalent_Unit_Count	1
3246941	Structure_Complexity	354
14849271	Undefined_Bond_Stereo_Count	0
122356	Total_Formal_Charge	0
24825251	Structure_Complexity	674
7105	Total_Formal_Charge	0
32777	Non-hydrogen_Atom_Count	7
6558	Rotatable_Bond_Count	1
167195	Defined_Bond_Stereo_Count	0
16739648	Non-hydrogen_Atom_Count	24
4369188	Covalent_Unit_Count	1
96029	Molecular_Weight	175.14
8820	Total_Formal_Charge	0
13078198	Molecular_Weight	111.14
24769	Defined_Atom_Stereo_Count	0
5365055	Undefined_Bond_Stereo_Count	0
10246505	Defined_Atom_Stereo_Count	0
5376	Undefined_Bond_Stereo_Count	1
102601163	Structure_Complexity	541
86439	Defined_Bond_Stereo_Count	0
138539	Structure_Complexity	46.1
13586830	Covalent_Unit_Count	1
12302693	Defined_Bond_Stereo_Count	0
163962080	Rotatable_Bond_Count	1
51629	Mono_Isotopic_Weight	408.1716891
101094784	Hydrogen_Bond_Acceptor_Count	5
76013	Structure_Complexity	412
53693033	Hydrogen_Bond_Donor_Count	0
23665410	Defined_Bond_Stereo_Count	0
24901211	Mono_Isotopic_Weight	493.20352765
7067772	Rotatable_Bond_Count	2
43220	Structure_Complexity	1020
4197	TPSA	65.8
4685	Undefined_Atom_Stereo_Count	0
5208	Rotatable_Bond_Count	3
98808	Undefined_Atom_Stereo_Count	0
10239769	Isotope_Atom_Count	0
68156	Covalent_Unit_Count	1
31276	Isotope_Atom_Count	0
71342	Tautomer_Count	5
10898017	Mono_Isotopic_Weight	768.19831894
57760	Defined_Atom_Stereo_Count	0
29772	Rotatable_Bond_Count	10
519207	Exact_Mass	283.157228913
1112	Exact_Mass	102.031694049
3083702	Rotatable_Bond_Count	15
27430	Hydrogen_Bond_Donor_Count	0
92768	Defined_Atom_Stereo_Count	0
99963	Non-hydrogen_Atom_Count	7
89144	Exact_Mass	240.151415257
639102	Defined_Atom_Stereo_Count	0
5460135	Undefined_Bond_Stereo_Count	0
8859	Undefined_Atom_Stereo_Count	0
218024	Isotope_Atom_Count	0
78896	Covalent_Unit_Count	1
136506065	Defined_Bond_Stereo_Count	0
28761	XLogP3-AA	2.2
9828356	Undefined_Bond_Stereo_Count	0
3826	Hydrogen_Bond_Acceptor_Count	3
226831	Molecular_Weight	89.14
141282199	Covalent_Unit_Count	1
6433573	Covalent_Unit_Count	1
655797	XLogP3-AA	1.8
191841	Hydrogen_Bond_Donor_Count	3
117072357	TPSA	231
18997160	Exact_Mass	115.063328530
12702817	Mono_Isotopic_Weight	109.01393355
56617809	Non-hydrogen_Atom_Count	7
1488444	Structure_Complexity	519
347477	Non-hydrogen_Atom_Count	8
11971580	Covalent_Unit_Count	1
68778068	Defined_Atom_Stereo_Count	0
1779	TPSA	66.4
42608371	Molecular_Weight	287.44
372	Non-hydrogen_Atom_Count	13
20488507	Defined_Bond_Stereo_Count	0
84975	Tautomer_Count	1
9547700	Hydrogen_Bond_Acceptor_Count	1
12171	Tautomer_Count	1
6957965	TPSA	85.6
12232	Isotope_Atom_Count	0
76700	Defined_Bond_Stereo_Count	0
10251906	Covalent_Unit_Count	1
7618	Tautomer_Count	1
90315	Exact_Mass	384.18965124
36245	TPSA	35.2
517957	Undefined_Bond_Stereo_Count	0
115739	Undefined_Atom_Stereo_Count	1
3000	XLogP3	2.3
123519634	TPSA	0
13032471	Isotope_Atom_Count	0
2778763	Defined_Bond_Stereo_Count	0
4889	Defined_Atom_Stereo_Count	0
141103237	Non-hydrogen_Atom_Count	8
146027509	Hydrogen_Bond_Donor_Count	11
2372	Covalent_Unit_Count	1
61908225	Defined_Atom_Stereo_Count	0
561861	Molecular_Weight	194.23
636857	TPSA	121
522065	Undefined_Atom_Stereo_Count	2
22859	Exact_Mass	474.01915776
45	Hydrogen_Bond_Donor_Count	3
6604189	TPSA	59.1
129148	Rotatable_Bond_Count	23
69601	Exact_Mass	116.062600255
117867	Isotope_Atom_Count	0
694041	Total_Formal_Charge	0
156212	Exact_Mass	310.930761
650960	Exact_Mass	458.24302422
117217480	Mono_Isotopic_Weight	114.042927438
10942371	Hydrogen_Bond_Acceptor_Count	2
600269	Hydrogen_Bond_Acceptor_Count	2
16759177	Non-hydrogen_Atom_Count	26
11669987	Total_Formal_Charge	0
13460453	Hydrogen_Bond_Donor_Count	1
25192275	Molecular_Weight	447.5
53628842	Exact_Mass	169.0658271
44395044	Total_Formal_Charge	0
6433091	TPSA	23.5
13460228	Isotope_Atom_Count	0
4752	Non-hydrogen_Atom_Count	55
442348	Structure_Complexity	323
68739327	Isotope_Atom_Count	0
15945857	Exact_Mass	387.16952493
59983745	Hydrogen_Bond_Acceptor_Count	1
31057	Defined_Atom_Stereo_Count	0
8114	Defined_Atom_Stereo_Count	0
12247338	Isotope_Atom_Count	0
53436961	Structure_Complexity	103
74615	Non-hydrogen_Atom_Count	7
10407447	Isotope_Atom_Count	0
129747104	Molecular_Weight	115.13
6432517	Isotope_Atom_Count	0
165075	Undefined_Bond_Stereo_Count	0
637991	Undefined_Bond_Stereo_Count	0
3032396	XLogP3-AA	1.3
62737	Undefined_Bond_Stereo_Count	0
70265	Hydrogen_Bond_Donor_Count	2
12674802	Exact_Mass	304.78323
136515	Defined_Bond_Stereo_Count	0
7331	Total_Formal_Charge	0
73553918	XLogP3-AA	2.4
611446	Hydrogen_Bond_Acceptor_Count	0
10258195	Non-hydrogen_Atom_Count	43
14	Rotatable_Bond_Count	13
3034351	Undefined_Bond_Stereo_Count	0
16752772	Tautomer_Count	1
5289501	Defined_Atom_Stereo_Count	0
24699	Defined_Atom_Stereo_Count	0
31191	Molecular_Weight	129.16
4337	Rotatable_Bond_Count	14
21983433	Covalent_Unit_Count	3
3531736	TPSA	69.9
8512	Molecular_Weight	224.21
12285879	TPSA	110
6710664	Structure_Complexity	540
57526	Defined_Bond_Stereo_Count	0
21894384	Total_Formal_Charge	0
5327150	Structure_Complexity	578
94543	Covalent_Unit_Count	1
131737226	Hydrogen_Bond_Acceptor_Count	6
132399083	Defined_Bond_Stereo_Count	0
54036153	Mono_Isotopic_Weight	111.068413911
161764	Molecular_Weight	628.1
157736	Defined_Bond_Stereo_Count	0
25052652	Defined_Atom_Stereo_Count	1
10464328	Total_Formal_Charge	0
398687	Undefined_Bond_Stereo_Count	0
5020	Undefined_Bond_Stereo_Count	0
23675349	Rotatable_Bond_Count	4
12711601	XLogP3-AA	1.4
80486638	Isotope_Atom_Count	0
135411	Mono_Isotopic_Weight	398.18819469
78362	Mono_Isotopic_Weight	158.011627311
44563146	Mono_Isotopic_Weight	372.15101554
20624744	Non-hydrogen_Atom_Count	7
6440511	Molecular_Weight	449.6
9430	Mono_Isotopic_Weight	226.146998583
11431912	Hydrogen_Bond_Donor_Count	2
66509091	Hydrogen_Bond_Donor_Count	5
86356	TPSA	35
71335	Hydrogen_Bond_Acceptor_Count	7
56949747	Exact_Mass	417.20524173
6409841	Isotope_Atom_Count	0
94377	Structure_Complexity	190
60196437	Exact_Mass	376.13469677
108032	Isotope_Atom_Count	0
67112011	Defined_Atom_Stereo_Count	0
6318	Exact_Mass	155.9978071
22715990	Defined_Bond_Stereo_Count	0
75675	Rotatable_Bond_Count	7
11672905	Undefined_Bond_Stereo_Count	0
161810	Total_Formal_Charge	0
19859	Tautomer_Count	3
321710	Total_Formal_Charge	0
76217	Mono_Isotopic_Weight	82.041864811
10796718	Exact_Mass	112.052429494
71580	Mono_Isotopic_Weight	247.0975211
78138	Total_Formal_Charge	0
64832	Total_Formal_Charge	0
762556	Undefined_Atom_Stereo_Count	0
19065710	TPSA	57.5
122360911	Structure_Complexity	151
44235958	Molecular_Weight	793.4
12068	TPSA	118
24014	Isotope_Atom_Count	0
594832	Defined_Bond_Stereo_Count	0
8252	Tautomer_Count	1
13126	Non-hydrogen_Atom_Count	30
83803459	XLogP3-AA	0
54234844	Total_Formal_Charge	0
10217	Structure_Complexity	538
12100	Hydrogen_Bond_Acceptor_Count	0
118210492	Defined_Atom_Stereo_Count	0
60196408	Defined_Atom_Stereo_Count	1
5852	Structure_Complexity	124
14626857	Defined_Bond_Stereo_Count	0
637892	Defined_Atom_Stereo_Count	0
101643209	Defined_Bond_Stereo_Count	0
20055509	Undefined_Bond_Stereo_Count	0
45120310	Total_Formal_Charge	0
20253	Undefined_Atom_Stereo_Count	1
11115995	Hydrogen_Bond_Donor_Count	0
91435	Covalent_Unit_Count	1
285666	Molecular_Weight	452.6
85760873	TPSA	0
3862645	Rotatable_Bond_Count	6
9800068	Covalent_Unit_Count	2
3333	Covalent_Unit_Count	1
60056	Rotatable_Bond_Count	7
3083445	Undefined_Bond_Stereo_Count	0
499988	Hydrogen_Bond_Donor_Count	2
53432920	Hydrogen_Bond_Acceptor_Count	0
5281052	Defined_Bond_Stereo_Count	1
479503	TPSA	94.8
202792	TPSA	57.1
91980486	Defined_Bond_Stereo_Count	0
441033	Covalent_Unit_Count	1
25548	Hydrogen_Bond_Acceptor_Count	14
118578546	Total_Formal_Charge	0
68103	XLogP3-AA	1.9
408714	Structure_Complexity	352
418247	Total_Formal_Charge	0
492405	Total_Formal_Charge	0
22052726	Exact_Mass	114.068079557
59421472	Molecular_Weight	121.10
148539	Undefined_Bond_Stereo_Count	0
41867	Hydrogen_Bond_Acceptor_Count	12
76040	Hydrogen_Bond_Acceptor_Count	12
4834	Non-hydrogen_Atom_Count	36
18343309	Exact_Mass	154.98366143
54605501	Isotope_Atom_Count	0
129672477	Exact_Mass	518.945874
3080904	Isotope_Atom_Count	0
71386	Isotope_Atom_Count	0
12246933	Rotatable_Bond_Count	2
11717001	Molecular_Weight	334.4
3047822	Total_Formal_Charge	0
44348	Rotatable_Bond_Count	1
11593706	Undefined_Bond_Stereo_Count	0
44310707	XLogP3-AA	0.2
143847825	Exact_Mass	112.027277375
8186	Isotope_Atom_Count	0
146157727	Total_Formal_Charge	0
13973648	Non-hydrogen_Atom_Count	10
114823056	Rotatable_Bond_Count	0
16665	Mono_Isotopic_Weight	128.156500638
529315	TPSA	9.2
155713	Non-hydrogen_Atom_Count	16
12407	Rotatable_Bond_Count	23
29778	Undefined_Bond_Stereo_Count	0
36324	Exact_Mass	293.189197746
123249	Hydrogen_Bond_Donor_Count	0
17541	TPSA	29.5
86620451	Isotope_Atom_Count	0
859122	Covalent_Unit_Count	1
16070111	Exact_Mass	416.20597001
139449	Covalent_Unit_Count	1
60196372	Rotatable_Bond_Count	0
994360	Mono_Isotopic_Weight	410.13002836
60848	Total_Formal_Charge	0
139591683	XLogP3-AA	7.3
9926054	Tautomer_Count	5
398737	Rotatable_Bond_Count	8
91536	Covalent_Unit_Count	1
1050	Mono_Isotopic_Weight	167.058243149
22137188	Total_Formal_Charge	0
6794	Covalent_Unit_Count	3
9886249	Undefined_Bond_Stereo_Count	0
518455	Structure_Complexity	64.7
138125	Hydrogen_Bond_Donor_Count	0
76687	Rotatable_Bond_Count	5
65837	Covalent_Unit_Count	1
145068	Hydrogen_Bond_Donor_Count	0
76592	Undefined_Bond_Stereo_Count	0
214038	Rotatable_Bond_Count	12
13244862	Defined_Atom_Stereo_Count	0
4962721	Rotatable_Bond_Count	1
45479834	Non-hydrogen_Atom_Count	17
6710780	Undefined_Bond_Stereo_Count	0
3085267	Exact_Mass	274.06636548
95162203	Rotatable_Bond_Count	4
6099917	Covalent_Unit_Count	4
10994	Structure_Complexity	104
47419	Defined_Atom_Stereo_Count	2
84081255	Non-hydrogen_Atom_Count	8
184	Covalent_Unit_Count	1
9872438	Hydrogen_Bond_Acceptor_Count	9
3086652	Undefined_Atom_Stereo_Count	0
134931805	XLogP3-AA	0.8
13682918	Covalent_Unit_Count	1
15130858	Undefined_Bond_Stereo_Count	0
529272	Non-hydrogen_Atom_Count	8
7736	TPSA	29.3
139356	Isotope_Atom_Count	0
19743370	Molecular_Weight	116.16
133621	Structure_Complexity	275
174251	Rotatable_Bond_Count	19
137699058	Undefined_Bond_Stereo_Count	0
1973	Mono_Isotopic_Weight	462.08037
129722587	Undefined_Atom_Stereo_Count	0
20514195	Exact_Mass	103.063328530
9883915	Undefined_Atom_Stereo_Count	0
9957766	TPSA	105
57395974	Undefined_Bond_Stereo_Count	0
13203	Hydrogen_Bond_Donor_Count	0
24743471	Non-hydrogen_Atom_Count	28
6420039	Mono_Isotopic_Weight	315.1601214
22408669	Hydrogen_Bond_Donor_Count	2
6984	Hydrogen_Bond_Acceptor_Count	1
128229	TPSA	267
12200971	Total_Formal_Charge	0
87869	Exact_Mass	288.0444070
675	Hydrogen_Bond_Donor_Count	1
136893	TPSA	18.5
18632	TPSA	12.5
3552	Hydrogen_Bond_Acceptor_Count	5
21932259	Structure_Complexity	467
24502	Molecular_Weight	294.18
18635	Hydrogen_Bond_Donor_Count	0
14445624	Exact_Mass	113.058911855
4898	Total_Formal_Charge	0
3294	Hydrogen_Bond_Acceptor_Count	4
2791	Molecular_Weight	467.0
2641	Non-hydrogen_Atom_Count	45
22833389	Non-hydrogen_Atom_Count	30
24860538	Mono_Isotopic_Weight	361.875716
11084586	Rotatable_Bond_Count	6
46201499	Structure_Complexity	66.6
6433892	Covalent_Unit_Count	1
42710	Molecular_Weight	361.9
4136521	Structure_Complexity	986
637542	Undefined_Bond_Stereo_Count	0
448903	Defined_Bond_Stereo_Count	0
19836588	TPSA	9.2
9798547	TPSA	54.5
443183	Covalent_Unit_Count	1
21040078	Covalent_Unit_Count	1
93542	Rotatable_Bond_Count	5
11519741	Defined_Atom_Stereo_Count	1
12995	Undefined_Atom_Stereo_Count	0
6918639	Total_Formal_Charge	0
58265178	Covalent_Unit_Count	1
558102	Mono_Isotopic_Weight	181.885975
8265	Exact_Mass	369.810560
7303	XLogP3-AA	0.3
211468	Isotope_Atom_Count	0
79243	Total_Formal_Charge	0
33477	Structure_Complexity	774
181749	Structure_Complexity	52
602	Covalent_Unit_Count	1
137326482	Covalent_Unit_Count	1
28563239	Exact_Mass	99.068413911
71317118	Exact_Mass	275.13688739
188966	Total_Formal_Charge	0
71584162	Undefined_Atom_Stereo_Count	0
10163178	Structure_Complexity	702
9339	Defined_Bond_Stereo_Count	0
3184	TPSA	90.2
32247	Mono_Isotopic_Weight	337.16126892
60196271	Covalent_Unit_Count	5
94937	Exact_Mass	222.08045576
54581904	Hydrogen_Bond_Acceptor_Count	4
53316474	Undefined_Atom_Stereo_Count	0
66330	Covalent_Unit_Count	1
44395101	Covalent_Unit_Count	1
67510	Mono_Isotopic_Weight	82.078250319
132157	Defined_Atom_Stereo_Count	0
64627	Structure_Complexity	609
48918	Molecular_Weight	269.34
19761154	Total_Formal_Charge	0
1890	TPSA	46.5
12716156	Exact_Mass	104.062600255
135409471	Molecular_Weight	314.17
31923	Exact_Mass	341.283098129
20561716	Total_Formal_Charge	0
14786610	Non-hydrogen_Atom_Count	7
198212	Molecular_Weight	179.17
229075	Exact_Mass	110.059246208
443403	Structure_Complexity	467
15213038	Non-hydrogen_Atom_Count	6
441254	Structure_Complexity	141
15709803	Covalent_Unit_Count	1
28561	Covalent_Unit_Count	1
83812	Structure_Complexity	128
10230	Rotatable_Bond_Count	2
10114130	Molecular_Weight	439.8
6505803	XLogP3-AA	2.6
5384136	Covalent_Unit_Count	2
79089	Mono_Isotopic_Weight	112.03467143
6916258	Non-hydrogen_Atom_Count	24
75024	Mono_Isotopic_Weight	118.062994177
22141508	Undefined_Bond_Stereo_Count	0
551491	Molecular_Weight	99.09
11105655	Exact_Mass	159.9749636
77843966	Tautomer_Count	308
57016488	Rotatable_Bond_Count	2
2211	Molecular_Weight	262.4
20055342	Total_Formal_Charge	0
10108830	XLogP3-AA	1.7
395450	Hydrogen_Bond_Acceptor_Count	7
2724505	Covalent_Unit_Count	1
49869173	Covalent_Unit_Count	1
12268621	Defined_Bond_Stereo_Count	0
12309339	Hydrogen_Bond_Donor_Count	8
3103	Undefined_Bond_Stereo_Count	0
78916	Non-hydrogen_Atom_Count	30
62371	Mono_Isotopic_Weight	266.0429505
73185506	Undefined_Bond_Stereo_Count	1
47936	Tautomer_Count	2
17946	XLogP3	2.9
71624469	Rotatable_Bond_Count	1
8581	Tautomer_Count	414
5743186	Molecular_Weight	703.8
44577611	Defined_Atom_Stereo_Count	0
790	Covalent_Unit_Count	1
5282200	Hydrogen_Bond_Donor_Count	10
9828911	XLogP3-AA	2.8
2734941	Rotatable_Bond_Count	4
1547484	XLogP3	5.8
16211286	Hydrogen_Bond_Acceptor_Count	11
79059	Defined_Bond_Stereo_Count	0
119097769	Defined_Atom_Stereo_Count	0
136499	Tautomer_Count	1
7911	Covalent_Unit_Count	1
54136224	Non-hydrogen_Atom_Count	8
247	Non-hydrogen_Atom_Count	8
67317342	Molecular_Weight	100.16
18757800	Defined_Bond_Stereo_Count	0
10148993	Undefined_Bond_Stereo_Count	0
49864533	Rotatable_Bond_Count	6
8217	Undefined_Bond_Stereo_Count	0
70801	Molecular_Weight	173.21
16048613	Undefined_Bond_Stereo_Count	0
9517	Isotope_Atom_Count	0
60698	Undefined_Bond_Stereo_Count	0
73759809	XLogP3-AA	5.9
22753628	Structure_Complexity	106
90420227	Molecular_Weight	114.15
6917733	Tautomer_Count	1
3944	Mono_Isotopic_Weight	528.21078060
6439447	Mono_Isotopic_Weight	640.20885023
5311110	Covalent_Unit_Count	1
2574	Hydrogen_Bond_Acceptor_Count	3
69137	Isotope_Atom_Count	0
82718176	Mono_Isotopic_Weight	116.083729621
23662139	Exact_Mass	138.02928836
16008685	Covalent_Unit_Count	1
23102733	Defined_Bond_Stereo_Count	0
83891	Undefined_Bond_Stereo_Count	0
12140167	Undefined_Bond_Stereo_Count	0
4048	Rotatable_Bond_Count	3
12695795	Defined_Bond_Stereo_Count	0
126455659	Hydrogen_Bond_Donor_Count	1
71584162	Defined_Atom_Stereo_Count	0
12654270	Defined_Bond_Stereo_Count	0
13549438	Undefined_Bond_Stereo_Count	0
3219590	Hydrogen_Bond_Acceptor_Count	5
59772010	Undefined_Atom_Stereo_Count	0
121540648	Undefined_Atom_Stereo_Count	0
11886769	Structure_Complexity	382
6387	XLogP3-AA	1.5
6003	Hydrogen_Bond_Donor_Count	0
67108485	Defined_Bond_Stereo_Count	0
5362894	Structure_Complexity	95.4
16844	Non-hydrogen_Atom_Count	9
250629	Undefined_Atom_Stereo_Count	0
99894	Molecular_Weight	103.12
9871419	XLogP3-AA	2
11374	Mono_Isotopic_Weight	145.052763847
6440	Defined_Atom_Stereo_Count	0
68505	Structure_Complexity	28
68868	TPSA	80.7
59761113	Non-hydrogen_Atom_Count	7
659840	Tautomer_Count	3
79123	XLogP3-AA	1.8
520554	Tautomer_Count	1
55285230	Non-hydrogen_Atom_Count	8
76079	Structure_Complexity	128
62943	Exact_Mass	187.0763918
70141017	Hydrogen_Bond_Acceptor_Count	1
61361	XLogP3	2.8
71312086	Structure_Complexity	432
6433547	Non-hydrogen_Atom_Count	12
656902	Exact_Mass	317.05692299
11240440	Isotope_Atom_Count	0
5283324	Mono_Isotopic_Weight	126.104465066
10462961	Exact_Mass	783.40948040
73303	Tautomer_Count	2
11229	Total_Formal_Charge	0
45140016	Defined_Bond_Stereo_Count	1
15642161	Covalent_Unit_Count	1
10415	TPSA	12
445501	Defined_Atom_Stereo_Count	1
54071	Structure_Complexity	197
233613	Hydrogen_Bond_Donor_Count	1
23170707	Isotope_Atom_Count	0
11438771	Rotatable_Bond_Count	3
24901416	XLogP3-AA	3.4
7846	Total_Formal_Charge	0
3206	Undefined_Bond_Stereo_Count	0
45269673	Hydrogen_Bond_Donor_Count	1
16218979	Undefined_Bond_Stereo_Count	0
10772937	Tautomer_Count	1
53678703	Isotope_Atom_Count	0
71027	TPSA	17.1
148089453	TPSA	26.3
136898365	Total_Formal_Charge	0
11284169	Exact_Mass	543.26545920
69204	Undefined_Atom_Stereo_Count	0
406167	Covalent_Unit_Count	1
5003	Defined_Atom_Stereo_Count	0
13180929	Exact_Mass	108.068748264
135419182	Non-hydrogen_Atom_Count	33
10351670	Undefined_Bond_Stereo_Count	0
12642471	Defined_Atom_Stereo_Count	0
520540	Undefined_Bond_Stereo_Count	0
3085218	Total_Formal_Charge	0
24856	Molecular_Weight	258.21
24848177	Defined_Bond_Stereo_Count	1
25244520	Defined_Bond_Stereo_Count	0
24917007	Mono_Isotopic_Weight	220.15488318
5283344	Isotope_Atom_Count	0
11784975	Tautomer_Count	2
14219	Non-hydrogen_Atom_Count	10
30137	Covalent_Unit_Count	1
6433266	Hydrogen_Bond_Donor_Count	3
25142177	Defined_Bond_Stereo_Count	0
7525	Tautomer_Count	1
269842	Exact_Mass	281.11240398
13739752	Covalent_Unit_Count	1
10252	TPSA	66.4
107250	Defined_Bond_Stereo_Count	0
70634430	Hydrogen_Bond_Acceptor_Count	2
66354	Molecular_Weight	83.09
2628	Defined_Bond_Stereo_Count	0
20728717	Covalent_Unit_Count	1
5281077	Hydrogen_Bond_Donor_Count	1
31193	Molecular_Weight	112.41
17963208	XLogP3-AA	4.8
132992789	Structure_Complexity	102
479930	Non-hydrogen_Atom_Count	31
76673	Defined_Bond_Stereo_Count	0
12511868	Isotope_Atom_Count	0
70969	Defined_Bond_Stereo_Count	0
11400707	Undefined_Bond_Stereo_Count	0
3035406	Covalent_Unit_Count	1
2131	Exact_Mass	536.2684820
3038	TPSA	137
65341	Hydrogen_Bond_Donor_Count	1
40772	Defined_Atom_Stereo_Count	0
79813	Covalent_Unit_Count	1
77541	Defined_Bond_Stereo_Count	0
35056	Structure_Complexity	154
6918331	Hydrogen_Bond_Donor_Count	2
7370	Mono_Isotopic_Weight	157.01974964
12598088	Hydrogen_Bond_Acceptor_Count	1
701542	TPSA	37.4
65957	Defined_Bond_Stereo_Count	0
16211884	Mono_Isotopic_Weight	182.06663009
4473	Exact_Mass	480.21346069
25201948	Structure_Complexity	539
1549133	XLogP3-AA	4.4
10061	Molecular_Weight	386.5
631271	Structure_Complexity	426
53906657	Undefined_Bond_Stereo_Count	1
96302	Hydrogen_Bond_Donor_Count	0
638066	Undefined_Atom_Stereo_Count	0
6093	Structure_Complexity	268
164886662	Rotatable_Bond_Count	4
156619111	Total_Formal_Charge	0
4441	TPSA	225
715568	Total_Formal_Charge	0
6058	Rotatable_Bond_Count	1
16837	Isotope_Atom_Count	0
6507	Molecular_Weight	360.4
93114	Hydrogen_Bond_Donor_Count	2
36690486	Total_Formal_Charge	0
225612	TPSA	98
44258	Non-hydrogen_Atom_Count	26
544629	Isotope_Atom_Count	0
283992	Mono_Isotopic_Weight	118.062994177
14040	Total_Formal_Charge	0
106	Hydrogen_Bond_Acceptor_Count	7
1780	TPSA	37.3
88580088	Hydrogen_Bond_Donor_Count	0
59901542	Exact_Mass	19.0458011230
573592	Non-hydrogen_Atom_Count	8
4662	Undefined_Atom_Stereo_Count	8
92158	Tautomer_Count	2
929	Total_Formal_Charge	1
13590	Non-hydrogen_Atom_Count	7
3388301	Mono_Isotopic_Weight	218.9615744
53749742	Defined_Atom_Stereo_Count	0
7238	Hydrogen_Bond_Acceptor_Count	0
443013	XLogP3	2
53595	Hydrogen_Bond_Acceptor_Count	13
3148	Isotope_Atom_Count	0
91414	Hydrogen_Bond_Acceptor_Count	0
31344	XLogP3-AA	0
68476	Tautomer_Count	3
71573986	Structure_Complexity	873
20797	XLogP3-AA	3.9
535031	Hydrogen_Bond_Donor_Count	0
9849425	Hydrogen_Bond_Donor_Count	6
69340339	Undefined_Bond_Stereo_Count	0
9815299	Structure_Complexity	154
926	Non-hydrogen_Atom_Count	44
75834	Structure_Complexity	228
45116684	Hydrogen_Bond_Acceptor_Count	3
516902	Covalent_Unit_Count	2
659009	Mono_Isotopic_Weight	313.14264148
102515088	Hydrogen_Bond_Acceptor_Count	6
54708862	Isotope_Atom_Count	0
2723949	TPSA	58.1
13506	Exact_Mass	603.92689092
52914324	Isotope_Atom_Count	0
157727	Covalent_Unit_Count	1
756229	TPSA	49.4
2761	Covalent_Unit_Count	1
63786	Isotope_Atom_Count	0
102248370	Undefined_Bond_Stereo_Count	0
16135415	Hydrogen_Bond_Acceptor_Count	46
13008	Undefined_Atom_Stereo_Count	0
247573	Defined_Atom_Stereo_Count	3
19998	Structure_Complexity	225
75828	Hydrogen_Bond_Donor_Count	0
5288365	Covalent_Unit_Count	1
70233	Rotatable_Bond_Count	4
22036716	Covalent_Unit_Count	1
365	Undefined_Bond_Stereo_Count	2
130589021	Rotatable_Bond_Count	2
4583497	Hydrogen_Bond_Donor_Count	2
25381	Total_Formal_Charge	0
80230	Hydrogen_Bond_Acceptor_Count	3
3034424	Undefined_Bond_Stereo_Count	0
44591583	Total_Formal_Charge	0
674976	Isotope_Atom_Count	0
17118	Molecular_Weight	251.71
21031	Hydrogen_Bond_Donor_Count	0
75018	Undefined_Bond_Stereo_Count	0
88210	Undefined_Atom_Stereo_Count	0
44258737	Defined_Bond_Stereo_Count	0
9609	Hydrogen_Bond_Acceptor_Count	1
83619503	Undefined_Bond_Stereo_Count	0
24181099	Isotope_Atom_Count	0
15020	Non-hydrogen_Atom_Count	22
9817381	Isotope_Atom_Count	0
20980871	Defined_Bond_Stereo_Count	0
105427064	Defined_Bond_Stereo_Count	0
71893	Mono_Isotopic_Weight	139.063328530
82145	Hydrogen_Bond_Acceptor_Count	2
443878	TPSA	139
548671	Hydrogen_Bond_Acceptor_Count	1
13472	Defined_Atom_Stereo_Count	5
12399560	Mono_Isotopic_Weight	511.18959167
14535399	Exact_Mass	106.9899821
69994	Total_Formal_Charge	0
9603	Isotope_Atom_Count	0
153196846	Molecular_Weight	97.16
29921593	Non-hydrogen_Atom_Count	23
235905	Tautomer_Count	1
21625894	Non-hydrogen_Atom_Count	59
7832	Hydrogen_Bond_Donor_Count	0
53485229	Exact_Mass	113.027691913
59648985	Rotatable_Bond_Count	0
148557	Non-hydrogen_Atom_Count	8
16134410	Covalent_Unit_Count	1
22491624	Total_Formal_Charge	0
14061673	Isotope_Atom_Count	0
174341	XLogP3	5.9
137642	XLogP3-AA	1
143047391	Undefined_Bond_Stereo_Count	0
9356	Isotope_Atom_Count	0
8720	Mono_Isotopic_Weight	176.92948127
67124	Non-hydrogen_Atom_Count	21
139121	Defined_Atom_Stereo_Count	0
55891	Defined_Bond_Stereo_Count	0
214339	Rotatable_Bond_Count	2
24181146	Non-hydrogen_Atom_Count	22
13611196	XLogP3-AA	2.1
667	Defined_Atom_Stereo_Count	0
17380	Defined_Atom_Stereo_Count	0
90041889	Non-hydrogen_Atom_Count	8
6925	Covalent_Unit_Count	1
7614	Tautomer_Count	2
71209	Defined_Bond_Stereo_Count	0
54980	Structure_Complexity	323
557356	TPSA	83.9
5280644	Undefined_Bond_Stereo_Count	0
22385738	Total_Formal_Charge	0
107926	Undefined_Bond_Stereo_Count	0
139149	Covalent_Unit_Count	1
21169	TPSA	55.4
122672078	XLogP3-AA	1.2
536124	Non-hydrogen_Atom_Count	8
3480138	Non-hydrogen_Atom_Count	36
12500500	Hydrogen_Bond_Donor_Count	0
123208701	Covalent_Unit_Count	1
6999977	XLogP3-AA	1.1
53767921	Defined_Bond_Stereo_Count	0
234839	Isotope_Atom_Count	0
3213	Isotope_Atom_Count	0
25023855	Isotope_Atom_Count	0
10387	Hydrogen_Bond_Acceptor_Count	2
71459165	Mono_Isotopic_Weight	292.16879665
132596289	Mono_Isotopic_Weight	192.162648646
9809002	Molecular_Weight	608.6
5288252	TPSA	111
54936	Mono_Isotopic_Weight	269.940598
8169	Defined_Bond_Stereo_Count	0
148676572	Isotope_Atom_Count	0
534258	XLogP3-AA	1.4
87187299	Defined_Bond_Stereo_Count	0
59503411	Exact_Mass	193.12745433
8165	Covalent_Unit_Count	1
5366546	Undefined_Bond_Stereo_Count	0
23665411	Tautomer_Count	15
11374	Non-hydrogen_Atom_Count	11
66828839	XLogP3-AA	4.6
135430795	Total_Formal_Charge	0
138148	Defined_Atom_Stereo_Count	0
10772946	Total_Formal_Charge	0
402827	TPSA	98.8
16047027	Molecular_Weight	697.9
64617	Non-hydrogen_Atom_Count	20
79345	Defined_Atom_Stereo_Count	0
4623	Total_Formal_Charge	0
84715968	Non-hydrogen_Atom_Count	7
34072	Mono_Isotopic_Weight	114.104465066
54255838	Molecular_Weight	116.11
4104621	Covalent_Unit_Count	1
10948203	Covalent_Unit_Count	1
935707	Structure_Complexity	443
156839069	Isotope_Atom_Count	0
136135	Hydrogen_Bond_Donor_Count	0
11029762	Covalent_Unit_Count	1
5281082	Structure_Complexity	659
44345198	Structure_Complexity	719
3335	Total_Formal_Charge	0
6871	Exact_Mass	216.09977361
107641	Non-hydrogen_Atom_Count	22
74183	Hydrogen_Bond_Acceptor_Count	2
12295391	Hydrogen_Bond_Acceptor_Count	4
2769656	Covalent_Unit_Count	1
5142	Tautomer_Count	1
16682804	Undefined_Atom_Stereo_Count	0
321937	Defined_Atom_Stereo_Count	0
11957609	Undefined_Bond_Stereo_Count	0
45609	Total_Formal_Charge	0
3267139	Covalent_Unit_Count	1
37864	Total_Formal_Charge	0
22206	Hydrogen_Bond_Donor_Count	2
140814	Undefined_Bond_Stereo_Count	0
9984487	Hydrogen_Bond_Acceptor_Count	8
639391	Defined_Bond_Stereo_Count	2
13130	Undefined_Bond_Stereo_Count	0
99646540	Exact_Mass	284.16237386
3953	Non-hydrogen_Atom_Count	21
23654	Covalent_Unit_Count	1
10455	Defined_Atom_Stereo_Count	0
3023	Undefined_Bond_Stereo_Count	0
13974331	Non-hydrogen_Atom_Count	8
440141	Isotope_Atom_Count	0
139056	Exact_Mass	108.093900383
639288	Defined_Bond_Stereo_Count	0
23713879	Undefined_Atom_Stereo_Count	0
59712821	Hydrogen_Bond_Donor_Count	0
83372	TPSA	45.8
3032307	Molecular_Weight	288.4
688563	Hydrogen_Bond_Acceptor_Count	4
20470942	Hydrogen_Bond_Acceptor_Count	2
44093	Defined_Bond_Stereo_Count	0
136703	Covalent_Unit_Count	1
176872	Mono_Isotopic_Weight	957.58135632
3280	Isotope_Atom_Count	0
73415798	Covalent_Unit_Count	3
10704	Hydrogen_Bond_Acceptor_Count	1
178795	Hydrogen_Bond_Acceptor_Count	6
123264207	Undefined_Bond_Stereo_Count	0
88922160	Covalent_Unit_Count	3
550815	Hydrogen_Bond_Donor_Count	2
123451	Defined_Bond_Stereo_Count	0
13813927	Undefined_Atom_Stereo_Count	0
6380	Covalent_Unit_Count	1
3439	Undefined_Atom_Stereo_Count	1
92100	Rotatable_Bond_Count	3
94357	Tautomer_Count	1
61996	Rotatable_Bond_Count	6
58962911	Exact_Mass	463.0636514
7487	Undefined_Bond_Stereo_Count	0
5223	Defined_Atom_Stereo_Count	0
118796404	TPSA	241
22157549	Mono_Isotopic_Weight	389.0711249
54391876	Covalent_Unit_Count	1
6918218	Exact_Mass	397.08313774
9962644	Defined_Atom_Stereo_Count	15
92251	Hydrogen_Bond_Acceptor_Count	2
8437	Total_Formal_Charge	0
58746	Undefined_Atom_Stereo_Count	1
33311	Mono_Isotopic_Weight	297.15512091
71833	Total_Formal_Charge	0
9218	Hydrogen_Bond_Acceptor_Count	3
6927356	Defined_Bond_Stereo_Count	0
4259	Undefined_Atom_Stereo_Count	2
5282768	Total_Formal_Charge	0
6158	Undefined_Bond_Stereo_Count	0
121392876	Covalent_Unit_Count	1
165600653	Total_Formal_Charge	0
71449750	Defined_Bond_Stereo_Count	0
100489	Covalent_Unit_Count	1
57395308	Hydrogen_Bond_Donor_Count	4
61523	Exact_Mass	164.120115130
12609719	Defined_Bond_Stereo_Count	0
156619387	Defined_Bond_Stereo_Count	3
63503	TPSA	48.4
25005580	Rotatable_Bond_Count	7
91563	Undefined_Bond_Stereo_Count	0
13597991	Hydrogen_Bond_Donor_Count	2
6734	TPSA	0
72734520	Non-hydrogen_Atom_Count	36
44327552	Structure_Complexity	234
16129632	Defined_Bond_Stereo_Count	0
168924	Isotope_Atom_Count	0
2243	Hydrogen_Bond_Acceptor_Count	15
7522	Hydrogen_Bond_Donor_Count	0
1999	Molecular_Weight	248.28
10176113	Defined_Bond_Stereo_Count	0
11565240	Structure_Complexity	457
24229456	Mono_Isotopic_Weight	108.032362755
15942713	Non-hydrogen_Atom_Count	33
7447	Molecular_Weight	168.15
134070	Structure_Complexity	688
5174	Structure_Complexity	259
8208	Tautomer_Count	1
126969108	Exact_Mass	868.56604061
4389	Exact_Mass	215.07937252
14484	Undefined_Bond_Stereo_Count	0
26098	Isotope_Atom_Count	0
9060	Isotope_Atom_Count	0
91420197	Undefined_Bond_Stereo_Count	0
76964745	Isotope_Atom_Count	0
7770	Defined_Atom_Stereo_Count	0
1706	Molecular_Weight	178.23
9892815	Undefined_Atom_Stereo_Count	0
13099193	Mono_Isotopic_Weight	113.084063974
82736	Mono_Isotopic_Weight	96.068748264
3489	Total_Formal_Charge	0
70680969	Defined_Bond_Stereo_Count	0
21987892	Rotatable_Bond_Count	7
4011971	Hydrogen_Bond_Donor_Count	1
5184	Undefined_Atom_Stereo_Count	5
59296081	Total_Formal_Charge	0
26369821	Covalent_Unit_Count	1
12771867	Total_Formal_Charge	0
4973027	Hydrogen_Bond_Acceptor_Count	2
49862688	Defined_Atom_Stereo_Count	0
6539029	Covalent_Unit_Count	1
58152970	Hydrogen_Bond_Donor_Count	0
18779923	XLogP3	0.3
11962616	Exact_Mass	460.21736377
151449	Rotatable_Bond_Count	0
447518	Exact_Mass	579.21343743
16441	Isotope_Atom_Count	0
21331	Undefined_Atom_Stereo_Count	0
16694	Hydrogen_Bond_Acceptor_Count	0
46919879	Molecular_Weight	490.5
524211	Structure_Complexity	149
102601177	Covalent_Unit_Count	1
849349	Defined_Atom_Stereo_Count	0
221523	Hydrogen_Bond_Acceptor_Count	1
36209	Rotatable_Bond_Count	9
79606	Covalent_Unit_Count	1
61040	Exact_Mass	182.130679813
449224	Mono_Isotopic_Weight	991.42555890
15211200	Undefined_Bond_Stereo_Count	0
17991084	Hydrogen_Bond_Donor_Count	1
529341	Non-hydrogen_Atom_Count	8
16698	Exact_Mass	298.97249195
10685477	Structure_Complexity	383
10333656	Undefined_Atom_Stereo_Count	0
74079	Mono_Isotopic_Weight	189.042593085
11297955	Rotatable_Bond_Count	1
6145931	Hydrogen_Bond_Acceptor_Count	5
67248272	TPSA	46.2
46244259	Hydrogen_Bond_Acceptor_Count	7
57395978	Defined_Bond_Stereo_Count	0
993	Hydrogen_Bond_Donor_Count	4
7115	Total_Formal_Charge	0
24180972	Molecular_Weight	505.3
18683475	Hydrogen_Bond_Donor_Count	1
26334	Isotope_Atom_Count	0
89399042	Covalent_Unit_Count	1
79608	Rotatable_Bond_Count	0
55288974	Structure_Complexity	155
21067	TPSA	44.4
87919798	XLogP3-AA	0.3
4317	TPSA	116
51763	Defined_Bond_Stereo_Count	0
11689	Mono_Isotopic_Weight	487.88950
17778385	TPSA	38.6
681950	Structure_Complexity	285
20265292	Mono_Isotopic_Weight	114.068079557
663	Undefined_Bond_Stereo_Count	0
86380	Non-hydrogen_Atom_Count	14
160666	Undefined_Atom_Stereo_Count	0
118984411	Exact_Mass	405.14323607
72032	Undefined_Bond_Stereo_Count	0
19406	Undefined_Bond_Stereo_Count	0
71541096	Isotope_Atom_Count	0
140655119	Hydrogen_Bond_Donor_Count	1
447994	TPSA	119
101191397	TPSA	26.3
165363121	Undefined_Bond_Stereo_Count	0
40973	Total_Formal_Charge	0
16131448	Mono_Isotopic_Weight	1807.98054885
23676735	TPSA	77.4
612684	Undefined_Atom_Stereo_Count	0
44570629	Hydrogen_Bond_Donor_Count	1
22395644	Covalent_Unit_Count	1
10176670	Rotatable_Bond_Count	1
7840	Covalent_Unit_Count	1
2567	Mono_Isotopic_Weight	339.007053
224392	Defined_Bond_Stereo_Count	0
2530251	Undefined_Atom_Stereo_Count	0
23555879	Undefined_Bond_Stereo_Count	0
52943334	XLogP3-AA	4.1
56842993	Total_Formal_Charge	0
182092	Structure_Complexity	136
600269	Undefined_Atom_Stereo_Count	0
101033892	Covalent_Unit_Count	1
13521834	Undefined_Bond_Stereo_Count	0
16351	Non-hydrogen_Atom_Count	23
638071	Hydrogen_Bond_Acceptor_Count	0
66435	Total_Formal_Charge	0
16659681	Total_Formal_Charge	0
85912645	TPSA	32.8
5282443	Structure_Complexity	336
3000226	Mono_Isotopic_Weight	516.34508925
1302	Mono_Isotopic_Weight	230.094294304
163050675	Defined_Atom_Stereo_Count	6
13355	Rotatable_Bond_Count	1
68511084	Mono_Isotopic_Weight	465.16542422
22772	Rotatable_Bond_Count	2
641001	Undefined_Bond_Stereo_Count	0
77222	Hydrogen_Bond_Donor_Count	1
23724510	Total_Formal_Charge	0
91468768	Non-hydrogen_Atom_Count	8
50988819	XLogP3-AA	4.5
11257	Non-hydrogen_Atom_Count	20
54160801	Hydrogen_Bond_Acceptor_Count	2
19176	Exact_Mass	205.019183
55290394	Covalent_Unit_Count	1
1745	Molecular_Weight	98.10
5297	Molecular_Weight	581.6
143888994	Non-hydrogen_Atom_Count	8
12701402	Undefined_Atom_Stereo_Count	2
93480	TPSA	9.2
18635	Exact_Mass	104.02958605
53833568	Non-hydrogen_Atom_Count	8
25006687	Molecular_Weight	393.5
136059	Defined_Atom_Stereo_Count	0
131954767	Total_Formal_Charge	1
149790	Hydrogen_Bond_Donor_Count	2
89261068	Structure_Complexity	109
119096545	Hydrogen_Bond_Acceptor_Count	2
91668	Hydrogen_Bond_Donor_Count	0
11167112	Rotatable_Bond_Count	7
5289613	Total_Formal_Charge	0
20314	Non-hydrogen_Atom_Count	8
14184	Molecular_Weight	345.9
144525	Exact_Mass	110.073164938
96670	Mono_Isotopic_Weight	294.125594432
28340	Exact_Mass	282.15795719
12313817	Hydrogen_Bond_Donor_Count	0
176170	Undefined_Atom_Stereo_Count	0
138109343	Undefined_Atom_Stereo_Count	2
123922025	Non-hydrogen_Atom_Count	8
145994868	Molecular_Weight	3283.6
691156	Defined_Atom_Stereo_Count	0
25353	Defined_Bond_Stereo_Count	0
22751786	Undefined_Atom_Stereo_Count	0
12420192	Hydrogen_Bond_Donor_Count	1
15825450	Molecular_Weight	98.14
5795731	Rotatable_Bond_Count	2
2734398	Undefined_Bond_Stereo_Count	0
9869929	Structure_Complexity	642
9886086	Covalent_Unit_Count	1
165664742	Non-hydrogen_Atom_Count	7
8635	Defined_Atom_Stereo_Count	0
517827	TPSA	17.1
56427	Defined_Atom_Stereo_Count	0
12124	Defined_Atom_Stereo_Count	0
71345	Structure_Complexity	446
129796181	Non-hydrogen_Atom_Count	7
88948	Hydrogen_Bond_Acceptor_Count	4
421	Rotatable_Bond_Count	7
3033985	Structure_Complexity	519
5484735	Non-hydrogen_Atom_Count	34
20041	Defined_Bond_Stereo_Count	0
13004	Defined_Atom_Stereo_Count	0
13871872	Undefined_Bond_Stereo_Count	0
118701038	Structure_Complexity	481
12529691	Undefined_Bond_Stereo_Count	0
12323351	Structure_Complexity	66.7
7656	Isotope_Atom_Count	0
4800713	Undefined_Atom_Stereo_Count	0
95456	Covalent_Unit_Count	1
20453897	Undefined_Bond_Stereo_Count	0
461279	Rotatable_Bond_Count	6
5288588	Hydrogen_Bond_Acceptor_Count	2
9549179	Undefined_Atom_Stereo_Count	1
23505018	Defined_Bond_Stereo_Count	0
14172370	Structure_Complexity	142
81226	Exact_Mass	119.02185764
6434144	Hydrogen_Bond_Acceptor_Count	8
104881	Total_Formal_Charge	0
64236	XLogP3-AA	1.8
11286453	Undefined_Atom_Stereo_Count	0
10540046	Molecular_Weight	271.34
7181	XLogP3	1
54556023	Hydrogen_Bond_Acceptor_Count	2
476	Defined_Atom_Stereo_Count	0
2265	Total_Formal_Charge	0
5237030	TPSA	80.3
656587	TPSA	59.1
135738851	Hydrogen_Bond_Donor_Count	7
79276	Total_Formal_Charge	0
83444	Exact_Mass	242.123925117
8210	Mono_Isotopic_Weight	218.18819469
22054617	Undefined_Bond_Stereo_Count	0
7762	Total_Formal_Charge	0
10061651	Non-hydrogen_Atom_Count	17
6745	Molecular_Weight	414.7
7461	Tautomer_Count	1
69275	Undefined_Bond_Stereo_Count	0
71066	Defined_Atom_Stereo_Count	0
5818	Hydrogen_Bond_Acceptor_Count	2
62545	Defined_Bond_Stereo_Count	0
45380936	Structure_Complexity	598
20793292	Rotatable_Bond_Count	0
66257	Structure_Complexity	910
13017	Non-hydrogen_Atom_Count	9
3681305	TPSA	83.4
11742188	Hydrogen_Bond_Acceptor_Count	5
45085047	Hydrogen_Bond_Acceptor_Count	3
41634	Mono_Isotopic_Weight	337.0239443
6434253	Rotatable_Bond_Count	6
147614	TPSA	32.7
20429663	Rotatable_Bond_Count	1
76959035	Hydrogen_Bond_Acceptor_Count	3
145971	Tautomer_Count	3
57238241	XLogP3-AA	2
535504	Non-hydrogen_Atom_Count	8
23551636	Total_Formal_Charge	0
680036	Undefined_Atom_Stereo_Count	0
5259916	Total_Formal_Charge	0
53475321	Hydrogen_Bond_Acceptor_Count	5
20146588	Defined_Atom_Stereo_Count	0
347475	Hydrogen_Bond_Acceptor_Count	1
16058752	Hydrogen_Bond_Acceptor_Count	9
120738	Exact_Mass	261.172878976
53484518	Covalent_Unit_Count	1
54058074	Undefined_Atom_Stereo_Count	0
26388	Exact_Mass	445.14938408
97065	TPSA	98.2
31315	Covalent_Unit_Count	1
68871182	TPSA	23.8
11804893	Hydrogen_Bond_Acceptor_Count	2
24680	Hydrogen_Bond_Acceptor_Count	1
2866	XLogP3	2.9
23664290	Undefined_Bond_Stereo_Count	0
133662561	Undefined_Bond_Stereo_Count	0
447518	Total_Formal_Charge	0
20936	Exact_Mass	204.10064299
20479971	Defined_Atom_Stereo_Count	0
16129701	Total_Formal_Charge	0
60196297	TPSA	86.8
12547675	Isotope_Atom_Count	0
91686	Total_Formal_Charge	0
436520	Tautomer_Count	1
71458868	XLogP3-AA	5.2
44119602	Undefined_Bond_Stereo_Count	0
137554722	Structure_Complexity	151
124085867	Non-hydrogen_Atom_Count	32
10715582	Total_Formal_Charge	0
649	Hydrogen_Bond_Donor_Count	2
66130	Defined_Bond_Stereo_Count	0
134715513	Exact_Mass	1000.38411307
11513929	Rotatable_Bond_Count	0
5278	Exact_Mass	390.00153
137994	Structure_Complexity	159
74825	TPSA	18.5
12268510	Undefined_Bond_Stereo_Count	0
1530	Undefined_Bond_Stereo_Count	0
51754	Undefined_Atom_Stereo_Count	1
19877808	Undefined_Bond_Stereo_Count	0
23479	TPSA	12
78904	Covalent_Unit_Count	1
196989	Undefined_Bond_Stereo_Count	0
7098641	TPSA	150
19375411	Hydrogen_Bond_Donor_Count	0
44560911	Isotope_Atom_Count	0
10740	Structure_Complexity	160
23585071	Covalent_Unit_Count	1
520682	Rotatable_Bond_Count	2
5906	Isotope_Atom_Count	0
185495	Hydrogen_Bond_Donor_Count	0
148211	Undefined_Bond_Stereo_Count	0
82452	Exact_Mass	152.083729621
414244	Molecular_Weight	117.15
8159	Exact_Mass	158.130679813
84072504	Covalent_Unit_Count	1
72200292	Isotope_Atom_Count	0
15178986	Total_Formal_Charge	0
54207973	Defined_Atom_Stereo_Count	0
44629484	Undefined_Atom_Stereo_Count	0
10772946	Hydrogen_Bond_Donor_Count	0
71693	Structure_Complexity	303
27304	Isotope_Atom_Count	0
71587	Undefined_Atom_Stereo_Count	0
135724	Defined_Bond_Stereo_Count	0
71517869	Non-hydrogen_Atom_Count	34
522996	Hydrogen_Bond_Acceptor_Count	0
53846425	Undefined_Bond_Stereo_Count	2
5748361	Molecular_Weight	366.4
6441082	Undefined_Atom_Stereo_Count	0
17690	Hydrogen_Bond_Acceptor_Count	0
10245972	Defined_Bond_Stereo_Count	4
19429	TPSA	0
20725980	Undefined_Bond_Stereo_Count	0
73361	Total_Formal_Charge	0
55089	Non-hydrogen_Atom_Count	21
121396	Exact_Mass	190.05897142
4822	Defined_Bond_Stereo_Count	0
5479141	Total_Formal_Charge	0
86322	Tautomer_Count	9
2734	Hydrogen_Bond_Donor_Count	2
522002	Undefined_Bond_Stereo_Count	0
91805	TPSA	40.9
2582	Defined_Bond_Stereo_Count	0
9549180	Defined_Atom_Stereo_Count	3
688510	Covalent_Unit_Count	1
38849	Structure_Complexity	636
4779	Mono_Isotopic_Weight	335.09225967
41693	Undefined_Atom_Stereo_Count	0
36671	Defined_Bond_Stereo_Count	0
14520	Covalent_Unit_Count	1
13772685	Non-hydrogen_Atom_Count	11
75087	Exact_Mass	328.15534438
53395259	Rotatable_Bond_Count	8
2958	Hydrogen_Bond_Donor_Count	5
68651	Non-hydrogen_Atom_Count	19
13594	Defined_Atom_Stereo_Count	0
5489029	Isotope_Atom_Count	0
12685	Exact_Mass	152.06023127
71743826	Rotatable_Bond_Count	1
54120934	Structure_Complexity	67.2
12443800	Hydrogen_Bond_Acceptor_Count	2
439867	Molecular_Weight	342.30
20232381	Undefined_Bond_Stereo_Count	0
7220	Defined_Bond_Stereo_Count	0
8342	Covalent_Unit_Count	1
7133	Undefined_Bond_Stereo_Count	0
4156734	Defined_Bond_Stereo_Count	0
57406911	Non-hydrogen_Atom_Count	32
72924	Exact_Mass	139.026943022
104967	Rotatable_Bond_Count	0
71624581	Molecular_Weight	403.9
3831985	Molecular_Weight	440.6
73376	Undefined_Bond_Stereo_Count	0
245	Rotatable_Bond_Count	5
122172945	TPSA	279
57023262	Undefined_Bond_Stereo_Count	1
638071	Molecular_Weight	82.14
129873282	Defined_Bond_Stereo_Count	0
7149	Non-hydrogen_Atom_Count	10
817	Total_Formal_Charge	0
4582877	Hydrogen_Bond_Donor_Count	0
19994812	Hydrogen_Bond_Acceptor_Count	3
71316127	Covalent_Unit_Count	1
7753	Hydrogen_Bond_Acceptor_Count	1
3092	Total_Formal_Charge	0
9803788	Undefined_Bond_Stereo_Count	0
3727	Hydrogen_Bond_Donor_Count	1
4420067	Non-hydrogen_Atom_Count	16
1117	Non-hydrogen_Atom_Count	5
10567	Defined_Atom_Stereo_Count	0
64648	Tautomer_Count	1
16216349	Defined_Bond_Stereo_Count	0
58077	Structure_Complexity	422
88800	Hydrogen_Bond_Acceptor_Count	3
6274	Total_Formal_Charge	0
16239	Defined_Atom_Stereo_Count	0
7228	Molecular_Weight	266.4
557772	TPSA	24.4
16217112	Hydrogen_Bond_Donor_Count	5
41839	Hydrogen_Bond_Acceptor_Count	3
445258	Covalent_Unit_Count	1
154416437	Hydrogen_Bond_Acceptor_Count	1
19437571	Mono_Isotopic_Weight	112.088815002
97740	Non-hydrogen_Atom_Count	16
521486	Covalent_Unit_Count	1
1877	Rotatable_Bond_Count	16
85299214	Covalent_Unit_Count	1
4282864	Non-hydrogen_Atom_Count	58
12285856	Undefined_Atom_Stereo_Count	1
45794	Covalent_Unit_Count	2
118701518	Isotope_Atom_Count	0
11115032	Exact_Mass	666.22185834
160723	Molecular_Weight	246.31
20097868	Structure_Complexity	98.2
23671932	Defined_Bond_Stereo_Count	0
52944532	Molecular_Weight	415.4
79474	Rotatable_Bond_Count	1
5324278	Mono_Isotopic_Weight	87.068413911
13153908	Isotope_Atom_Count	0
58604354	Undefined_Bond_Stereo_Count	0
449169	Rotatable_Bond_Count	11
92319	TPSA	23.8
123779218	Non-hydrogen_Atom_Count	8
17880	Isotope_Atom_Count	0
5318599	TPSA	20.2
9641	Structure_Complexity	200
461399	Rotatable_Bond_Count	3
135435111	Rotatable_Bond_Count	2
5090	Defined_Bond_Stereo_Count	0
3155	Hydrogen_Bond_Acceptor_Count	2
9589606	Molecular_Weight	518.4
66068	Defined_Atom_Stereo_Count	0
12213229	TPSA	75.3
11062335	Molecular_Weight	110.15
12371	Non-hydrogen_Atom_Count	8
64945	Non-hydrogen_Atom_Count	33
337310	XLogP3-AA	0.2
11181836	Hydrogen_Bond_Donor_Count	0
62978	TPSA	175
31953	Undefined_Bond_Stereo_Count	0
53435617	Undefined_Atom_Stereo_Count	0
16036578	Structure_Complexity	506
60966	Covalent_Unit_Count	2
46926350	Undefined_Atom_Stereo_Count	0
11171	TPSA	64.6
27304	TPSA	135
46934729	Total_Formal_Charge	0
2755709	Defined_Bond_Stereo_Count	0
447458	Rotatable_Bond_Count	9
141343693	Total_Formal_Charge	0
6367080	Total_Formal_Charge	1
387	Isotope_Atom_Count	0
19633	Tautomer_Count	3
5932	Undefined_Bond_Stereo_Count	0
5354789	Exact_Mass	205.085126602
151707353	Undefined_Atom_Stereo_Count	2
3331	Hydrogen_Bond_Acceptor_Count	4
512984	Exact_Mass	248.00780523
5773	Mono_Isotopic_Weight	415.06604838
24405	Mono_Isotopic_Weight	335.15935417
24849134	Defined_Bond_Stereo_Count	0
18745	Molecular_Weight	136.19
61012	Defined_Bond_Stereo_Count	0
48276	TPSA	30.7
85906	Total_Formal_Charge	0
11062335	Total_Formal_Charge	0
14325613	Defined_Bond_Stereo_Count	0
647120	Molecular_Weight	403.8
24848483	Molecular_Weight	497.9
78931	Hydrogen_Bond_Acceptor_Count	2
534451	TPSA	12.5
6335507	Rotatable_Bond_Count	10
53873414	Defined_Atom_Stereo_Count	0
88043	Exact_Mass	150.079312947
51017507	Defined_Bond_Stereo_Count	1
439518	Hydrogen_Bond_Acceptor_Count	9
4126474	Defined_Atom_Stereo_Count	0
105426929	TPSA	12
23557886	Covalent_Unit_Count	1
92307	Covalent_Unit_Count	2
26129	Undefined_Atom_Stereo_Count	0
11779772	Defined_Atom_Stereo_Count	0
22206	XLogP3	3.1
637520	Undefined_Bond_Stereo_Count	0
9153	Undefined_Bond_Stereo_Count	0
89283371	Undefined_Atom_Stereo_Count	0
9576891	Total_Formal_Charge	0
147226284	Undefined_Atom_Stereo_Count	2
18624857	Hydrogen_Bond_Acceptor_Count	2
12787246	Defined_Bond_Stereo_Count	0
44578617	Undefined_Atom_Stereo_Count	0
71587119	Rotatable_Bond_Count	12
63245	Undefined_Bond_Stereo_Count	0
54152337	Mono_Isotopic_Weight	358.1183161
6425135	Undefined_Atom_Stereo_Count	0
9898619	XLogP3-AA	0.6
37873	Hydrogen_Bond_Acceptor_Count	3
5364759	Tautomer_Count	1
9089	TPSA	18.5
30295	Structure_Complexity	219
164158597	Defined_Bond_Stereo_Count	0
6148	Mono_Isotopic_Weight	275.188529040
102601177	Undefined_Atom_Stereo_Count	1
20549002	Undefined_Bond_Stereo_Count	0
54236977	Total_Formal_Charge	0
17964403	Defined_Atom_Stereo_Count	0
35459	Molecular_Weight	162.18
51102	Defined_Atom_Stereo_Count	0
18459757	Defined_Atom_Stereo_Count	0
60196402	Hydrogen_Bond_Donor_Count	2
15778	Non-hydrogen_Atom_Count	8
53494972	Isotope_Atom_Count	0
72805	Exact_Mass	262.18925731
591313	XLogP3	5.1
160157	Non-hydrogen_Atom_Count	13
72200671	Defined_Atom_Stereo_Count	3
87481019	Total_Formal_Charge	0
19490	Undefined_Bond_Stereo_Count	0
8468	Total_Formal_Charge	0
138200	Structure_Complexity	101
131668624	XLogP3-AA	2.7
13349550	Total_Formal_Charge	0
4580	Structure_Complexity	608
79656	Defined_Bond_Stereo_Count	0
3918	XLogP3	3.1
68321895	Undefined_Bond_Stereo_Count	0
81850	Undefined_Atom_Stereo_Count	0
317852	Defined_Atom_Stereo_Count	0
15938963	Covalent_Unit_Count	1
4369491	Hydrogen_Bond_Acceptor_Count	3
36833	Rotatable_Bond_Count	14
657308	Rotatable_Bond_Count	6
968645	Non-hydrogen_Atom_Count	18
91285707	Hydrogen_Bond_Donor_Count	0
75634	Defined_Bond_Stereo_Count	0
63116	Mono_Isotopic_Weight	280.121177757
11002	TPSA	25.3
17754220	TPSA	132
584807	XLogP3-AA	3.5
5625	Defined_Bond_Stereo_Count	0
17920260	Molecular_Weight	112.17
517313	Total_Formal_Charge	0
71718495	Hydrogen_Bond_Donor_Count	2
71675	Mono_Isotopic_Weight	259.1127773
44321290	Exact_Mass	548.35151204
71426	Structure_Complexity	447
10154007	Structure_Complexity	64
55289397	Non-hydrogen_Atom_Count	7
115205	Covalent_Unit_Count	1
22660	Hydrogen_Bond_Donor_Count	1
7130	Hydrogen_Bond_Acceptor_Count	1
10575614	Molecular_Weight	452.5
22385728	Total_Formal_Charge	0
149784	Hydrogen_Bond_Donor_Count	2
6419984	Undefined_Atom_Stereo_Count	2
13813928	Total_Formal_Charge	0
3889	Structure_Complexity	958
60960	Non-hydrogen_Atom_Count	8
6535	Covalent_Unit_Count	1
19782023	XLogP3-AA	0.2
141738	Exact_Mass	96.093900383
7366	Defined_Atom_Stereo_Count	0
152109	Isotope_Atom_Count	0
123208701	Molecular_Weight	99.17
47316	Rotatable_Bond_Count	6
124037382	Covalent_Unit_Count	1
11597868	Undefined_Bond_Stereo_Count	0
15817734	TPSA	34.5
58087	Mono_Isotopic_Weight	388.0210617
5288223	Undefined_Bond_Stereo_Count	0
87985965	Non-hydrogen_Atom_Count	8
151404	Molecular_Weight	69.06
39953	Rotatable_Bond_Count	3
156693	Hydrogen_Bond_Donor_Count	2
129827453	Undefined_Bond_Stereo_Count	0
20504	Structure_Complexity	198
28064676	Non-hydrogen_Atom_Count	7
118216	Undefined_Atom_Stereo_Count	1
310360	Mono_Isotopic_Weight	309.05834059
12936730	Isotope_Atom_Count	0
74209	Defined_Bond_Stereo_Count	0
162349	Tautomer_Count	1
46783403	TPSA	198
4736	TPSA	23.5
90449	Covalent_Unit_Count	2
74067	Defined_Bond_Stereo_Count	0
5288845	Mono_Isotopic_Weight	118.099379685
676166	Defined_Bond_Stereo_Count	0
55288840	Structure_Complexity	161
11970252	Mono_Isotopic_Weight	342.11621151
23422066	TPSA	60.8
12735404	TPSA	49.3
3415	Hydrogen_Bond_Donor_Count	3
11178236	Defined_Atom_Stereo_Count	0
46236925	Defined_Bond_Stereo_Count	0
17195	Undefined_Atom_Stereo_Count	0
11527282	Exact_Mass	604.25981710
84979	Defined_Atom_Stereo_Count	0
9989264	Defined_Bond_Stereo_Count	0
205954	Non-hydrogen_Atom_Count	37
23262319	Exact_Mass	98.073164938
7102	Total_Formal_Charge	0
11953	Covalent_Unit_Count	1
3533	Undefined_Bond_Stereo_Count	0
7216	Defined_Atom_Stereo_Count	0
82140	Covalent_Unit_Count	1
60946	Covalent_Unit_Count	3
7474	Exact_Mass	156.9930561
11520	Non-hydrogen_Atom_Count	8
12529691	Undefined_Atom_Stereo_Count	0
9798	Rotatable_Bond_Count	0
20453897	Undefined_Atom_Stereo_Count	0
88631	TPSA	37.3
145640699	Total_Formal_Charge	0
68692	Defined_Bond_Stereo_Count	0
5312137	Hydrogen_Bond_Donor_Count	2
16683093	Mono_Isotopic_Weight	1055.93579
69818	Undefined_Atom_Stereo_Count	0
220	Total_Formal_Charge	0
135505	Undefined_Bond_Stereo_Count	0
105007	Defined_Bond_Stereo_Count	0
131632024	Rotatable_Bond_Count	0
5491612	Covalent_Unit_Count	1
135442	XLogP3-AA	2.3
23278030	Hydrogen_Bond_Donor_Count	1
444455	Undefined_Atom_Stereo_Count	0
67818	Structure_Complexity	448
18370	Rotatable_Bond_Count	1
10937607	Rotatable_Bond_Count	0
85518914	XLogP3-AA	0.1
5077	Rotatable_Bond_Count	5
86439	Exact_Mass	433.0539994
11569967	Total_Formal_Charge	0
28563239	Molecular_Weight	99.13
3011721	Hydrogen_Bond_Acceptor_Count	6
7762	Hydrogen_Bond_Donor_Count	0
1548941	TPSA	70.8
23555879	Defined_Atom_Stereo_Count	0
45085069	Hydrogen_Bond_Donor_Count	0
726	Hydrogen_Bond_Donor_Count	9
18338549	Hydrogen_Bond_Acceptor_Count	2
135430945	Covalent_Unit_Count	2
11957593	TPSA	28.7
5281718	Structure_Complexity	506
315341	Molecular_Weight	173.17
10219385	Exact_Mass	97.052763847
8026	Tautomer_Count	1
69561	Total_Formal_Charge	0
22784	Undefined_Atom_Stereo_Count	0
414243	Structure_Complexity	72.8
230351	Mono_Isotopic_Weight	132.078644241
6860	Hydrogen_Bond_Acceptor_Count	0
94424	Defined_Atom_Stereo_Count	0
5720	Exact_Mass	298.06636548
640753	Structure_Complexity	142
6917860	Exact_Mass	554.05420021
87140770	Total_Formal_Charge	0
445929	Total_Formal_Charge	0
71311162	Exact_Mass	484.072670
123920652	Exact_Mass	110.109550447
641001	Defined_Atom_Stereo_Count	0
5368451	TPSA	0
24848920	Defined_Bond_Stereo_Count	0
11116293	Undefined_Bond_Stereo_Count	0
59810317	Mono_Isotopic_Weight	97.052763847
119418	Mono_Isotopic_Weight	292.13107373
165986150	Exact_Mass	111.068413911
30429	Isotope_Atom_Count	0
69454537	Hydrogen_Bond_Donor_Count	1
8880	Defined_Bond_Stereo_Count	0
449459	Defined_Bond_Stereo_Count	1
66282	Rotatable_Bond_Count	2
3678	Structure_Complexity	214
17185	Molecular_Weight	162.70
135421783	Molecular_Weight	895.9
71718453	Exact_Mass	361.07661306
74506	Tautomer_Count	1
2898877	Rotatable_Bond_Count	4
5357258	Covalent_Unit_Count	1
91686	Hydrogen_Bond_Donor_Count	0
23616669	Rotatable_Bond_Count	16
86711	Non-hydrogen_Atom_Count	29
555	Exact_Mass	144.102453689
71464121	Mono_Isotopic_Weight	96.057514874
14295	Rotatable_Bond_Count	2
7306	Defined_Atom_Stereo_Count	0
44512434	Covalent_Unit_Count	1
12082850	Total_Formal_Charge	0
10129911	Rotatable_Bond_Count	3
11554216	Hydrogen_Bond_Acceptor_Count	5
2122	Covalent_Unit_Count	1
13238893	Defined_Atom_Stereo_Count	0
7979	Isotope_Atom_Count	0
29971	Rotatable_Bond_Count	2
84002	Tautomer_Count	2
68714	Defined_Bond_Stereo_Count	0
5603	Molecular_Weight	115.22
160528942	Covalent_Unit_Count	1
140719461	Covalent_Unit_Count	1
23294	Structure_Complexity	53.6
5353453	Undefined_Atom_Stereo_Count	0
59059978	Total_Formal_Charge	0
70278898	Total_Formal_Charge	0
13662	Exact_Mass	173.047678466
12566815	Non-hydrogen_Atom_Count	16
18377249	Defined_Atom_Stereo_Count	0
25244048	Exact_Mass	139.063328530
14365987	Mono_Isotopic_Weight	112.016043985
89374436	Rotatable_Bond_Count	0
9578243	Rotatable_Bond_Count	6
6433402	TPSA	34.1
21975	Hydrogen_Bond_Acceptor_Count	9
66545758	Hydrogen_Bond_Donor_Count	2
116814	Total_Formal_Charge	0
38439	Exact_Mass	355.854618
21972427	TPSA	60.1
26613	Tautomer_Count	1
15256279	Non-hydrogen_Atom_Count	7
129849349	Undefined_Atom_Stereo_Count	2
30493	Total_Formal_Charge	0
127909	Hydrogen_Bond_Acceptor_Count	4
6904	Structure_Complexity	147
11534864	Defined_Bond_Stereo_Count	1
12848394	Isotope_Atom_Count	0
55008	Rotatable_Bond_Count	26
21942072	Mono_Isotopic_Weight	98.084398327
5199	TPSA	348
72064	Total_Formal_Charge	0
54718618	Exact_Mass	460.07454252
734	Undefined_Bond_Stereo_Count	1
18342355	Total_Formal_Charge	0
74093	Undefined_Atom_Stereo_Count	0
94396	Undefined_Bond_Stereo_Count	1
131664126	Defined_Atom_Stereo_Count	0
53465	Hydrogen_Bond_Acceptor_Count	4
91537	Covalent_Unit_Count	1
22848362	Exact_Mass	361.0328700
22153558	Non-hydrogen_Atom_Count	6
85248	Defined_Atom_Stereo_Count	0
8550	Total_Formal_Charge	0
5248048	Covalent_Unit_Count	1
13396	Rotatable_Bond_Count	0
14392758	Undefined_Bond_Stereo_Count	0
89421960	Defined_Atom_Stereo_Count	0
68292207	Isotope_Atom_Count	0
9877343	Total_Formal_Charge	0
2762906	TPSA	33.1
4954	Hydrogen_Bond_Donor_Count	2
65708	Exact_Mass	190.074227566
222697	Structure_Complexity	77.7
5329106	Molecular_Weight	396.5
85328	Covalent_Unit_Count	1
9956189	TPSA	88.6
6209	Total_Formal_Charge	0
5360460	Covalent_Unit_Count	1
10337564	Molecular_Weight	344.4
459971	Mono_Isotopic_Weight	376.19106883
72493	Undefined_Atom_Stereo_Count	0
12560918	Rotatable_Bond_Count	0
10205	Total_Formal_Charge	0
129225	Mono_Isotopic_Weight	179.131014166
102004571	TPSA	118
305	Rotatable_Bond_Count	2
5057599	Defined_Bond_Stereo_Count	0
524667	Undefined_Atom_Stereo_Count	1
23703451	Isotope_Atom_Count	0
43366	Hydrogen_Bond_Acceptor_Count	2
25072736	Non-hydrogen_Atom_Count	30
63418	Molecular_Weight	345.8
14644797	Exact_Mass	115.063328530
12936855	Exact_Mass	114.104465066
84567	Structure_Complexity	245
1141	Total_Formal_Charge	0
107780	Undefined_Atom_Stereo_Count	0
91133104	Structure_Complexity	72.2
399235	Total_Formal_Charge	0
69827	Hydrogen_Bond_Donor_Count	0
137699054	Covalent_Unit_Count	1
98511	Rotatable_Bond_Count	2
2826713	Non-hydrogen_Atom_Count	60
11966	Rotatable_Bond_Count	4
130038395	Mono_Isotopic_Weight	124.02483259
589209	Covalent_Unit_Count	1
2954	TPSA	116
5282110	Undefined_Atom_Stereo_Count	0
44410953	Covalent_Unit_Count	1
667450	Total_Formal_Charge	0
12595141	Total_Formal_Charge	0
10975462	Mono_Isotopic_Weight	116.047344113
123070	Structure_Complexity	0
4118151	TPSA	59.2
188802	Hydrogen_Bond_Donor_Count	3
9528	Molecular_Weight	182.06
53232451	Undefined_Atom_Stereo_Count	0
372978	Undefined_Bond_Stereo_Count	0
54587655	Rotatable_Bond_Count	4
42623223	Undefined_Bond_Stereo_Count	0
46204396	Defined_Atom_Stereo_Count	0
12114682	Defined_Atom_Stereo_Count	2
20396384	Hydrogen_Bond_Donor_Count	1
54757474	Undefined_Bond_Stereo_Count	0
53846421	Molecular_Weight	416.6
289031	TPSA	104
307976	Non-hydrogen_Atom_Count	8
161105	Defined_Bond_Stereo_Count	0
22875828	Isotope_Atom_Count	0
446157	Molecular_Weight	481.5
4740700	Exact_Mass	149.060254526
304265	Exact_Mass	108.068748264
87251056	Defined_Atom_Stereo_Count	0
992406	Non-hydrogen_Atom_Count	24
67513	Tautomer_Count	1
439231	Mono_Isotopic_Weight	74.036779430
76969110	TPSA	355
4026	Defined_Atom_Stereo_Count	0
53326688	Molecular_Weight	463.0
41505	Isotope_Atom_Count	0
1956	Hydrogen_Bond_Donor_Count	5
69147	Total_Formal_Charge	0
444008	Undefined_Atom_Stereo_Count	0
5464317	Structure_Complexity	960
59894	Defined_Bond_Stereo_Count	0
3045381	Defined_Bond_Stereo_Count	0
522002	Defined_Atom_Stereo_Count	0
684	Covalent_Unit_Count	1
11409	Hydrogen_Bond_Donor_Count	0
465951	Exact_Mass	353.12094084
11483754	Defined_Atom_Stereo_Count	4
10040	Rotatable_Bond_Count	0
15981323	Undefined_Atom_Stereo_Count	0
58992	Tautomer_Count	3
563049	Total_Formal_Charge	0
21545139	Rotatable_Bond_Count	0
37464	Total_Formal_Charge	0
82418990	Mono_Isotopic_Weight	111.043261792
81920	Non-hydrogen_Atom_Count	13
11463807	Defined_Bond_Stereo_Count	0
14270	Undefined_Atom_Stereo_Count	0
5702698	Defined_Bond_Stereo_Count	3
16113753	Hydrogen_Bond_Acceptor_Count	5
4472	Covalent_Unit_Count	1
63985	Total_Formal_Charge	0
60196367	Molecular_Weight	453.5
964856	Mono_Isotopic_Weight	275.094628657
67849558	Isotope_Atom_Count	0
5311027	TPSA	89.8
65874	XLogP3-AA	2.6
197	Undefined_Atom_Stereo_Count	4
3775	Hydrogen_Bond_Acceptor_Count	1
135436520	TPSA	393
102233552	Undefined_Atom_Stereo_Count	0
11240435	Total_Formal_Charge	0
13487	Structure_Complexity	474
102239760	Hydrogen_Bond_Acceptor_Count	7
48870	Rotatable_Bond_Count	6
142647132	Defined_Bond_Stereo_Count	0
67382752	Total_Formal_Charge	0
2457	Undefined_Atom_Stereo_Count	0
3037233	Non-hydrogen_Atom_Count	32
65487	Defined_Atom_Stereo_Count	0
8020	Rotatable_Bond_Count	2
163276613	Rotatable_Bond_Count	1
330395	Mono_Isotopic_Weight	113.084063974
59867303	Non-hydrogen_Atom_Count	8
59324	Defined_Bond_Stereo_Count	0
67258704	TPSA	35.3
56643420	Structure_Complexity	457
13422580	Defined_Atom_Stereo_Count	18
14354	Mono_Isotopic_Weight	214.074227566
16066663	Covalent_Unit_Count	1
72187525	Undefined_Bond_Stereo_Count	0
20250	Non-hydrogen_Atom_Count	12
373077	Tautomer_Count	7
5263	Hydrogen_Bond_Donor_Count	2
3246390	TPSA	93.4
439051	Non-hydrogen_Atom_Count	18
1549004	Isotope_Atom_Count	0
10236037	TPSA	63.3
165286	Rotatable_Bond_Count	0
10244374	Isotope_Atom_Count	0
88273595	Molecular_Weight	116.12
59116084	Molecular_Weight	178.18
41331	Molecular_Weight	144.12
146156434	Molecular_Weight	602.9
24867454	TPSA	95.6
15529	Hydrogen_Bond_Donor_Count	1
520668	Undefined_Atom_Stereo_Count	0
3575	TPSA	26.3
74183	Defined_Atom_Stereo_Count	0
54245381	Mono_Isotopic_Weight	118.099379685
542337	Molecular_Weight	100.16
10406	Defined_Bond_Stereo_Count	0
701083	TPSA	95.6
87315833	Structure_Complexity	31
848667	Defined_Atom_Stereo_Count	0
20762359	XLogP3-AA	0.3
57288387	TPSA	110
153643637	Undefined_Atom_Stereo_Count	0
17356	Undefined_Atom_Stereo_Count	0
6199	XLogP3-AA	2.3
149836	Total_Formal_Charge	0
172309	Hydrogen_Bond_Donor_Count	0
44	Molecular_Weight	118.04
11574	TPSA	0
127000832	Total_Formal_Charge	0
10482544	XLogP3-AA	2.2
69810334	Exact_Mass	110.073164938
58364265	Covalent_Unit_Count	1
89145326	Undefined_Bond_Stereo_Count	0
4870	Defined_Atom_Stereo_Count	0
24973796	Molecular_Weight	99.13
13707481	Molecular_Weight	114.19
21935081	Undefined_Bond_Stereo_Count	0
21702776	Non-hydrogen_Atom_Count	8
137349890	Hydrogen_Bond_Acceptor_Count	4
164333	XLogP3-AA	1
54415369	Structure_Complexity	58.7
439255	Hydrogen_Bond_Acceptor_Count	5
12271346	Non-hydrogen_Atom_Count	8
136060671	Exact_Mass	181.121512110
45214	Undefined_Atom_Stereo_Count	0
7902	Hydrogen_Bond_Acceptor_Count	2
25113190	Undefined_Bond_Stereo_Count	0
70060	Hydrogen_Bond_Donor_Count	3
5389	Rotatable_Bond_Count	8
69332601	Undefined_Bond_Stereo_Count	0
8678	Non-hydrogen_Atom_Count	13
101059324	Defined_Atom_Stereo_Count	0
6918003	Mono_Isotopic_Weight	348.1716891
25512	Undefined_Bond_Stereo_Count	0
5281522	Tautomer_Count	1
19078026	Undefined_Bond_Stereo_Count	0
16639	Hydrogen_Bond_Acceptor_Count	2
54584098	Exact_Mass	334.02046
413494	Undefined_Bond_Stereo_Count	0
135887824	Covalent_Unit_Count	1
98471	Hydrogen_Bond_Acceptor_Count	2
96772	TPSA	163
15787851	Total_Formal_Charge	0
5354495	Rotatable_Bond_Count	0
4841	Hydrogen_Bond_Donor_Count	1
56637807	Rotatable_Bond_Count	0
19366304	Rotatable_Bond_Count	7
104975	Non-hydrogen_Atom_Count	15
18984686	Total_Formal_Charge	0
108037	Undefined_Bond_Stereo_Count	0
25780	Defined_Atom_Stereo_Count	0
99295	Covalent_Unit_Count	1
67710	Undefined_Bond_Stereo_Count	0
692726	Undefined_Bond_Stereo_Count	1
88154	Hydrogen_Bond_Donor_Count	3
91601	Rotatable_Bond_Count	12
54682938	Covalent_Unit_Count	1
2734162	Exact_Mass	139.123523487
63104	Undefined_Bond_Stereo_Count	0
542420	Tautomer_Count	1
5287969	Non-hydrogen_Atom_Count	28
76126	Hydrogen_Bond_Donor_Count	0
8223	Hydrogen_Bond_Donor_Count	3
5803	TPSA	66.8
23581946	Isotope_Atom_Count	0
6444834	Hydrogen_Bond_Acceptor_Count	6
35360	Non-hydrogen_Atom_Count	12
20490762	Mono_Isotopic_Weight	122.00376522
53555	Non-hydrogen_Atom_Count	21
441073	TPSA	45.6
557796	Rotatable_Bond_Count	0
8766	Total_Formal_Charge	0
69333884	XLogP3-AA	0.4
72093	Molecular_Weight	483.7
58985	Isotope_Atom_Count	0
74682	Defined_Bond_Stereo_Count	0
15415	Undefined_Atom_Stereo_Count	1
31312	Defined_Atom_Stereo_Count	7
809629	Rotatable_Bond_Count	3
3317081	Undefined_Bond_Stereo_Count	0
11569158	Hydrogen_Bond_Donor_Count	1
13235324	Structure_Complexity	179
135413497	Total_Formal_Charge	0
18413907	Mono_Isotopic_Weight	95.073499291
11128	Non-hydrogen_Atom_Count	17
78979	TPSA	0
11819055	Hydrogen_Bond_Donor_Count	0
46203391	Defined_Atom_Stereo_Count	0
21700	Hydrogen_Bond_Donor_Count	1
11379	Defined_Bond_Stereo_Count	0
179697	Undefined_Bond_Stereo_Count	0
51387014	Rotatable_Bond_Count	7
13795010	Rotatable_Bond_Count	1
135491728	Rotatable_Bond_Count	9
323188	Mono_Isotopic_Weight	100.063662883
539829	Exact_Mass	222.08920892
5142487	XLogP3-AA	0.6
54757474	Defined_Atom_Stereo_Count	0
9823775	Mono_Isotopic_Weight	426.17908655
637	Defined_Bond_Stereo_Count	0
56633764	Defined_Bond_Stereo_Count	0
10378	Hydrogen_Bond_Donor_Count	2
53993017	Defined_Bond_Stereo_Count	0
54682458	Undefined_Bond_Stereo_Count	0
7252	Rotatable_Bond_Count	0
11732	Total_Formal_Charge	0
95745	Hydrogen_Bond_Acceptor_Count	3
67367781	Molecular_Weight	442.5
7257	Defined_Atom_Stereo_Count	0
7078557	Exact_Mass	410.24570956
46203139	Isotope_Atom_Count	0
24646	Molecular_Weight	86.90
88951	Covalent_Unit_Count	1
83975	Undefined_Bond_Stereo_Count	0
70267665	Total_Formal_Charge	0
7042	Structure_Complexity	178
151205	Defined_Atom_Stereo_Count	1
16541	Hydrogen_Bond_Donor_Count	0
7138	Exact_Mass	157.089149355
11553183	Total_Formal_Charge	0
8336	XLogP3-AA	0
18506387	Defined_Bond_Stereo_Count	0
20387237	Hydrogen_Bond_Acceptor_Count	1
69663	TPSA	26
3938668	Rotatable_Bond_Count	15
517859	Molecular_Weight	110.15
5404	Exact_Mass	531.1803953
44135711	Isotope_Atom_Count	0
1271	TPSA	101
53323739	XLogP3-AA	2.4
123561422	Molecular_Weight	86.14
13625887	Hydrogen_Bond_Donor_Count	0
10032582	Non-hydrogen_Atom_Count	49
6604087	Hydrogen_Bond_Acceptor_Count	9
2562	Tautomer_Count	1
130128864	Hydrogen_Bond_Acceptor_Count	2
73946427	Isotope_Atom_Count	0
19077498	XLogP3-AA	4.5
6001	Non-hydrogen_Atom_Count	20
70688017	Defined_Atom_Stereo_Count	0
439196	Rotatable_Bond_Count	3
12984	Covalent_Unit_Count	1
410865	Structure_Complexity	370
17995818	Undefined_Atom_Stereo_Count	0
12512794	Non-hydrogen_Atom_Count	7
383414	Mono_Isotopic_Weight	1018.44048069
13586013	Molecular_Weight	103.12
141630	Isotope_Atom_Count	0
11640390	Exact_Mass	421.19026037
3035187	Hydrogen_Bond_Acceptor_Count	5
217409	Tautomer_Count	4
82935	Structure_Complexity	2.8
694728	Defined_Atom_Stereo_Count	0
11819042	Isotope_Atom_Count	0
76223940	Undefined_Bond_Stereo_Count	0
131664126	Covalent_Unit_Count	7
4528	XLogP3-AA	2.6
9898440	Covalent_Unit_Count	1
139064747	Non-hydrogen_Atom_Count	24
16726085	Non-hydrogen_Atom_Count	30
61474	Defined_Atom_Stereo_Count	0
101938021	Non-hydrogen_Atom_Count	18
50483	Covalent_Unit_Count	2
5282108	Structure_Complexity	282
16760394	Undefined_Bond_Stereo_Count	0
158698	Defined_Bond_Stereo_Count	0
4692287	Isotope_Atom_Count	0
70198	Hydrogen_Bond_Donor_Count	0
541087	XLogP3-AA	2.3
1368742	Non-hydrogen_Atom_Count	21
55285271	Covalent_Unit_Count	1
25716	Molecular_Weight	460.7
68365444	Rotatable_Bond_Count	0
137426	Undefined_Bond_Stereo_Count	0
52948200	Non-hydrogen_Atom_Count	29
22833502	Hydrogen_Bond_Acceptor_Count	2
259992	Defined_Bond_Stereo_Count	0
121207368	TPSA	29.1
94154	Defined_Atom_Stereo_Count	2
291	Molecular_Weight	489.33
8307	Exact_Mass	201.0920418
3690	Rotatable_Bond_Count	5
20974	Defined_Bond_Stereo_Count	0
60196431	Molecular_Weight	361.3
91151945	Exact_Mass	342.11621151
22676885	Total_Formal_Charge	0
23667631	Covalent_Unit_Count	2
12305	Non-hydrogen_Atom_Count	7
13528	Hydrogen_Bond_Acceptor_Count	1
97959	XLogP3-AA	2.2
16683008	Isotope_Atom_Count	0
150841	Rotatable_Bond_Count	2
61739	Molecular_Weight	51.45
53896476	Hydrogen_Bond_Donor_Count	0
69578	Undefined_Bond_Stereo_Count	0
36457	TPSA	182
9281	Exact_Mass	816.1726841
11208	Exact_Mass	72.057514874
19966769	Isotope_Atom_Count	0
136429571	Isotope_Atom_Count	0
79025	Molecular_Weight	180.16
52918127	Hydrogen_Bond_Donor_Count	1
19539	Total_Formal_Charge	0
139134	Mono_Isotopic_Weight	105.032697108
60155458	Isotope_Atom_Count	0
56670168	Rotatable_Bond_Count	5
24868287	Covalent_Unit_Count	6
31226	TPSA	26.3
10498206	Rotatable_Bond_Count	8
13	Mono_Isotopic_Weight	179.930033
47455	Hydrogen_Bond_Acceptor_Count	5
59295958	Isotope_Atom_Count	0
5282761	Defined_Bond_Stereo_Count	1
5359853	Covalent_Unit_Count	3
3260420	Rotatable_Bond_Count	0
10775	Total_Formal_Charge	0
70689446	Exact_Mass	396.19098865
94915	TPSA	60.9
159652940	XLogP3-AA	0.1
12960	XLogP3-AA	0
695314	Defined_Atom_Stereo_Count	1
15399127	TPSA	29.5
11804893	Undefined_Atom_Stereo_Count	0
2122	Undefined_Atom_Stereo_Count	1
165571	Undefined_Atom_Stereo_Count	0
9268	Exact_Mass	168.187800766
15383909	Hydrogen_Bond_Acceptor_Count	25
99486	Covalent_Unit_Count	1
11093	Defined_Bond_Stereo_Count	0
9422	Molecular_Weight	242.3
72941779	Defined_Atom_Stereo_Count	0
3874	TPSA	188
12533146	Non-hydrogen_Atom_Count	6
29696	Undefined_Atom_Stereo_Count	0
97535	Non-hydrogen_Atom_Count	32
12201380	Hydrogen_Bond_Donor_Count	0
90829381	Mono_Isotopic_Weight	665.30474055
89185	Covalent_Unit_Count	1
9877343	Hydrogen_Bond_Donor_Count	0
87642220	Defined_Atom_Stereo_Count	10
61633	Exact_Mass	126.068079557
25803	Hydrogen_Bond_Donor_Count	2
49864766	Undefined_Atom_Stereo_Count	0
197344	Molecular_Weight	352.79
8600	Exact_Mass	270.07395278
16049090	Isotope_Atom_Count	0
1530	TPSA	56.7
15034112	Isotope_Atom_Count	0
93171	Hydrogen_Bond_Acceptor_Count	0
6327350	Rotatable_Bond_Count	4
123662875	Undefined_Bond_Stereo_Count	0
36933	Isotope_Atom_Count	0
49248	Total_Formal_Charge	0
91994885	Total_Formal_Charge	0
101059324	XLogP3-AA	6.1
61055	Total_Formal_Charge	0
3853312	Undefined_Atom_Stereo_Count	0
143339316	Mono_Isotopic_Weight	108.093900383
89646	Exact_Mass	204.05349212
5056	XLogP3-AA	3.1
9926832	Molecular_Weight	313.4
9929799	Covalent_Unit_Count	2
86007746	Undefined_Bond_Stereo_Count	0
27058	Molecular_Weight	292.49
11676981	Molecular_Weight	461.4
21579142	Covalent_Unit_Count	1
16683012	Isotope_Atom_Count	0
44560807	Covalent_Unit_Count	1
123519634	Structure_Complexity	128
129095087	Non-hydrogen_Atom_Count	7
55434	Hydrogen_Bond_Acceptor_Count	4
59435876	Non-hydrogen_Atom_Count	10
95259	Undefined_Bond_Stereo_Count	0
54077	TPSA	83.2
53315818	Exact_Mass	243.08954328
16212610	Structure_Complexity	382
3003141	Defined_Atom_Stereo_Count	1
20256	Hydrogen_Bond_Donor_Count	2
73764	Defined_Bond_Stereo_Count	0
53851	Non-hydrogen_Atom_Count	23
72323	Structure_Complexity	461
25244048	Covalent_Unit_Count	1
12304109	Hydrogen_Bond_Acceptor_Count	2
9707	Defined_Bond_Stereo_Count	0
156693217	Undefined_Atom_Stereo_Count	1
11205720	Undefined_Atom_Stereo_Count	0
142044455	Covalent_Unit_Count	1
95883	Covalent_Unit_Count	1
10456134	Covalent_Unit_Count	1
15981292	Hydrogen_Bond_Donor_Count	2
517326	Undefined_Atom_Stereo_Count	0
1899	Structure_Complexity	396
16395904	Isotope_Atom_Count	0
15806	Molecular_Weight	225.24
3926	Mono_Isotopic_Weight	491.27481907
16004722	Isotope_Atom_Count	0
6604498	Undefined_Bond_Stereo_Count	0
6855	Isotope_Atom_Count	0
21583979	Rotatable_Bond_Count	0
2394	Molecular_Weight	1157.2
4068533	Exact_Mass	94.00307362
581206	Exact_Mass	170.130679813
123803633	Molecular_Weight	342.30
6785	Molecular_Weight	280.27
9548659	Undefined_Atom_Stereo_Count	0
7771	Tautomer_Count	3
2948	Undefined_Atom_Stereo_Count	0
18539784	Defined_Bond_Stereo_Count	0
14957	Non-hydrogen_Atom_Count	39
9929785	Undefined_Atom_Stereo_Count	0
10497540	Non-hydrogen_Atom_Count	25
10134976	Undefined_Bond_Stereo_Count	0
225	Defined_Atom_Stereo_Count	0
61278	Covalent_Unit_Count	1
58618968	Undefined_Bond_Stereo_Count	1
12570	Undefined_Atom_Stereo_Count	0
9901946	Covalent_Unit_Count	1
44457968	Defined_Bond_Stereo_Count	0
76335	Rotatable_Bond_Count	2
692159	Defined_Atom_Stereo_Count	0
3494	Hydrogen_Bond_Donor_Count	1
94706	Covalent_Unit_Count	1
578771	Defined_Atom_Stereo_Count	0
43366	Undefined_Bond_Stereo_Count	0
12074364	Defined_Atom_Stereo_Count	0
23072212	Covalent_Unit_Count	1
123257569	Non-hydrogen_Atom_Count	8
14956	Tautomer_Count	2
129840260	Mono_Isotopic_Weight	292.05964013
66425	Exact_Mass	286.193280068
134717663	Hydrogen_Bond_Acceptor_Count	16
12222	Mono_Isotopic_Weight	54.010564683
5328791	TPSA	81.3
716312	Total_Formal_Charge	0
3763454	Undefined_Atom_Stereo_Count	1
27882	Tautomer_Count	1
162918375	Defined_Bond_Stereo_Count	1
12625760	Mono_Isotopic_Weight	98.073164938
3032361	TPSA	64.4
656954	Exact_Mass	271.06447134
156963344	Hydrogen_Bond_Acceptor_Count	6
52942478	Covalent_Unit_Count	1
40146	Non-hydrogen_Atom_Count	18
274080	Hydrogen_Bond_Donor_Count	4
134693241	Mono_Isotopic_Weight	383.20563565
3467	Molecular_Weight	477.6
129826870	Mono_Isotopic_Weight	166.135765193
234818	Total_Formal_Charge	0
134694856	Total_Formal_Charge	0
69985	Hydrogen_Bond_Acceptor_Count	3
3853312	Defined_Atom_Stereo_Count	0
5442	Undefined_Bond_Stereo_Count	0
6992111	Hydrogen_Bond_Donor_Count	1
76973265	Undefined_Bond_Stereo_Count	0
638026	TPSA	29.5
140535901	Undefined_Bond_Stereo_Count	0
129730	Covalent_Unit_Count	1
16415729	Hydrogen_Bond_Donor_Count	3
28679	Hydrogen_Bond_Acceptor_Count	2
5388961	Total_Formal_Charge	0
77992	Non-hydrogen_Atom_Count	18
87391	Defined_Bond_Stereo_Count	0
123626159	Mono_Isotopic_Weight	100.100048391
2203	Undefined_Atom_Stereo_Count	3
89741632	Molecular_Weight	416.5
13682918	Structure_Complexity	95.7
162	Hydrogen_Bond_Acceptor_Count	5
126569786	Hydrogen_Bond_Donor_Count	5
7280	Hydrogen_Bond_Acceptor_Count	0
74888	Covalent_Unit_Count	1
71895	XLogP3-AA	3
7897	Defined_Atom_Stereo_Count	0
9851505	Structure_Complexity	141
93005	Tautomer_Count	2
67495	Exact_Mass	198.05032149
22120552	Defined_Atom_Stereo_Count	0
156022731	Non-hydrogen_Atom_Count	72
6435207	Exact_Mass	400.18858861
24883429	Defined_Bond_Stereo_Count	0
14305	TPSA	20.2
445723	Total_Formal_Charge	0
14369	Structure_Complexity	334
1235	Mono_Isotopic_Weight	257.177964357
883785	Defined_Bond_Stereo_Count	0
13055556	Isotope_Atom_Count	0
11149862	Defined_Atom_Stereo_Count	0
83814961	Mono_Isotopic_Weight	111.068413911
115367	Hydrogen_Bond_Donor_Count	1
25023858	Mono_Isotopic_Weight	468.25252628
91543	Mono_Isotopic_Weight	493.71285
25912	Undefined_Atom_Stereo_Count	0
6369389	Undefined_Atom_Stereo_Count	0
92174	Non-hydrogen_Atom_Count	7
71586635	Non-hydrogen_Atom_Count	30
313325	Hydrogen_Bond_Donor_Count	7
12543	Rotatable_Bond_Count	2
83467	Hydrogen_Bond_Donor_Count	2
85829	Defined_Bond_Stereo_Count	0
6918589	Exact_Mass	853.35208467
9548659	Defined_Atom_Stereo_Count	0
160817	Hydrogen_Bond_Donor_Count	1
21943991	XLogP3-AA	2.2
57286	Molecular_Weight	328.9
11423566	Defined_Bond_Stereo_Count	0
54046888	TPSA	31.2
6165447	Mono_Isotopic_Weight	226.03381930
91169414	Defined_Atom_Stereo_Count	0
13586	Rotatable_Bond_Count	1
13207	Undefined_Atom_Stereo_Count	0
125134	Hydrogen_Bond_Acceptor_Count	4
542317	Undefined_Atom_Stereo_Count	0
78538	Hydrogen_Bond_Acceptor_Count	4
20605239	Rotatable_Bond_Count	0
62097	Tautomer_Count	2
74106	XLogP3-AA	4.5
5218	Exact_Mass	436.28248899
68128	Defined_Bond_Stereo_Count	0
70235	Covalent_Unit_Count	1
133109022	Molecular_Weight	505.7
5068775	Mono_Isotopic_Weight	100.100048391
424353	Undefined_Atom_Stereo_Count	3
27689	Isotope_Atom_Count	0
61237	Total_Formal_Charge	0
42633	Exact_Mass	467.28830265
13362	Tautomer_Count	2
15617	XLogP3-AA	0.4
145359725	Mono_Isotopic_Weight	101.047678466
54321	XLogP3-AA	6.6
45874	Undefined_Atom_Stereo_Count	1
19604	Molecular_Weight	268.70
136585	Covalent_Unit_Count	1
86233	Non-hydrogen_Atom_Count	22
139742	Mono_Isotopic_Weight	108.068748264
31203	Structure_Complexity	291
11574	Total_Formal_Charge	0
119544	Hydrogen_Bond_Acceptor_Count	3
69690	Isotope_Atom_Count	0
12406682	Molecular_Weight	79.10
288	Rotatable_Bond_Count	3
24867465	Total_Formal_Charge	0
202877	Isotope_Atom_Count	0
222285	Total_Formal_Charge	0
5189	TPSA	112
71117	Hydrogen_Bond_Acceptor_Count	5
4369359	Exact_Mass	407.11807909
11521066	Hydrogen_Bond_Acceptor_Count	2
68022407	Hydrogen_Bond_Donor_Count	0
440667	Isotope_Atom_Count	0
81415695	Structure_Complexity	107
46936613	Covalent_Unit_Count	1
157610150	Undefined_Atom_Stereo_Count	2
737374	TPSA	70.1
179338	Mono_Isotopic_Weight	511.1584073
131668418	Exact_Mass	326.24570956
51577	Undefined_Bond_Stereo_Count	0
91333	TPSA	60.8
14116454	Molecular_Weight	98.10
13416	Structure_Complexity	126
5289531	Defined_Atom_Stereo_Count	1
2736567	Mono_Isotopic_Weight	113.047678466
3478696	XLogP3-AA	0
42754	Total_Formal_Charge	0
12000240	Rotatable_Bond_Count	11
15681692	Total_Formal_Charge	0
129738943	Mono_Isotopic_Weight	107.048347172
419293	Hydrogen_Bond_Acceptor_Count	2
625277	TPSA	35.5
11182575	Defined_Bond_Stereo_Count	0
21445949	Hydrogen_Bond_Acceptor_Count	2
56663313	Hydrogen_Bond_Acceptor_Count	8
1225	Covalent_Unit_Count	1
401234	Exact_Mass	192.06472551
10844367	Defined_Atom_Stereo_Count	0
16129878	Hydrogen_Bond_Acceptor_Count	46
544792	Non-hydrogen_Atom_Count	6
53395259	Tautomer_Count	14
83797	Exact_Mass	84.057514874
137942834	Defined_Atom_Stereo_Count	0
130993429	Covalent_Unit_Count	1
62204	XLogP3	2.4
58506875	Structure_Complexity	414
4206565	XLogP3	2.3
11222822	Rotatable_Bond_Count	4
2997	Molecular_Weight	270.71
165901	Structure_Complexity	317
66053	Covalent_Unit_Count	1
6443013	Defined_Bond_Stereo_Count	2
62479	Total_Formal_Charge	0
53465849	Molecular_Weight	401.5
5319880	Isotope_Atom_Count	0
100965141	Exact_Mass	342.11638967
20797	Covalent_Unit_Count	1
79043	Structure_Complexity	146
1487118	Undefined_Atom_Stereo_Count	0
14273	Non-hydrogen_Atom_Count	8
906815	Mono_Isotopic_Weight	345.11471265
69332601	Defined_Atom_Stereo_Count	0
2723706	XLogP3-AA	1.2
20157043	Rotatable_Bond_Count	0
10343454	Non-hydrogen_Atom_Count	30
73455777	Mono_Isotopic_Weight	112.088815002
25512	Defined_Atom_Stereo_Count	0
71305058	Undefined_Atom_Stereo_Count	0
49849621	Defined_Bond_Stereo_Count	1
53807546	TPSA	26
59296085	Non-hydrogen_Atom_Count	31
16212966	Mono_Isotopic_Weight	181.06674293
12313170	TPSA	158
78979	Total_Formal_Charge	0
15505	Defined_Atom_Stereo_Count	0
59270	Hydrogen_Bond_Donor_Count	1
40691	Tautomer_Count	1
23283001	Total_Formal_Charge	0
256019	Non-hydrogen_Atom_Count	14
213021	Structure_Complexity	280
10823	TPSA	12.9
566597	Rotatable_Bond_Count	0
5497174	Total_Formal_Charge	0
15037	Mono_Isotopic_Weight	147.068413911
120574	Undefined_Atom_Stereo_Count	0
4770	Isotope_Atom_Count	0
41095	XLogP3	3.3
96289	Structure_Complexity	133
17019	Non-hydrogen_Atom_Count	16
5363269	Defined_Atom_Stereo_Count	0
16051942	Covalent_Unit_Count	1
12679	Molecular_Weight	179.20
24812731	Exact_Mass	455.09679023
45085029	Defined_Atom_Stereo_Count	0
18730068	Hydrogen_Bond_Acceptor_Count	0
85531465	XLogP3-AA	0.1
409347	Non-hydrogen_Atom_Count	20
20653	Rotatable_Bond_Count	4
342681	Mono_Isotopic_Weight	392.19071386
22065792	Exact_Mass	71.0304345
55255930	Isotope_Atom_Count	0
5330472	Molecular_Weight	365.4
15016062	Defined_Bond_Stereo_Count	0
44126034	Total_Formal_Charge	0
15673	Defined_Atom_Stereo_Count	0
2468	Exact_Mass	157.13274550
107646	Exact_Mass	291.0192881
6957965	Non-hydrogen_Atom_Count	29
154461366	Exact_Mass	107.037113783
1930	Total_Formal_Charge	0
70034488	Defined_Bond_Stereo_Count	0
45255110	Structure_Complexity	652
45266598	Exact_Mass	833.12577494
71377	Isotope_Atom_Count	0
57398260	Exact_Mass	526.16617453
90495	Defined_Bond_Stereo_Count	0
36094	Covalent_Unit_Count	2
14231	TPSA	40.5
5288149	Undefined_Atom_Stereo_Count	0
129010089	Defined_Atom_Stereo_Count	15
54152337	Hydrogen_Bond_Donor_Count	4
137375527	TPSA	59.8
46073	XLogP3-AA	1
22833874	Undefined_Bond_Stereo_Count	0
24949247	Mono_Isotopic_Weight	384.06981
34409	Non-hydrogen_Atom_Count	26
14765771	Exact_Mass	108.032362755
65049734	TPSA	12.5
131536	Undefined_Atom_Stereo_Count	0
33503	XLogP3-AA	5.3
71300746	Defined_Bond_Stereo_Count	0
699683	Defined_Bond_Stereo_Count	0
7003	Covalent_Unit_Count	1
154809859	Mono_Isotopic_Weight	665.30474055
90973	Defined_Atom_Stereo_Count	0
130124973	Isotope_Atom_Count	0
54031007	Non-hydrogen_Atom_Count	7
18569	Non-hydrogen_Atom_Count	6
11179267	Hydrogen_Bond_Acceptor_Count	4
51026956	Non-hydrogen_Atom_Count	22
18368760	Exact_Mass	116.083729621
130054486	Defined_Bond_Stereo_Count	0
126968498	Undefined_Atom_Stereo_Count	0
11513929	TPSA	46.2
10628031	Molecular_Weight	650.7
159157	TPSA	89
88707373	Total_Formal_Charge	0
91662	Undefined_Atom_Stereo_Count	0
93771	Covalent_Unit_Count	1
5365585	Hydrogen_Bond_Acceptor_Count	0
98442	Hydrogen_Bond_Donor_Count	0
20387216	Non-hydrogen_Atom_Count	8
4323	Hydrogen_Bond_Donor_Count	4
136863	Non-hydrogen_Atom_Count	7
88318	Total_Formal_Charge	0
162404783	Total_Formal_Charge	0
14967651	TPSA	17.1
16758827	Hydrogen_Bond_Donor_Count	4
146158693	TPSA	58.9
10214380	Exact_Mass	109.052763847
25171662	Defined_Bond_Stereo_Count	0
21541699	Covalent_Unit_Count	1
66855878	Non-hydrogen_Atom_Count	8
8115	TPSA	9.2
11115032	Total_Formal_Charge	0
114416774	Mono_Isotopic_Weight	108.068748264
35726	Molecular_Weight	350.3
8840	Hydrogen_Bond_Acceptor_Count	3
12136798	Total_Formal_Charge	0
69215	Undefined_Bond_Stereo_Count	0
54338696	Undefined_Bond_Stereo_Count	1
20387231	Mono_Isotopic_Weight	99.104799419
7375	Isotope_Atom_Count	0
219833	Rotatable_Bond_Count	1
25114553	Undefined_Bond_Stereo_Count	0
65870	Isotope_Atom_Count	0
23199087	Covalent_Unit_Count	1
23724967	Covalent_Unit_Count	5
67493918	Exact_Mass	112.03851076
119095542	Isotope_Atom_Count	0
72551	Tautomer_Count	2
138024	Defined_Atom_Stereo_Count	0
129673373	Covalent_Unit_Count	1
25374	Undefined_Atom_Stereo_Count	0
8108	Tautomer_Count	1
131567	XLogP3-AA	3.9
736188	Isotope_Atom_Count	0
4571	Non-hydrogen_Atom_Count	29
60196441	Undefined_Atom_Stereo_Count	0
73174	Covalent_Unit_Count	1
24006	Defined_Bond_Stereo_Count	0
123481823	Rotatable_Bond_Count	0
57548589	Hydrogen_Bond_Donor_Count	0
123678021	Hydrogen_Bond_Acceptor_Count	0
10018576	Defined_Atom_Stereo_Count	0
6567	Rotatable_Bond_Count	1
83648	Undefined_Bond_Stereo_Count	0
89206022	Rotatable_Bond_Count	13
735091	Undefined_Bond_Stereo_Count	0
90472753	Tautomer_Count	1
23672293	Non-hydrogen_Atom_Count	12
935795	Molecular_Weight	316.8
447021	Defined_Bond_Stereo_Count	0
60835	XLogP3-AA	4.3
11417567	TPSA	68
10334	Isotope_Atom_Count	0
89027474	Hydrogen_Bond_Donor_Count	0
5375618	Total_Formal_Charge	0
74496	Total_Formal_Charge	0
90818	Hydrogen_Bond_Acceptor_Count	1
51585	Mono_Isotopic_Weight	224.08710092
67707	Defined_Bond_Stereo_Count	0
25058173	Total_Formal_Charge	0
90334	TPSA	48.1
66369	Non-hydrogen_Atom_Count	3
62388	Undefined_Atom_Stereo_Count	2
104485	Covalent_Unit_Count	1
16668	XLogP3	3.6
121749	Tautomer_Count	5
123895	Defined_Atom_Stereo_Count	1
10357919	Hydrogen_Bond_Acceptor_Count	6
15778463	Covalent_Unit_Count	1
11815712	Defined_Bond_Stereo_Count	1
18398	Covalent_Unit_Count	1
22140765	Defined_Atom_Stereo_Count	0
162302	Molecular_Weight	291.4
89027474	Defined_Bond_Stereo_Count	0
121494073	Undefined_Atom_Stereo_Count	0
7096	Hydrogen_Bond_Donor_Count	1
447405	Structure_Complexity	534
265370	Exact_Mass	113.084063974
1005	Molecular_Weight	168.04
45040472	Undefined_Bond_Stereo_Count	0
41020	TPSA	49.2
87870897	Undefined_Atom_Stereo_Count	0
4068	Rotatable_Bond_Count	2
3885	Mono_Isotopic_Weight	242.094294304
63935844	Total_Formal_Charge	0
77129	Rotatable_Bond_Count	0
148127	Undefined_Atom_Stereo_Count	0
10048103	Mono_Isotopic_Weight	426.16785316
94932	Structure_Complexity	209
12423177	Undefined_Atom_Stereo_Count	0
87280025	XLogP3-AA	0
44404643	XLogP3-AA	4.2
93418	Defined_Atom_Stereo_Count	0
6092	Non-hydrogen_Atom_Count	14
398640	Structure_Complexity	584
1811	Exact_Mass	190.01135253
45934213	Defined_Atom_Stereo_Count	8
716995	Non-hydrogen_Atom_Count	20
81261	Undefined_Bond_Stereo_Count	0
9076	TPSA	35.2
5328760	Rotatable_Bond_Count	3
2942	Total_Formal_Charge	0
89116579	Non-hydrogen_Atom_Count	8
63420	Hydrogen_Bond_Acceptor_Count	3
25200272	Hydrogen_Bond_Donor_Count	6
5462355	Hydrogen_Bond_Donor_Count	6
12313523	Undefined_Bond_Stereo_Count	0
153675783	Hydrogen_Bond_Acceptor_Count	1
124009720	XLogP3-AA	0.2
68604	Covalent_Unit_Count	1
24774737	Defined_Bond_Stereo_Count	0
2793	Exact_Mass	480.2655895
8135	Defined_Atom_Stereo_Count	0
317677	Exact_Mass	114.068079557
9837419	Molecular_Weight	223.58
119507	Hydrogen_Bond_Donor_Count	2
71387	Defined_Atom_Stereo_Count	7
13601742	Hydrogen_Bond_Acceptor_Count	2
533427	Undefined_Bond_Stereo_Count	1
40473182	Hydrogen_Bond_Acceptor_Count	5
9831414	Defined_Bond_Stereo_Count	11
962001	Defined_Bond_Stereo_Count	0
94744	Defined_Atom_Stereo_Count	0
5478933	Mono_Isotopic_Weight	473.26381923
572717	Total_Formal_Charge	0
442965	TPSA	6.5
91469	Total_Formal_Charge	0
6764	Defined_Atom_Stereo_Count	0
21314538	Defined_Atom_Stereo_Count	0
94335	Undefined_Atom_Stereo_Count	1
6437380	Undefined_Bond_Stereo_Count	0
7772	Mono_Isotopic_Weight	144.115029749
9928181	Hydrogen_Bond_Donor_Count	3
16218740	Covalent_Unit_Count	1
118797610	Structure_Complexity	151
25011728	Molecular_Weight	419.8
12359612	XLogP3-AA	1.7
140229090	TPSA	21.6
89040398	Undefined_Bond_Stereo_Count	0
118689593	Undefined_Atom_Stereo_Count	1
6436173	Structure_Complexity	1590
19600405	Undefined_Atom_Stereo_Count	0
73958	Mono_Isotopic_Weight	110.073164938
21677822	Covalent_Unit_Count	1
108068	XLogP3-AA	2.3
6096946	Exact_Mass	147.99763447
52361	Hydrogen_Bond_Acceptor_Count	3
56666341	Total_Formal_Charge	0
196445	Tautomer_Count	4
2762864	Total_Formal_Charge	0
55423	Undefined_Atom_Stereo_Count	0
135566433	Covalent_Unit_Count	1
52361	Defined_Atom_Stereo_Count	0
73078	Rotatable_Bond_Count	4
57399142	Mono_Isotopic_Weight	389.0268720
71460731	Rotatable_Bond_Count	5
13808253	Covalent_Unit_Count	1
4142809	Total_Formal_Charge	0
114612	Total_Formal_Charge	0
19022	Isotope_Atom_Count	0
21225236	Covalent_Unit_Count	1
10923804	TPSA	85.8
300166	Structure_Complexity	125
11430	Defined_Bond_Stereo_Count	0
76430	Structure_Complexity	50.1
165574	Undefined_Atom_Stereo_Count	2
126968495	Undefined_Atom_Stereo_Count	0
118511060	Defined_Bond_Stereo_Count	0
10864881	Exact_Mass	114.068079557
84098	Hydrogen_Bond_Acceptor_Count	8
65920	Tautomer_Count	9
9950094	Hydrogen_Bond_Donor_Count	1
19930642	Non-hydrogen_Atom_Count	7
6294	Structure_Complexity	218
257	Isotope_Atom_Count	0
25023837	Non-hydrogen_Atom_Count	30
3366	Total_Formal_Charge	0
12358320	Hydrogen_Bond_Donor_Count	4
5365794	Tautomer_Count	1
8945	Molecular_Weight	204.13
12546498	Defined_Atom_Stereo_Count	2
46201499	Tautomer_Count	1
10157484	Undefined_Atom_Stereo_Count	0
23675747	Structure_Complexity	454
14493	Defined_Atom_Stereo_Count	0
12209630	Hydrogen_Bond_Acceptor_Count	2
12543515	Molecular_Weight	59.09
1603	Structure_Complexity	794
179668	Tautomer_Count	3
5353439	Defined_Atom_Stereo_Count	0
3295	Hydrogen_Bond_Donor_Count	1
1747	Total_Formal_Charge	0
139064747	Undefined_Atom_Stereo_Count	0
11432307	Undefined_Bond_Stereo_Count	0
69333672	Molecular_Weight	108.10
54285963	Structure_Complexity	198
27655	Mono_Isotopic_Weight	151.9876363
10184774	Structure_Complexity	731
12962854	Total_Formal_Charge	0
9164	Isotope_Atom_Count	0
812042	Rotatable_Bond_Count	5
23668193	Rotatable_Bond_Count	0
88533	Hydrogen_Bond_Acceptor_Count	2
69173085	Exact_Mass	99.104799419
164005849	Exact_Mass	111.079647300
6436138	Structure_Complexity	499
18768052	Defined_Atom_Stereo_Count	0
17652	Tautomer_Count	1
68745	Total_Formal_Charge	0
144813235	Structure_Complexity	139
22385	Hydrogen_Bond_Acceptor_Count	0
3058754	Defined_Bond_Stereo_Count	0
15561473	Hydrogen_Bond_Donor_Count	2
37642	Tautomer_Count	1
108051	Isotope_Atom_Count	0
7019	Covalent_Unit_Count	1
90657669	Mono_Isotopic_Weight	582.27164427
132677	Covalent_Unit_Count	1
24906324	Covalent_Unit_Count	1
68081017	Total_Formal_Charge	0
191120	Molecular_Weight	176.17
91711338	Defined_Atom_Stereo_Count	6
692587	XLogP3-AA	4.7
48104	Molecular_Weight	259.77
9855476	Structure_Complexity	154
68956	Defined_Atom_Stereo_Count	0
81093	Non-hydrogen_Atom_Count	8
5280493	TPSA	242
89054492	Hydrogen_Bond_Acceptor_Count	2
104902	Total_Formal_Charge	0
10969	Hydrogen_Bond_Acceptor_Count	2
18687754	Exact_Mass	348.00794255
4136	Covalent_Unit_Count	1
67137411	Molecular_Weight	111.06
75755	Defined_Atom_Stereo_Count	0
11977753	Mono_Isotopic_Weight	469.19026037
543879	Hydrogen_Bond_Acceptor_Count	1
72200226	Covalent_Unit_Count	1
1153	Structure_Complexity	176
65937	Tautomer_Count	2
24611	Hydrogen_Bond_Acceptor_Count	0
85595	Undefined_Atom_Stereo_Count	0
136120826	Non-hydrogen_Atom_Count	7
28523	Total_Formal_Charge	0
53847404	Defined_Bond_Stereo_Count	0
59539	Covalent_Unit_Count	1
9727	Covalent_Unit_Count	1
179	Rotatable_Bond_Count	1
78484	Covalent_Unit_Count	1
67807	Undefined_Atom_Stereo_Count	0
12329	Defined_Bond_Stereo_Count	0
12035	Hydrogen_Bond_Donor_Count	3
262352	Hydrogen_Bond_Donor_Count	1
7485	TPSA	55
2800	Hydrogen_Bond_Donor_Count	0
19073932	Molecular_Weight	114.14
65531	Structure_Complexity	126
449293	Isotope_Atom_Count	0
146159909	Rotatable_Bond_Count	13
6852167	TPSA	145
164667083	Undefined_Bond_Stereo_Count	0
5287468	Defined_Bond_Stereo_Count	0
5357253	XLogP3-AA	3.6
6539020	Undefined_Atom_Stereo_Count	0
83270	Defined_Atom_Stereo_Count	0
44260118	Molecular_Weight	822.9
88155838	Defined_Atom_Stereo_Count	5
17754220	Undefined_Atom_Stereo_Count	0
10401	TPSA	26.3
44345361	Rotatable_Bond_Count	3
68512	Hydrogen_Bond_Donor_Count	2
102601371	Defined_Bond_Stereo_Count	0
14601092	XLogP3	4.3
2724248	Molecular_Weight	260.29
9949821	Isotope_Atom_Count	0
118596336	Total_Formal_Charge	0
7619	Undefined_Bond_Stereo_Count	0
6420040	Structure_Complexity	308
10231705	Defined_Atom_Stereo_Count	0
36688135	Defined_Bond_Stereo_Count	0
10972974	Undefined_Bond_Stereo_Count	0
60982	Tautomer_Count	13
526950	Molecular_Weight	110.11
163201191	Structure_Complexity	99.7
46937085	Isotope_Atom_Count	0
11081093	Tautomer_Count	1
5282438	Structure_Complexity	1060
1257	Rotatable_Bond_Count	2
53389	Hydrogen_Bond_Acceptor_Count	2
78949	Isotope_Atom_Count	0
12625720	Undefined_Atom_Stereo_Count	2
66587064	Covalent_Unit_Count	2
21924633	Hydrogen_Bond_Acceptor_Count	1
12943708	Hydrogen_Bond_Acceptor_Count	1
26956	Defined_Bond_Stereo_Count	0
62773515	Covalent_Unit_Count	1
141445129	Defined_Bond_Stereo_Count	0
154986845	XLogP3-AA	1.1
59037463	Molecular_Weight	303.35
780	Rotatable_Bond_Count	2
2762785	Defined_Atom_Stereo_Count	0
53413800	Isotope_Atom_Count	0
131704481	Structure_Complexity	1290
58125087	Molecular_Weight	109.13
86585	Defined_Bond_Stereo_Count	0
5284516	Defined_Atom_Stereo_Count	2
154731207	Undefined_Bond_Stereo_Count	0
3033992	Undefined_Atom_Stereo_Count	0
3081349	TPSA	121
14958952	Isotope_Atom_Count	0
100030	XLogP3-AA	0.2
4202286	Non-hydrogen_Atom_Count	50
13166771	Defined_Atom_Stereo_Count	0
58233	Undefined_Atom_Stereo_Count	2
74978	Non-hydrogen_Atom_Count	18
1701	Molecular_Weight	203.24
148821664	Defined_Atom_Stereo_Count	0
5363548	Undefined_Bond_Stereo_Count	0
2599	Exact_Mass	187.074561919
19972	Defined_Atom_Stereo_Count	4
5288991	Defined_Atom_Stereo_Count	4
6321	Non-hydrogen_Atom_Count	9
44424639	Structure_Complexity	1690
2724564	Total_Formal_Charge	0
444627	Molecular_Weight	1118.8
6114	Isotope_Atom_Count	0
12920383	Defined_Bond_Stereo_Count	0
431094	Hydrogen_Bond_Acceptor_Count	18
7680	Undefined_Bond_Stereo_Count	0
38085	Structure_Complexity	306
90708518	Undefined_Atom_Stereo_Count	0
1616	Non-hydrogen_Atom_Count	14
47491	Total_Formal_Charge	0
125461706	Isotope_Atom_Count	0
42807	XLogP3	2.9
36149	Undefined_Atom_Stereo_Count	0
9863827	Undefined_Atom_Stereo_Count	0
75881	XLogP3-AA	1.5
3323161	Isotope_Atom_Count	0
12524130	Mono_Isotopic_Weight	110.073164938
67807	Defined_Atom_Stereo_Count	0
25014810	Covalent_Unit_Count	1
17462	Isotope_Atom_Count	0
97730	Defined_Atom_Stereo_Count	0
10309028	Defined_Atom_Stereo_Count	0
10417847	Rotatable_Bond_Count	44
57551933	Mono_Isotopic_Weight	114.104465066
5356697	Molecular_Weight	82.10
44145008	Structure_Complexity	36.4
2653	Isotope_Atom_Count	0
128872	Hydrogen_Bond_Donor_Count	1
53483390	Defined_Atom_Stereo_Count	5
91202	Covalent_Unit_Count	1
140400	Undefined_Atom_Stereo_Count	0
5212856	Non-hydrogen_Atom_Count	20
143565	Rotatable_Bond_Count	1
10076625	Hydrogen_Bond_Acceptor_Count	10
21031014	XLogP3-AA	0.3
123254	Undefined_Atom_Stereo_Count	0
65724	Total_Formal_Charge	0
51918	Mono_Isotopic_Weight	181.05613515
642157	Molecular_Weight	121.16
57735	Mono_Isotopic_Weight	294.19434270
14081	Defined_Atom_Stereo_Count	0
46936967	Mono_Isotopic_Weight	359.966246
12389638	Molecular_Weight	94.15
87424384	Defined_Bond_Stereo_Count	0
4343483	TPSA	0
11693901	Defined_Bond_Stereo_Count	0
6114	Defined_Bond_Stereo_Count	0
12740462	Total_Formal_Charge	0
23279304	Defined_Bond_Stereo_Count	0
1774	Covalent_Unit_Count	1
81476	Total_Formal_Charge	0
394156	Hydrogen_Bond_Donor_Count	1
5463858	Hydrogen_Bond_Acceptor_Count	5
16048642	Isotope_Atom_Count	0
129693502	Non-hydrogen_Atom_Count	29
24825758	Hydrogen_Bond_Acceptor_Count	18
66727	Hydrogen_Bond_Acceptor_Count	3
137699165	TPSA	132
44814409	XLogP3-AA	3.9
657690	Total_Formal_Charge	1
89886	Exact_Mass	572.13804064
8049	Undefined_Atom_Stereo_Count	0
65533	Hydrogen_Bond_Donor_Count	6
5281764	Undefined_Bond_Stereo_Count	0
65981	Undefined_Bond_Stereo_Count	0
5026	Non-hydrogen_Atom_Count	26
15790	Isotope_Atom_Count	0
60209624	Defined_Atom_Stereo_Count	0
120070	Hydrogen_Bond_Donor_Count	0
11247	Undefined_Bond_Stereo_Count	0
704481	Defined_Bond_Stereo_Count	0
9548801	Total_Formal_Charge	0
44246529	Hydrogen_Bond_Donor_Count	2
18335911	Total_Formal_Charge	0
80507	Non-hydrogen_Atom_Count	7
21880519	Mono_Isotopic_Weight	144.151415257
50077	Total_Formal_Charge	0
5463911	Isotope_Atom_Count	0
2471	TPSA	127
20385080	Covalent_Unit_Count	1
67630	Hydrogen_Bond_Acceptor_Count	5
118855590	Hydrogen_Bond_Acceptor_Count	3
18029	Undefined_Atom_Stereo_Count	0
69705	Isotope_Atom_Count	0
5317	Covalent_Unit_Count	1
6436143	TPSA	571
3048	XLogP3-AA	3.7
8961	Hydrogen_Bond_Donor_Count	1
480953	Isotope_Atom_Count	0
58082088	Mono_Isotopic_Weight	116.083729621
22408685	Hydrogen_Bond_Acceptor_Count	2
16051584	Rotatable_Bond_Count	6
3539116	Mono_Isotopic_Weight	140.97752722
11030720	Exact_Mass	196.07355886
4555	XLogP3-AA	5.3
11710986	XLogP3-AA	3.8
166775	Exact_Mass	666.22185834
38282	Defined_Bond_Stereo_Count	0
5367460	Exact_Mass	306.255880323
66601	TPSA	54.4
10976469	Hydrogen_Bond_Donor_Count	4
17736	Hydrogen_Bond_Acceptor_Count	0
53316388	Hydrogen_Bond_Donor_Count	2
88077632	Mono_Isotopic_Weight	155.142041939
9974756	Undefined_Atom_Stereo_Count	0
694638	Exact_Mass	326.12013238
11852	Defined_Bond_Stereo_Count	0
6993205	Undefined_Atom_Stereo_Count	0
10335364	Total_Formal_Charge	0
3100	Undefined_Bond_Stereo_Count	0
3350	Hydrogen_Bond_Donor_Count	2
11589453	Undefined_Atom_Stereo_Count	1
13376	XLogP3-AA	0.8
60148380	Defined_Bond_Stereo_Count	0
75354	Non-hydrogen_Atom_Count	27
1082	Hydrogen_Bond_Acceptor_Count	9
12660241	TPSA	37.4
7734	XLogP3-AA	3.5
95043	Defined_Bond_Stereo_Count	0
54695720	Mono_Isotopic_Weight	407.999111
5496539	Total_Formal_Charge	1
44308032	Hydrogen_Bond_Acceptor_Count	4
3734343	Structure_Complexity	343
93680	Defined_Atom_Stereo_Count	0
20465494	Structure_Complexity	84.1
66100	Non-hydrogen_Atom_Count	16
71311141	Mono_Isotopic_Weight	222.161979940
445892	Molecular_Weight	165.23
444655	Exact_Mass	121.076573296
8067	XLogP3-AA	2.3
70752	Rotatable_Bond_Count	1
71439018	Isotope_Atom_Count	0
58840878	Isotope_Atom_Count	0
11534927	Non-hydrogen_Atom_Count	16
44251266	Exact_Mass	376.22497412
2218	Hydrogen_Bond_Acceptor_Count	2
10130360	Structure_Complexity	193
27712	Isotope_Atom_Count	0
160647	Rotatable_Bond_Count	8
123134537	Exact_Mass	898.1762920
81261	Undefined_Atom_Stereo_Count	0
14690973	TPSA	26.3
17913	Total_Formal_Charge	0
54033586	Covalent_Unit_Count	1
5140	Molecular_Weight	392.5
463694	Mono_Isotopic_Weight	272.07970687
22175060	Mono_Isotopic_Weight	117.078978594
10991686	Undefined_Atom_Stereo_Count	0
147570519	Non-hydrogen_Atom_Count	7
3035657	Isotope_Atom_Count	0
42580057	Undefined_Bond_Stereo_Count	0
7593	TPSA	17.1
443604	Mono_Isotopic_Weight	493.32258015
11724027	Hydrogen_Bond_Acceptor_Count	4
78148	Mono_Isotopic_Weight	81.057849228
1	Tautomer_Count	1
62819	Hydrogen_Bond_Acceptor_Count	15
91461198	Covalent_Unit_Count	1
71458869	Non-hydrogen_Atom_Count	34
533930	Defined_Atom_Stereo_Count	0
18819	Exact_Mass	246.12873571
58420420	Covalent_Unit_Count	1
57190391	Hydrogen_Bond_Donor_Count	0
6916	Undefined_Bond_Stereo_Count	0
2309	XLogP3	2
642792	Hydrogen_Bond_Donor_Count	0
6440554	Structure_Complexity	736
10258659	Hydrogen_Bond_Acceptor_Count	6
9855448	Rotatable_Bond_Count	0
15475283	Total_Formal_Charge	0
89590	Exact_Mass	164.083729621
71560031	Non-hydrogen_Atom_Count	33
148013616	Hydrogen_Bond_Donor_Count	2
694876	Covalent_Unit_Count	1
136870	Defined_Bond_Stereo_Count	0
20689	Covalent_Unit_Count	1
4192	Defined_Bond_Stereo_Count	0
12304109	Undefined_Atom_Stereo_Count	0
8672	Hydrogen_Bond_Acceptor_Count	3
213013	Total_Formal_Charge	0
19860177	Total_Formal_Charge	0
5462309	Defined_Atom_Stereo_Count	0
146962972	Exact_Mass	97.089149355
19	Molecular_Weight	154.12
10966	XLogP3	1.5
8259	Hydrogen_Bond_Acceptor_Count	1
66316	Mono_Isotopic_Weight	204.078644241
10660	TPSA	81.8
85542	Total_Formal_Charge	0
69251960	Isotope_Atom_Count	0
7200	XLogP3	1.5
12515628	Undefined_Bond_Stereo_Count	0
7951	Rotatable_Bond_Count	0
3081420	Exact_Mass	186.013186
91185	Isotope_Atom_Count	0
15938	Total_Formal_Charge	0
44571915	Undefined_Bond_Stereo_Count	0
18720270	Molecular_Weight	115.13
10042942	Defined_Atom_Stereo_Count	1
102505711	Mono_Isotopic_Weight	384.0699267
10004622	Undefined_Bond_Stereo_Count	0
47552	Hydrogen_Bond_Donor_Count	0
10964	Covalent_Unit_Count	1
13023574	Hydrogen_Bond_Donor_Count	3
96776	Isotope_Atom_Count	0
712377	Tautomer_Count	2
640308	Tautomer_Count	3
16051969	Undefined_Atom_Stereo_Count	0
13978	Tautomer_Count	3
62816	Mono_Isotopic_Weight	281.1982382
129696925	Total_Formal_Charge	0
93279	Rotatable_Bond_Count	6
64929	XLogP3	3.9
7560	Covalent_Unit_Count	1
40949	Structure_Complexity	470
14960	Structure_Complexity	1620
470375	Molecular_Weight	428.4
165363453	Rotatable_Bond_Count	6
54517091	Exact_Mass	94.078250319
57157895	Exact_Mass	106.078250319
46841215	Rotatable_Bond_Count	7
2778	Non-hydrogen_Atom_Count	49
28554	Defined_Atom_Stereo_Count	0
72296	Total_Formal_Charge	0
5364714	Tautomer_Count	1
577022	Total_Formal_Charge	0
20060494	Non-hydrogen_Atom_Count	7
12441662	Total_Formal_Charge	0
1150344	Covalent_Unit_Count	1
10250	Undefined_Atom_Stereo_Count	0
79126	TPSA	40.5
5717	Structure_Complexity	1010
4132	Undefined_Bond_Stereo_Count	0
10627323	TPSA	105
6344	Hydrogen_Bond_Acceptor_Count	0
2895	Undefined_Bond_Stereo_Count	0
9824131	Undefined_Bond_Stereo_Count	0
97994	Non-hydrogen_Atom_Count	13
15056663	Non-hydrogen_Atom_Count	17
97627066	Covalent_Unit_Count	1
2800612	Defined_Atom_Stereo_Count	0
9949812	Total_Formal_Charge	0
13510025	Total_Formal_Charge	0
220639	Mono_Isotopic_Weight	117.078978594
139291782	Exact_Mass	922.36702371
46193079	XLogP3	8.1
131634907	Molecular_Weight	2083.9
16212088	Non-hydrogen_Atom_Count	12
50538	Non-hydrogen_Atom_Count	21
15207340	Undefined_Atom_Stereo_Count	1
9943908	Exact_Mass	255.1026065
5324168	Rotatable_Bond_Count	2
135564985	Molecular_Weight	364.4
20514191	Exact_Mass	99.104799419
19846	Hydrogen_Bond_Acceptor_Count	2
637541	Undefined_Atom_Stereo_Count	0
5748152	Total_Formal_Charge	0
2772687	Non-hydrogen_Atom_Count	19
90495	Molecular_Weight	218.25
89318	Isotope_Atom_Count	0
15043884	Rotatable_Bond_Count	2
4993182	Covalent_Unit_Count	1
25164108	Hydrogen_Bond_Donor_Count	3
101973938	Structure_Complexity	772
2762816	Defined_Atom_Stereo_Count	0
70177	Hydrogen_Bond_Donor_Count	2
34763	Defined_Bond_Stereo_Count	0
40784491	Non-hydrogen_Atom_Count	11
1385	Undefined_Atom_Stereo_Count	0
188205	Covalent_Unit_Count	1
2896	Rotatable_Bond_Count	2
69188	Tautomer_Count	1
56955070	Hydrogen_Bond_Donor_Count	1
2005	Structure_Complexity	156
6433082	Isotope_Atom_Count	0
47491	Hydrogen_Bond_Acceptor_Count	7
2733	Defined_Atom_Stereo_Count	0
12245594	XLogP3-AA	1.7
8843	Total_Formal_Charge	0
577543	Total_Formal_Charge	0
136502787	Defined_Bond_Stereo_Count	0
18755330	XLogP3-AA	0.2
67962	Undefined_Bond_Stereo_Count	0
6369	Hydrogen_Bond_Donor_Count	0
46934730	Mono_Isotopic_Weight	265.09635999
517045	Molecular_Weight	82.03
11091168	Defined_Bond_Stereo_Count	0
17103	Undefined_Bond_Stereo_Count	0
72200357	XLogP3-AA	3.3
24648	Defined_Atom_Stereo_Count	0
10039774	Hydrogen_Bond_Acceptor_Count	2
117891679	TPSA	17.1
135394876	Isotope_Atom_Count	0
321710	TPSA	29.1
81364	Defined_Bond_Stereo_Count	0
65309	Defined_Bond_Stereo_Count	0
16106473	Isotope_Atom_Count	0
43095	Tautomer_Count	1
11667893	Mono_Isotopic_Weight	373.19026037
68392349	Undefined_Bond_Stereo_Count	0
85960305	Rotatable_Bond_Count	1
47909	Undefined_Bond_Stereo_Count	1
6918309	Mono_Isotopic_Weight	440.06129312
141	Defined_Bond_Stereo_Count	0
65719	Total_Formal_Charge	0
41170	Molecular_Weight	100.16
44338970	Molecular_Weight	485.6
89339	Isotope_Atom_Count	0
2103	Isotope_Atom_Count	0
400010	Defined_Bond_Stereo_Count	0
131535	Molecular_Weight	623.7
53432	Hydrogen_Bond_Acceptor_Count	1
3009010	Rotatable_Bond_Count	12
5569	Isotope_Atom_Count	0
12504793	TPSA	20.2
9294	Exact_Mass	165.115364102
23989	Tautomer_Count	70
77781	Mono_Isotopic_Weight	206.06128010
134129849	XLogP3-AA	1.8
3033679	TPSA	106
10953454	Isotope_Atom_Count	0
134	Hydrogen_Bond_Acceptor_Count	2
12663409	Structure_Complexity	70.1
2758875	XLogP3-AA	0.2
11344362	Molecular_Weight	181.15
62158	Molecular_Weight	242.23
12529295	Covalent_Unit_Count	1
9699	Defined_Atom_Stereo_Count	0
84614	Defined_Bond_Stereo_Count	0
2415	Structure_Complexity	618
80152	Covalent_Unit_Count	1
528143	Covalent_Unit_Count	1
12014	Undefined_Atom_Stereo_Count	0
129652927	Total_Formal_Charge	0
23663977	Rotatable_Bond_Count	14
1017	Total_Formal_Charge	0
54149606	Covalent_Unit_Count	1
9954082	Non-hydrogen_Atom_Count	29
91500	Total_Formal_Charge	0
76223940	TPSA	21.9
11582982	Molecular_Weight	438.6
5363548	Undefined_Atom_Stereo_Count	0
53317131	TPSA	78.3
165340026	Undefined_Bond_Stereo_Count	0
1093	Undefined_Bond_Stereo_Count	0
448014	TPSA	137
9939627	Total_Formal_Charge	0
403661	Defined_Atom_Stereo_Count	0
95883	TPSA	101
129627802	Mono_Isotopic_Weight	842.51400504
17907809	Defined_Bond_Stereo_Count	0
87527569	Undefined_Bond_Stereo_Count	0
439299	Undefined_Bond_Stereo_Count	0
7190	TPSA	37.3
9846078	Undefined_Atom_Stereo_Count	0
11429	Undefined_Bond_Stereo_Count	0
13658066	Exact_Mass	112.052429494
6439276	Covalent_Unit_Count	2
13737991	Exact_Mass	88.052429494
5359327	Hydrogen_Bond_Donor_Count	0
5447130	Non-hydrogen_Atom_Count	14
129891	Defined_Bond_Stereo_Count	0
3035	Defined_Bond_Stereo_Count	0
77342	Covalent_Unit_Count	1
143061	Isotope_Atom_Count	0
67356	Total_Formal_Charge	0
123831	Covalent_Unit_Count	1
2684	XLogP3-AA	1.5
164877	XLogP3-AA	5
5916968	Molecular_Weight	557.6
135080	Total_Formal_Charge	0
75243795	XLogP3-AA	3.1
25151352	Defined_Atom_Stereo_Count	0
16976	Mono_Isotopic_Weight	139.026943022
3045402	Structure_Complexity	303
20200448	Defined_Bond_Stereo_Count	0
10953443	Defined_Bond_Stereo_Count	0
134812477	Structure_Complexity	851
9227	Defined_Bond_Stereo_Count	0
25167947	Total_Formal_Charge	0
11598	Total_Formal_Charge	0
135871122	Tautomer_Count	85
72322	Structure_Complexity	502
124524515	Undefined_Bond_Stereo_Count	0
536124	Structure_Complexity	111
83949	XLogP3-AA	3.2
216454	TPSA	65.2
140152869	Rotatable_Bond_Count	2
6116	Exact_Mass	157.9891995
25007799	Covalent_Unit_Count	1
544380	Non-hydrogen_Atom_Count	10
79037	Mono_Isotopic_Weight	125.120449483
89613815	Undefined_Bond_Stereo_Count	1
2324	Total_Formal_Charge	0
57406717	Covalent_Unit_Count	1
40854	Molecular_Weight	315.3
129860157	Total_Formal_Charge	0
20055294	Tautomer_Count	1
248934	Total_Formal_Charge	0
7409	Exact_Mass	122.073164938
134551	Defined_Bond_Stereo_Count	0
5352426	Defined_Bond_Stereo_Count	0
5702031	TPSA	46.3
22096	Defined_Bond_Stereo_Count	0
6994	Isotope_Atom_Count	0
7118	Defined_Atom_Stereo_Count	0
779642	Rotatable_Bond_Count	6
23616669	Hydrogen_Bond_Donor_Count	1
20689	Exact_Mass	190.12656044
5160	Covalent_Unit_Count	1
3293	Hydrogen_Bond_Donor_Count	1
5093953	Defined_Bond_Stereo_Count	0
65067	Defined_Bond_Stereo_Count	0
247839	Tautomer_Count	15
117899707	Defined_Bond_Stereo_Count	0
21275418	Covalent_Unit_Count	1
12185	Rotatable_Bond_Count	3
69393	Total_Formal_Charge	0
81255	Structure_Complexity	229
86574136	Isotope_Atom_Count	0
121316818	Isotope_Atom_Count	0
2733531	Structure_Complexity	681
85728	Hydrogen_Bond_Donor_Count	1
523547	Structure_Complexity	179
9895193	Total_Formal_Charge	0
5280346	Undefined_Atom_Stereo_Count	0
887830	Covalent_Unit_Count	1
3852430	Undefined_Atom_Stereo_Count	0
7537	Isotope_Atom_Count	0
3084101	Mono_Isotopic_Weight	309.714777
135410914	Isotope_Atom_Count	0
907504	Rotatable_Bond_Count	0
57473	TPSA	47.6
9245	Non-hydrogen_Atom_Count	7
104416	Undefined_Bond_Stereo_Count	0
11051814	Hydrogen_Bond_Donor_Count	0
4323059	Molecular_Weight	138.14
20209050	TPSA	46.6
4679699	Molecular_Weight	188.57
6477182	Structure_Complexity	596
4066245	Non-hydrogen_Atom_Count	22
97971	Hydrogen_Bond_Acceptor_Count	3
8680	Undefined_Bond_Stereo_Count	0
5284535	Mono_Isotopic_Weight	392.1390516
5743568	Tautomer_Count	40
135444614	XLogP3-AA	4.3
139024568	Total_Formal_Charge	0
67541	Structure_Complexity	263
91770	Non-hydrogen_Atom_Count	20
2296	TPSA	114
16733194	Undefined_Atom_Stereo_Count	0
93130	Isotope_Atom_Count	0
769	Hydrogen_Bond_Acceptor_Count	3
139087298	TPSA	89.7
11840951	Rotatable_Bond_Count	3
6336	Structure_Complexity	345
40637217	XLogP3-AA	3.3
9555	Hydrogen_Bond_Acceptor_Count	21
69408	TPSA	35.5
11688573	Undefined_Atom_Stereo_Count	0
11375895	Molecular_Weight	523.8
72200863	Exact_Mass	554.32301113
23338787	TPSA	26.3
139087380	XLogP3-AA	6.8
3793	Undefined_Bond_Stereo_Count	0
7515	Rotatable_Bond_Count	1
165339	Tautomer_Count	1
7806	Structure_Complexity	66.9
89053264	Non-hydrogen_Atom_Count	8
15614042	TPSA	89.5
20056743	Isotope_Atom_Count	0
123954185	TPSA	3
18684904	Undefined_Bond_Stereo_Count	0
60207729	Mono_Isotopic_Weight	113.022526347
66774	Hydrogen_Bond_Acceptor_Count	3
18868	Undefined_Atom_Stereo_Count	0
117938207	Non-hydrogen_Atom_Count	12
6474640	Hydrogen_Bond_Donor_Count	7
11538502	Hydrogen_Bond_Donor_Count	2
117439	Hydrogen_Bond_Acceptor_Count	5
12370	Undefined_Bond_Stereo_Count	0
24883735	Mono_Isotopic_Weight	408.28757437
436515	Exact_Mass	367.04331
25242	Mono_Isotopic_Weight	53.00770536
13195837	Undefined_Atom_Stereo_Count	2
5946	Tautomer_Count	1
6965	Hydrogen_Bond_Acceptor_Count	1
1888	Mono_Isotopic_Weight	352.22497412
66532	Rotatable_Bond_Count	1
447153	Hydrogen_Bond_Donor_Count	1
54691418	Exact_Mass	216.06338810
5148195	Mono_Isotopic_Weight	169.110278721
12571	Hydrogen_Bond_Donor_Count	0
56680335	Undefined_Atom_Stereo_Count	0
3828	Hydrogen_Bond_Donor_Count	0
5460364	Mono_Isotopic_Weight	115.039519081
44458766	Molecular_Weight	275.3
76500	XLogP3-AA	1.9
157355	Undefined_Atom_Stereo_Count	0
5372720	Structure_Complexity	333
17693	Undefined_Atom_Stereo_Count	0
1221	Covalent_Unit_Count	1
19589	Tautomer_Count	1
21473742	TPSA	65.6
443716	Rotatable_Bond_Count	0
15290	Total_Formal_Charge	0
905454	Rotatable_Bond_Count	4
616236	Hydrogen_Bond_Acceptor_Count	3
120741	Rotatable_Bond_Count	5
20188118	Hydrogen_Bond_Donor_Count	0
5361092	Hydrogen_Bond_Donor_Count	2
12955	Undefined_Bond_Stereo_Count	0
2797779	XLogP3-AA	0.3
38382	Tautomer_Count	1
14416018	Structure_Complexity	115
135423438	Undefined_Bond_Stereo_Count	0
48188	Total_Formal_Charge	0
16231	Covalent_Unit_Count	1
18715492	Total_Formal_Charge	0
71455276	Hydrogen_Bond_Donor_Count	1
88423	Structure_Complexity	154
55290154	Total_Formal_Charge	0
3034287	Mono_Isotopic_Weight	270.0883534
87401	Total_Formal_Charge	0
41515	Hydrogen_Bond_Acceptor_Count	0
838267	XLogP3-AA	3.3
1549991	Mono_Isotopic_Weight	100.088815002
4788	Undefined_Bond_Stereo_Count	0
7971	TPSA	33.1
644109	Defined_Atom_Stereo_Count	5
20426485	Exact_Mass	100.088815002
246	TPSA	89
14917	Non-hydrogen_Atom_Count	1
15620	Rotatable_Bond_Count	4
529268	Non-hydrogen_Atom_Count	8
203329	Undefined_Atom_Stereo_Count	0
98888	Covalent_Unit_Count	1
67810472	Covalent_Unit_Count	1
77813014	Defined_Atom_Stereo_Count	0
102360081	Hydrogen_Bond_Donor_Count	1
556836	TPSA	20.2
667467	XLogP3	5.2
14949211	TPSA	12
55301151	Structure_Complexity	94.1
6918242	Total_Formal_Charge	0
13359319	Mono_Isotopic_Weight	114.104465066
21093792	TPSA	90.9
44336199	Covalent_Unit_Count	1
70447	Defined_Bond_Stereo_Count	0
76736	TPSA	0
37153	Isotope_Atom_Count	0
12007564	Structure_Complexity	149
123754760	Defined_Atom_Stereo_Count	0
2703	Tautomer_Count	1
8374	Total_Formal_Charge	0
6918638	TPSA	104
15993	Hydrogen_Bond_Acceptor_Count	16
54726514	Undefined_Atom_Stereo_Count	0
5742590	Tautomer_Count	1
270	Structure_Complexity	4220
23725051	Structure_Complexity	237
14800	Undefined_Atom_Stereo_Count	0
11954389	Rotatable_Bond_Count	5
15273943	Mono_Isotopic_Weight	112.052429494
44119602	Molecular_Weight	108.10
102228006	Exact_Mass	290.130679813
45614	Rotatable_Bond_Count	7
98043898	Structure_Complexity	688
5352693	Total_Formal_Charge	0
13059052	Hydrogen_Bond_Donor_Count	2
44345559	Defined_Atom_Stereo_Count	9
12268623	Covalent_Unit_Count	1
44123551	Defined_Bond_Stereo_Count	1
40818	Molecular_Weight	152.06
129316724	Isotope_Atom_Count	3
24958200	Undefined_Atom_Stereo_Count	0
79088	TPSA	60.2
10920463	Rotatable_Bond_Count	0
91936858	Defined_Atom_Stereo_Count	1
10307849	Isotope_Atom_Count	0
1056	Isotope_Atom_Count	0
22269415	Mono_Isotopic_Weight	99.068413911
439998	Molecular_Weight	290.27
2486	Defined_Atom_Stereo_Count	0
6713443	XLogP3-AA	3.3
3579812	Defined_Bond_Stereo_Count	0
84647730	Mono_Isotopic_Weight	116.083729621
55286536	Defined_Bond_Stereo_Count	0
85576	Total_Formal_Charge	0
33934	Non-hydrogen_Atom_Count	28
20535601	Undefined_Atom_Stereo_Count	0
75931	Exact_Mass	400.287849157
162148	Total_Formal_Charge	0
86112	Tautomer_Count	1
105035	Hydrogen_Bond_Acceptor_Count	3
44412343	Structure_Complexity	484
80399	Mono_Isotopic_Weight	714.15396894
140988277	Defined_Bond_Stereo_Count	0
86054107	XLogP3-AA	4.5
15808	Isotope_Atom_Count	0
37251	Total_Formal_Charge	0
5966	Hydrogen_Bond_Donor_Count	0
5284429	Undefined_Bond_Stereo_Count	0
5342002	Mono_Isotopic_Weight	285.0920418
60936	TPSA	146
91027594	Hydrogen_Bond_Acceptor_Count	0
70730	Defined_Atom_Stereo_Count	0
2296	Tautomer_Count	5
54184524	Hydrogen_Bond_Donor_Count	1
103940	Exact_Mass	154.135765193
61996	Tautomer_Count	1
88898	Isotope_Atom_Count	0
122283	Defined_Bond_Stereo_Count	0
25818	Isotope_Atom_Count	0
77372	Defined_Bond_Stereo_Count	0
2936	Exact_Mass	339.99604987
17895808	Total_Formal_Charge	0
22833326	Hydrogen_Bond_Donor_Count	0
7153	Rotatable_Bond_Count	3
25151504	Isotope_Atom_Count	0
5357155	Mono_Isotopic_Weight	205.07389321
53487898	Rotatable_Bond_Count	111
545809	Molecular_Weight	200.28
152943	Mono_Isotopic_Weight	379.17433553
9950094	Mono_Isotopic_Weight	345.1244046
7015680	Mono_Isotopic_Weight	111.104799419
72741573	Undefined_Bond_Stereo_Count	0
101989	Mono_Isotopic_Weight	274.229665576
114905	Rotatable_Bond_Count	14
751505	Hydrogen_Bond_Acceptor_Count	4
163925	Hydrogen_Bond_Acceptor_Count	6
9793735	Molecular_Weight	115.17
11339	TPSA	115
165295	TPSA	40.5
6505	Defined_Bond_Stereo_Count	0
21117498	Structure_Complexity	83.7
1527	Isotope_Atom_Count	0
449435	Defined_Bond_Stereo_Count	0
24892716	Defined_Bond_Stereo_Count	3
135546482	Rotatable_Bond_Count	2
7019277	TPSA	46.5
32336	Mono_Isotopic_Weight	430.24204178
139087064	Mono_Isotopic_Weight	172.03804273
13694815	Structure_Complexity	96.4
60652	Defined_Atom_Stereo_Count	0
9868491	Non-hydrogen_Atom_Count	32
491122	Defined_Bond_Stereo_Count	0
91884833	Defined_Atom_Stereo_Count	6
67240553	Undefined_Atom_Stereo_Count	0
5324776	Undefined_Atom_Stereo_Count	0
479503	Non-hydrogen_Atom_Count	21
2617	Isotope_Atom_Count	0
9	Hydrogen_Bond_Acceptor_Count	9
21830223	Structure_Complexity	48.1
91985	Molecular_Weight	96.17
91819762	Hydrogen_Bond_Acceptor_Count	12
15424	Exact_Mass	375.1965069
65909	Covalent_Unit_Count	1
5282198	Molecular_Weight	266.4
546877	Molecular_Weight	103.16
164608	Undefined_Bond_Stereo_Count	0
25151504	Defined_Bond_Stereo_Count	0
135391136	Rotatable_Bond_Count	13
6918405	Structure_Complexity	517
11434448	Total_Formal_Charge	0
10039361	Undefined_Atom_Stereo_Count	0
66369	Tautomer_Count	1
1714	Non-hydrogen_Atom_Count	23
5352845	XLogP3-AA	4.6
151166	Tautomer_Count	37
12260	TPSA	0
71434160	Structure_Complexity	688
492901	Non-hydrogen_Atom_Count	26
91463	TPSA	40.5
9869218	TPSA	96.9
74440	Isotope_Atom_Count	0
138979	Hydrogen_Bond_Donor_Count	0
52940883	Exact_Mass	355.11323305
2578	Structure_Complexity	156
34328	Undefined_Atom_Stereo_Count	0
66412	TPSA	21.6
54084075	Hydrogen_Bond_Acceptor_Count	7
3653077	Structure_Complexity	432
449462	Mono_Isotopic_Weight	179.07937252
69536	Defined_Bond_Stereo_Count	0
27290	XLogP3-AA	0.6
23362267	XLogP3-AA	0.3
13374320	Hydrogen_Bond_Donor_Count	1
5342002	Hydrogen_Bond_Donor_Count	0
3015009	Tautomer_Count	1
91370278	Covalent_Unit_Count	1
68846936	Total_Formal_Charge	0
59600546	XLogP3-AA	0.8
6824	Hydrogen_Bond_Donor_Count	1
20429663	Isotope_Atom_Count	0
5281877	Undefined_Bond_Stereo_Count	0
47535	Defined_Bond_Stereo_Count	0
69232870	Non-hydrogen_Atom_Count	8
12656387	XLogP3-AA	0
81766	XLogP3-AA	0.8
13268340	Mono_Isotopic_Weight	112.063662883
3284	Structure_Complexity	220
216992	Total_Formal_Charge	0
40479693	Hydrogen_Bond_Acceptor_Count	12
227430	Rotatable_Bond_Count	6
5281576	TPSA	83.8
157820065	Covalent_Unit_Count	1
46830291	Molecular_Weight	399.8
90658992	Mono_Isotopic_Weight	260.05352843
53839028	XLogP3-AA	1.3
197006	Undefined_Bond_Stereo_Count	0
446400	Structure_Complexity	604
70003	Undefined_Bond_Stereo_Count	0
2720	Molecular_Weight	295.7
627254	Undefined_Bond_Stereo_Count	0
49968	Defined_Atom_Stereo_Count	0
83050	Isotope_Atom_Count	0
6089	Hydrogen_Bond_Donor_Count	1
60150204	Covalent_Unit_Count	1
102538	Undefined_Atom_Stereo_Count	1
70686982	Rotatable_Bond_Count	6
110821	Hydrogen_Bond_Acceptor_Count	1
135438424	Non-hydrogen_Atom_Count	41
15438	Covalent_Unit_Count	1
26514	Defined_Atom_Stereo_Count	0
14502695	Covalent_Unit_Count	1
11266523	Hydrogen_Bond_Donor_Count	1
135564890	Defined_Bond_Stereo_Count	0
666673	Structure_Complexity	729
14218	Hydrogen_Bond_Acceptor_Count	4
9817381	Exact_Mass	287.20965841
642785	Exact_Mass	110.036779430
5741	TPSA	38.8
92703	Isotope_Atom_Count	0
821629	Undefined_Bond_Stereo_Count	0
1369	Structure_Complexity	439
52598	Defined_Atom_Stereo_Count	0
14523486	Exact_Mass	406.04159
22137869	Isotope_Atom_Count	0
57396950	Isotope_Atom_Count	0
15410449	Molecular_Weight	399.2
78075	Hydrogen_Bond_Acceptor_Count	7
415868	Undefined_Atom_Stereo_Count	2
1429	Mono_Isotopic_Weight	280.20384475
10161305	Rotatable_Bond_Count	8
31336	Non-hydrogen_Atom_Count	24
23335962	Isotope_Atom_Count	0
11870427	Molecular_Weight	334.37
13428	Exact_Mass	260.873189
71719928	TPSA	260
25014762	Molecular_Weight	446.5
72402	Undefined_Bond_Stereo_Count	0
37144	Undefined_Atom_Stereo_Count	0
15054176	TPSA	58.7
992	Molecular_Weight	266.3
11947765	Covalent_Unit_Count	1
14118154	Defined_Atom_Stereo_Count	0
85266	Defined_Atom_Stereo_Count	0
11717074	Isotope_Atom_Count	0
22015	Hydrogen_Bond_Donor_Count	0
135923480	Isotope_Atom_Count	0
68602320	Non-hydrogen_Atom_Count	8
71301229	Molecular_Weight	754.6
288862	TPSA	0
54679016	Mono_Isotopic_Weight	373.22530847
13379958	TPSA	17.1
6432903	Mono_Isotopic_Weight	204.115029749
129629392	Total_Formal_Charge	0
5326161	Total_Formal_Charge	0
597	Mono_Isotopic_Weight	111.043261792
40903	Structure_Complexity	763
5282227	Isotope_Atom_Count	0
44570629	Hydrogen_Bond_Acceptor_Count	9
67962	Defined_Atom_Stereo_Count	0
10092649	Undefined_Atom_Stereo_Count	0
28950993	Total_Formal_Charge	0
54584258	Undefined_Bond_Stereo_Count	0
9863303	Structure_Complexity	546
248934	Isotope_Atom_Count	0
12599701	Undefined_Bond_Stereo_Count	0
118665446	Mono_Isotopic_Weight	112.052429494
11632510	Hydrogen_Bond_Acceptor_Count	5
44571150	Non-hydrogen_Atom_Count	31
24949245	XLogP3-AA	3.8
6271	TPSA	37.3
472202	Rotatable_Bond_Count	2
93052	Hydrogen_Bond_Donor_Count	0
10931233	Hydrogen_Bond_Acceptor_Count	27
78165	Defined_Atom_Stereo_Count	0
18757800	Structure_Complexity	126
85605344	Covalent_Unit_Count	1
8911	Total_Formal_Charge	0
11006	Defined_Bond_Stereo_Count	0
443366	Undefined_Atom_Stereo_Count	1
10582477	Covalent_Unit_Count	1
11643926	Covalent_Unit_Count	1
6918146	Defined_Bond_Stereo_Count	0
70580528	Structure_Complexity	773
381117	TPSA	112
21706	Isotope_Atom_Count	0
345088	Undefined_Atom_Stereo_Count	0
16760577	Rotatable_Bond_Count	6
182645	Tautomer_Count	1
91543	Covalent_Unit_Count	1
57992030	Undefined_Atom_Stereo_Count	0
97860	Structure_Complexity	322
59964826	Defined_Atom_Stereo_Count	0
5280604	Defined_Bond_Stereo_Count	10
72734332	Covalent_Unit_Count	1
19082215	XLogP3-AA	3.3
3538	Structure_Complexity	482
69401251	Total_Formal_Charge	0
76441	Undefined_Bond_Stereo_Count	0
76152	Undefined_Bond_Stereo_Count	0
28213	Rotatable_Bond_Count	7
11637	Tautomer_Count	1
6443795	TPSA	230
9596	Covalent_Unit_Count	1
20435525	Hydrogen_Bond_Donor_Count	0
667450	Exact_Mass	246.125594432
132420	Hydrogen_Bond_Donor_Count	2
83735	Covalent_Unit_Count	1
129834519	Undefined_Atom_Stereo_Count	5
104610	Rotatable_Bond_Count	3
59508	Non-hydrogen_Atom_Count	28
18475804	Rotatable_Bond_Count	2
140934984	Rotatable_Bond_Count	0
3936	Tautomer_Count	1
5417	Hydrogen_Bond_Donor_Count	0
13598997	Undefined_Atom_Stereo_Count	0
429819	TPSA	66.4
639662	Structure_Complexity	44
18598488	Covalent_Unit_Count	1
3239844	Covalent_Unit_Count	1
19606817	Exact_Mass	96.057514874
134008	Hydrogen_Bond_Acceptor_Count	6
3084667	Tautomer_Count	1
283654	Structure_Complexity	496
5702236	Defined_Atom_Stereo_Count	0
40652	Covalent_Unit_Count	1
83656	Molecular_Weight	310.5
43984	Non-hydrogen_Atom_Count	27
719	Undefined_Atom_Stereo_Count	4
123642	Tautomer_Count	1
11979961	Non-hydrogen_Atom_Count	148
15567019	Isotope_Atom_Count	0
12642	Non-hydrogen_Atom_Count	6
71463602	XLogP3	1
3777	Covalent_Unit_Count	1
4591	Hydrogen_Bond_Donor_Count	5
523251	Undefined_Atom_Stereo_Count	0
13570060	Hydrogen_Bond_Donor_Count	0
44119431	Covalent_Unit_Count	1
5284513	Mono_Isotopic_Weight	326.18819469
93898	Rotatable_Bond_Count	0
53724680	Defined_Bond_Stereo_Count	0
14225651	TPSA	17.1
20137	Structure_Complexity	72.1
1379	TPSA	55.8
3355	Isotope_Atom_Count	0
153241	Non-hydrogen_Atom_Count	33
8794	Structure_Complexity	114
7059596	Undefined_Atom_Stereo_Count	0
12742	Hydrogen_Bond_Donor_Count	0
2579	Total_Formal_Charge	0
165491	Exact_Mass	665.10096317
89292361	Molecular_Weight	100.16
222465	Undefined_Atom_Stereo_Count	0
87934	Hydrogen_Bond_Donor_Count	0
36978	Structure_Complexity	340
54215673	Defined_Bond_Stereo_Count	0
9951932	Total_Formal_Charge	0
70926	Hydrogen_Bond_Donor_Count	2
68880	Rotatable_Bond_Count	7
9934032	Defined_Atom_Stereo_Count	0
134692135	Isotope_Atom_Count	0
120096	Isotope_Atom_Count	0
2724259	Structure_Complexity	999
3777	Undefined_Bond_Stereo_Count	1
595317	Covalent_Unit_Count	1
9938420	Mono_Isotopic_Weight	590.23497872
9856149	Molecular_Weight	238.37
5014	Hydrogen_Bond_Acceptor_Count	1
12596780	Exact_Mass	78.010564683
101978361	Undefined_Bond_Stereo_Count	0
49866945	Defined_Bond_Stereo_Count	0
12604	Non-hydrogen_Atom_Count	26
11137	Hydrogen_Bond_Acceptor_Count	3
22218878	Exact_Mass	83.037113783
24639	Total_Formal_Charge	0
16212360	Total_Formal_Charge	0
66624059	Covalent_Unit_Count	1
13363033	Defined_Bond_Stereo_Count	0
2691	Mono_Isotopic_Weight	499.21793167
122005	Isotope_Atom_Count	0
21492268	Defined_Atom_Stereo_Count	0
3720856	Mono_Isotopic_Weight	202.04639011
44595707	Covalent_Unit_Count	1
123831	Defined_Atom_Stereo_Count	1
320263	Defined_Atom_Stereo_Count	0
5859	Structure_Complexity	418
32485	Non-hydrogen_Atom_Count	10
71829	Undefined_Atom_Stereo_Count	0
584807	TPSA	47.6
3015262	Exact_Mass	116.083729621
59072033	Undefined_Atom_Stereo_Count	1
5273472	Total_Formal_Charge	0
87532	Undefined_Atom_Stereo_Count	0
128423	Mono_Isotopic_Weight	144.06088618
610072	XLogP3-AA	4
446308	Covalent_Unit_Count	1
1674	XLogP3	6.4
14923	Rotatable_Bond_Count	0
82740	Isotope_Atom_Count	0
165495	Undefined_Bond_Stereo_Count	0
199614	Structure_Complexity	387
8439	Exact_Mass	162.068079557
71734	Undefined_Bond_Stereo_Count	0
75786	Rotatable_Bond_Count	4
70390	XLogP3-AA	3.9
57258462	Total_Formal_Charge	0
719625	TPSA	37.3
87810	Total_Formal_Charge	0
1390	Defined_Atom_Stereo_Count	0
598777	XLogP3-AA	1.5
16498	Isotope_Atom_Count	0
4293071	Defined_Bond_Stereo_Count	0
2565	Molecular_Weight	477.6
430245	TPSA	61.7
2734411	Exact_Mass	787.03934194
10004622	XLogP3-AA	5.9
427786	Exact_Mass	258.136827821
12358851	Defined_Atom_Stereo_Count	3
25915	Exact_Mass	122.084398327
3050410	Exact_Mass	305.1870048
15004699	Defined_Atom_Stereo_Count	0
156599239	Total_Formal_Charge	0
448167	Non-hydrogen_Atom_Count	23
447835	Isotope_Atom_Count	0
12547675	TPSA	26
523251	Defined_Atom_Stereo_Count	0
2735107	Defined_Atom_Stereo_Count	0
325	Undefined_Bond_Stereo_Count	0
2604	Hydrogen_Bond_Acceptor_Count	4
5354133	Undefined_Bond_Stereo_Count	0
16033	Defined_Bond_Stereo_Count	0
5293	Defined_Atom_Stereo_Count	0
45256294	Molecular_Weight	402.4
10046404	XLogP3-AA	5.2
9798098	Rotatable_Bond_Count	7
1524	XLogP3-AA	1.3
5466139	Undefined_Atom_Stereo_Count	0
91820142	Hydrogen_Bond_Acceptor_Count	13
2157	Defined_Atom_Stereo_Count	0
19784171	TPSA	29.1
31013	Non-hydrogen_Atom_Count	16
34956	Total_Formal_Charge	0
71306	TPSA	401
16050550	XLogP3-AA	3.2
89077	Rotatable_Bond_Count	4
21379	Undefined_Bond_Stereo_Count	0
2898	Total_Formal_Charge	0
5770	Hydrogen_Bond_Donor_Count	1
11976122	Total_Formal_Charge	0
6917941	Hydrogen_Bond_Acceptor_Count	3
8557	Defined_Atom_Stereo_Count	0
13379	Total_Formal_Charge	0
70403801	Mono_Isotopic_Weight	228.05686342
24087	Hydrogen_Bond_Acceptor_Count	2
30143	Mono_Isotopic_Weight	250.00847
131430882	Defined_Bond_Stereo_Count	0
44475990	Covalent_Unit_Count	1
5518	Structure_Complexity	380
71640	Total_Formal_Charge	0
11590255	Rotatable_Bond_Count	7
37251	Hydrogen_Bond_Donor_Count	0
282518	Undefined_Bond_Stereo_Count	0
5321765	Exact_Mass	338.15180918
662	Total_Formal_Charge	0
6637	Covalent_Unit_Count	1
45830	Total_Formal_Charge	0
67247971	TPSA	75.3
10377	Exact_Mass	180.115029749
147614	Hydrogen_Bond_Acceptor_Count	3
101191397	Undefined_Atom_Stereo_Count	1
3082555	Tautomer_Count	6
28107	Total_Formal_Charge	0
12347118	Molecular_Weight	116.16
24458	Rotatable_Bond_Count	0
443111	Total_Formal_Charge	0
158758	Total_Formal_Charge	0
126961335	Defined_Atom_Stereo_Count	1
98365	Defined_Bond_Stereo_Count	0
76152	Defined_Atom_Stereo_Count	0
70652	Structure_Complexity	188
11477651	Isotope_Atom_Count	0
9803119	Structure_Complexity	652
7786	Isotope_Atom_Count	0
63011	Rotatable_Bond_Count	5
135410916	Hydrogen_Bond_Donor_Count	1
21895922	TPSA	0
5460348	Covalent_Unit_Count	1
20350152	Isotope_Atom_Count	0
123239	Isotope_Atom_Count	0
6235	TPSA	43.2
36084	Hydrogen_Bond_Donor_Count	2
45266545	Exact_Mass	862.09212908
15703	Undefined_Bond_Stereo_Count	0
139586083	Non-hydrogen_Atom_Count	77
20711973	Exact_Mass	105.057849228
5284534	Defined_Atom_Stereo_Count	17
22125	Defined_Atom_Stereo_Count	0
26928	Defined_Bond_Stereo_Count	0
87098264	Exact_Mass	189.94322646
11372	Rotatable_Bond_Count	0
92753	Undefined_Bond_Stereo_Count	0
6440178	XLogP3-AA	2
7130	Defined_Atom_Stereo_Count	0
33845	Defined_Bond_Stereo_Count	0
3083542	Molecular_Weight	400.5
69536	Rotatable_Bond_Count	5
9883259	Tautomer_Count	5
131704232	Undefined_Atom_Stereo_Count	1
114809	Mono_Isotopic_Weight	205.85370
135413528	Hydrogen_Bond_Donor_Count	1
20652538	Structure_Complexity	97.5
13019068	Defined_Atom_Stereo_Count	3
163090690	Hydrogen_Bond_Donor_Count	4
67938	Rotatable_Bond_Count	0
79013	Hydrogen_Bond_Acceptor_Count	2
9548637	Molecular_Weight	406.5
9794218	Total_Formal_Charge	0
21325329	Covalent_Unit_Count	1
9961	Molecular_Weight	124.09
71808	Rotatable_Bond_Count	1
456199	Rotatable_Bond_Count	4
10902277	Undefined_Bond_Stereo_Count	0
86252	Exact_Mass	294.1247389
58095461	Non-hydrogen_Atom_Count	7
122214397	Undefined_Atom_Stereo_Count	0
14018	Covalent_Unit_Count	1
21484	Molecular_Weight	217.57
9910975	Exact_Mass	436.9977429
8310	Hydrogen_Bond_Acceptor_Count	6
130664213	Total_Formal_Charge	0
35459	Hydrogen_Bond_Acceptor_Count	2
945090	Rotatable_Bond_Count	4
23427989	Structure_Complexity	1870
5371002	Isotope_Atom_Count	0
541506	Total_Formal_Charge	0
57474	Defined_Bond_Stereo_Count	0
96583	TPSA	73
109014	Defined_Atom_Stereo_Count	0
39836	Rotatable_Bond_Count	7
4278	Total_Formal_Charge	0
1548968	Hydrogen_Bond_Donor_Count	1
5281877	Undefined_Atom_Stereo_Count	0
31227	Structure_Complexity	114
594558	Hydrogen_Bond_Donor_Count	2
10176670	XLogP3-AA	2.2
11077530	Structure_Complexity	379
151011	Covalent_Unit_Count	1
42993	Covalent_Unit_Count	1
3825	Hydrogen_Bond_Donor_Count	1
7095	XLogP3	4
237546	Defined_Bond_Stereo_Count	0
4428	Hydrogen_Bond_Acceptor_Count	5
24807494	Non-hydrogen_Atom_Count	8
146675212	Structure_Complexity	2510
87821824	Exact_Mass	118.062994177
202225	Hydrogen_Bond_Donor_Count	0
23049714	Mono_Isotopic_Weight	165.02483502
135398593	Exact_Mass	252.08585488
75989941	Undefined_Atom_Stereo_Count	2
12578534	Defined_Bond_Stereo_Count	0
62118	Undefined_Atom_Stereo_Count	0
61101	Tautomer_Count	1
92829	Defined_Atom_Stereo_Count	1
16050932	XLogP3-AA	3.1
71215	Non-hydrogen_Atom_Count	25
3038505	Non-hydrogen_Atom_Count	39
45073462	Mono_Isotopic_Weight	448.1109187
138527	Exact_Mass	278.18819469
21907926	Rotatable_Bond_Count	0
11111	Exact_Mass	307.06267708
5459211	Undefined_Bond_Stereo_Count	0
4659570	Total_Formal_Charge	1
178145	Non-hydrogen_Atom_Count	26
137644	Total_Formal_Charge	0
5289388	Isotope_Atom_Count	0
53873	Hydrogen_Bond_Acceptor_Count	2
20326	Rotatable_Bond_Count	6
11306073	Undefined_Atom_Stereo_Count	0
98181815	TPSA	57.2
26191	Molecular_Weight	278.78
59834563	Mono_Isotopic_Weight	372.16985928
134693234	Hydrogen_Bond_Donor_Count	1
161765303	Defined_Bond_Stereo_Count	0
74523	Molecular_Weight	172.27
70700401	Rotatable_Bond_Count	3
24838310	Hydrogen_Bond_Donor_Count	3
19876500	Hydrogen_Bond_Donor_Count	0
752860	Structure_Complexity	391
54726514	Molecular_Weight	634.6
102358067	Defined_Atom_Stereo_Count	0
9980241	Isotope_Atom_Count	0
441558	Structure_Complexity	147
23158380	Defined_Atom_Stereo_Count	0
6234	Hydrogen_Bond_Acceptor_Count	3
5783	Non-hydrogen_Atom_Count	12
8682	TPSA	93.8
15239355	TPSA	46.2
62753	Non-hydrogen_Atom_Count	31
6055792	Structure_Complexity	452
151175776	Total_Formal_Charge	0
91438571	Mono_Isotopic_Weight	105.057849228
54692950	Tautomer_Count	1000
12811926	Covalent_Unit_Count	1
10263	Mono_Isotopic_Weight	134.109550447
18615953	Mono_Isotopic_Weight	116.058577502
85989631	Non-hydrogen_Atom_Count	7
13019	Defined_Atom_Stereo_Count	0
175988	Total_Formal_Charge	0
147614	XLogP3-AA	1.9
5312108	Mono_Isotopic_Weight	821.075439
22162	Undefined_Atom_Stereo_Count	1
68260574	Undefined_Bond_Stereo_Count	0
73238	Defined_Bond_Stereo_Count	0
79059	Defined_Atom_Stereo_Count	0
25126798	Molecular_Weight	306.4
86443	Undefined_Bond_Stereo_Count	0
25244520	Undefined_Atom_Stereo_Count	0
9799518	Hydrogen_Bond_Acceptor_Count	3
413536	Structure_Complexity	281
51763	Undefined_Bond_Stereo_Count	0
123147402	Undefined_Atom_Stereo_Count	2
82418997	Non-hydrogen_Atom_Count	8
49858377	Rotatable_Bond_Count	3
6716	Structure_Complexity	362
14231	Non-hydrogen_Atom_Count	10
22065216	Molecular_Weight	83.05
13820629	Non-hydrogen_Atom_Count	8
86836	Molecular_Weight	217.22
49864603	Rotatable_Bond_Count	6
172717	Undefined_Bond_Stereo_Count	0
56955282	Isotope_Atom_Count	0
90993	Tautomer_Count	6
39176	Exact_Mass	114.104465066
7417	Covalent_Unit_Count	1
134688573	Molecular_Weight	496.6
19675	Non-hydrogen_Atom_Count	29
165339	Structure_Complexity	86.6
79798	Non-hydrogen_Atom_Count	16
59107469	Molecular_Weight	113.20
167842	Defined_Bond_Stereo_Count	0
21625926	Undefined_Atom_Stereo_Count	0
16218742	Total_Formal_Charge	0
101401747	Rotatable_Bond_Count	3
45277565	Defined_Bond_Stereo_Count	0
68858	Exact_Mass	277.146664230
19974934	Hydrogen_Bond_Donor_Count	0
59664	Molecular_Weight	354.14
391139	Undefined_Bond_Stereo_Count	0
42040	Total_Formal_Charge	0
12695795	Defined_Atom_Stereo_Count	0
73154880	Defined_Bond_Stereo_Count	0
57869404	Non-hydrogen_Atom_Count	8
16211288	Tautomer_Count	2
124249128	Hydrogen_Bond_Donor_Count	1
12694	Mono_Isotopic_Weight	126.9591691
13844112	Undefined_Atom_Stereo_Count	0
6161	Undefined_Atom_Stereo_Count	0
15325	XLogP3	2
119171	Defined_Atom_Stereo_Count	0
167451	Mono_Isotopic_Weight	383.1167324
5395	Mono_Isotopic_Weight	173.141578849
57465453	Isotope_Atom_Count	0
89415004	Exact_Mass	116.083729621
4722	Defined_Bond_Stereo_Count	0
12476101	XLogP3-AA	2.7
135911835	Hydrogen_Bond_Donor_Count	1
158553	TPSA	333
11281445	Hydrogen_Bond_Donor_Count	4
101882533	XLogP3-AA	2.7
6585	Non-hydrogen_Atom_Count	5
54455096	Hydrogen_Bond_Donor_Count	0
447545	XLogP3-AA	2
91612	Covalent_Unit_Count	1
123909	Undefined_Atom_Stereo_Count	1
1551553	Hydrogen_Bond_Acceptor_Count	4
15926139	Non-hydrogen_Atom_Count	11
1241301	Total_Formal_Charge	0
9250	Hydrogen_Bond_Acceptor_Count	0
12088	Isotope_Atom_Count	0
59768	TPSA	67.8
85610	Rotatable_Bond_Count	1
10510831	TPSA	27
43312181	Rotatable_Bond_Count	2
65067	Hydrogen_Bond_Acceptor_Count	3
69333790	Undefined_Atom_Stereo_Count	0
34574	Undefined_Atom_Stereo_Count	0
121290492	Hydrogen_Bond_Donor_Count	8
45479278	Rotatable_Bond_Count	33
8749	XLogP3	1.8
634	Total_Formal_Charge	0
34481	Non-hydrogen_Atom_Count	22
73707	Isotope_Atom_Count	0
83295	Structure_Complexity	375
24321	Hydrogen_Bond_Acceptor_Count	1
2462	Undefined_Atom_Stereo_Count	9
39131	Mono_Isotopic_Weight	218.141913202
3032915	Exact_Mass	212.10956770
73278	Hydrogen_Bond_Acceptor_Count	3
15976	Total_Formal_Charge	0
91270	Hydrogen_Bond_Acceptor_Count	8
8304	Undefined_Atom_Stereo_Count	0
91474	Hydrogen_Bond_Donor_Count	1
11219835	Undefined_Atom_Stereo_Count	0
10149311	Total_Formal_Charge	0
45791180	Non-hydrogen_Atom_Count	7
74319	Molecular_Weight	197.23
53956290	TPSA	117
11463807	XLogP3-AA	3.6
63346	Defined_Bond_Stereo_Count	0
885569	Mono_Isotopic_Weight	264.982797
9886249	Molecular_Weight	382.4
146158974	Exact_Mass	402.1710204
92154	Non-hydrogen_Atom_Count	14
31013	Total_Formal_Charge	0
5514	Total_Formal_Charge	0
53456	Covalent_Unit_Count	1
53920622	Mono_Isotopic_Weight	99.032028402
57190391	Isotope_Atom_Count	7
6321422	Structure_Complexity	643
4285	TPSA	43.7
74823	Structure_Complexity	241
22726089	Defined_Atom_Stereo_Count	0
18726560	Defined_Atom_Stereo_Count	0
731207	Structure_Complexity	376
8038	Hydrogen_Bond_Acceptor_Count	2
71459116	Total_Formal_Charge	0
135566455	Hydrogen_Bond_Donor_Count	5
58544	Isotope_Atom_Count	0
61585	Molecular_Weight	244.37
641245	Undefined_Atom_Stereo_Count	0
19040543	Mono_Isotopic_Weight	89.084063974
18218196	Hydrogen_Bond_Acceptor_Count	6
66587064	Structure_Complexity	746
66249	Non-hydrogen_Atom_Count	39
2773621	Covalent_Unit_Count	1
1473879	Exact_Mass	252.03171130
53630039	Hydrogen_Bond_Donor_Count	0
67465	Undefined_Bond_Stereo_Count	0
6537201	Isotope_Atom_Count	0
93128	Defined_Atom_Stereo_Count	0
22571	Molecular_Weight	361.5
24131	Mono_Isotopic_Weight	304.03315060
61530	Undefined_Atom_Stereo_Count	6
543855	Hydrogen_Bond_Donor_Count	1
5242388	XLogP3-AA	1.8
163276613	Isotope_Atom_Count	0
71583271	Undefined_Bond_Stereo_Count	0
16308	Rotatable_Bond_Count	1
9413	Isotope_Atom_Count	0
701718	Hydrogen_Bond_Acceptor_Count	5
7656	Undefined_Bond_Stereo_Count	0
58801077	Undefined_Bond_Stereo_Count	0
58645437	Isotope_Atom_Count	0
70713	Molecular_Weight	85.10
8868	Tautomer_Count	5
40467085	Mono_Isotopic_Weight	489.06509963
31237	Defined_Atom_Stereo_Count	0
53340666	Defined_Atom_Stereo_Count	0
24849168	Mono_Isotopic_Weight	316.14230712
23447037	TPSA	145
13297	Hydrogen_Bond_Donor_Count	1
4155932	Defined_Bond_Stereo_Count	0
123133951	Covalent_Unit_Count	1
16329	Tautomer_Count	1
23677832	Tautomer_Count	1
135516356	Isotope_Atom_Count	0
9875516	Defined_Atom_Stereo_Count	7
13027933	Undefined_Bond_Stereo_Count	0
135121698	Structure_Complexity	258
136892	Defined_Atom_Stereo_Count	0
132998	Non-hydrogen_Atom_Count	30
543882	Hydrogen_Bond_Acceptor_Count	1
544596	Rotatable_Bond_Count	3
34794	TPSA	25.8
10349	Hydrogen_Bond_Donor_Count	2
1714329	Rotatable_Bond_Count	0
7111	Isotope_Atom_Count	0
69100	Hydrogen_Bond_Acceptor_Count	2
193702	XLogP3	6.5
56634286	Non-hydrogen_Atom_Count	8
23009	TPSA	76.1
53859	Structure_Complexity	416
62706	Hydrogen_Bond_Donor_Count	0
16084	Defined_Atom_Stereo_Count	0
85104	TPSA	34.1
23688957	Hydrogen_Bond_Donor_Count	1
10258659	Rotatable_Bond_Count	7
9886	Molecular_Weight	144.9641810
7408	Structure_Complexity	74.6
4622	XLogP3	2.4
31772	Defined_Bond_Stereo_Count	0
3171	Mono_Isotopic_Weight	213.06372245
52005	Exact_Mass	340.98519
53869568	Mono_Isotopic_Weight	111.068413911
10715582	Molecular_Weight	393.4
10291131	Exact_Mass	343.11956635
229932	Undefined_Atom_Stereo_Count	0
70333	Molecular_Weight	170.25
71583051	Non-hydrogen_Atom_Count	31
3327	Undefined_Atom_Stereo_Count	0
2733526	Molecular_Weight	371.5
5289501	XLogP3-AA	7.5
32924	Molecular_Weight	196.25
373077	Hydrogen_Bond_Acceptor_Count	2
22339897	Undefined_Bond_Stereo_Count	0
8168	Molecular_Weight	213.40
8467	Undefined_Atom_Stereo_Count	0
8449	Covalent_Unit_Count	1
9543220	Hydrogen_Bond_Donor_Count	2
6563	Rotatable_Bond_Count	1
222073	Molecular_Weight	134.56
10265934	Molecular_Weight	140.23
25244582	Hydrogen_Bond_Donor_Count	5
10661	Rotatable_Bond_Count	0
11949652	Isotope_Atom_Count	0
232651	Hydrogen_Bond_Donor_Count	1
25132953	Rotatable_Bond_Count	4
11137239	Covalent_Unit_Count	1
54453800	TPSA	54.5
114869	Hydrogen_Bond_Acceptor_Count	4
55285775	Rotatable_Bond_Count	1
6613	Rotatable_Bond_Count	6
78972	Defined_Bond_Stereo_Count	0
54368808	Exact_Mass	109.052763847
19868281	Structure_Complexity	103
25273237	Hydrogen_Bond_Donor_Count	2
92386	Undefined_Atom_Stereo_Count	0
21650900	Hydrogen_Bond_Donor_Count	0
15538	Total_Formal_Charge	0
7212	Total_Formal_Charge	0
11566378	Structure_Complexity	493
91061	Total_Formal_Charge	0
4525487	Mono_Isotopic_Weight	146.04533274
14309	Exact_Mass	341.010163
105427064	Defined_Atom_Stereo_Count	0
14982	Covalent_Unit_Count	1
6767	Mono_Isotopic_Weight	350.15180918
90352849	Defined_Atom_Stereo_Count	0
6992284	TPSA	31.8
34474	Hydrogen_Bond_Donor_Count	0
11294	Structure_Complexity	516
971023	Rotatable_Bond_Count	6
2417	Defined_Atom_Stereo_Count	0
11725479	Defined_Atom_Stereo_Count	0
376	Covalent_Unit_Count	1
14989	Mono_Isotopic_Weight	418.12638228
131704328	Non-hydrogen_Atom_Count	26
24385	Defined_Atom_Stereo_Count	0
16212950	Defined_Bond_Stereo_Count	0
71340855	Undefined_Atom_Stereo_Count	0
11007867	Rotatable_Bond_Count	0
129800133	Hydrogen_Bond_Donor_Count	0
9549180	Covalent_Unit_Count	1
62452	Undefined_Bond_Stereo_Count	0
4199	Covalent_Unit_Count	1
76040	Rotatable_Bond_Count	0
73608879	Mono_Isotopic_Weight	120.90381
116225458	Defined_Atom_Stereo_Count	0
133611945	Defined_Bond_Stereo_Count	1
8986	XLogP3-AA	3.3
16212969	Defined_Bond_Stereo_Count	2
6371716	Defined_Atom_Stereo_Count	0
907991	Rotatable_Bond_Count	5
129800133	Defined_Bond_Stereo_Count	0
3246155	Non-hydrogen_Atom_Count	28
5354280	Defined_Bond_Stereo_Count	1
42948	Rotatable_Bond_Count	1
718449	Defined_Atom_Stereo_Count	1
11543	Undefined_Bond_Stereo_Count	0
66330	XLogP3	3
866400	Covalent_Unit_Count	1
8739	Mono_Isotopic_Weight	201.00957888
453307	XLogP3-AA	1.6
65963	Defined_Bond_Stereo_Count	0
16229	Non-hydrogen_Atom_Count	28
9107	XLogP3-AA	5.6
76223445	Hydrogen_Bond_Donor_Count	1
16211113	Rotatable_Bond_Count	3
5281727	Non-hydrogen_Atom_Count	19
54283855	Defined_Bond_Stereo_Count	0
77662	Isotope_Atom_Count	0
57394836	Covalent_Unit_Count	1
112042	TPSA	35.5
8060	Non-hydrogen_Atom_Count	6
139202065	Exact_Mass	714.14991168
71362816	Undefined_Atom_Stereo_Count	1
4659	Covalent_Unit_Count	5
5281650	Undefined_Atom_Stereo_Count	0
14897272	Exact_Mass	102.079312947
19348604	Total_Formal_Charge	0
44565798	Undefined_Bond_Stereo_Count	0
16220111	Total_Formal_Charge	0
65819	Rotatable_Bond_Count	2
7020642	Mono_Isotopic_Weight	262.13174244
15990796	Isotope_Atom_Count	0
70695616	TPSA	3080
101417707	Molecular_Weight	262.4
11524	TPSA	20.2
197341	Rotatable_Bond_Count	5
93193	Defined_Bond_Stereo_Count	0
75430	Rotatable_Bond_Count	3
14297259	Molecular_Weight	96.17
24682	Undefined_Bond_Stereo_Count	0
162236685	Mono_Isotopic_Weight	13.06234
18442594	Hydrogen_Bond_Acceptor_Count	3
249778	Rotatable_Bond_Count	0
11940	Defined_Bond_Stereo_Count	0
11593	Undefined_Atom_Stereo_Count	0
698364	Hydrogen_Bond_Donor_Count	2
40466887	Structure_Complexity	614
99378	TPSA	29.5
17930361	Covalent_Unit_Count	1
122308	Defined_Atom_Stereo_Count	0
1234	Exact_Mass	484.29372238
44630107	Undefined_Atom_Stereo_Count	1
17852300	Hydrogen_Bond_Acceptor_Count	2
60196431	Exact_Mass	360.1259001
163646941	Isotope_Atom_Count	0
11815316	Exact_Mass	112.063662883
12786810	Total_Formal_Charge	0
11345	Defined_Bond_Stereo_Count	0
14578458	Non-hydrogen_Atom_Count	7
2734040	Non-hydrogen_Atom_Count	15
23729878	TPSA	72.6
12692921	Isotope_Atom_Count	0
115366	Mono_Isotopic_Weight	419.0264073
522105	Hydrogen_Bond_Acceptor_Count	1
11065	Hydrogen_Bond_Donor_Count	1
543879	XLogP3-AA	1.4
12193680	Covalent_Unit_Count	1
71270	Molecular_Weight	335.4
9812772	Rotatable_Bond_Count	2
70346812	Defined_Bond_Stereo_Count	0
11346	Hydrogen_Bond_Acceptor_Count	3
44451124	Isotope_Atom_Count	0
534055	Total_Formal_Charge	0
1505	Covalent_Unit_Count	1
44462985	Hydrogen_Bond_Donor_Count	0
574613	Molecular_Weight	113.09
12449	Exact_Mass	482.22392874
112029	Isotope_Atom_Count	0
71771	Non-hydrogen_Atom_Count	23
58860	Isotope_Atom_Count	0
15118	Rotatable_Bond_Count	0
120738	TPSA	29.5
23644194	Undefined_Bond_Stereo_Count	0
10612	Defined_Atom_Stereo_Count	0
54598431	Isotope_Atom_Count	0
154522874	XLogP3-AA	0.4
86100	Defined_Bond_Stereo_Count	0
17954	Mono_Isotopic_Weight	285.13649347
11105655	Hydrogen_Bond_Acceptor_Count	2
169109	Defined_Atom_Stereo_Count	0
9963057	Tautomer_Count	3
13661	Total_Formal_Charge	0
620984	Structure_Complexity	252
9571009	Total_Formal_Charge	0
57459753	Structure_Complexity	115
40411	Exact_Mass	242.09027155
442113	Undefined_Atom_Stereo_Count	0
15932798	Isotope_Atom_Count	0
162344865	Mono_Isotopic_Weight	532.21105539
60154331	Molecular_Weight	360.21
87645235	Total_Formal_Charge	0
1153439	Structure_Complexity	703
565424	Non-hydrogen_Atom_Count	10
11396	Non-hydrogen_Atom_Count	12
56677275	Isotope_Atom_Count	0
22274879	Exact_Mass	112.03851076
9897412	Molecular_Weight	843.1
2776282	TPSA	41.1
13860601	Molecular_Weight	114.19
6700	Structure_Complexity	783
5353646	TPSA	76.8
25203302	Covalent_Unit_Count	1
74362	XLogP3-AA	0.7
6347	Isotope_Atom_Count	0
751	TPSA	57.5
8545	Structure_Complexity	368
7017101	Undefined_Atom_Stereo_Count	0
23121765	Hydrogen_Bond_Acceptor_Count	1
408536	Structure_Complexity	500
71140	Exact_Mass	256.10341969
31201	Defined_Bond_Stereo_Count	0
24721540	Hydrogen_Bond_Acceptor_Count	18
6626	Structure_Complexity	302
59295974	TPSA	133
23698052	Covalent_Unit_Count	2
98047379	Defined_Atom_Stereo_Count	8
44392167	Hydrogen_Bond_Acceptor_Count	5
21613900	Molecular_Weight	111.10
21718305	Exact_Mass	113.084063974
1241301	Isotope_Atom_Count	0
153994	Non-hydrogen_Atom_Count	30
70916	Exact_Mass	226.12050905
60988	Defined_Bond_Stereo_Count	0
6957610	Molecular_Weight	294.4
93538	Isotope_Atom_Count	0
5497195	Defined_Atom_Stereo_Count	2
61347	Mono_Isotopic_Weight	124.100048391
305	Mono_Isotopic_Weight	104.107539070
5281167	Hydrogen_Bond_Acceptor_Count	1
15811016	Covalent_Unit_Count	3
141336344	Isotope_Atom_Count	0
158434	Undefined_Bond_Stereo_Count	0
103656	Hydrogen_Bond_Donor_Count	1
46937142	Tautomer_Count	1
139782102	Hydrogen_Bond_Donor_Count	1
16095274	Hydrogen_Bond_Acceptor_Count	3
7193	Molecular_Weight	192.25
130150414	Hydrogen_Bond_Acceptor_Count	4
23693089	Defined_Bond_Stereo_Count	0
6438149	Non-hydrogen_Atom_Count	26
45157716	Hydrogen_Bond_Acceptor_Count	8
44571098	Hydrogen_Bond_Acceptor_Count	8
6438135	Structure_Complexity	1280
78350	Total_Formal_Charge	0
4628	Structure_Complexity	446
88191	Undefined_Bond_Stereo_Count	0
411862	Isotope_Atom_Count	0
13708	Tautomer_Count	1
11569158	Exact_Mass	477.1567673
124809078	Defined_Bond_Stereo_Count	0
17819	Tautomer_Count	13
10090750	Exact_Mass	373.204179104
121246104	TPSA	26.3
398569	Mono_Isotopic_Weight	315.14705815
5062223	Defined_Atom_Stereo_Count	0
3033821	Defined_Atom_Stereo_Count	0
624748	Covalent_Unit_Count	1
25141092	Isotope_Atom_Count	0
22954661	Hydrogen_Bond_Acceptor_Count	2
47289	Undefined_Bond_Stereo_Count	0
5876	Total_Formal_Charge	0
7496	Non-hydrogen_Atom_Count	20
44318267	Covalent_Unit_Count	1
91438	Covalent_Unit_Count	1
56658438	Rotatable_Bond_Count	10
4195974	Rotatable_Bond_Count	2
64397633	XLogP3-AA	0.7
60196327	Isotope_Atom_Count	0
99132	Undefined_Bond_Stereo_Count	0
102171995	Structure_Complexity	385
18233	Isotope_Atom_Count	0
758105	Hydrogen_Bond_Donor_Count	2
97697	Tautomer_Count	1
135398501	Total_Formal_Charge	0
14682	TPSA	0
76172179	XLogP3-AA	3.1
11137094	Undefined_Atom_Stereo_Count	0
138611145	Non-hydrogen_Atom_Count	43
4347	Undefined_Atom_Stereo_Count	0
342570	Hydrogen_Bond_Donor_Count	1
11574638	Defined_Bond_Stereo_Count	0
6269	Hydrogen_Bond_Donor_Count	1
9893	XLogP3	0.6
21917899	Molecular_Weight	180.20
69462477	Isotope_Atom_Count	0
44455010	XLogP3-AA	2.5
71450703	XLogP3-AA	2.7
7059571	Molecular_Weight	328.20
71721420	Covalent_Unit_Count	1
517546	Defined_Bond_Stereo_Count	0
25116191	Structure_Complexity	507
91394869	Structure_Complexity	80.1
70693263	Undefined_Atom_Stereo_Count	0
56036	Hydrogen_Bond_Acceptor_Count	4
70687331	Isotope_Atom_Count	0
11347535	Hydrogen_Bond_Donor_Count	2
91259187	TPSA	0
55289386	Total_Formal_Charge	0
14385	Undefined_Atom_Stereo_Count	0
11163893	Defined_Atom_Stereo_Count	0
16760153	Defined_Bond_Stereo_Count	0
517121	Exact_Mass	218.9214405
9939892	Tautomer_Count	4
7341	Exact_Mass	116.083729621
148350	Undefined_Bond_Stereo_Count	0
136045807	Mono_Isotopic_Weight	501.16483347
1629	Hydrogen_Bond_Acceptor_Count	6
22049997	Defined_Atom_Stereo_Count	0
9806615	TPSA	205
5352133	Defined_Bond_Stereo_Count	0
71887	Undefined_Atom_Stereo_Count	0
5986	Non-hydrogen_Atom_Count	28
969014	Defined_Bond_Stereo_Count	0
73707513	Hydrogen_Bond_Acceptor_Count	10
636523	Total_Formal_Charge	0
67246787	Non-hydrogen_Atom_Count	29
10947574	Hydrogen_Bond_Donor_Count	3
1028	Hydrogen_Bond_Acceptor_Count	6
13351	Hydrogen_Bond_Acceptor_Count	4
79083	TPSA	40.5
196445	Exact_Mass	298.09872823
13620760	Covalent_Unit_Count	1
3337411	Exact_Mass	388.09921878
943	Rotatable_Bond_Count	0
23278031	Isotope_Atom_Count	0
257950	Undefined_Atom_Stereo_Count	0
15174590	Non-hydrogen_Atom_Count	8
18087	Non-hydrogen_Atom_Count	11
72076	Hydrogen_Bond_Acceptor_Count	4
53669425	Exact_Mass	259.06095954
67030919	Undefined_Bond_Stereo_Count	1
6420074	Total_Formal_Charge	0
26108	Covalent_Unit_Count	3
14865900	Non-hydrogen_Atom_Count	8
11147	Hydrogen_Bond_Donor_Count	0
9925908	Molecular_Weight	286.37
16051941	Hydrogen_Bond_Acceptor_Count	23
49869877	Hydrogen_Bond_Donor_Count	2
128605	Isotope_Atom_Count	0
154474669	Mono_Isotopic_Weight	99.068413911
444360	Defined_Atom_Stereo_Count	1
89314354	Covalent_Unit_Count	1
245	Undefined_Atom_Stereo_Count	10
89424182	Undefined_Atom_Stereo_Count	3
16217	Undefined_Bond_Stereo_Count	0
124514	Rotatable_Bond_Count	3
123413	Structure_Complexity	66.8
153997402	Hydrogen_Bond_Donor_Count	1
21093905	Molecular_Weight	378.9
103023	Non-hydrogen_Atom_Count	11
6604910	Hydrogen_Bond_Acceptor_Count	3
71360804	Structure_Complexity	272
38306	Covalent_Unit_Count	1
57780676	Defined_Bond_Stereo_Count	0
1793	Total_Formal_Charge	0
75341	XLogP3	2.2
2123	Isotope_Atom_Count	0
56593143	Molecular_Weight	400.5
45120308	Defined_Bond_Stereo_Count	0
61945	Exact_Mass	140.04081944
449015	Covalent_Unit_Count	1
13945	Rotatable_Bond_Count	4
129378	Structure_Complexity	205
12686	Undefined_Bond_Stereo_Count	0
6398969	TPSA	49.7
6427110	Covalent_Unit_Count	1
86256506	Exact_Mass	101.047678466
20871316	Exact_Mass	112.088815002
75534860	Exact_Mass	665.30474055
9331	Defined_Atom_Stereo_Count	0
5280483	Tautomer_Count	27
26136	Undefined_Bond_Stereo_Count	0
447213	Total_Formal_Charge	0
7875	Tautomer_Count	1
533840	XLogP3-AA	0.6
129734884	Undefined_Bond_Stereo_Count	0
12468302	Exact_Mass	97.052763847
71731823	Defined_Bond_Stereo_Count	0
27307547	Hydrogen_Bond_Donor_Count	0
3031	Rotatable_Bond_Count	0
66124	Rotatable_Bond_Count	3
59325	Non-hydrogen_Atom_Count	27
9799518	Structure_Complexity	554
141167	Non-hydrogen_Atom_Count	6
11750474	Defined_Bond_Stereo_Count	0
5352624	Rotatable_Bond_Count	4
580	Structure_Complexity	643
535532	Undefined_Bond_Stereo_Count	0
20266	Undefined_Bond_Stereo_Count	0
14591	Rotatable_Bond_Count	5
5249538	Exact_Mass	138.091889006
6921	Structure_Complexity	132
81668	Tautomer_Count	1
243	Hydrogen_Bond_Acceptor_Count	2
2582	Undefined_Atom_Stereo_Count	0
70690634	Undefined_Atom_Stereo_Count	0
559645	Non-hydrogen_Atom_Count	8
90375453	Molecular_Weight	100.12
6441283	Structure_Complexity	1410
9820034	Non-hydrogen_Atom_Count	26
23057	Total_Formal_Charge	0
5284631	Undefined_Bond_Stereo_Count	0
9970749	Exact_Mass	277.0188941
51762	Defined_Atom_Stereo_Count	0
4736391	Exact_Mass	98.048012819
91284889	Exact_Mass	113.084063974
16129685	Tautomer_Count	1000
23716436	Structure_Complexity	558
6477715	Hydrogen_Bond_Acceptor_Count	6
3531736	Hydrogen_Bond_Donor_Count	3
7401	Structure_Complexity	224
62010	Total_Formal_Charge	0
359137	Undefined_Atom_Stereo_Count	2
14409	TPSA	35.6
74231	Hydrogen_Bond_Donor_Count	0
5283853	TPSA	98
10267	Rotatable_Bond_Count	6
84605	Mono_Isotopic_Weight	196.0978555
6851740	Non-hydrogen_Atom_Count	37
401	Rotatable_Bond_Count	0
153254665	XLogP3-AA	1.4
14976739	Isotope_Atom_Count	0
440997	Molecular_Weight	259.15
142796	Covalent_Unit_Count	1
5284	Rotatable_Bond_Count	3
65822	Defined_Atom_Stereo_Count	0
16020006	Undefined_Bond_Stereo_Count	0
66414	Hydrogen_Bond_Donor_Count	2
14440271	Rotatable_Bond_Count	2
16058	Hydrogen_Bond_Donor_Count	0
18142	TPSA	35.5
78015	Structure_Complexity	95
20739	Undefined_Atom_Stereo_Count	0
65594	Undefined_Atom_Stereo_Count	1
17458	Mono_Isotopic_Weight	386.08175801
12933420	Mono_Isotopic_Weight	83.048347172
6829	Tautomer_Count	1
23665765	Covalent_Unit_Count	2
29927670	Isotope_Atom_Count	0
3081905	Non-hydrogen_Atom_Count	96
83091	Hydrogen_Bond_Donor_Count	0
231934	Total_Formal_Charge	0
40473404	Undefined_Atom_Stereo_Count	0
6323266	Hydrogen_Bond_Donor_Count	3
12669583	Undefined_Atom_Stereo_Count	1
24826	Covalent_Unit_Count	5
97127	Undefined_Atom_Stereo_Count	0
78249	Structure_Complexity	186
91763	Isotope_Atom_Count	0
57536767	Isotope_Atom_Count	0
7801	Total_Formal_Charge	0
18062	Molecular_Weight	194.27
101375997	Hydrogen_Bond_Donor_Count	13
46933	Hydrogen_Bond_Acceptor_Count	3
894	Defined_Bond_Stereo_Count	0
10698	Covalent_Unit_Count	1
20439427	Hydrogen_Bond_Donor_Count	1
57637187	Total_Formal_Charge	0
58242071	Undefined_Atom_Stereo_Count	2
143817762	Exact_Mass	107.073499291
55595	Exact_Mass	324.12090297
146395	Hydrogen_Bond_Donor_Count	3
443403	Non-hydrogen_Atom_Count	20
143723227	Defined_Bond_Stereo_Count	0
24020	Rotatable_Bond_Count	4
114523	Molecular_Weight	160.25
86488	Undefined_Bond_Stereo_Count	0
18656	Defined_Bond_Stereo_Count	0
132549482	Undefined_Bond_Stereo_Count	0
5388936	Hydrogen_Bond_Acceptor_Count	11
22310945	Undefined_Bond_Stereo_Count	0
21914607	Molecular_Weight	99.17
23629960	Mono_Isotopic_Weight	368.15968852
121098	TPSA	55.8
8661	Exact_Mass	566.11412077
3960	Total_Formal_Charge	0
46781343	Total_Formal_Charge	0
46587	Rotatable_Bond_Count	5
5460389	Undefined_Bond_Stereo_Count	0
50317	Rotatable_Bond_Count	2
66906036	Total_Formal_Charge	0
131954786	Molecular_Weight	3357.9
9116	Rotatable_Bond_Count	0
20669981	Exact_Mass	112.100048391
25474	Total_Formal_Charge	0
5353646	Mono_Isotopic_Weight	230.0126017
19810797	Undefined_Atom_Stereo_Count	1
8172	Exact_Mass	150.08920892
16620	Mono_Isotopic_Weight	109.089149355
45437	Non-hydrogen_Atom_Count	17
38307	Structure_Complexity	87.2
69173085	Non-hydrogen_Atom_Count	7
567118	TPSA	64.9
70487	Hydrogen_Bond_Donor_Count	4
12289998	Non-hydrogen_Atom_Count	8
22081030	Isotope_Atom_Count	0
443943	Rotatable_Bond_Count	2
447966	Tautomer_Count	5
73082918	Total_Formal_Charge	0
6918025	Isotope_Atom_Count	0
89310012	Undefined_Bond_Stereo_Count	0
4624	Molecular_Weight	169.18
57395973	Covalent_Unit_Count	1
11251	XLogP3	0.8
1516	Exact_Mass	272.96367
153305234	Undefined_Atom_Stereo_Count	4
21549213	Mono_Isotopic_Weight	102.068079557
35368	Total_Formal_Charge	0
30108	Molecular_Weight	233.26
16020938	Defined_Bond_Stereo_Count	0
5311412	Non-hydrogen_Atom_Count	27
62930	Total_Formal_Charge	0
5486998	TPSA	152
10288822	Undefined_Atom_Stereo_Count	0
135455579	Rotatable_Bond_Count	7
135802074	Mono_Isotopic_Weight	601.1656603
261501	Covalent_Unit_Count	2
54110642	Total_Formal_Charge	0
54006622	Defined_Atom_Stereo_Count	0
136784	Hydrogen_Bond_Acceptor_Count	3
580061	Structure_Complexity	87.1
2219	Undefined_Atom_Stereo_Count	3
84002	Structure_Complexity	335
7220	Defined_Atom_Stereo_Count	0
68094	Hydrogen_Bond_Acceptor_Count	3
16221343	Hydrogen_Bond_Acceptor_Count	10
65015	Non-hydrogen_Atom_Count	36
45358014	Total_Formal_Charge	0
13327309	Molecular_Weight	116.16
2106900	Total_Formal_Charge	0
443928	XLogP3	2.5
159157	Mono_Isotopic_Weight	208.04054465
9909392	TPSA	83.8
78031	Hydrogen_Bond_Donor_Count	1
144750	Total_Formal_Charge	0
178145	Undefined_Atom_Stereo_Count	1
54736486	Exact_Mass	310.12050905
44590447	Covalent_Unit_Count	1
14813	Non-hydrogen_Atom_Count	7
11513733	Covalent_Unit_Count	1
40100	TPSA	144
11017510	TPSA	36.9
58154	Rotatable_Bond_Count	4
92855	Covalent_Unit_Count	1
60196414	Undefined_Atom_Stereo_Count	2
53708136	Defined_Atom_Stereo_Count	0
16454	Exact_Mass	101.047678466
6971047	Total_Formal_Charge	0
56631355	Exact_Mass	116.083729621
6857536	Rotatable_Bond_Count	0
5289347	Mono_Isotopic_Weight	632.26332572
88211	Tautomer_Count	1
24833843	Rotatable_Bond_Count	15
6918788	Molecular_Weight	596.4
99069	Covalent_Unit_Count	1
129318280	Isotope_Atom_Count	0
10219396	Isotope_Atom_Count	0
73961	Tautomer_Count	1
12607503	Covalent_Unit_Count	1
53386	Covalent_Unit_Count	1
13567	Non-hydrogen_Atom_Count	8
67520	Structure_Complexity	37
108156	Structure_Complexity	546
137278711	Defined_Bond_Stereo_Count	0
60196284	Non-hydrogen_Atom_Count	31
5016	Rotatable_Bond_Count	3
26117	XLogP3	1.2
3083020	Rotatable_Bond_Count	0
13314	Defined_Atom_Stereo_Count	0
10028615	Exact_Mass	492.24243570
812042	Hydrogen_Bond_Acceptor_Count	2
393601	Defined_Bond_Stereo_Count	0
37907	Defined_Bond_Stereo_Count	0
10441661	Mono_Isotopic_Weight	108.068748264
9846875	Exact_Mass	456.19435995
20371324	Mono_Isotopic_Weight	116.058577502
79319	Hydrogen_Bond_Donor_Count	0
91245129	Undefined_Atom_Stereo_Count	0
55290041	Molecular_Weight	115.13
2165	Mono_Isotopic_Weight	355.1451400
23674746	Exact_Mass	555.03657441
7447	Hydrogen_Bond_Acceptor_Count	4
19938783	Defined_Bond_Stereo_Count	0
10285793	Molecular_Weight	128.09
545830	Undefined_Bond_Stereo_Count	0
37888405	Undefined_Bond_Stereo_Count	0
3889	Mono_Isotopic_Weight	520.10124741
764764	Hydrogen_Bond_Donor_Count	3
135900090	Exact_Mass	822.40512330
9855455	Hydrogen_Bond_Acceptor_Count	2
71587119	Hydrogen_Bond_Acceptor_Count	21
129888394	Mono_Isotopic_Weight	108.057514874
224392	Defined_Atom_Stereo_Count	0
11955855	Hydrogen_Bond_Acceptor_Count	6
59119	Non-hydrogen_Atom_Count	22
119097350	Exact_Mass	96.057514874
151	Exact_Mass	314.05151706
165615710	Exact_Mass	112.088815002
3685	XLogP3	1.9
5702541	Defined_Bond_Stereo_Count	1
105037	Molecular_Weight	153.18
49866901	Isotope_Atom_Count	0
23284	Total_Formal_Charge	0
125127451	Defined_Bond_Stereo_Count	5
11305985	Hydrogen_Bond_Donor_Count	0
5353761	TPSA	26.3
24949398	Hydrogen_Bond_Donor_Count	3
726050	Exact_Mass	271.10308534
126456023	Defined_Bond_Stereo_Count	2
543112	Isotope_Atom_Count	0
71587897	TPSA	124
42337	Hydrogen_Bond_Donor_Count	0
101938021	Defined_Bond_Stereo_Count	0
32427	Structure_Complexity	382
69017	Defined_Bond_Stereo_Count	0
52942108	Total_Formal_Charge	0
135438424	Exact_Mass	649.04104222
688145	Defined_Atom_Stereo_Count	0
9911830	Undefined_Bond_Stereo_Count	0
77662	Structure_Complexity	170
107770	Structure_Complexity	415
5280053	Isotope_Atom_Count	0
444215	Isotope_Atom_Count	0
8880	Undefined_Bond_Stereo_Count	0
12942137	Undefined_Bond_Stereo_Count	0
114644	Isotope_Atom_Count	0
5249080	Defined_Bond_Stereo_Count	0
18946	Defined_Atom_Stereo_Count	0
147895	Exact_Mass	849.35717005
20254	Hydrogen_Bond_Acceptor_Count	1
13765	Undefined_Atom_Stereo_Count	0
956	Hydrogen_Bond_Acceptor_Count	25
192275	Hydrogen_Bond_Acceptor_Count	5
11967617	Molecular_Weight	1104.99
71684552	Covalent_Unit_Count	1
134797	Non-hydrogen_Atom_Count	10
12732836	Rotatable_Bond_Count	1
7859	Structure_Complexity	38.5
53664307	Mono_Isotopic_Weight	102.079312947
57215030	Hydrogen_Bond_Acceptor_Count	1
67906	Non-hydrogen_Atom_Count	9
141010	Defined_Atom_Stereo_Count	0
441082	Isotope_Atom_Count	0
53946395	Defined_Atom_Stereo_Count	0
54378261	Total_Formal_Charge	0
9955951	Isotope_Atom_Count	0
4092621	Hydrogen_Bond_Acceptor_Count	3
88100859	Isotope_Atom_Count	0
53993017	Undefined_Bond_Stereo_Count	0
27868	Hydrogen_Bond_Acceptor_Count	2
5281609	Structure_Complexity	957
675901	Rotatable_Bond_Count	3
17806836	Covalent_Unit_Count	1
90818	Defined_Atom_Stereo_Count	0
90943885	TPSA	0
31233	Covalent_Unit_Count	1
20041	Defined_Atom_Stereo_Count	0
119198	TPSA	26.7
80715	Structure_Complexity	262
23441	Isotope_Atom_Count	0
520711	Exact_Mass	99.104799419
11217523	Defined_Atom_Stereo_Count	2
657201	Tautomer_Count	1
10374415	Hydrogen_Bond_Donor_Count	1
62403	Molecular_Weight	712.7
71729958	Undefined_Atom_Stereo_Count	0
9568628	Covalent_Unit_Count	1
79098	Isotope_Atom_Count	0
260496	Exact_Mass	113.084063974
12285878	Structure_Complexity	151
21595393	Covalent_Unit_Count	1
439198	Rotatable_Bond_Count	3
53904133	Defined_Atom_Stereo_Count	0
5460044	Tautomer_Count	1
40585	TPSA	59.3
13039	Tautomer_Count	3
101077	Tautomer_Count	1
123618	Covalent_Unit_Count	1
69027241	Defined_Bond_Stereo_Count	0
57149850	Defined_Atom_Stereo_Count	0
38464	Undefined_Bond_Stereo_Count	0
22138130	Total_Formal_Charge	0
18445434	TPSA	41.1
17407	Undefined_Bond_Stereo_Count	0
72016	Exact_Mass	216.126263138
98044763	Defined_Bond_Stereo_Count	0
42337	Tautomer_Count	2
12694695	Rotatable_Bond_Count	0
126514322	Hydrogen_Bond_Donor_Count	1
96327588	Exact_Mass	527.23263824
23673837	Isotope_Atom_Count	0
6010	Hydrogen_Bond_Acceptor_Count	2
46861540	Hydrogen_Bond_Acceptor_Count	8
5281951	Defined_Atom_Stereo_Count	0
12541465	Isotope_Atom_Count	0
12580406	Undefined_Bond_Stereo_Count	0
16049377	TPSA	128
439501	Molecular_Weight	584.7
13546	Defined_Bond_Stereo_Count	0
135409350	Defined_Atom_Stereo_Count	0
176873	Exact_Mass	588.30199564
5462306	Exact_Mass	297.13649347
88924436	Hydrogen_Bond_Donor_Count	0
157365551	Molecular_Weight	284.35
85491	Hydrogen_Bond_Donor_Count	1
58099153	Non-hydrogen_Atom_Count	8
129630422	Structure_Complexity	1410
73282	TPSA	141
10155136	Exact_Mass	355.13321961
2216	Structure_Complexity	247
509864	Molecular_Weight	437.6
140050359	Structure_Complexity	109
4651115	TPSA	112
93077	Undefined_Atom_Stereo_Count	0
656506	Molecular_Weight	448.5
6436658	Undefined_Bond_Stereo_Count	0
5489013	Tautomer_Count	2
117709	Molecular_Weight	151.16
4323059	Exact_Mass	138.05932639
724228	XLogP3-AA	4.7
20774103	Undefined_Atom_Stereo_Count	1
81445	Hydrogen_Bond_Donor_Count	1
9815326	Undefined_Bond_Stereo_Count	0
135005	Tautomer_Count	1
168623	Total_Formal_Charge	0
65725	Mono_Isotopic_Weight	102.042927438
57398253	Structure_Complexity	663
135981362	Exact_Mass	410.18417193
16224745	Hydrogen_Bond_Donor_Count	2
169371	Defined_Atom_Stereo_Count	1
23714647	Total_Formal_Charge	0
56841862	Exact_Mass	375.1612642
87322	XLogP3-AA	1.4
6537213	Non-hydrogen_Atom_Count	33
11477442	Total_Formal_Charge	0
57261612	Exact_Mass	109.063997236
2412	Covalent_Unit_Count	1
118613234	Rotatable_Bond_Count	1
81981	Structure_Complexity	227
9802865	XLogP3	1.9
31260	Molecular_Weight	88.15
54601151	Defined_Atom_Stereo_Count	6
123737063	Defined_Atom_Stereo_Count	0
84640	Non-hydrogen_Atom_Count	8
9548801	Hydrogen_Bond_Donor_Count	8
68401	Undefined_Bond_Stereo_Count	0
117841973	TPSA	45.6
17754772	Exact_Mass	306.15929460
72200863	Defined_Bond_Stereo_Count	0
3449165	Hydrogen_Bond_Acceptor_Count	5
158785912	Non-hydrogen_Atom_Count	85
151093	Defined_Atom_Stereo_Count	4
11969781	TPSA	202
136572	Hydrogen_Bond_Donor_Count	0
70693267	Exact_Mass	529.1629153
60196321	Mono_Isotopic_Weight	388.1917559
118796997	Undefined_Bond_Stereo_Count	0
581206	Isotope_Atom_Count	0
85779440	XLogP3-AA	0.1
30387	Total_Formal_Charge	0
6950274	Tautomer_Count	1
54421	Non-hydrogen_Atom_Count	27
49868036	Rotatable_Bond_Count	26
409347	Defined_Bond_Stereo_Count	0
362	Total_Formal_Charge	0
546	Defined_Bond_Stereo_Count	0
54522	XLogP3	3.1
13163973	Rotatable_Bond_Count	1
78759292	Undefined_Atom_Stereo_Count	1
6160	Rotatable_Bond_Count	5
3035451	Defined_Atom_Stereo_Count	4
11503827	Mono_Isotopic_Weight	474.1710204
147684232	Defined_Atom_Stereo_Count	0
60196413	Exact_Mass	474.25522887
8989	Mono_Isotopic_Weight	416.365430770
2416	Covalent_Unit_Count	1
76134	Total_Formal_Charge	0
6447131	Molecular_Weight	810.4
23892	Defined_Bond_Stereo_Count	0
29029	Defined_Atom_Stereo_Count	7
11693521	Hydrogen_Bond_Acceptor_Count	13
32597	Structure_Complexity	290
60196296	Defined_Atom_Stereo_Count	0
10219763	Covalent_Unit_Count	1
86054107	Total_Formal_Charge	0
25116186	Non-hydrogen_Atom_Count	29
3032281	Covalent_Unit_Count	1
68321947	Non-hydrogen_Atom_Count	28
3308	Defined_Bond_Stereo_Count	0
15431	Hydrogen_Bond_Donor_Count	0
44609731	Non-hydrogen_Atom_Count	30
54677946	Hydrogen_Bond_Donor_Count	1
22263119	TPSA	69.1
54288465	Defined_Atom_Stereo_Count	0
5491930	Exact_Mass	78.00654193
11062432	Undefined_Atom_Stereo_Count	0
17814354	Covalent_Unit_Count	1
17806	XLogP3-AA	3.5
22091090	Covalent_Unit_Count	1
20055283	Mono_Isotopic_Weight	920.40417981
12369	Defined_Bond_Stereo_Count	0
3877	Hydrogen_Bond_Acceptor_Count	4
85906	Mono_Isotopic_Weight	178.110613074
448165	Exact_Mass	342.11621151
1103	Exact_Mass	202.21574685
57164232	Exact_Mass	106.041864811
151092	Rotatable_Bond_Count	9
17533	Covalent_Unit_Count	1
6471	Exact_Mass	261.172878976
97597	Molecular_Weight	363.4
60196407	Defined_Atom_Stereo_Count	1
89359	Molecular_Weight	220.22
151897	XLogP3	1.2
692135	Hydrogen_Bond_Donor_Count	1
97617	Rotatable_Bond_Count	0
23725019	Isotope_Atom_Count	0
44720578	Undefined_Bond_Stereo_Count	0
31374	Total_Formal_Charge	0
98051220	Defined_Atom_Stereo_Count	6
59154995	Undefined_Bond_Stereo_Count	0
10926093	Hydrogen_Bond_Acceptor_Count	2
153874923	Structure_Complexity	90.5
13012673	Non-hydrogen_Atom_Count	5
24352	Non-hydrogen_Atom_Count	24
65327	Non-hydrogen_Atom_Count	21
73115	Rotatable_Bond_Count	2
40466884	Defined_Bond_Stereo_Count	0
106228050	Non-hydrogen_Atom_Count	8
11499	Defined_Atom_Stereo_Count	0
644078	Mono_Isotopic_Weight	568.50667527
20605239	Exact_Mass	85.052763847
135492976	Covalent_Unit_Count	1
10346870	TPSA	121
920	TPSA	130
78255	Rotatable_Bond_Count	18
75609	Tautomer_Count	1
64991794	Isotope_Atom_Count	0
164330	Hydrogen_Bond_Donor_Count	12
2077	Total_Formal_Charge	0
11659	Exact_Mass	241.77233
4583497	Hydrogen_Bond_Acceptor_Count	2
25201976	Non-hydrogen_Atom_Count	13
135418296	Tautomer_Count	5
10666310	Defined_Atom_Stereo_Count	5
88462	Covalent_Unit_Count	1
9847219	Isotope_Atom_Count	0
155903168	Non-hydrogen_Atom_Count	61
16704	Structure_Complexity	92.5
456297	Mono_Isotopic_Weight	569.29082182
44570851	TPSA	86.5
28532	Hydrogen_Bond_Acceptor_Count	4
5702068	Non-hydrogen_Atom_Count	29
64	Structure_Complexity	176
688451	Non-hydrogen_Atom_Count	17
129784240	Exact_Mass	110.02286070
2803172	Total_Formal_Charge	0
16220118	Rotatable_Bond_Count	4
117965	Covalent_Unit_Count	2
13279677	Undefined_Atom_Stereo_Count	0
10041	Hydrogen_Bond_Acceptor_Count	0
179697	Tautomer_Count	4
954767	Molecular_Weight	279.3
9875516	Defined_Bond_Stereo_Count	0
3710788	Structure_Complexity	66.5
22477643	TPSA	39.6
95292	Defined_Atom_Stereo_Count	0
98174	Defined_Bond_Stereo_Count	0
5311221	Non-hydrogen_Atom_Count	31
12524	Structure_Complexity	41.5
6918498	Structure_Complexity	503
280526	Covalent_Unit_Count	2
14798	Exact_Mass	39.99250893
11111992	Molecular_Weight	393.5
64927	Undefined_Atom_Stereo_Count	1
44416407	Defined_Atom_Stereo_Count	0
68942	Mono_Isotopic_Weight	240.05865769
4622	Structure_Complexity	288
3720192	Undefined_Atom_Stereo_Count	0
316249	Molecular_Weight	194.19
9330	Non-hydrogen_Atom_Count	24
85441390	Non-hydrogen_Atom_Count	7
10579	Defined_Bond_Stereo_Count	0
266934	Undefined_Bond_Stereo_Count	0
89532783	Hydrogen_Bond_Acceptor_Count	3
3052776	Exact_Mass	171.104799419
451239	TPSA	0
4774	XLogP3-AA	3.3
14012	Molecular_Weight	229.13
50938	Molecular_Weight	257.37
71374162	Defined_Atom_Stereo_Count	0
89395924	Hydrogen_Bond_Donor_Count	1
8819	Isotope_Atom_Count	0
8834	Total_Formal_Charge	0
443380	Undefined_Bond_Stereo_Count	0
5287851	Hydrogen_Bond_Acceptor_Count	4
140607	Hydrogen_Bond_Donor_Count	0
95566292	Hydrogen_Bond_Acceptor_Count	3
12275054	Non-hydrogen_Atom_Count	8
22311	Hydrogen_Bond_Donor_Count	0
51397515	Exact_Mass	545.09131438
2764874	TPSA	63.4
3443	XLogP3-AA	5.5
13743295	Rotatable_Bond_Count	0
74454	Hydrogen_Bond_Acceptor_Count	2
68520833	Hydrogen_Bond_Acceptor_Count	4
107805	Exact_Mass	293.152812238
153884978	Non-hydrogen_Atom_Count	8
181887	Defined_Atom_Stereo_Count	0
36255	Non-hydrogen_Atom_Count	29
24191118	Structure_Complexity	2.8
135981362	XLogP3	0.4
10953427	Mono_Isotopic_Weight	91.042199164
5283731	Structure_Complexity	655
19083150	Non-hydrogen_Atom_Count	11
15256279	Exact_Mass	99.104799419
304265	Structure_Complexity	92.5
545093	Exact_Mass	86.073164938
5362708	Mono_Isotopic_Weight	266.18819469
62705688	Covalent_Unit_Count	1
14988399	TPSA	26
134860471	Rotatable_Bond_Count	1
23663953	TPSA	97.9
448503	Mono_Isotopic_Weight	118.098037015
20784557	Non-hydrogen_Atom_Count	8
69333796	Undefined_Atom_Stereo_Count	0
5359624	XLogP3	6.1
66265	Mono_Isotopic_Weight	231.12348400
69160	Hydrogen_Bond_Donor_Count	3
11481426	Defined_Bond_Stereo_Count	0
11115809	Undefined_Bond_Stereo_Count	0
10246505	Undefined_Bond_Stereo_Count	0
3813	Structure_Complexity	977
53384597	Total_Formal_Charge	0
738658	Non-hydrogen_Atom_Count	17
5354043	Hydrogen_Bond_Acceptor_Count	1
19438455	Defined_Bond_Stereo_Count	0
13327	Non-hydrogen_Atom_Count	25
66254	Rotatable_Bond_Count	4
3040551	Exact_Mass	323.1288213
67210	Undefined_Atom_Stereo_Count	0
242912	Undefined_Bond_Stereo_Count	0
67821	Mono_Isotopic_Weight	463.9705080
27854	Total_Formal_Charge	2
140083	Undefined_Bond_Stereo_Count	0
154552978	Defined_Atom_Stereo_Count	0
518874	Hydrogen_Bond_Acceptor_Count	0
4409936	Hydrogen_Bond_Donor_Count	0
68651	Isotope_Atom_Count	0
638097	Covalent_Unit_Count	1
134867626	TPSA	83.1
81890	Defined_Atom_Stereo_Count	0
70789202	Covalent_Unit_Count	1
424	Defined_Atom_Stereo_Count	0
70695640	Undefined_Atom_Stereo_Count	1
135983	Isotope_Atom_Count	0
8283	Covalent_Unit_Count	1
72683639	Defined_Atom_Stereo_Count	0
12309521	XLogP3	2.9
6363	Hydrogen_Bond_Donor_Count	1
76285	Non-hydrogen_Atom_Count	16
83763	Covalent_Unit_Count	1
36604	TPSA	12
136005230	TPSA	54.7
163578456	Undefined_Bond_Stereo_Count	0
9601227	XLogP3	1.7
124427842	Total_Formal_Charge	0
91899080	Isotope_Atom_Count	0
3578945	Exact_Mass	140.9510097
259360	Molecular_Weight	105.14
61305	Undefined_Bond_Stereo_Count	0
11732	Rotatable_Bond_Count	1
18503	Exact_Mass	210.042927438
59034276	Non-hydrogen_Atom_Count	12
9911830	Undefined_Atom_Stereo_Count	0
136586	Defined_Bond_Stereo_Count	0
643587	Defined_Bond_Stereo_Count	0
399748	Mono_Isotopic_Weight	366.14672380
22706689	Hydrogen_Bond_Acceptor_Count	0
74682	Undefined_Atom_Stereo_Count	0
60196265	Covalent_Unit_Count	3
816864	Rotatable_Bond_Count	7
14510945	Defined_Atom_Stereo_Count	0
17607	Non-hydrogen_Atom_Count	5
82693	XLogP3	2.9
11264	Defined_Atom_Stereo_Count	0
11581936	Molecular_Weight	392.5
13483161	Undefined_Atom_Stereo_Count	0
1074953	Undefined_Bond_Stereo_Count	0
94229	Hydrogen_Bond_Donor_Count	1
15027981	Total_Formal_Charge	0
20849107	Mono_Isotopic_Weight	353.23279915
16422	Total_Formal_Charge	0
10034581	Hydrogen_Bond_Acceptor_Count	1
6918096	Isotope_Atom_Count	0
2816	Hydrogen_Bond_Donor_Count	1
15983549	Covalent_Unit_Count	1
52660	Hydrogen_Bond_Donor_Count	1
70425	TPSA	44.8
123870	Non-hydrogen_Atom_Count	11
65605	Exact_Mass	364.17869263
688217	Mono_Isotopic_Weight	339.14705815
26868	Structure_Complexity	331
4386	Defined_Bond_Stereo_Count	0
59277765	Defined_Atom_Stereo_Count	0
44129647	Rotatable_Bond_Count	4
91259187	Total_Formal_Charge	0
4448	Total_Formal_Charge	0
37768	TPSA	332
10346039	Exact_Mass	504.1462019
122850	Undefined_Atom_Stereo_Count	0
216	Hydrogen_Bond_Acceptor_Count	7
6604087	Defined_Atom_Stereo_Count	3
557608	Molecular_Weight	138.21
303892	Structure_Complexity	306
43262	Undefined_Atom_Stereo_Count	1
23675242	Tautomer_Count	1
60612	TPSA	28.7
3001055	Rotatable_Bond_Count	9
893947	Isotope_Atom_Count	0
3064425	Rotatable_Bond_Count	5
35754	Molecular_Weight	281.31
30627	Rotatable_Bond_Count	10
15706803	Defined_Bond_Stereo_Count	0
6877	Undefined_Atom_Stereo_Count	0
2377	XLogP3-AA	4.1
21142	Exact_Mass	178.04773803
1578	Non-hydrogen_Atom_Count	16
13037933	Exact_Mass	1201.84136802
4377	Non-hydrogen_Atom_Count	7
71678916	Structure_Complexity	688
10002900	Rotatable_Bond_Count	6
18428533	Undefined_Bond_Stereo_Count	0
58375	Defined_Bond_Stereo_Count	0
10034603	Undefined_Bond_Stereo_Count	0
7747	Defined_Atom_Stereo_Count	0
3702	Exact_Mass	365.0600902
16129778	Defined_Bond_Stereo_Count	0
6918496	TPSA	38.3
22182	Covalent_Unit_Count	3
76004	Total_Formal_Charge	0
2997881	Rotatable_Bond_Count	1
61691030	Hydrogen_Bond_Acceptor_Count	2
13860601	Mono_Isotopic_Weight	114.104465066
59703148	Rotatable_Bond_Count	1
4132186	XLogP3-AA	3.2
154342062	Undefined_Atom_Stereo_Count	2
9962735	Defined_Atom_Stereo_Count	0
130035834	Undefined_Bond_Stereo_Count	0
66673773	Non-hydrogen_Atom_Count	8
17407	Undefined_Atom_Stereo_Count	0
102029	Total_Formal_Charge	0
13721252	Isotope_Atom_Count	0
12479058	Hydrogen_Bond_Donor_Count	0
58618581	Non-hydrogen_Atom_Count	12
64033	TPSA	59.4
8679	TPSA	12
76956224	Non-hydrogen_Atom_Count	31
9821	Undefined_Bond_Stereo_Count	0
534204	Molecular_Weight	96.13
21719984	Mono_Isotopic_Weight	116.083729621
70693519	Hydrogen_Bond_Acceptor_Count	8
84787	TPSA	52.6
104794	Undefined_Atom_Stereo_Count	0
449284	Isotope_Atom_Count	0
12580406	Undefined_Atom_Stereo_Count	0
6420074	Tautomer_Count	2
4477	Undefined_Atom_Stereo_Count	0
25608	TPSA	0
165881712	Defined_Atom_Stereo_Count	0
86000267	XLogP3-AA	6.3
12406682	Hydrogen_Bond_Donor_Count	0
89202746	Total_Formal_Charge	0
54269666	Mono_Isotopic_Weight	85.089149355
4319	Total_Formal_Charge	0
10975412	Molecular_Weight	97.12
54046	XLogP3-AA	2.8
16049024	Undefined_Atom_Stereo_Count	0
441383	Rotatable_Bond_Count	8
5249	Rotatable_Bond_Count	12
91526	TPSA	65.6
15690647	Undefined_Atom_Stereo_Count	0
5375048	Defined_Atom_Stereo_Count	0
12202794	Defined_Bond_Stereo_Count	0
3009	Exact_Mass	182.08668395
67517	Rotatable_Bond_Count	0
92131209	Defined_Atom_Stereo_Count	2
73608879	Undefined_Bond_Stereo_Count	0
443040	TPSA	37.4
70774	Non-hydrogen_Atom_Count	11
162342152	Hydrogen_Bond_Acceptor_Count	2
140659510	Defined_Bond_Stereo_Count	0
43231	Structure_Complexity	604
16211656	Rotatable_Bond_Count	0
6918191	XLogP3-AA	3.1
7120	Rotatable_Bond_Count	3
17954	Covalent_Unit_Count	1
14069226	Molecular_Weight	104.11
12576587	Covalent_Unit_Count	1
196445	Undefined_Atom_Stereo_Count	0
98051220	Isotope_Atom_Count	0
138372	Hydrogen_Bond_Acceptor_Count	2
18324766	Non-hydrogen_Atom_Count	7
446934	Defined_Atom_Stereo_Count	8
994360	Hydrogen_Bond_Donor_Count	1
53481477	Hydrogen_Bond_Acceptor_Count	5
6539026	Hydrogen_Bond_Donor_Count	2
24182914	Structure_Complexity	121
151115	Hydrogen_Bond_Acceptor_Count	7
443201	Hydrogen_Bond_Donor_Count	4
53316417	Structure_Complexity	446
96269	Tautomer_Count	1
58387740	TPSA	9.2
10643403	Non-hydrogen_Atom_Count	25
24358	Isotope_Atom_Count	0
126961192	Exact_Mass	678.07845408
44431182	Rotatable_Bond_Count	8
627951	Total_Formal_Charge	0
1234	Hydrogen_Bond_Donor_Count	0
198136	Non-hydrogen_Atom_Count	25
12702413	Undefined_Atom_Stereo_Count	0
756229	Non-hydrogen_Atom_Count	24
54234173	Undefined_Atom_Stereo_Count	0
3685	Exact_Mass	497.16858144
442504	Undefined_Atom_Stereo_Count	0
472812	Isotope_Atom_Count	0
16599	Rotatable_Bond_Count	5
70682213	XLogP3-AA	1.4
321858	Total_Formal_Charge	0
18506440	Rotatable_Bond_Count	3
1514290	Defined_Atom_Stereo_Count	0
86266	Total_Formal_Charge	0
8674	Defined_Atom_Stereo_Count	0
460603	Molecular_Weight	496.6
3078952	Molecular_Weight	254.26
7839	XLogP3	2
24358	Hydrogen_Bond_Donor_Count	0
141070	Isotope_Atom_Count	0
14626842	Hydrogen_Bond_Donor_Count	2
1473603	TPSA	43.6
66775	Hydrogen_Bond_Acceptor_Count	0
35267	Rotatable_Bond_Count	3
5288075	Undefined_Bond_Stereo_Count	0
5751	Covalent_Unit_Count	1
131999	Defined_Bond_Stereo_Count	0
7475	XLogP3	1.4
124112720	Defined_Bond_Stereo_Count	0
72199540	Structure_Complexity	1040
12059	Structure_Complexity	98.9
17982942	Structure_Complexity	76.8
65940	Molecular_Weight	341.4
18506421	Molecular_Weight	116.11
5150303	Covalent_Unit_Count	2
115098	Defined_Atom_Stereo_Count	4
49750	Isotope_Atom_Count	0
6918649	Undefined_Bond_Stereo_Count	0
5282363	Undefined_Atom_Stereo_Count	0
142773668	Total_Formal_Charge	0
5175	Exact_Mass	339.1059778
208	Mono_Isotopic_Weight	260.02971899
219104	Tautomer_Count	1
54066	Molecular_Weight	250.34
71172	Total_Formal_Charge	0
68284	Exact_Mass	163.00918496
3035541	Hydrogen_Bond_Acceptor_Count	4
115162	Hydrogen_Bond_Acceptor_Count	7
455658	Non-hydrogen_Atom_Count	44
135608329	Defined_Atom_Stereo_Count	0
10295295	Tautomer_Count	1
53462828	Non-hydrogen_Atom_Count	47
657250	Hydrogen_Bond_Acceptor_Count	14
88740	Undefined_Atom_Stereo_Count	0
23714994	Total_Formal_Charge	0
40463608	Structure_Complexity	102
67641738	Defined_Bond_Stereo_Count	0
67520	Isotope_Atom_Count	0
6327	TPSA	0
249414	Rotatable_Bond_Count	2
5323977	Mono_Isotopic_Weight	114.042927438
10407447	Defined_Atom_Stereo_Count	8
6327350	Hydrogen_Bond_Donor_Count	0
34260	Undefined_Atom_Stereo_Count	2
129816	Structure_Complexity	567
22476544	Mono_Isotopic_Weight	101.047678466
12867435	Structure_Complexity	97.2
156144	Covalent_Unit_Count	1
58411	Covalent_Unit_Count	2
91769	Hydrogen_Bond_Acceptor_Count	5
9810773	Isotope_Atom_Count	0
6454823	Isotope_Atom_Count	0
25227436	Hydrogen_Bond_Acceptor_Count	6
74262	TPSA	0
93462	Defined_Atom_Stereo_Count	0
15383909	Defined_Atom_Stereo_Count	14
36688490	Covalent_Unit_Count	1
70260	Isotope_Atom_Count	0
129983923	TPSA	12.5
592915	Isotope_Atom_Count	0
68019	Structure_Complexity	144
53469852	Structure_Complexity	755
580328	Mono_Isotopic_Weight	481.98464049
237	Covalent_Unit_Count	1
55067	Non-hydrogen_Atom_Count	10
9819	Undefined_Atom_Stereo_Count	0
4931	Rotatable_Bond_Count	3
76958180	Tautomer_Count	2
404289	Hydrogen_Bond_Acceptor_Count	4
24678	Molecular_Weight	333.2
83904778	Undefined_Atom_Stereo_Count	0
73415830	Defined_Bond_Stereo_Count	0
44630107	Tautomer_Count	1
526950	Undefined_Bond_Stereo_Count	0
12146	Molecular_Weight	142.20
135923569	Hydrogen_Bond_Acceptor_Count	4
76973216	Tautomer_Count	1
247673	Molecular_Weight	545.5
16415729	Non-hydrogen_Atom_Count	18
346	Molecular_Weight	272.25
71584271	Undefined_Atom_Stereo_Count	0
26235	XLogP3-AA	4.6
12976	Rotatable_Bond_Count	1
71600846	Isotope_Atom_Count	0
91216087	Defined_Atom_Stereo_Count	0
7921	Structure_Complexity	88.1
3340152	Structure_Complexity	115
21887748	Rotatable_Bond_Count	0
2762809	Defined_Atom_Stereo_Count	0
219025	Total_Formal_Charge	0
123286573	Rotatable_Bond_Count	3
165157	Defined_Atom_Stereo_Count	12
119084740	Undefined_Atom_Stereo_Count	0
24352	Defined_Atom_Stereo_Count	0
216324	Hydrogen_Bond_Donor_Count	1
130510864	Structure_Complexity	94
44206533	Hydrogen_Bond_Donor_Count	0
78323	Defined_Bond_Stereo_Count	0
45255110	Undefined_Atom_Stereo_Count	0
4788452	Undefined_Bond_Stereo_Count	0
29746	Molecular_Weight	182.30
12231381	Defined_Atom_Stereo_Count	0
6477715	Rotatable_Bond_Count	7
11979606	Hydrogen_Bond_Acceptor_Count	14
10355130	Defined_Atom_Stereo_Count	0
10980	Exact_Mass	255.931856
628370	Mono_Isotopic_Weight	308.91677
419176	Defined_Atom_Stereo_Count	0
80065	Hydrogen_Bond_Donor_Count	2
103376402	Total_Formal_Charge	0
33037	Non-hydrogen_Atom_Count	14
141427445	Structure_Complexity	147
5459211	Hydrogen_Bond_Acceptor_Count	12
46780441	Molecular_Weight	180.16
17894357	Hydrogen_Bond_Acceptor_Count	4
74195	Molecular_Weight	266.4
31779	XLogP3	3.7
51585	TPSA	62.6
74066	Hydrogen_Bond_Donor_Count	2
76714	Defined_Bond_Stereo_Count	0
445461	Hydrogen_Bond_Donor_Count	9
21635253	Undefined_Atom_Stereo_Count	2
519200	Hydrogen_Bond_Donor_Count	0
136673	Tautomer_Count	1
5053558	XLogP3-AA	0.1
270299	Defined_Bond_Stereo_Count	0
44311686	TPSA	117
529197	Covalent_Unit_Count	1
45046073	Isotope_Atom_Count	0
5363234	XLogP3-AA	12.1
20527	XLogP3-AA	2.4
7526	Undefined_Bond_Stereo_Count	0
132275556	Covalent_Unit_Count	1
10709065	Undefined_Bond_Stereo_Count	0
23181	Isotope_Atom_Count	0
6440397	Non-hydrogen_Atom_Count	22
197712	Mono_Isotopic_Weight	378.15795719
44590403	Defined_Atom_Stereo_Count	0
10045495	Molecular_Weight	383.4
159871	Exact_Mass	314.0491912
42091	Hydrogen_Bond_Acceptor_Count	3
167693	Non-hydrogen_Atom_Count	7
68097	Hydrogen_Bond_Donor_Count	2
145994598	Mono_Isotopic_Weight	8268.3514156
129236	TPSA	93.5
115205	Hydrogen_Bond_Donor_Count	6
13033202	Rotatable_Bond_Count	0
36109	Molecular_Weight	257.33
42521	Non-hydrogen_Atom_Count	29
57392503	Hydrogen_Bond_Donor_Count	3
3045407	Undefined_Bond_Stereo_Count	0
3003791	Hydrogen_Bond_Acceptor_Count	2
1242943	Undefined_Atom_Stereo_Count	0
118210311	Undefined_Bond_Stereo_Count	0
135487652	Isotope_Atom_Count	0
119097490	Mono_Isotopic_Weight	114.068079557
10931374	Defined_Bond_Stereo_Count	0
11693896	Covalent_Unit_Count	1
6420022	Defined_Atom_Stereo_Count	0
21914607	Undefined_Atom_Stereo_Count	2
63944	XLogP3-AA	7.3
82322	Undefined_Atom_Stereo_Count	0
73030065	Total_Formal_Charge	0
10975533	Undefined_Bond_Stereo_Count	0
139307343	Covalent_Unit_Count	1
83904778	Defined_Atom_Stereo_Count	0
44577611	Undefined_Bond_Stereo_Count	0
1140	Hydrogen_Bond_Acceptor_Count	0
23676745	Rotatable_Bond_Count	2
123725105	Defined_Atom_Stereo_Count	0
3034390	XLogP3-AA	5.6
5037	Mono_Isotopic_Weight	245.152812238
123467456	Rotatable_Bond_Count	1
543995	Non-hydrogen_Atom_Count	8
14342	Undefined_Bond_Stereo_Count	0
61124	Defined_Bond_Stereo_Count	0
92140	Undefined_Atom_Stereo_Count	0
53398649	Defined_Atom_Stereo_Count	0
6855	Hydrogen_Bond_Acceptor_Count	3
88494	Non-hydrogen_Atom_Count	5
68876	Molecular_Weight	395.9
886677	Defined_Atom_Stereo_Count	1
15801221	Total_Formal_Charge	0
25209	Isotope_Atom_Count	0
25887	Isotope_Atom_Count	0
79814	Covalent_Unit_Count	1
21768	Exact_Mass	149.120449483
18476134	Hydrogen_Bond_Acceptor_Count	3
15185934	Isotope_Atom_Count	0
3277600	Tautomer_Count	12
56962313	Undefined_Atom_Stereo_Count	0
57283625	Defined_Atom_Stereo_Count	0
123630	Hydrogen_Bond_Donor_Count	1
67486	Isotope_Atom_Count	0
72207931	Isotope_Atom_Count	0
23672325	Defined_Atom_Stereo_Count	0
283813	Structure_Complexity	109
28615	Total_Formal_Charge	0
6096207	Defined_Bond_Stereo_Count	0
60196313	Mono_Isotopic_Weight	231.162314293
129865974	Isotope_Atom_Count	0
44181920	Undefined_Atom_Stereo_Count	1
135564996	Molecular_Weight	538.6
153196846	Hydrogen_Bond_Acceptor_Count	1
22609888	TPSA	83
25295	Defined_Bond_Stereo_Count	0
595999	Undefined_Atom_Stereo_Count	2
9638	Defined_Bond_Stereo_Count	0
11769408	Rotatable_Bond_Count	4
67330085	Isotope_Atom_Count	0
135347950	Undefined_Bond_Stereo_Count	0
1821	Covalent_Unit_Count	1
16375	XLogP3	0.3
160998	Molecular_Weight	81.80
48758	Rotatable_Bond_Count	3
5271566	Covalent_Unit_Count	1
74070	Total_Formal_Charge	0
49721	Rotatable_Bond_Count	2
5362893	Isotope_Atom_Count	0
9861147	Covalent_Unit_Count	1
76969110	Non-hydrogen_Atom_Count	81
84647611	Exact_Mass	101.084063974
6067	Exact_Mass	340.19463999
77274	Covalent_Unit_Count	1
70957	Defined_Bond_Stereo_Count	0
91623917	Defined_Atom_Stereo_Count	0
122	Total_Formal_Charge	0
31018	Hydrogen_Bond_Acceptor_Count	2
12385939	Mono_Isotopic_Weight	117.053826475
72207931	Defined_Bond_Stereo_Count	0
11907	Total_Formal_Charge	0
2531445	Hydrogen_Bond_Acceptor_Count	6
42725	Mono_Isotopic_Weight	227.105862047
7795	Exact_Mass	158.130679813
21679899	TPSA	9.2
83971	Undefined_Bond_Stereo_Count	0
267210	Hydrogen_Bond_Acceptor_Count	3
10414749	Hydrogen_Bond_Donor_Count	2
20823	Hydrogen_Bond_Donor_Count	1
6604009	Non-hydrogen_Atom_Count	29
18428533	Undefined_Atom_Stereo_Count	0
526950	Defined_Atom_Stereo_Count	0
7234	Structure_Complexity	255
3085218	Exact_Mass	265.157897619
10027278	Isotope_Atom_Count	0
439616	Hydrogen_Bond_Donor_Count	2
12453026	Undefined_Bond_Stereo_Count	0
54311466	Mono_Isotopic_Weight	103.063328530
7732	Total_Formal_Charge	0
16996	Total_Formal_Charge	0
451189	Defined_Atom_Stereo_Count	0
9258	Total_Formal_Charge	0
444972	Covalent_Unit_Count	1
54421	Defined_Bond_Stereo_Count	0
25169133	Molecular_Weight	349.75
24950594	Rotatable_Bond_Count	4
9919942	Hydrogen_Bond_Acceptor_Count	19
53432920	Mono_Isotopic_Weight	96.093900383
57164040	Exact_Mass	645.23224432
5367460	Covalent_Unit_Count	1
657238	Hydrogen_Bond_Donor_Count	2
131801303	Exact_Mass	1220.61898316
166144333	Defined_Bond_Stereo_Count	0
4475481	Exact_Mass	447.1228804
1855	Exact_Mass	214.09535693
96917	Rotatable_Bond_Count	0
59295926	Covalent_Unit_Count	1
163578456	Defined_Atom_Stereo_Count	0
315411	Undefined_Bond_Stereo_Count	0
8594	Molecular_Weight	291.3
6335499	Molecular_Weight	85.911167
6419708	Structure_Complexity	567
13487685	Non-hydrogen_Atom_Count	7
86054107	Hydrogen_Bond_Donor_Count	0
13037933	Total_Formal_Charge	0
9984374	Undefined_Atom_Stereo_Count	1
23724526	TPSA	46.5
127516	Exact_Mass	378.18425212
10297043	Defined_Atom_Stereo_Count	1
61053	TPSA	55.4
2133	Undefined_Bond_Stereo_Count	0
23385871	Rotatable_Bond_Count	0
12031	Total_Formal_Charge	0
1162	Covalent_Unit_Count	1
159977	Defined_Bond_Stereo_Count	0
8495	Defined_Atom_Stereo_Count	0
91753	Isotope_Atom_Count	0
3323161	Rotatable_Bond_Count	1
640180	Defined_Atom_Stereo_Count	0
44205191	Mono_Isotopic_Weight	308.12846858
12920383	Undefined_Bond_Stereo_Count	0
98648	Defined_Atom_Stereo_Count	0
44144393	Undefined_Atom_Stereo_Count	2
5929	Rotatable_Bond_Count	3
1032	Defined_Atom_Stereo_Count	0
11611218	Molecular_Weight	409.3
156618042	Defined_Atom_Stereo_Count	10
153805791	Hydrogen_Bond_Acceptor_Count	3
83782	Undefined_Atom_Stereo_Count	0
134688371	Undefined_Atom_Stereo_Count	0
102551	Non-hydrogen_Atom_Count	11
26534	Molecular_Weight	259.80
5365910	Tautomer_Count	1
66260	Isotope_Atom_Count	0
21322859	Undefined_Atom_Stereo_Count	0
5081	Non-hydrogen_Atom_Count	24
4992033	Total_Formal_Charge	1
122198135	Structure_Complexity	987
16212479	Hydrogen_Bond_Acceptor_Count	7
13095	Total_Formal_Charge	0
4342487	Hydrogen_Bond_Donor_Count	0
205324	Rotatable_Bond_Count	0
24776140	TPSA	77.4
146571	Rotatable_Bond_Count	6
53851	Structure_Complexity	342
81239	Isotope_Atom_Count	0
20055414	Defined_Atom_Stereo_Count	2
53321035	Structure_Complexity	347
75412563	Defined_Bond_Stereo_Count	0
25185	Molecular_Weight	168.28
5312153	Tautomer_Count	6
21470197	Isotope_Atom_Count	0
11319053	Tautomer_Count	12
69501250	TPSA	73.6
46782912	TPSA	62.3
129195194	Molecular_Weight	114.15
53372724	Exact_Mass	526.25735413
2794811	Exact_Mass	102.079312947
57393918	Rotatable_Bond_Count	4
5326	TPSA	116
51030897	Covalent_Unit_Count	1
7906	Hydrogen_Bond_Donor_Count	0
15324722	Structure_Complexity	151
2542	XLogP3-AA	6.3
91822	Exact_Mass	235.2066777
70912	Structure_Complexity	177
25023853	Defined_Bond_Stereo_Count	0
3008895	Exact_Mass	1158.42089250
11083833	Undefined_Atom_Stereo_Count	0
222199	TPSA	36.9
528405	Undefined_Atom_Stereo_Count	0
442348	Covalent_Unit_Count	1
5413	Hydrogen_Bond_Acceptor_Count	0
6476006	Structure_Complexity	324
44909	Exact_Mass	253.06774
9871420	Undefined_Bond_Stereo_Count	0
7263	Hydrogen_Bond_Donor_Count	2
40466957	Total_Formal_Charge	0
494148	Undefined_Atom_Stereo_Count	8
58655	Exact_Mass	277.0748676
72978296	Hydrogen_Bond_Acceptor_Count	2
53628842	Rotatable_Bond_Count	1
101835694	Undefined_Bond_Stereo_Count	0
8739	Undefined_Bond_Stereo_Count	0
3083655	Structure_Complexity	67.4
94381	TPSA	58.2
8508	Molecular_Weight	545.7
11957684	Isotope_Atom_Count	0
9794485	Structure_Complexity	193
8978	Hydrogen_Bond_Donor_Count	0
17882722	Molecular_Weight	114.10
21492261	Defined_Atom_Stereo_Count	0
46231497	Exact_Mass	386.18550935
2723704	Tautomer_Count	3
45588109	Hydrogen_Bond_Acceptor_Count	5
3423265	Rotatable_Bond_Count	12
12688299	Covalent_Unit_Count	1
6017	Total_Formal_Charge	0
97944	Tautomer_Count	1
143289	Defined_Atom_Stereo_Count	0
403016	Structure_Complexity	775
79143	Hydrogen_Bond_Donor_Count	1
7115	TPSA	0
53897	Isotope_Atom_Count	0
2733497	Undefined_Bond_Stereo_Count	0
7742	Rotatable_Bond_Count	2
163829	Tautomer_Count	1001
11237963	Exact_Mass	535.38862582
92938	Rotatable_Bond_Count	8
12635	Isotope_Atom_Count	0
5315472	Total_Formal_Charge	0
44237243	Exact_Mass	317.06612775
32698	Undefined_Bond_Stereo_Count	0
35378	Exact_Mass	347.0924357
78361	Defined_Bond_Stereo_Count	0
112711235	Structure_Complexity	77.7
72429	TPSA	169
19432668	Rotatable_Bond_Count	2
1712094	TPSA	47.9
7435	Undefined_Atom_Stereo_Count	0
5483	Isotope_Atom_Count	0
5280981	Covalent_Unit_Count	1
7940	Total_Formal_Charge	0
57037620	XLogP3-AA	0.6
90495	Defined_Atom_Stereo_Count	0
1080	Exact_Mass	179.02522894
82711397	Rotatable_Bond_Count	1
5361848	XLogP3	0
164076539	Defined_Bond_Stereo_Count	0
529076	Undefined_Atom_Stereo_Count	0
123867503	Defined_Bond_Stereo_Count	0
64709	Structure_Complexity	905
65975	XLogP3-AA	2
14791281	Molecular_Weight	180.24
15565709	Mono_Isotopic_Weight	406.06588
5146	Undefined_Bond_Stereo_Count	0
84571	Defined_Bond_Stereo_Count	0
129803162	Defined_Atom_Stereo_Count	0
98416	Defined_Bond_Stereo_Count	0
44143571	XLogP3-AA	5.8
46239	Total_Formal_Charge	0
5388962	Mono_Isotopic_Weight	376.19982200
10796	Tautomer_Count	1
91585	Molecular_Weight	244.25
5281976	Non-hydrogen_Atom_Count	15
5504	Undefined_Atom_Stereo_Count	0
4390	Defined_Atom_Stereo_Count	0
350667	Molecular_Weight	87.12
37448	Covalent_Unit_Count	5
5194	Exact_Mass	740.44994823
61143	Total_Formal_Charge	0
95070	Covalent_Unit_Count	1
45117185	Mono_Isotopic_Weight	208.109944368
413728	Mono_Isotopic_Weight	478.322223289
135596593	Undefined_Bond_Stereo_Count	0
2813	Undefined_Bond_Stereo_Count	0
33919	Structure_Complexity	414
25245711	Molecular_Weight	889.7
179212	Defined_Atom_Stereo_Count	0
36967	Isotope_Atom_Count	0
1550888	Rotatable_Bond_Count	6
125461707	Undefined_Bond_Stereo_Count	0
16079005	Covalent_Unit_Count	2
13499611	Molecular_Weight	114.19
147856	Isotope_Atom_Count	0
4911	Molecular_Weight	285.36
970	Isotope_Atom_Count	0
44576048	TPSA	174
3375	Molecular_Weight	410.5
22420437	Molecular_Weight	83.13
582056	Undefined_Bond_Stereo_Count	0
51397976	Isotope_Atom_Count	0
5289085	Total_Formal_Charge	0
14501	Mono_Isotopic_Weight	163.98368
91850189	Undefined_Bond_Stereo_Count	0
81577	Structure_Complexity	157
2736145	Covalent_Unit_Count	1
121026	Hydrogen_Bond_Acceptor_Count	3
14949967	Non-hydrogen_Atom_Count	7
71586929	Mono_Isotopic_Weight	281.990079
12953697	Mono_Isotopic_Weight	85.089149355
10075424	Mono_Isotopic_Weight	522.13378872
90258	TPSA	82.8
443156	Covalent_Unit_Count	1
969	Exact_Mass	773.17929631
61032	TPSA	33
6327	Total_Formal_Charge	0
415984	Defined_Bond_Stereo_Count	0
91770	Defined_Bond_Stereo_Count	0
9643	Defined_Bond_Stereo_Count	0
3388301	TPSA	49.4
12285822	Rotatable_Bond_Count	3
68617	Hydrogen_Bond_Donor_Count	1
519200	TPSA	18.5
2760056	Isotope_Atom_Count	0
98043899	Undefined_Bond_Stereo_Count	0
237	Undefined_Atom_Stereo_Count	1
55285553	Exact_Mass	101.084063974
21885122	Structure_Complexity	228
18624855	Covalent_Unit_Count	1
73820465	Exact_Mass	482.15768240
11325	Hydrogen_Bond_Acceptor_Count	2
15774823	Undefined_Bond_Stereo_Count	0
55287187	Covalent_Unit_Count	1
44358318	Mono_Isotopic_Weight	450.15421043
19603047	Molecular_Weight	114.19
11715767	TPSA	57.8
13528	Exact_Mass	104.0028925
22172	Non-hydrogen_Atom_Count	6
62475	Molecular_Weight	120.19
46882191	Hydrogen_Bond_Donor_Count	1
133612499	Undefined_Bond_Stereo_Count	0
447021	Defined_Atom_Stereo_Count	0
250074	Molecular_Weight	166.17
3035842	Structure_Complexity	132
87518	Hydrogen_Bond_Acceptor_Count	2
12377442	Undefined_Bond_Stereo_Count	0
24441	Defined_Atom_Stereo_Count	0
71453775	Non-hydrogen_Atom_Count	33
641496	Exact_Mass	101.047678466
7435	Defined_Atom_Stereo_Count	0
186148	Hydrogen_Bond_Acceptor_Count	1
135925740	Rotatable_Bond_Count	5
5289159	Mono_Isotopic_Weight	305.13237409
67631	Isotope_Atom_Count	0
57394598	Covalent_Unit_Count	1
6610296	TPSA	279
4409	Undefined_Bond_Stereo_Count	0
7526	Undefined_Atom_Stereo_Count	0
162990683	Molecular_Weight	665.7
191	Total_Formal_Charge	0
138496	TPSA	50.8
20705517	Undefined_Atom_Stereo_Count	1
54580844	Total_Formal_Charge	0
101977	Molecular_Weight	156.26
5857	Undefined_Bond_Stereo_Count	0
19768890	Total_Formal_Charge	0
58806244	Defined_Bond_Stereo_Count	0
1811	Hydrogen_Bond_Donor_Count	2
178925	Molecular_Weight	193.24
98043897	Structure_Complexity	688
24867454	Mono_Isotopic_Weight	649.7822
45139106	TPSA	153
120741	Non-hydrogen_Atom_Count	24
439373	Mono_Isotopic_Weight	178.04773803
12049	TPSA	26
163050677	Molecular_Weight	284.35
24762	XLogP3-AA	7.8
14743344	Hydrogen_Bond_Acceptor_Count	3
7566944	Defined_Bond_Stereo_Count	0
98397	XLogP3-AA	3.5
27368	Defined_Atom_Stereo_Count	0
18720	Hydrogen_Bond_Donor_Count	0
53384442	Molecular_Weight	416.4
2723942	TPSA	113
78607	Undefined_Bond_Stereo_Count	0
11531460	Hydrogen_Bond_Acceptor_Count	4
74041115	Covalent_Unit_Count	1
11587	Covalent_Unit_Count	1
37464	TPSA	41.5
25058186	Rotatable_Bond_Count	2
3869	Defined_Bond_Stereo_Count	0
1010	Mono_Isotopic_Weight	339.04676603
21450	Defined_Atom_Stereo_Count	0
6358	Defined_Atom_Stereo_Count	0
3185	TPSA	87.8
8602	Hydrogen_Bond_Acceptor_Count	2
852933	Structure_Complexity	490
5608	Undefined_Atom_Stereo_Count	15
54377545	Mono_Isotopic_Weight	99.068413911
42710	Non-hydrogen_Atom_Count	25
124143	Total_Formal_Charge	0
208898	XLogP3-AA	7.2
4202	Hydrogen_Bond_Acceptor_Count	8
72551585	Undefined_Bond_Stereo_Count	0
70729	Molecular_Weight	118.10
2818985	Non-hydrogen_Atom_Count	26
21251781	Defined_Atom_Stereo_Count	0
3068840	Defined_Bond_Stereo_Count	0
160617	Hydrogen_Bond_Donor_Count	6
950	Mono_Isotopic_Weight	137.084063974
508194	Mono_Isotopic_Weight	667.40975519
10900	Hydrogen_Bond_Donor_Count	0
439587	Undefined_Atom_Stereo_Count	0
51397976	TPSA	135
10026007	Hydrogen_Bond_Acceptor_Count	8
9828911	Isotope_Atom_Count	0
127601	Non-hydrogen_Atom_Count	28
785244	Hydrogen_Bond_Acceptor_Count	4
21604850	TPSA	23.8
6479	Isotope_Atom_Count	0
88212048	Defined_Bond_Stereo_Count	0
11240515	Non-hydrogen_Atom_Count	7
449328	Covalent_Unit_Count	1
737769	Defined_Bond_Stereo_Count	0
3715	Tautomer_Count	5
124081896	Non-hydrogen_Atom_Count	40
140377273	Structure_Complexity	72.9
138148	Molecular_Weight	100.16
56842796	Defined_Atom_Stereo_Count	5
6196	Structure_Complexity	681
66503	Mono_Isotopic_Weight	418.168127949
3413668	TPSA	40.5
15256327	Exact_Mass	115.063328530
44154493	Total_Formal_Charge	0
19877808	Hydrogen_Bond_Acceptor_Count	2
738244	Non-hydrogen_Atom_Count	15
13348002	Covalent_Unit_Count	1
534767	Rotatable_Bond_Count	2
7832	Isotope_Atom_Count	0
22181555	Non-hydrogen_Atom_Count	7
48754	Exact_Mass	226.13174244
33741	Total_Formal_Charge	0
4174	Defined_Atom_Stereo_Count	0
63974	Total_Formal_Charge	0
87280032	Total_Formal_Charge	0
13198436	Defined_Atom_Stereo_Count	0
441300	XLogP3-AA	0.9
31515	Molecular_Weight	293.08
144147883	Undefined_Bond_Stereo_Count	0
102059952	Undefined_Atom_Stereo_Count	0
66509091	Covalent_Unit_Count	1
14844402	Structure_Complexity	1080
18459757	Hydrogen_Bond_Acceptor_Count	2
5460588	Hydrogen_Bond_Donor_Count	2
564558	Hydrogen_Bond_Acceptor_Count	2
147246726	Total_Formal_Charge	0
24595	Tautomer_Count	1
94011387	Mono_Isotopic_Weight	342.11621151
24870	Isotope_Atom_Count	0
7526	Defined_Atom_Stereo_Count	0
102447462	Hydrogen_Bond_Donor_Count	5
61144	Structure_Complexity	85.4
2063	Exact_Mass	184.063662883
92321	Total_Formal_Charge	0
71624581	Undefined_Bond_Stereo_Count	0
11658655	Undefined_Bond_Stereo_Count	0
71459166	Undefined_Bond_Stereo_Count	0
122241575	Undefined_Bond_Stereo_Count	0
135403648	Covalent_Unit_Count	1
168	Undefined_Atom_Stereo_Count	10
14354	Undefined_Atom_Stereo_Count	0
8742	Total_Formal_Charge	0
3014295	Defined_Bond_Stereo_Count	0
93104	XLogP3-AA	3.8
21778241	Covalent_Unit_Count	1
11604	Exact_Mass	81.057849228
29971	TPSA	41.1
21803	Undefined_Bond_Stereo_Count	0
2442	Total_Formal_Charge	0
12164	Covalent_Unit_Count	1
968498	TPSA	77.5
71857	Hydrogen_Bond_Acceptor_Count	7
90894106	Undefined_Atom_Stereo_Count	0
138801	Molecular_Weight	274.5
52993227	Undefined_Atom_Stereo_Count	0
579	TPSA	209
66803155	Exact_Mass	711.29042790
587	Structure_Complexity	271
34521	Rotatable_Bond_Count	2
85546	Undefined_Bond_Stereo_Count	0
61539	Hydrogen_Bond_Acceptor_Count	0
117065485	Covalent_Unit_Count	1
56841556	Structure_Complexity	1890
40855	Total_Formal_Charge	0
21715587	Undefined_Bond_Stereo_Count	0
2137	Undefined_Bond_Stereo_Count	0
61282	Undefined_Bond_Stereo_Count	0
57713	Exact_Mass	501.22101093
15806	Covalent_Unit_Count	1
550030	Exact_Mass	138.104465066
5003	Undefined_Atom_Stereo_Count	0
15684	Exact_Mass	175.9795702
3289	XLogP3	3.6
69657	Total_Formal_Charge	0
13878	Undefined_Atom_Stereo_Count	0
16767284	XLogP3-AA	1
74267	Mono_Isotopic_Weight	398.13532476
221961	XLogP3-AA	0.6
18208	Non-hydrogen_Atom_Count	8
23618707	Undefined_Bond_Stereo_Count	0
11249342	Defined_Atom_Stereo_Count	2
54422686	Structure_Complexity	55.7
61375	Molecular_Weight	156.22
1561	Undefined_Atom_Stereo_Count	0
54767229	Tautomer_Count	1
4159	Hydrogen_Bond_Donor_Count	3
16627	Hydrogen_Bond_Acceptor_Count	2
54405	Exact_Mass	441.02840
12285878	Tautomer_Count	1
130443213	Defined_Bond_Stereo_Count	0
71094775	Mono_Isotopic_Weight	342.11621151
163940165	Undefined_Bond_Stereo_Count	0
53237541	TPSA	68
3016738	Undefined_Bond_Stereo_Count	0
114935	Structure_Complexity	1170
12263095	Undefined_Atom_Stereo_Count	0
17904790	Rotatable_Bond_Count	1
203433	Undefined_Atom_Stereo_Count	0
13707493	Undefined_Atom_Stereo_Count	0
14078850	Covalent_Unit_Count	1
63935844	Rotatable_Bond_Count	1
77971	Covalent_Unit_Count	1
22035328	Defined_Bond_Stereo_Count	0
6437850	Covalent_Unit_Count	1
87820	Structure_Complexity	206
12286866	TPSA	33
89143843	Mono_Isotopic_Weight	110.084398327
9835303	Undefined_Atom_Stereo_Count	0
135347950	Defined_Atom_Stereo_Count	0
87349895	TPSA	60.7
57396607	Molecular_Weight	465.5
25015677	Undefined_Atom_Stereo_Count	0
131751341	Molecular_Weight	513.5
24181099	Exact_Mass	490.99433960
16693	Mono_Isotopic_Weight	187.9795702
1355	Mono_Isotopic_Weight	196.0767261
19782039	Isotope_Atom_Count	0
20190619	Isotope_Atom_Count	0
11954319	Covalent_Unit_Count	2
6881	Structure_Complexity	308
56205	Defined_Bond_Stereo_Count	0
2816578	Hydrogen_Bond_Acceptor_Count	5
637796	Defined_Bond_Stereo_Count	1
11215	Hydrogen_Bond_Donor_Count	0
22456671	Total_Formal_Charge	0
140920	TPSA	53.2
12020	Rotatable_Bond_Count	2
735833	Exact_Mass	166.04300762
57327016	Exact_Mass	784.27781479
2016	Non-hydrogen_Atom_Count	17
661122	Exact_Mass	293.16404563
162918373	Exact_Mass	1201.84136802
123923329	Rotatable_Bond_Count	13
81110	Structure_Complexity	171
5284607	Rotatable_Bond_Count	14
1598	Defined_Atom_Stereo_Count	0
63958	Isotope_Atom_Count	0
79784	Total_Formal_Charge	0
439282	Undefined_Bond_Stereo_Count	0
11137101	Exact_Mass	99.068413911
12553930	Defined_Atom_Stereo_Count	0
24643	Defined_Atom_Stereo_Count	0
52038	Rotatable_Bond_Count	6
134688093	Isotope_Atom_Count	0
19161	Total_Formal_Charge	0
16214946	XLogP3-AA	4.5
23599753	Non-hydrogen_Atom_Count	7
68583	Non-hydrogen_Atom_Count	36
135565635	Hydrogen_Bond_Acceptor_Count	5
5383	Structure_Complexity	241
20848	Mono_Isotopic_Weight	345.09945651
16219471	Rotatable_Bond_Count	2
25323	Tautomer_Count	19
62932	Total_Formal_Charge	0
62739	TPSA	65.7
14846	Hydrogen_Bond_Acceptor_Count	2
76658	Exact_Mass	182.05790880
23677992	Structure_Complexity	932
56955181	Mono_Isotopic_Weight	350.178298710
90993	Undefined_Bond_Stereo_Count	0
64722	Exact_Mass	345.1317986
77084	Defined_Atom_Stereo_Count	0
18340	Rotatable_Bond_Count	6
11635763	Undefined_Atom_Stereo_Count	1
6017	Hydrogen_Bond_Donor_Count	0
18952320	Hydrogen_Bond_Acceptor_Count	1
96670	TPSA	50.4
3566770	Defined_Bond_Stereo_Count	0
124762104	TPSA	190
8948	Non-hydrogen_Atom_Count	5
13184	Covalent_Unit_Count	1
5463907	Undefined_Bond_Stereo_Count	0
10202381	Exact_Mass	421.23409708
8641	Non-hydrogen_Atom_Count	14
572065	Isotope_Atom_Count	0
6518168	Mono_Isotopic_Weight	1134.3697639
22812306	Hydrogen_Bond_Acceptor_Count	1
53897	Rotatable_Bond_Count	5
647840	Hydrogen_Bond_Acceptor_Count	6
9234	Defined_Bond_Stereo_Count	0
1721	Mono_Isotopic_Weight	290.11140092
82505	Defined_Bond_Stereo_Count	0
12920383	Defined_Atom_Stereo_Count	0
539061	XLogP3	0.8
90800669	Rotatable_Bond_Count	1
123537454	XLogP3-AA	2.1
5281006	Undefined_Bond_Stereo_Count	0
124526411	Hydrogen_Bond_Donor_Count	8
63686	Structure_Complexity	664
67229	Tautomer_Count	1
67704	Tautomer_Count	2
16047027	Hydrogen_Bond_Donor_Count	5
117265544	Covalent_Unit_Count	1
3085106	Molecular_Weight	564.0
44392161	Non-hydrogen_Atom_Count	34
59330719	Undefined_Bond_Stereo_Count	0
208832	Undefined_Bond_Stereo_Count	0
36781	Non-hydrogen_Atom_Count	14
5726	Undefined_Bond_Stereo_Count	0
4583824	Exact_Mass	185.060254526
219399	Molecular_Weight	100.12
5175	TPSA	54.6
71508542	Covalent_Unit_Count	1
141093	Undefined_Atom_Stereo_Count	0
115116	Hydrogen_Bond_Acceptor_Count	3
102446	Non-hydrogen_Atom_Count	5
11177439	Hydrogen_Bond_Donor_Count	4
21691039	Defined_Atom_Stereo_Count	0
23349319	Rotatable_Bond_Count	3
3389	Defined_Atom_Stereo_Count	0
66747531	Isotope_Atom_Count	0
72978296	Undefined_Bond_Stereo_Count	0
356896	Undefined_Atom_Stereo_Count	0
55290981	Structure_Complexity	121
12817963	Covalent_Unit_Count	1
95946	Isotope_Atom_Count	0
14475	Isotope_Atom_Count	0
12541465	Molecular_Weight	166.60
23080684	Covalent_Unit_Count	1
15276695	Molecular_Weight	99.13
70689792	Undefined_Bond_Stereo_Count	0
16002	Defined_Bond_Stereo_Count	0
6437859	Mono_Isotopic_Weight	224.1080262
2088	Tautomer_Count	1
29809	Defined_Bond_Stereo_Count	0
11657	Non-hydrogen_Atom_Count	4
53846421	TPSA	60.7
69762	Covalent_Unit_Count	1
76	Structure_Complexity	508
76336793	Structure_Complexity	756
150994	Structure_Complexity	183
91414	Rotatable_Bond_Count	2
21718278	Exact_Mass	111.079647300
146157727	Isotope_Atom_Count	0
41092	Defined_Atom_Stereo_Count	0
261555	Total_Formal_Charge	0
226102	Undefined_Atom_Stereo_Count	0
135436537	Molecular_Weight	431.4
135985126	Isotope_Atom_Count	0
77311	Covalent_Unit_Count	2
24848260	TPSA	54.1
153270	Tautomer_Count	48
15619838	Hydrogen_Bond_Acceptor_Count	2
450050	Covalent_Unit_Count	3
70810	XLogP3	1.2
60196281	Tautomer_Count	28
54580844	Isotope_Atom_Count	0
95946	Defined_Bond_Stereo_Count	0
11957587	Defined_Atom_Stereo_Count	20
14872976	Undefined_Bond_Stereo_Count	0
933147	Undefined_Atom_Stereo_Count	0
10931378	Undefined_Bond_Stereo_Count	0
59665407	Isotope_Atom_Count	0
32698	Defined_Atom_Stereo_Count	0
20347	Rotatable_Bond_Count	3
12358497	Total_Formal_Charge	0
8427	Mono_Isotopic_Weight	233.9850495
2386	Total_Formal_Charge	2
79297905	Defined_Bond_Stereo_Count	0
12634653	Total_Formal_Charge	0
66007	Rotatable_Bond_Count	5
26361	Total_Formal_Charge	0
10454	XLogP3-AA	1.3
9106	Rotatable_Bond_Count	0
104967	Mono_Isotopic_Weight	132.90545196
112322	Molecular_Weight	155.24
12766	Tautomer_Count	1
14022509	Molecular_Weight	233.30
123805	TPSA	380
408511	Hydrogen_Bond_Acceptor_Count	4
70694228	Undefined_Atom_Stereo_Count	0
556836	Hydrogen_Bond_Acceptor_Count	1
444025	Covalent_Unit_Count	1
13810450	Rotatable_Bond_Count	0
322	Non-hydrogen_Atom_Count	12
6374	Non-hydrogen_Atom_Count	4
10457387	Structure_Complexity	462
3793	Structure_Complexity	1120
63959	Defined_Atom_Stereo_Count	0
10857507	Hydrogen_Bond_Donor_Count	6
774599	XLogP3-AA	2.7
2170	Rotatable_Bond_Count	1
250716	Rotatable_Bond_Count	2
21998212	Structure_Complexity	91.7
69938	Hydrogen_Bond_Donor_Count	0
138040	Mono_Isotopic_Weight	71.086075351
134436906	Structure_Complexity	885
71515	Exact_Mass	176.143924578
88371993	Defined_Bond_Stereo_Count	0
96147	Hydrogen_Bond_Acceptor_Count	6
6708773	Hydrogen_Bond_Acceptor_Count	4
11508600	Hydrogen_Bond_Donor_Count	3
2604	Non-hydrogen_Atom_Count	20
103535	Defined_Bond_Stereo_Count	0
56678999	Isotope_Atom_Count	0
208925	Total_Formal_Charge	0
54686843	Total_Formal_Charge	0
69627068	Structure_Complexity	78.4
30959	Rotatable_Bond_Count	7
16158473	Isotope_Atom_Count	0
448042	Isotope_Atom_Count	0
68681268	Total_Formal_Charge	0
295275	Defined_Bond_Stereo_Count	0
59630744	TPSA	0
41779	Isotope_Atom_Count	0
8330	Hydrogen_Bond_Acceptor_Count	2
21439	Non-hydrogen_Atom_Count	9
166585863	Covalent_Unit_Count	1
134129703	Structure_Complexity	1700
54036153	Undefined_Atom_Stereo_Count	0
16051971	Rotatable_Bond_Count	9
738	Molecular_Weight	146.14
58247571	Undefined_Bond_Stereo_Count	0
517000	Exact_Mass	388.07290741
3038501	Undefined_Atom_Stereo_Count	0
71458922	Mono_Isotopic_Weight	462.27432435
67619	Molecular_Weight	206.06
5281576	Tautomer_Count	111
135348034	Isotope_Atom_Count	0
71406	Non-hydrogen_Atom_Count	41
21893333	Isotope_Atom_Count	0
6445230	Non-hydrogen_Atom_Count	35
10008	Undefined_Bond_Stereo_Count	0
108156	Tautomer_Count	1
62238	Total_Formal_Charge	0
96568	Structure_Complexity	216
2136	Structure_Complexity	336
1201546	Molecular_Weight	133.20
5281035	Undefined_Bond_Stereo_Count	0
10201497	Undefined_Atom_Stereo_Count	0
164513759	Defined_Atom_Stereo_Count	0
88314418	Non-hydrogen_Atom_Count	29
802	Isotope_Atom_Count	0
12480891	TPSA	3.2
14527402	Molecular_Weight	114.19
42613186	Isotope_Atom_Count	0
14344952	Defined_Bond_Stereo_Count	0
10898650	Hydrogen_Bond_Donor_Count	0
2450	Covalent_Unit_Count	1
1672	Undefined_Bond_Stereo_Count	0
100984821	Hydrogen_Bond_Donor_Count	5
491728	Structure_Complexity	553
134826477	Molecular_Weight	765.5
69060	Undefined_Bond_Stereo_Count	0
140047825	Total_Formal_Charge	0
72199432	Mono_Isotopic_Weight	581.27976659
2296	Mono_Isotopic_Weight	491.20563565
16685	Covalent_Unit_Count	1
22505043	Defined_Atom_Stereo_Count	0
56841628	TPSA	170
1966	Rotatable_Bond_Count	19
75806	Molecular_Weight	280.4
2188	Defined_Bond_Stereo_Count	0
65700	Undefined_Bond_Stereo_Count	0
153903	Molecular_Weight	110.11
38881	Defined_Atom_Stereo_Count	0
72165	Molecular_Weight	284.35
75312	Isotope_Atom_Count	0
10176084	Isotope_Atom_Count	0
523224	Rotatable_Bond_Count	0
6541	Rotatable_Bond_Count	8
14913584	XLogP3-AA	0.8
57656833	Non-hydrogen_Atom_Count	28
18956015	Non-hydrogen_Atom_Count	8
1481	Undefined_Atom_Stereo_Count	1
13236258	Total_Formal_Charge	0
585	Defined_Bond_Stereo_Count	0
20200448	Undefined_Bond_Stereo_Count	0
53965310	Isotope_Atom_Count	0
69503325	Total_Formal_Charge	0
19954	Hydrogen_Bond_Acceptor_Count	4
21910000	Total_Formal_Charge	0
23662369	Defined_Atom_Stereo_Count	0
107983	Molecular_Weight	144.12
486	Mono_Isotopic_Weight	184.06435410
165653078	Isotope_Atom_Count	0
84078	Rotatable_Bond_Count	8
16217852	Non-hydrogen_Atom_Count	9
14711688	Structure_Complexity	76.6
413520	Hydrogen_Bond_Donor_Count	0
10284	Defined_Atom_Stereo_Count	0
665387	Rotatable_Bond_Count	1
85546	Undefined_Atom_Stereo_Count	0
705388	XLogP3-AA	3.8
3416433	Hydrogen_Bond_Acceptor_Count	2
89353	Total_Formal_Charge	0
9837916	Defined_Atom_Stereo_Count	1
13574952	Molecular_Weight	118.13
10680	Molecular_Weight	222.24
21942990	XLogP3	0.2
44571224	Undefined_Bond_Stereo_Count	0
82452	Defined_Atom_Stereo_Count	0
123783729	Isotope_Atom_Count	0
71315012	Defined_Bond_Stereo_Count	2
11170867	Tautomer_Count	1000
5225092	Undefined_Bond_Stereo_Count	0
8204	Covalent_Unit_Count	1
132201306	Rotatable_Bond_Count	15
69016240	Structure_Complexity	229
2215	Hydrogen_Bond_Donor_Count	2
45934203	Rotatable_Bond_Count	9
104973	Defined_Atom_Stereo_Count	0
66559017	Molecular_Weight	389.3
54343	Molecular_Weight	353.8
75645	Undefined_Atom_Stereo_Count	0
2752638	Non-hydrogen_Atom_Count	13
34591	Defined_Bond_Stereo_Count	0
16740	Hydrogen_Bond_Acceptor_Count	4
261591	Undefined_Bond_Stereo_Count	0
59082722	Undefined_Bond_Stereo_Count	0
15037	Molecular_Weight	147.17
71825	Defined_Bond_Stereo_Count	0
1551136	Undefined_Bond_Stereo_Count	0
9259	Molecular_Weight	80.09
314282	Hydrogen_Bond_Donor_Count	1
71322980	Exact_Mass	116.083729621
15757501	Hydrogen_Bond_Donor_Count	0
72450871	XLogP3-AA	1.1
11341	Hydrogen_Bond_Acceptor_Count	2
14013	Mono_Isotopic_Weight	79.026943022
7483	Molecular_Weight	152.15
398579	Undefined_Atom_Stereo_Count	0
7518	TPSA	32.3
632	Hydrogen_Bond_Donor_Count	2
2666	Defined_Bond_Stereo_Count	0
448513	XLogP3	0.4
55472	Molecular_Weight	837.0
541087	Undefined_Atom_Stereo_Count	3
24840945	Mono_Isotopic_Weight	127.099714038
133264	Total_Formal_Charge	0
135451068	Covalent_Unit_Count	1
134497	Defined_Bond_Stereo_Count	0
23663976	Tautomer_Count	1
123237074	Undefined_Atom_Stereo_Count	1
103079114	Molecular_Weight	113.12
91820194	Structure_Complexity	283
443311	Structure_Complexity	680
5282198	Undefined_Atom_Stereo_Count	0
129846869	Isotope_Atom_Count	0
9956127	XLogP3-AA	4.6
39095	Exact_Mass	321.0767857
87279974	Undefined_Atom_Stereo_Count	0
15887890	Defined_Bond_Stereo_Count	0
5977	Mono_Isotopic_Weight	175.956248
12059921	Undefined_Bond_Stereo_Count	0
55748	Mono_Isotopic_Weight	280.07355886
217	Mono_Isotopic_Weight	299.00722369
136502787	Defined_Atom_Stereo_Count	0
48080	Defined_Bond_Stereo_Count	0
70240	TPSA	100
111032	Hydrogen_Bond_Donor_Count	0
344693	Mono_Isotopic_Weight	226.099379685
4692287	Exact_Mass	344.23514488
10953443	Undefined_Atom_Stereo_Count	0
503760	Isotope_Atom_Count	0
77687	Undefined_Bond_Stereo_Count	0
12830097	Rotatable_Bond_Count	4
13348970	TPSA	67.2
564996	TPSA	26.3
15606	Isotope_Atom_Count	0
123264207	Undefined_Atom_Stereo_Count	0
446201	Undefined_Atom_Stereo_Count	0
750190	TPSA	78.2
6441712	Hydrogen_Bond_Donor_Count	4
4714967	XLogP3	2.8
99486	Structure_Complexity	873
16111	Exact_Mass	281.09292838
19935256	Exact_Mass	99.043261792
54169757	Mono_Isotopic_Weight	120.04225873
14965861	Covalent_Unit_Count	1
3036703	Isotope_Atom_Count	0
54789	Tautomer_Count	1
46202081	Covalent_Unit_Count	1
12538241	Hydrogen_Bond_Acceptor_Count	3
1549517	Hydrogen_Bond_Acceptor_Count	1
17739	Mono_Isotopic_Weight	166.099379685
442027	Defined_Bond_Stereo_Count	0
13111185	TPSA	26.3
22962	Tautomer_Count	2
54418364	Undefined_Atom_Stereo_Count	1
443118	Total_Formal_Charge	0
96396	Structure_Complexity	205
78747	Molecular_Weight	95.10
6014	Mono_Isotopic_Weight	320.1113975
5283731	TPSA	40.5
86017	Undefined_Bond_Stereo_Count	0
42094	Undefined_Atom_Stereo_Count	1
12529300	Molecular_Weight	97.12
21715587	Defined_Atom_Stereo_Count	0
55285	XLogP3-AA	4.9
84420187	Rotatable_Bond_Count	1
105024	Exact_Mass	196.99550
13573329	Total_Formal_Charge	0
6603856	Undefined_Atom_Stereo_Count	0
22817455	Undefined_Bond_Stereo_Count	0
7945	Undefined_Atom_Stereo_Count	0
32881	Covalent_Unit_Count	1
12270637	Total_Formal_Charge	0
139030973	Defined_Bond_Stereo_Count	0
70321834	Rotatable_Bond_Count	1
120508	Rotatable_Bond_Count	7
14723649	Hydrogen_Bond_Donor_Count	0
21770	TPSA	17.8
3635	TPSA	77.9
815863	Defined_Atom_Stereo_Count	0
138961	Undefined_Bond_Stereo_Count	0
3915	Structure_Complexity	681
13349549	Total_Formal_Charge	0
45138674	Hydrogen_Bond_Donor_Count	1
13514	Exact_Mass	159.924948
91563	Undefined_Atom_Stereo_Count	0
5273569	Defined_Atom_Stereo_Count	0
12889418	Exact_Mass	204.11234441
25199807	Defined_Bond_Stereo_Count	2
984396	Structure_Complexity	598
16129911	Structure_Complexity	2700
135438424	Structure_Complexity	1040
903698	Defined_Atom_Stereo_Count	0
55289911	Defined_Bond_Stereo_Count	0
31227	Covalent_Unit_Count	1
177084	Defined_Bond_Stereo_Count	0
74262	Hydrogen_Bond_Donor_Count	0
977	Rotatable_Bond_Count	0
7730	Non-hydrogen_Atom_Count	9
170231	Structure_Complexity	408
52949543	Total_Formal_Charge	0
544	Undefined_Atom_Stereo_Count	0
8970	Exact_Mass	334.21440943
96457	Molecular_Weight	117.11
121494123	Molecular_Weight	7165
19892314	Exact_Mass	363.19804835
1466	Undefined_Bond_Stereo_Count	0
94021	Mono_Isotopic_Weight	212.14124450
20725561	Undefined_Atom_Stereo_Count	0
6469	Molecular_Weight	261.36
20605391	Covalent_Unit_Count	1
59496876	Rotatable_Bond_Count	1
76609483	Hydrogen_Bond_Acceptor_Count	3
73673720	Defined_Bond_Stereo_Count	0
146487258	Structure_Complexity	92.5
37183	Exact_Mass	46.016712692
22227092	Exact_Mass	96.057514874
8013	Defined_Atom_Stereo_Count	0
92043128	Hydrogen_Bond_Donor_Count	1
6078	Mono_Isotopic_Weight	379.2026549
22160808	Non-hydrogen_Atom_Count	8
87203	Covalent_Unit_Count	1
59330719	Undefined_Atom_Stereo_Count	0
22507733	Covalent_Unit_Count	1
54077874	Hydrogen_Bond_Donor_Count	0
53373584	Undefined_Atom_Stereo_Count	0
590907	Rotatable_Bond_Count	0
11813918	Hydrogen_Bond_Donor_Count	9
56845452	Total_Formal_Charge	0
733076	Undefined_Atom_Stereo_Count	0
20146588	Undefined_Atom_Stereo_Count	0
436906	Isotope_Atom_Count	0
2079	Total_Formal_Charge	0
143342009	Structure_Complexity	115
4609	TPSA	76.6
11967617	TPSA	12
33630	Defined_Bond_Stereo_Count	0
58630	Undefined_Bond_Stereo_Count	0
14462	Exact_Mass	128.156500638
45039617	Covalent_Unit_Count	1
98633	Rotatable_Bond_Count	3
62580	Undefined_Bond_Stereo_Count	0
13085350	Isotope_Atom_Count	0
6473973	Non-hydrogen_Atom_Count	47
122081	Defined_Bond_Stereo_Count	0
631	Rotatable_Bond_Count	16
4876	Covalent_Unit_Count	1
71584165	Hydrogen_Bond_Acceptor_Count	6
10090208	Structure_Complexity	530
555192	Undefined_Atom_Stereo_Count	0
3281	Defined_Bond_Stereo_Count	0
72257	Tautomer_Count	3
2733	XLogP3	1.8
81421	Defined_Bond_Stereo_Count	0
262	Covalent_Unit_Count	1
132787	Exact_Mass	336.183778013
169573	Rotatable_Bond_Count	3
5280953	Hydrogen_Bond_Donor_Count	1
90225710	Isotope_Atom_Count	0
14020410	Undefined_Atom_Stereo_Count	2
6950578	Molecular_Weight	181.19
44257207	Covalent_Unit_Count	1
136183446	XLogP3-AA	5.4
29801	Hydrogen_Bond_Acceptor_Count	3
16133802	Structure_Complexity	6500
13924394	Molecular_Weight	112.13
73449854	Mono_Isotopic_Weight	636.15196282
131204	Hydrogen_Bond_Donor_Count	4
9898439	Isotope_Atom_Count	0
4527	Undefined_Atom_Stereo_Count	4
23087774	Undefined_Bond_Stereo_Count	0
16050553	TPSA	67.9
11788287	Molecular_Weight	116.16
7090	Defined_Atom_Stereo_Count	0
171227	Hydrogen_Bond_Acceptor_Count	1
3264	Defined_Atom_Stereo_Count	0
72000	Hydrogen_Bond_Acceptor_Count	8
9590	Undefined_Atom_Stereo_Count	0
12574	Non-hydrogen_Atom_Count	10
18766735	Isotope_Atom_Count	0
90478690	Rotatable_Bond_Count	6
5528	Isotope_Atom_Count	0
23625548	Defined_Bond_Stereo_Count	1
65335	Non-hydrogen_Atom_Count	18
5460389	Mono_Isotopic_Weight	167.03443370
78249	Defined_Atom_Stereo_Count	2
241	XLogP3	2.1
66711	Mono_Isotopic_Weight	238.134422523
53694476	Defined_Bond_Stereo_Count	0
23635364	Hydrogen_Bond_Acceptor_Count	2
105426996	Covalent_Unit_Count	1
2444	Hydrogen_Bond_Acceptor_Count	2
1745	Hydrogen_Bond_Donor_Count	2
52946966	Defined_Bond_Stereo_Count	0
128600	Isotope_Atom_Count	0
91069096	Structure_Complexity	129
23565353	Isotope_Atom_Count	0
6390	Mono_Isotopic_Weight	149.886454
48384	Hydrogen_Bond_Donor_Count	1
60840	Rotatable_Bond_Count	4
12873460	Total_Formal_Charge	0
57541295	Hydrogen_Bond_Donor_Count	1
54605501	Exact_Mass	497.21513732
314282	Exact_Mass	268.146329876
25058167	Defined_Bond_Stereo_Count	0
12456453	Hydrogen_Bond_Acceptor_Count	3
59330719	Defined_Atom_Stereo_Count	0
57417192	TPSA	231
76220109	Rotatable_Bond_Count	1
8785	Non-hydrogen_Atom_Count	11
5801	Tautomer_Count	7
1248527	Covalent_Unit_Count	1
4369233	Non-hydrogen_Atom_Count	18
5713	TPSA	106
5289159	Undefined_Bond_Stereo_Count	0
362413	Defined_Atom_Stereo_Count	1
5362460	XLogP3	2.7
225	Hydrogen_Bond_Acceptor_Count	2
31781	Exact_Mass	424.15557440
503737	Undefined_Bond_Stereo_Count	0
91280177	TPSA	0
20270668	Hydrogen_Bond_Acceptor_Count	1
70678590	Molecular_Weight	1355.4
17904650	Isotope_Atom_Count	0
22976356	Non-hydrogen_Atom_Count	10
14502	Covalent_Unit_Count	1
132278564	Hydrogen_Bond_Acceptor_Count	7
8129	Molecular_Weight	116.20
140830181	Structure_Complexity	96
70754	Defined_Bond_Stereo_Count	0
11620055	Molecular_Weight	487.0
154489025	Isotope_Atom_Count	0
5310985	Non-hydrogen_Atom_Count	23
17945002	Undefined_Bond_Stereo_Count	0
21026	Isotope_Atom_Count	0
60195813	Structure_Complexity	434
46231497	Defined_Atom_Stereo_Count	0
16737690	Isotope_Atom_Count	0
154734215	Defined_Bond_Stereo_Count	0
4727	Hydrogen_Bond_Acceptor_Count	4
44229138	Structure_Complexity	317
81391	Undefined_Bond_Stereo_Count	0
85254	Molecular_Weight	107.07
12192	Hydrogen_Bond_Donor_Count	0
190816	TPSA	83.6
19526	Structure_Complexity	70.1
5288672	Undefined_Atom_Stereo_Count	0
144179158	TPSA	0
274082	Exact_Mass	548.12131415
25010556	Defined_Bond_Stereo_Count	0
91250151	XLogP3-AA	2.5
11829373	Undefined_Bond_Stereo_Count	0
77022	Mono_Isotopic_Weight	193.93410
138593	XLogP3-AA	3
57461895	Hydrogen_Bond_Donor_Count	2
6436138	Mono_Isotopic_Weight	424.0938327
188414	Total_Formal_Charge	0
83694167	TPSA	12
27866	Defined_Bond_Stereo_Count	0
5273569	Undefined_Atom_Stereo_Count	0
71391	Undefined_Bond_Stereo_Count	0
13641	Defined_Bond_Stereo_Count	0
73353577	Defined_Bond_Stereo_Count	0
68321947	Undefined_Atom_Stereo_Count	1
136444	Exact_Mass	102.068079557
16682738	TPSA	52.6
1646	Defined_Bond_Stereo_Count	0
4186	XLogP3-AA	8.6
11562233	Total_Formal_Charge	0
135413553	Non-hydrogen_Atom_Count	21
37467	Hydrogen_Bond_Acceptor_Count	2
21252905	Isotope_Atom_Count	0
15787	Non-hydrogen_Atom_Count	18
10895	Covalent_Unit_Count	1
6972	Undefined_Atom_Stereo_Count	0
126755973	Hydrogen_Bond_Acceptor_Count	2
79	Defined_Atom_Stereo_Count	0
694146	Total_Formal_Charge	0
92058	Molecular_Weight	186.29
123911014	Undefined_Atom_Stereo_Count	0
448601	Defined_Bond_Stereo_Count	0
800	Defined_Bond_Stereo_Count	0
9801640	Covalent_Unit_Count	1
24891699	TPSA	80.2
9864202	Total_Formal_Charge	0
11482181	Defined_Bond_Stereo_Count	0
13647	Rotatable_Bond_Count	1
144381	Non-hydrogen_Atom_Count	10
46780884	Total_Formal_Charge	0
57303	Tautomer_Count	2
70321834	Hydrogen_Bond_Acceptor_Count	3
146157396	Rotatable_Bond_Count	17
12242815	Non-hydrogen_Atom_Count	11
165675	Covalent_Unit_Count	1
5047019	Defined_Atom_Stereo_Count	0
11083476	Defined_Atom_Stereo_Count	8
542305	Exact_Mass	118.099379685
10219384	Non-hydrogen_Atom_Count	5
66950	Defined_Atom_Stereo_Count	0
15747657	Defined_Bond_Stereo_Count	0
805985	Non-hydrogen_Atom_Count	23
639662	Molecular_Weight	98.19
33514	Defined_Bond_Stereo_Count	0
25435	Exact_Mass	526.28768825
71580822	Rotatable_Bond_Count	5
208922	XLogP3-AA	4
22603659	Undefined_Bond_Stereo_Count	0
6464	Rotatable_Bond_Count	3
58258	Structure_Complexity	608
3731	Rotatable_Bond_Count	10
23635314	Defined_Bond_Stereo_Count	0
10942665	Hydrogen_Bond_Donor_Count	0
11829372	Non-hydrogen_Atom_Count	7
12933341	Isotope_Atom_Count	0
3928	XLogP3	0.2
3392731	Hydrogen_Bond_Donor_Count	2
3404326	Exact_Mass	209.05875492
89159	Exact_Mass	208.07355886
68255	Non-hydrogen_Atom_Count	9
20350152	XLogP3-AA	0.6
546717	Covalent_Unit_Count	2
34885	Hydrogen_Bond_Donor_Count	0
9774	XLogP3	0.7
5807	Exact_Mass	247.0975211
4126474	Undefined_Atom_Stereo_Count	0
23268532	Defined_Bond_Stereo_Count	0
139077515	Hydrogen_Bond_Donor_Count	4
73415830	Molecular_Weight	360.56
123550154	Structure_Complexity	562
147983909	Hydrogen_Bond_Acceptor_Count	2
30251	Mono_Isotopic_Weight	283.0894550
165600653	Isotope_Atom_Count	0
2083	Hydrogen_Bond_Donor_Count	4
23678874	Undefined_Bond_Stereo_Count	0
14690973	Tautomer_Count	1
71960	Defined_Atom_Stereo_Count	10
132850502	Hydrogen_Bond_Donor_Count	2
68547	Isotope_Atom_Count	0
5275508	Total_Formal_Charge	0
135564890	Undefined_Atom_Stereo_Count	0
134826477	Non-hydrogen_Atom_Count	49
58492	Hydrogen_Bond_Donor_Count	2
102592515	Hydrogen_Bond_Acceptor_Count	2
101574147	Undefined_Atom_Stereo_Count	0
2724505	TPSA	63.3
53322429	Covalent_Unit_Count	1
15084875	Defined_Bond_Stereo_Count	0
6456015	Hydrogen_Bond_Donor_Count	6
2582	Rotatable_Bond_Count	5
954443	Mono_Isotopic_Weight	291.0581549
408714	Undefined_Atom_Stereo_Count	1
408	Isotope_Atom_Count	0
13469816	Covalent_Unit_Count	1
5742590	XLogP3-AA	7.7
1549103	Covalent_Unit_Count	1
11304	Structure_Complexity	132
7811	Total_Formal_Charge	0
85764696	Covalent_Unit_Count	1
139066803	Mono_Isotopic_Weight	440.20009678
44392111	Exact_Mass	485.26784199
27941	Undefined_Bond_Stereo_Count	0
54337282	Defined_Bond_Stereo_Count	0
25027363	Mono_Isotopic_Weight	504.33856457
591	Structure_Complexity	1570
31218	Exact_Mass	426.37091007
20847	Non-hydrogen_Atom_Count	24
14106676	Molecular_Weight	114.14
85760873	XLogP3-AA	2.2
23723027	Structure_Complexity	121
15084311	Defined_Bond_Stereo_Count	0
54961	Hydrogen_Bond_Donor_Count	0
2228691	Hydrogen_Bond_Acceptor_Count	5
68678	Undefined_Bond_Stereo_Count	0
88901652	TPSA	38.7
52941462	Hydrogen_Bond_Donor_Count	1
33886	Isotope_Atom_Count	0
24456	Covalent_Unit_Count	5
127995	Tautomer_Count	1
1444	Defined_Atom_Stereo_Count	0
26945	Undefined_Bond_Stereo_Count	0
14968895	Rotatable_Bond_Count	3
30185	Hydrogen_Bond_Acceptor_Count	16
49866693	Undefined_Atom_Stereo_Count	0
11815	Isotope_Atom_Count	0
54676884	Covalent_Unit_Count	1
61285	Mono_Isotopic_Weight	227.09799996
23387261	Molecular_Weight	112.17
64934	TPSA	221
10431444	Molecular_Weight	406.4
77687	Undefined_Atom_Stereo_Count	0
41170	Tautomer_Count	1
29773	Undefined_Bond_Stereo_Count	1
21343371	Covalent_Unit_Count	1
11326	Covalent_Unit_Count	1
11294	Undefined_Atom_Stereo_Count	0
137379058	Molecular_Weight	254.4
46240	TPSA	41.9
17001	Rotatable_Bond_Count	6
8711	Defined_Atom_Stereo_Count	0
75538	Total_Formal_Charge	0
6108	Exact_Mass	167.02185764
5706752	Undefined_Atom_Stereo_Count	0
17522	Molecular_Weight	243.22
37890	Rotatable_Bond_Count	3
9952396	Mono_Isotopic_Weight	391.24710654
75050	Exact_Mass	314.318480578
24848330	Exact_Mass	329.18651766
73154880	Undefined_Bond_Stereo_Count	0
9359	Hydrogen_Bond_Acceptor_Count	0
573598	Undefined_Atom_Stereo_Count	0
11365506	Undefined_Atom_Stereo_Count	0
456389	Covalent_Unit_Count	1
376375	Covalent_Unit_Count	1
16627	Undefined_Atom_Stereo_Count	0
6169	Mono_Isotopic_Weight	390.1710204
32719	Tautomer_Count	1
13698369	Undefined_Bond_Stereo_Count	0
22817455	Undefined_Atom_Stereo_Count	0
87592747	XLogP3-AA	0.6
292661	Rotatable_Bond_Count	0
141201	Hydrogen_Bond_Donor_Count	0
6922	Hydrogen_Bond_Donor_Count	1
13860942	TPSA	64.6
49865972	XLogP3-AA	3.6
52940942	TPSA	77.2
66683198	Non-hydrogen_Atom_Count	24
16653	Mono_Isotopic_Weight	187.10308534
29625	Defined_Bond_Stereo_Count	0
136086851	Covalent_Unit_Count	2
40973	Isotope_Atom_Count	0
81762	Covalent_Unit_Count	1
15752282	Mono_Isotopic_Weight	111.068413911
9866186	TPSA	57.5
23690996	Non-hydrogen_Atom_Count	8
11574	Hydrogen_Bond_Acceptor_Count	0
71880	XLogP3-AA	2.6
9817140	XLogP3-AA	3.1
635	Covalent_Unit_Count	1
10683	Tautomer_Count	2
53077	TPSA	23.5
8069	Rotatable_Bond_Count	2
50294	Hydrogen_Bond_Donor_Count	2
67628	Hydrogen_Bond_Donor_Count	0
69333956	Non-hydrogen_Atom_Count	8
89446525	Structure_Complexity	180
22924775	TPSA	80.3
3400	XLogP3	3
16219567	Molecular_Weight	342.30
7098617	Structure_Complexity	382
32817	Total_Formal_Charge	0
25154714	Defined_Atom_Stereo_Count	4
12940701	Hydrogen_Bond_Acceptor_Count	5
90997437	Rotatable_Bond_Count	6
126970904	Defined_Atom_Stereo_Count	0
2795	Covalent_Unit_Count	1
33474	Hydrogen_Bond_Acceptor_Count	3
24646	Total_Formal_Charge	0
14866361	Defined_Atom_Stereo_Count	0
11625818	TPSA	99.2
56842796	Non-hydrogen_Atom_Count	19
143588	TPSA	0
12303048	Isotope_Atom_Count	0
447815	XLogP3-AA	2
97736	Exact_Mass	239.094628657
31953	Undefined_Atom_Stereo_Count	0
448400	Molecular_Weight	248.11
26068	Hydrogen_Bond_Donor_Count	1
162652	Tautomer_Count	1
77529	Covalent_Unit_Count	1
25780	Undefined_Atom_Stereo_Count	0
17131	Defined_Atom_Stereo_Count	0
141096113	Isotope_Atom_Count	0
1235	Total_Formal_Charge	0
134129858	Hydrogen_Bond_Acceptor_Count	7
11454	Undefined_Atom_Stereo_Count	1
35876	Rotatable_Bond_Count	2
9871420	XLogP3-AA	3
49843517	XLogP3-AA	7.7
82141	Tautomer_Count	1
54758035	Molecular_Weight	490.6
75576	Rotatable_Bond_Count	2
4343	Covalent_Unit_Count	1
57392965	Hydrogen_Bond_Acceptor_Count	7
11294	Defined_Atom_Stereo_Count	0
49389	Exact_Mass	273.0556563
66425	Undefined_Atom_Stereo_Count	0
13443454	Structure_Complexity	84.2
62580	Undefined_Atom_Stereo_Count	0
67452149	Rotatable_Bond_Count	0
294864	Defined_Atom_Stereo_Count	0
15951	Hydrogen_Bond_Acceptor_Count	5
5280378	TPSA	55.8
59704100	XLogP3-AA	0.4
954	Defined_Atom_Stereo_Count	0
179338	Defined_Bond_Stereo_Count	0
28048	Hydrogen_Bond_Donor_Count	0
6604866	Non-hydrogen_Atom_Count	22
246724	Total_Formal_Charge	0
82143	Structure_Complexity	316
57497484	Exact_Mass	324.183778013
39094	Total_Formal_Charge	0
602731	Isotope_Atom_Count	0
60196441	XLogP3-AA	6.5
13817	Defined_Atom_Stereo_Count	0
397	Undefined_Bond_Stereo_Count	0
1422	Non-hydrogen_Atom_Count	27
21359608	Rotatable_Bond_Count	1
98365	Undefined_Bond_Stereo_Count	0
19101063	Defined_Atom_Stereo_Count	0
9142	Total_Formal_Charge	0
17071	TPSA	20.3
323180	Hydrogen_Bond_Acceptor_Count	3
123570	Defined_Bond_Stereo_Count	0
12302694	Defined_Bond_Stereo_Count	0
61141	Hydrogen_Bond_Donor_Count	0
12592	Molecular_Weight	338.7
12715	Defined_Atom_Stereo_Count	0
11116296	Isotope_Atom_Count	0
11661757	Structure_Complexity	529
551240	Covalent_Unit_Count	1
11159305	Mono_Isotopic_Weight	110.073164938
54942	TPSA	50.8
123147	Rotatable_Bond_Count	0
81923	Exact_Mass	128.083729621
23624131	Isotope_Atom_Count	0
62413	TPSA	6.5
5054	Defined_Bond_Stereo_Count	0
25273609	Defined_Bond_Stereo_Count	0
67214459	Total_Formal_Charge	0
5424	Hydrogen_Bond_Acceptor_Count	6
143683872	Defined_Atom_Stereo_Count	0
10931394	Mono_Isotopic_Weight	112.063662883
68551	Hydrogen_Bond_Donor_Count	1
12873460	Isotope_Atom_Count	0
6450830	Rotatable_Bond_Count	8
140152869	Hydrogen_Bond_Donor_Count	1
9835303	Defined_Atom_Stereo_Count	7
5282037	TPSA	123
143917	Molecular_Weight	92.14
11633038	Isotope_Atom_Count	0
87905888	Covalent_Unit_Count	1
10329273	Defined_Bond_Stereo_Count	0
11427975	Covalent_Unit_Count	1
43116	Hydrogen_Bond_Acceptor_Count	14
49862460	Mono_Isotopic_Weight	372.18714931
53724680	Defined_Atom_Stereo_Count	0
70563	Mono_Isotopic_Weight	283.1339066
30858	Undefined_Bond_Stereo_Count	0
607248	Exact_Mass	196.0015103
50989756	Defined_Atom_Stereo_Count	0
67233953	Isotope_Atom_Count	0
3082780	TPSA	32.3
130002904	Hydrogen_Bond_Acceptor_Count	2
127612	Isotope_Atom_Count	0
631271	Mono_Isotopic_Weight	344.10956770
2153	Structure_Complexity	267
2733294	Hydrogen_Bond_Donor_Count	0
447587	Total_Formal_Charge	0
91851108	Total_Formal_Charge	0
25572	Defined_Bond_Stereo_Count	0
6326976	Non-hydrogen_Atom_Count	7
18156	Hydrogen_Bond_Donor_Count	0
69504120	Defined_Atom_Stereo_Count	0
6780	TPSA	34.1
40839	Defined_Atom_Stereo_Count	9
9984488	Covalent_Unit_Count	1
84602	Hydrogen_Bond_Donor_Count	0
24825268	Isotope_Atom_Count	0
10307853	Covalent_Unit_Count	1
6947	Non-hydrogen_Atom_Count	10
37545	Covalent_Unit_Count	1
5948958	Non-hydrogen_Atom_Count	31
82528	Hydrogen_Bond_Donor_Count	0
13285535	Total_Formal_Charge	0
135565082	Exact_Mass	380.11971542
10715582	Isotope_Atom_Count	0
12579408	Exact_Mass	98.073164938
84531	Undefined_Atom_Stereo_Count	0
13046622	Undefined_Atom_Stereo_Count	0
39800	Rotatable_Bond_Count	0
14716	Hydrogen_Bond_Acceptor_Count	4
566032	Total_Formal_Charge	0
14454747	Defined_Bond_Stereo_Count	0
58391580	XLogP3-AA	0.7
16095400	Defined_Atom_Stereo_Count	0
5144	Total_Formal_Charge	0
115236	Molecular_Weight	315.39
8226	Undefined_Atom_Stereo_Count	0
1276	Mono_Isotopic_Weight	297.06709375
2733293	Covalent_Unit_Count	1
146683214	Total_Formal_Charge	0
9910975	Hydrogen_Bond_Acceptor_Count	12
755373	Molecular_Weight	276.29
5288033	Defined_Atom_Stereo_Count	0
67615455	Defined_Bond_Stereo_Count	0
4092621	XLogP3-AA	2.2
67233953	Defined_Bond_Stereo_Count	0
47897	Total_Formal_Charge	0
5702132	Non-hydrogen_Atom_Count	18
14862984	Total_Formal_Charge	0
36034	Non-hydrogen_Atom_Count	23
15004	Isotope_Atom_Count	0
17894357	XLogP3-AA	0.5
55105	Non-hydrogen_Atom_Count	17
65394	Undefined_Bond_Stereo_Count	0
289460	Hydrogen_Bond_Donor_Count	2
5288679	Rotatable_Bond_Count	6
135532964	Defined_Bond_Stereo_Count	0
25142172	Hydrogen_Bond_Acceptor_Count	3
22382373	TPSA	26.3
11715766	Defined_Bond_Stereo_Count	0
6323236	Structure_Complexity	1530
81749	Hydrogen_Bond_Donor_Count	2
22086	Defined_Atom_Stereo_Count	0
11418	Covalent_Unit_Count	1
73538	TPSA	67.5
221292	Structure_Complexity	116
56955286	Undefined_Bond_Stereo_Count	0
24266	Non-hydrogen_Atom_Count	7
6335436	Defined_Atom_Stereo_Count	4
23130216	Defined_Bond_Stereo_Count	0
56840781	Hydrogen_Bond_Acceptor_Count	8
73246	Hydrogen_Bond_Donor_Count	4
170366	Undefined_Atom_Stereo_Count	2
92277	Undefined_Bond_Stereo_Count	0
76192	Total_Formal_Charge	0
168299	Tautomer_Count	1
1470718	Defined_Atom_Stereo_Count	0
60196366	Undefined_Bond_Stereo_Count	0
573553	Hydrogen_Bond_Donor_Count	2
71402	Non-hydrogen_Atom_Count	30
180288	Hydrogen_Bond_Donor_Count	4
44119980	XLogP3-AA	7.5
6917857	Total_Formal_Charge	0
3921152	Defined_Atom_Stereo_Count	0
11857377	Structure_Complexity	313
124905	Defined_Bond_Stereo_Count	0
10197650	Structure_Complexity	11.1
13456556	Defined_Atom_Stereo_Count	0
44422	Defined_Atom_Stereo_Count	0
118104	Non-hydrogen_Atom_Count	8
117045887	Mono_Isotopic_Weight	95.073499291
249786	Defined_Atom_Stereo_Count	0
653145	Total_Formal_Charge	0
4735	Covalent_Unit_Count	1
66561	Non-hydrogen_Atom_Count	14
121489349	Molecular_Weight	2013.3
119085356	Covalent_Unit_Count	1
73364	Isotope_Atom_Count	0
7233	Covalent_Unit_Count	1
5486209	Exact_Mass	197.095297364
9868	Non-hydrogen_Atom_Count	5
33547	TPSA	101
709225	Defined_Bond_Stereo_Count	0
236487	Defined_Atom_Stereo_Count	0
91439	XLogP3-AA	6.5
46225290	Covalent_Unit_Count	1
5318386	Rotatable_Bond_Count	5
23278143	Undefined_Atom_Stereo_Count	0
139692	Non-hydrogen_Atom_Count	7
12797557	Total_Formal_Charge	0
13017912	TPSA	164
11006945	Defined_Bond_Stereo_Count	0
45116669	Hydrogen_Bond_Donor_Count	1
10264356	Total_Formal_Charge	0
88261	Defined_Bond_Stereo_Count	0
3559	Total_Formal_Charge	0
67511	Defined_Bond_Stereo_Count	0
578771	Undefined_Bond_Stereo_Count	0
12295520	Molecular_Weight	110.16
21364247	Undefined_Bond_Stereo_Count	0
522731	Hydrogen_Bond_Donor_Count	0
87106789	Undefined_Bond_Stereo_Count	0
28343	Tautomer_Count	1
77833	Structure_Complexity	350
71583494	Mono_Isotopic_Weight	413.18517499
181511	TPSA	40.5
23549397	Total_Formal_Charge	0
6943	Defined_Atom_Stereo_Count	0
70065832	Isotope_Atom_Count	0
12306686	TPSA	77.8
15535273	Non-hydrogen_Atom_Count	7
2676	XLogP3-AA	3.6
5622	Structure_Complexity	1260
12355883	Hydrogen_Bond_Acceptor_Count	8
628447	XLogP3-AA	2.8
73415798	Hydrogen_Bond_Acceptor_Count	20
93205	Tautomer_Count	3
6441264	Molecular_Weight	1076.4
4183883	Hydrogen_Bond_Donor_Count	0
12423177	Hydrogen_Bond_Acceptor_Count	2
132935795	Mono_Isotopic_Weight	199.10308534
129664338	Structure_Complexity	374
138107201	Structure_Complexity	756
825353	Total_Formal_Charge	0
10295970	Total_Formal_Charge	0
71414	Total_Formal_Charge	0
5499	Defined_Atom_Stereo_Count	0
97268	Hydrogen_Bond_Acceptor_Count	4
79076	Undefined_Atom_Stereo_Count	1
98051220	Mono_Isotopic_Weight	361.875716
46916280	Total_Formal_Charge	0
129812487	Structure_Complexity	83.6
443115	TPSA	184
2752588	Hydrogen_Bond_Donor_Count	1
23551594	Rotatable_Bond_Count	0
131749560	Exact_Mass	164.139901825
16220118	Non-hydrogen_Atom_Count	21
6918026	TPSA	401
444913	Non-hydrogen_Atom_Count	66
8376	Mono_Isotopic_Weight	227.01783489
902	Defined_Bond_Stereo_Count	0
16049087	Hydrogen_Bond_Acceptor_Count	7
642344	Hydrogen_Bond_Acceptor_Count	2
817623	Molecular_Weight	312.4
132274074	Molecular_Weight	1620.7
139078692	Defined_Atom_Stereo_Count	0
7241	Rotatable_Bond_Count	0
6427476	Total_Formal_Charge	0
23657860	Molecular_Weight	342.30
3014106	Hydrogen_Bond_Donor_Count	0
20093425	Defined_Bond_Stereo_Count	0
11398092	Non-hydrogen_Atom_Count	35
57874	Tautomer_Count	2
23675743	Undefined_Atom_Stereo_Count	0
126280	Undefined_Atom_Stereo_Count	0
26880	Covalent_Unit_Count	1
5281416	Undefined_Atom_Stereo_Count	0
533427	Molecular_Weight	92.10
3300	Molecular_Weight	290.36
42608159	Hydrogen_Bond_Acceptor_Count	0
11658655	XLogP3-AA	3
13838145	Defined_Atom_Stereo_Count	0
90657341	XLogP3	0.6
628181	Hydrogen_Bond_Donor_Count	1
45456	Undefined_Bond_Stereo_Count	0
3035235	Molecular_Weight	341.4
14949211	Undefined_Atom_Stereo_Count	0
135418587	Exact_Mass	86.02286070
48889	Undefined_Atom_Stereo_Count	0
5463858	Molecular_Weight	303.35
21450089	Hydrogen_Bond_Donor_Count	0
449215	TPSA	64.4
76883	XLogP3-AA	3
137184495	Structure_Complexity	714
140789	Defined_Atom_Stereo_Count	0
2383	Non-hydrogen_Atom_Count	9
45238	Undefined_Bond_Stereo_Count	0
71031	Mono_Isotopic_Weight	250.01222190
62708	Covalent_Unit_Count	2
62705	Structure_Complexity	31
131668508	TPSA	332
139061105	Total_Formal_Charge	0
10621	Non-hydrogen_Atom_Count	43
121891	Hydrogen_Bond_Acceptor_Count	3
118613234	Isotope_Atom_Count	0
5324810	Hydrogen_Bond_Acceptor_Count	3
141037332	Isotope_Atom_Count	0
21870	Total_Formal_Charge	0
6410734	Molecular_Weight	351.8
4140	Covalent_Unit_Count	1
2907	Non-hydrogen_Atom_Count	14
123755	Molecular_Weight	376.3
3529	Molecular_Weight	670.9
26945	Undefined_Atom_Stereo_Count	0
40442	Structure_Complexity	275
9812414	Rotatable_Bond_Count	10
21359608	Hydrogen_Bond_Acceptor_Count	3
30530	Rotatable_Bond_Count	3
12285873	Structure_Complexity	151
129628370	Rotatable_Bond_Count	0
11576068	Hydrogen_Bond_Acceptor_Count	4
10749156	Molecular_Weight	113.16
23009814	Total_Formal_Charge	0
5364759	Total_Formal_Charge	0
162413	Undefined_Bond_Stereo_Count	0
22149470	Mono_Isotopic_Weight	100.100048391
23674889	Hydrogen_Bond_Acceptor_Count	3
54584751	Hydrogen_Bond_Acceptor_Count	7
227541	TPSA	51.8
24892867	TPSA	43.1
54006055	Non-hydrogen_Atom_Count	18
85538	Isotope_Atom_Count	0
133562683	TPSA	289
102361739	Total_Formal_Charge	0
65820	TPSA	66.8
23642275	Rotatable_Bond_Count	2
19526	Rotatable_Bond_Count	1
1893	Total_Formal_Charge	0
13163973	Isotope_Atom_Count	0
17921988	Undefined_Atom_Stereo_Count	1
40602794	Molecular_Weight	170.08
87063833	Isotope_Atom_Count	0
6456	Tautomer_Count	1
7848	Exact_Mass	76.03467143
10564696	Defined_Bond_Stereo_Count	0
99456	Defined_Bond_Stereo_Count	0
129831062	Undefined_Atom_Stereo_Count	0
71526	Exact_Mass	307.17317627
16775060	Undefined_Bond_Stereo_Count	0
140568	Exact_Mass	94.078250319
97616695	XLogP3-AA	1.5
136733	Exact_Mass	149.99041897
6436015	Hydrogen_Bond_Donor_Count	0
18980	Isotope_Atom_Count	0
65238	Defined_Bond_Stereo_Count	0
6921840	Non-hydrogen_Atom_Count	12
44571147	Hydrogen_Bond_Acceptor_Count	8
64813	Hydrogen_Bond_Donor_Count	0
611370	Isotope_Atom_Count	0
129677105	Defined_Bond_Stereo_Count	0
57174031	Exact_Mass	284.152477885
26798	Non-hydrogen_Atom_Count	22
50515	TPSA	66.6
2037	Covalent_Unit_Count	1
45934213	Hydrogen_Bond_Acceptor_Count	16
5281437	Tautomer_Count	1
12959020	Rotatable_Bond_Count	0
136730	Mono_Isotopic_Weight	110.048012819
259751	Hydrogen_Bond_Acceptor_Count	4
1238	Mono_Isotopic_Weight	344.1113975
162955686	Total_Formal_Charge	0
1101	Non-hydrogen_Atom_Count	12
418587	TPSA	238
23657874	Defined_Atom_Stereo_Count	0
23968	Hydrogen_Bond_Donor_Count	0
3015773	Non-hydrogen_Atom_Count	7
46936190	Non-hydrogen_Atom_Count	23
13814	Tautomer_Count	3
25835	XLogP3-AA	7.5
108157	Tautomer_Count	1
526950	Mono_Isotopic_Weight	110.036779430
19211	Non-hydrogen_Atom_Count	12
69070	Rotatable_Bond_Count	0
20872204	Covalent_Unit_Count	1
11954316	Rotatable_Bond_Count	6
54608115	Isotope_Atom_Count	0
57396625	Total_Formal_Charge	0
456389	Undefined_Atom_Stereo_Count	1
68809	Undefined_Bond_Stereo_Count	0
16659841	Hydrogen_Bond_Acceptor_Count	8
49798481	Mono_Isotopic_Weight	432.19098865
118346510	Molecular_Weight	111.14
69065	Hydrogen_Bond_Donor_Count	2
69401	Covalent_Unit_Count	2
14919832	Defined_Atom_Stereo_Count	0
3325	Hydrogen_Bond_Donor_Count	4
71360	Isotope_Atom_Count	0
135398729	TPSA	134
11647679	Defined_Atom_Stereo_Count	0
25023837	Molecular_Weight	430.8
524214	Rotatable_Bond_Count	0
68321837	Exact_Mass	387.1149827
59111489	Structure_Complexity	415
386	Molecular_Weight	1062.1
76126	Isotope_Atom_Count	0
6919101	Structure_Complexity	73.1
23703990	Isotope_Atom_Count	0
417753	Non-hydrogen_Atom_Count	32
140152869	XLogP3-AA	1.1
5377793	Mono_Isotopic_Weight	268.121177757
148449100	Undefined_Atom_Stereo_Count	2
11332430	Isotope_Atom_Count	0
128229	Mono_Isotopic_Weight	822.40378589
5316860	Hydrogen_Bond_Acceptor_Count	9
11363	Undefined_Atom_Stereo_Count	0
10180182	Molecular_Weight	416.6
4020	Defined_Atom_Stereo_Count	0
11686295	Isotope_Atom_Count	0
12740469	Structure_Complexity	103
123610	Structure_Complexity	1520
95616	Structure_Complexity	618
11824	Mono_Isotopic_Weight	291.09675391
131954782	Exact_Mass	1348.60159125
54394834	Covalent_Unit_Count	1
69140538	TPSA	47.6
134688323	Defined_Bond_Stereo_Count	0
25271781	Rotatable_Bond_Count	4
53917786	Hydrogen_Bond_Donor_Count	1
177	Exact_Mass	44.026214747
72388	Total_Formal_Charge	0
5351548	TPSA	215
90498	Mono_Isotopic_Weight	84.068748264
443997	Rotatable_Bond_Count	4
629965	Defined_Atom_Stereo_Count	0
7862	Defined_Atom_Stereo_Count	0
48346	Covalent_Unit_Count	1
3939	Non-hydrogen_Atom_Count	2
24530	Mono_Isotopic_Weight	43.017047045
8122	Rotatable_Bond_Count	18
83805	TPSA	124
28839	Undefined_Bond_Stereo_Count	0
81080	Exact_Mass	254.15180918
3074	Undefined_Bond_Stereo_Count	0
5352133	Undefined_Bond_Stereo_Count	0
10491069	Defined_Bond_Stereo_Count	0
24351	Rotatable_Bond_Count	6
3141	TPSA	72.7
23441	TPSA	74.6
7986	Mono_Isotopic_Weight	314.24570956
543885	Defined_Bond_Stereo_Count	0
6432459	Structure_Complexity	432
12999933	Defined_Bond_Stereo_Count	0
1335	Tautomer_Count	1
156617908	Non-hydrogen_Atom_Count	23
2017	Structure_Complexity	312
25190761	XLogP3-AA	3.6
88318	Exact_Mass	87.104799419
56955070	Molecular_Weight	368.4
15595	Defined_Bond_Stereo_Count	0
58612101	Total_Formal_Charge	0
542372	Total_Formal_Charge	0
18713770	Hydrogen_Bond_Acceptor_Count	2
13134	Defined_Atom_Stereo_Count	0
11233	Non-hydrogen_Atom_Count	8
129814671	Total_Formal_Charge	0
9821690	Defined_Bond_Stereo_Count	0
9948	Defined_Bond_Stereo_Count	0
58562	Undefined_Bond_Stereo_Count	0
6931238	Hydrogen_Bond_Acceptor_Count	2
60195810	XLogP3-AA	1.2
3018598	Isotope_Atom_Count	0
7632	Non-hydrogen_Atom_Count	12
140789	Undefined_Atom_Stereo_Count	0
14759	Defined_Bond_Stereo_Count	0
24775	Total_Formal_Charge	0
22975832	Covalent_Unit_Count	1
136594	Tautomer_Count	1
78490	Undefined_Bond_Stereo_Count	0
67578175	Defined_Bond_Stereo_Count	0
32607	Non-hydrogen_Atom_Count	17
299801	Covalent_Unit_Count	1
18329551	Defined_Atom_Stereo_Count	0
522841	Hydrogen_Bond_Donor_Count	0
11607904	XLogP3-AA	0
5281769	Defined_Atom_Stereo_Count	4
135564632	Exact_Mass	289.0618043
6604100	Defined_Bond_Stereo_Count	1
316724	Exact_Mass	240.115029749
21962760	Total_Formal_Charge	0
5603	XLogP3	2.4
975767	Non-hydrogen_Atom_Count	17
163432987	Hydrogen_Bond_Acceptor_Count	3
6699	Rotatable_Bond_Count	4
643327	Hydrogen_Bond_Acceptor_Count	3
19065601	Isotope_Atom_Count	0
10986277	Undefined_Atom_Stereo_Count	0
132519	Structure_Complexity	554
40240	Non-hydrogen_Atom_Count	29
17520	Isotope_Atom_Count	0
86656004	Hydrogen_Bond_Acceptor_Count	3
17903417	Rotatable_Bond_Count	13
25298	Molecular_Weight	104.15
34696	Undefined_Bond_Stereo_Count	0
59015080	Structure_Complexity	382
87079616	Non-hydrogen_Atom_Count	8
103648	XLogP3-AA	3.3
44201342	Rotatable_Bond_Count	187
6969	Isotope_Atom_Count	0
10558	Covalent_Unit_Count	1
139056	Total_Formal_Charge	0
12304613	Undefined_Bond_Stereo_Count	0
134695341	Structure_Complexity	1550
26613	Total_Formal_Charge	0
159609	Structure_Complexity	93.7
81836	Total_Formal_Charge	0
2724048	Covalent_Unit_Count	2
3567443	Mono_Isotopic_Weight	231.100776666
12102	Covalent_Unit_Count	1
9576891	XLogP3-AA	2.2
9825084	Total_Formal_Charge	0
53998308	Structure_Complexity	86.1
57394197	Defined_Bond_Stereo_Count	0
86453	Total_Formal_Charge	0
449284	Mono_Isotopic_Weight	384.19501140
6063	Molecular_Weight	479.0
3017320	Defined_Bond_Stereo_Count	0
6049	Defined_Bond_Stereo_Count	0
63141	Defined_Bond_Stereo_Count	0
70719	Non-hydrogen_Atom_Count	8
131737226	Molecular_Weight	308.92
6917662	Hydrogen_Bond_Donor_Count	2
16473	Undefined_Atom_Stereo_Count	0
44454986	Non-hydrogen_Atom_Count	27
91976487	Molecular_Weight	1917.0
98324	Non-hydrogen_Atom_Count	12
53738699	Non-hydrogen_Atom_Count	8
54375073	Covalent_Unit_Count	1
13945	Total_Formal_Charge	0
12504793	Structure_Complexity	64.6
8882	Rotatable_Bond_Count	0
89578867	Hydrogen_Bond_Acceptor_Count	2
60154328	Hydrogen_Bond_Acceptor_Count	7
90987052	Hydrogen_Bond_Acceptor_Count	0
135455617	Total_Formal_Charge	0
6237	Molecular_Weight	518.08
6827	XLogP3-AA	6
21702	Non-hydrogen_Atom_Count	10
20811	Hydrogen_Bond_Acceptor_Count	2
11966124	Rotatable_Bond_Count	32
9306	Undefined_Atom_Stereo_Count	1
104930	Defined_Bond_Stereo_Count	0
548	Molecular_Weight	200.14
453077	Structure_Complexity	247
145784171	Structure_Complexity	415
45488107	Structure_Complexity	722
71821	XLogP3-AA	4.1
580104	Isotope_Atom_Count	0
81223	Tautomer_Count	2
633526	Mono_Isotopic_Weight	562.35758248
8449	Exact_Mass	161.9639201
11650986	Undefined_Atom_Stereo_Count	0
2168	Rotatable_Bond_Count	6
2734686	Isotope_Atom_Count	0
57572416	Undefined_Atom_Stereo_Count	1
705487	XLogP3-AA	4.4
6884	Non-hydrogen_Atom_Count	11
22140765	Undefined_Bond_Stereo_Count	0
70609	Defined_Bond_Stereo_Count	0
72518	Undefined_Bond_Stereo_Count	0
5368076	Non-hydrogen_Atom_Count	12
16659836	Undefined_Bond_Stereo_Count	0
12606301	Defined_Atom_Stereo_Count	0
72064	Isotope_Atom_Count	0
81832	Hydrogen_Bond_Donor_Count	3
6884	Tautomer_Count	1
32052	Total_Formal_Charge	0
16238	Rotatable_Bond_Count	1
154202106	Undefined_Bond_Stereo_Count	0
43184	Structure_Complexity	190
755373	Hydrogen_Bond_Acceptor_Count	8
15918976	Hydrogen_Bond_Acceptor_Count	3
3019	Total_Formal_Charge	0
22062700	Rotatable_Bond_Count	2
17787271	Covalent_Unit_Count	1
3951	Exact_Mass	408.19367399
26440	Molecular_Weight	194.27
33258	Isotope_Atom_Count	0
158698	Rotatable_Bond_Count	5
68840	Exact_Mass	237.151749610
31772	Defined_Atom_Stereo_Count	0
21263577	Non-hydrogen_Atom_Count	7
54519	Structure_Complexity	317
10997120	Molecular_Weight	140.65
34521	Exact_Mass	207.08954328
315341	XLogP3-AA	0.9
73604	TPSA	123
13651872	Hydrogen_Bond_Acceptor_Count	2
117640	Structure_Complexity	197
212	Hydrogen_Bond_Donor_Count	4
57458936	Hydrogen_Bond_Acceptor_Count	28
81320	TPSA	52.6
11062345	Non-hydrogen_Atom_Count	8
135413525	Mono_Isotopic_Weight	241.09635999
124005380	Mono_Isotopic_Weight	110.109550447
13400858	Structure_Complexity	77.4
47714	TPSA	50.8
8201	Undefined_Atom_Stereo_Count	0
276224	Structure_Complexity	77.7
72734319	Exact_Mass	601.19349328
9908880	Covalent_Unit_Count	1
14499	Non-hydrogen_Atom_Count	7
64502	Undefined_Atom_Stereo_Count	0
71624686	Hydrogen_Bond_Acceptor_Count	4
12513420	Mono_Isotopic_Weight	98.073164938
45488112	Exact_Mass	456.14092497
546946	Hydrogen_Bond_Donor_Count	0
23725082	Mono_Isotopic_Weight	723.123265
137997	XLogP3-AA	3.9
5460482	Structure_Complexity	90.4
68601	Undefined_Bond_Stereo_Count	0
52766	Exact_Mass	274.11398438
71461541	Hydrogen_Bond_Acceptor_Count	6
135448133	Undefined_Atom_Stereo_Count	9
53316416	Isotope_Atom_Count	0
91661	Total_Formal_Charge	0
153685445	Exact_Mass	95.073499291
70542877	XLogP3-AA	0.1
5323606	Structure_Complexity	102
174512	Tautomer_Count	1
1637	Rotatable_Bond_Count	8
6395	Hydrogen_Bond_Acceptor_Count	3
15655	Molecular_Weight	86.09
57484773	Molecular_Weight	94.15
4470790	Total_Formal_Charge	0
67375395	Hydrogen_Bond_Donor_Count	2
598777	TPSA	51.8
221511	Defined_Bond_Stereo_Count	0
444913	TPSA	475
134688015	Hydrogen_Bond_Donor_Count	0
135749824	Undefined_Atom_Stereo_Count	0
1805	Non-hydrogen_Atom_Count	17
71782	Total_Formal_Charge	0
13426660	Hydrogen_Bond_Acceptor_Count	0
134931805	Mono_Isotopic_Weight	112.088815002
53796209	Hydrogen_Bond_Acceptor_Count	2
26696	Covalent_Unit_Count	1
6474640	Isotope_Atom_Count	0
49869312	Total_Formal_Charge	0
5281698	TPSA	116
151062	Covalent_Unit_Count	1
49784084	Defined_Atom_Stereo_Count	0
54676840	Undefined_Bond_Stereo_Count	0
59296099	Covalent_Unit_Count	1
9830317	Exact_Mass	608.0995698
85475	Defined_Bond_Stereo_Count	0
72208264	Rotatable_Bond_Count	0
6885	Isotope_Atom_Count	0
9881626	Undefined_Bond_Stereo_Count	0
52112	Mono_Isotopic_Weight	383.01307
32131	TPSA	124
11442891	Hydrogen_Bond_Acceptor_Count	6
12976	Mono_Isotopic_Weight	118.03784206
149437349	Undefined_Bond_Stereo_Count	0
18732	Structure_Complexity	79.6
135398634	Hydrogen_Bond_Donor_Count	3
11729	Defined_Atom_Stereo_Count	0
69787	Non-hydrogen_Atom_Count	12
90385783	Structure_Complexity	131
40469421	Isotope_Atom_Count	0
5108689	Hydrogen_Bond_Acceptor_Count	3
11743862	Mono_Isotopic_Weight	438.10832773
71474517	Molecular_Weight	1001.3
22909	Non-hydrogen_Atom_Count	21
13863632	Hydrogen_Bond_Acceptor_Count	1
133688938	Rotatable_Bond_Count	7
135482068	Defined_Bond_Stereo_Count	1
22841634	Non-hydrogen_Atom_Count	16
23668353	Covalent_Unit_Count	2
57548589	Isotope_Atom_Count	0
98210	Structure_Complexity	46.8
15437	Mono_Isotopic_Weight	206.07251349
5281897	Structure_Complexity	737
13332726	Structure_Complexity	123
55284719	Undefined_Atom_Stereo_Count	1
8520	Hydrogen_Bond_Acceptor_Count	3
21853	Total_Formal_Charge	0
8670	Defined_Bond_Stereo_Count	0
57406717	Non-hydrogen_Atom_Count	33
219096	Undefined_Atom_Stereo_Count	2
23983765	Hydrogen_Bond_Acceptor_Count	3
28048	TPSA	18.5
145971	Non-hydrogen_Atom_Count	15
12201380	TPSA	30.7
5359371	Exact_Mass	283.193614421
20735704	Defined_Bond_Stereo_Count	0
69396	Total_Formal_Charge	0
15271454	Structure_Complexity	149
137699188	Total_Formal_Charge	0
62823	Exact_Mass	175.12084340
72582	Mono_Isotopic_Weight	224.20009678
83952	Hydrogen_Bond_Acceptor_Count	14
71450114	Defined_Atom_Stereo_Count	2
16669	Structure_Complexity	94.7
9012	Covalent_Unit_Count	1
86278165	Exact_Mass	788.152102
13766702	Molecular_Weight	564.7
75755	Undefined_Bond_Stereo_Count	0
21185116	Rotatable_Bond_Count	0
134564038	Mono_Isotopic_Weight	109.063997236
19013934	Isotope_Atom_Count	0
5311217	Covalent_Unit_Count	1
145706202	Total_Formal_Charge	0
5271569	Molecular_Weight	228.28
90469695	TPSA	198
143588	Total_Formal_Charge	0
8026	Total_Formal_Charge	0
97341	Defined_Bond_Stereo_Count	0
11936	XLogP3	5.1
9562059	Hydrogen_Bond_Donor_Count	8
11567	Hydrogen_Bond_Acceptor_Count	1
42928	Molecular_Weight	237.64
67621	XLogP3-AA	2.8
524894	Molecular_Weight	90.12
42153	XLogP3	2.7
70732	TPSA	33.1
7250	Molecular_Weight	121.18
347477	Covalent_Unit_Count	1
45784923	Covalent_Unit_Count	1
219145	Hydrogen_Bond_Donor_Count	0
58513815	Defined_Atom_Stereo_Count	0
59067341	Exact_Mass	116.047344113
3118	Total_Formal_Charge	0
325385	Defined_Bond_Stereo_Count	0
154214	Defined_Atom_Stereo_Count	2
159027	Hydrogen_Bond_Acceptor_Count	1
6433101	Molecular_Weight	452.5
7083	Total_Formal_Charge	0
130354549	Mono_Isotopic_Weight	100.063662883
133667882	Exact_Mass	110.073164938
210320	Structure_Complexity	448
48080	Molecular_Weight	419.9
27428	Hydrogen_Bond_Donor_Count	0
28749	Tautomer_Count	2
92131209	Hydrogen_Bond_Donor_Count	6
8875	Structure_Complexity	451
87664346	Covalent_Unit_Count	1
88283211	Rotatable_Bond_Count	3
85252	Molecular_Weight	160.29
7473	Non-hydrogen_Atom_Count	10
3033984	Hydrogen_Bond_Donor_Count	1
534543	TPSA	43.4
69627	Undefined_Bond_Stereo_Count	0
12546079	TPSA	27
5289613	Tautomer_Count	6
3794	Rotatable_Bond_Count	4
3388301	Isotope_Atom_Count	0
91855653	Rotatable_Bond_Count	4
162839	Structure_Complexity	175
162413	Defined_Atom_Stereo_Count	0
301520	XLogP3-AA	3.4
24901210	Isotope_Atom_Count	0
33263	Rotatable_Bond_Count	5
4686862	Undefined_Bond_Stereo_Count	0
6419	Covalent_Unit_Count	1
6538983	XLogP3-AA	4.9
10229498	Hydrogen_Bond_Acceptor_Count	5
28397	Non-hydrogen_Atom_Count	23
54309225	Structure_Complexity	50
720213	Rotatable_Bond_Count	6
306211	Defined_Bond_Stereo_Count	0
7987	Covalent_Unit_Count	1
160458	TPSA	40.5
92154	Exact_Mass	189.078978594
70608	XLogP3-AA	1.8
21856472	Undefined_Bond_Stereo_Count	0
155138	Total_Formal_Charge	0
6392641	Exact_Mass	824.368622
11988953	Structure_Complexity	514
5257437	TPSA	0
88142236	Rotatable_Bond_Count	4
26514	Hydrogen_Bond_Acceptor_Count	2
76621	Mono_Isotopic_Weight	207.0886878
5288269	Total_Formal_Charge	0
6627	Undefined_Atom_Stereo_Count	0
163640634	Undefined_Bond_Stereo_Count	0
5284441	Hydrogen_Bond_Acceptor_Count	2
20206050	Total_Formal_Charge	0
1413	Non-hydrogen_Atom_Count	23
147912	XLogP3	4.6
506605	Covalent_Unit_Count	1
136055781	Covalent_Unit_Count	1
167811	Mono_Isotopic_Weight	407.18616006
105075	Defined_Atom_Stereo_Count	0
3208	Undefined_Bond_Stereo_Count	2
14523627	Non-hydrogen_Atom_Count	28
23311753	Hydrogen_Bond_Acceptor_Count	3
852452	TPSA	59.8
71584056	Undefined_Bond_Stereo_Count	0
183811	TPSA	138
11254899	Undefined_Atom_Stereo_Count	0
11725	Undefined_Atom_Stereo_Count	0
167604	Hydrogen_Bond_Donor_Count	0
17805735	Structure_Complexity	54
537148	Hydrogen_Bond_Acceptor_Count	1
564890	Exact_Mass	291.100776666
123304022	Defined_Bond_Stereo_Count	0
6433396	Tautomer_Count	1
446142	Undefined_Atom_Stereo_Count	0
5462346	Mono_Isotopic_Weight	477.23626707
24154	Defined_Bond_Stereo_Count	0
5084	Mono_Isotopic_Weight	452.22122615
9093	Non-hydrogen_Atom_Count	10
21547708	Covalent_Unit_Count	1
18100	Total_Formal_Charge	0
34005	Total_Formal_Charge	0
673473	Mono_Isotopic_Weight	303.14705815
51701	Rotatable_Bond_Count	7
527511	TPSA	4.9
3016390	Defined_Bond_Stereo_Count	0
46201499	Non-hydrogen_Atom_Count	11
91276	Molecular_Weight	306.4
18644925	Covalent_Unit_Count	1
68809	Defined_Atom_Stereo_Count	0
5356697	Hydrogen_Bond_Acceptor_Count	1
14717795	Molecular_Weight	1265.4
3054741	Isotope_Atom_Count	0
4151	Mono_Isotopic_Weight	318.06742811
441412	Exact_Mass	403.1914215
89000581	Molecular_Weight	180.16
636908	Mono_Isotopic_Weight	338.06378202
6097028	Exact_Mass	132.02047791
108227	TPSA	90
49866692	Mono_Isotopic_Weight	293.1294900
441451	Tautomer_Count	1
21354407	Non-hydrogen_Atom_Count	8
82464	Defined_Atom_Stereo_Count	0
46625	Undefined_Atom_Stereo_Count	0
11656753	Undefined_Bond_Stereo_Count	0
73670	Undefined_Bond_Stereo_Count	0
84878	Exact_Mass	29.997988624
5369	XLogP3-AA	4
4119106	Hydrogen_Bond_Donor_Count	1
11574638	Defined_Atom_Stereo_Count	0
22041940	Non-hydrogen_Atom_Count	7
200103	Defined_Atom_Stereo_Count	0
23673837	Undefined_Bond_Stereo_Count	0
18934227	Defined_Atom_Stereo_Count	0
17714	Non-hydrogen_Atom_Count	21
57587000	Structure_Complexity	84.5
5281232	TPSA	74.6
33473	Undefined_Atom_Stereo_Count	0
6327114	Tautomer_Count	1
90735699	Rotatable_Bond_Count	3
854418	Total_Formal_Charge	0
6427135	Molecular_Weight	170.32
25607	Hydrogen_Bond_Acceptor_Count	0
941	Isotope_Atom_Count	0
520352	Isotope_Atom_Count	0
123737063	Structure_Complexity	65.1
8797	Hydrogen_Bond_Donor_Count	0
18195	Undefined_Bond_Stereo_Count	0
54250649	Exact_Mass	111.068413911
123892691	Covalent_Unit_Count	1
541675	Total_Formal_Charge	0
14815780	Defined_Bond_Stereo_Count	0
641496	Rotatable_Bond_Count	0
98493	Non-hydrogen_Atom_Count	7
124009720	Defined_Bond_Stereo_Count	0
90987052	XLogP3-AA	3.1
2156	Molecular_Weight	646.3
20392	Defined_Atom_Stereo_Count	0
71066	Rotatable_Bond_Count	6
135445969	Defined_Bond_Stereo_Count	0
7315	XLogP3-AA	4.2
8579	XLogP3-AA	4.3
10785	Hydrogen_Bond_Donor_Count	1
21753162	Non-hydrogen_Atom_Count	8
54344827	Undefined_Atom_Stereo_Count	1
115739	Non-hydrogen_Atom_Count	14
132575067	Non-hydrogen_Atom_Count	20
12546246	Undefined_Bond_Stereo_Count	0
59456120	Hydrogen_Bond_Acceptor_Count	8
11254899	Defined_Atom_Stereo_Count	0
8857	Structure_Complexity	49.5
838844	Exact_Mass	237.97418
5356	Undefined_Atom_Stereo_Count	0
5281035	Mono_Isotopic_Weight	382.228322906
126963478	XLogP3-AA	2.5
166548151	TPSA	23.8
151172	Tautomer_Count	11
22636846	Non-hydrogen_Atom_Count	8
4943	Mono_Isotopic_Weight	178.135765193
13245	Total_Formal_Charge	0
219105	XLogP3	1.4
25799416	Structure_Complexity	189
11768551	Covalent_Unit_Count	1
66662059	TPSA	88.6
3036974	Undefined_Bond_Stereo_Count	0
7937	Exact_Mass	107.073499291
34328	TPSA	64.3
3322	Non-hydrogen_Atom_Count	18
100933147	TPSA	277
23392960	Hydrogen_Bond_Donor_Count	1
98608	Total_Formal_Charge	0
7757	Structure_Complexity	106
47896	Exact_Mass	597.0568692
76543883	Total_Formal_Charge	0
112680	Molecular_Weight	100.16
26470418	Exact_Mass	342.11621151
91199926	Non-hydrogen_Atom_Count	8
667657	Defined_Bond_Stereo_Count	0
15926139	Covalent_Unit_Count	1
8248	Molecular_Weight	452.6
84081255	Covalent_Unit_Count	1
60196284	Undefined_Atom_Stereo_Count	0
71416	Hydrogen_Bond_Donor_Count	1
24550	Defined_Atom_Stereo_Count	0
17963332	Mono_Isotopic_Weight	541.1204976
23680156	Defined_Atom_Stereo_Count	0
40460	Undefined_Bond_Stereo_Count	0
161930	Structure_Complexity	502
191014	Undefined_Bond_Stereo_Count	0
69684	Exact_Mass	142.110613074
6325382	Covalent_Unit_Count	1
60860	Covalent_Unit_Count	1
51132	Mono_Isotopic_Weight	132.078644241
11750	TPSA	45.8
636397	TPSA	204
14480677	Structure_Complexity	355
96389	Covalent_Unit_Count	1
82730	Rotatable_Bond_Count	3
5459319	Defined_Atom_Stereo_Count	3
4350929	Tautomer_Count	1
485083	Mono_Isotopic_Weight	98.084398327
745	Total_Formal_Charge	0
163488608	Isotope_Atom_Count	0
263639	Covalent_Unit_Count	1
299664	Tautomer_Count	36
137249786	Mono_Isotopic_Weight	538.30428706
81540	Total_Formal_Charge	0
196129	XLogP3-AA	3.9
23684339	Tautomer_Count	1
70694239	XLogP3-AA	2.9
6433951	Molecular_Weight	370.4
5319879	Rotatable_Bond_Count	19
447884	Total_Formal_Charge	0
39628	Isotope_Atom_Count	0
70276605	Rotatable_Bond_Count	6
58781694	Exact_Mass	115.063328530
272714	Undefined_Atom_Stereo_Count	0
715513	Hydrogen_Bond_Acceptor_Count	3
6518103	Non-hydrogen_Atom_Count	23
14283	Covalent_Unit_Count	1
90470563	Hydrogen_Bond_Donor_Count	0
24780	Mono_Isotopic_Weight	500.30708103
20378091	Isotope_Atom_Count	0
23533634	Hydrogen_Bond_Donor_Count	1
447196	Structure_Complexity	354
10499446	Non-hydrogen_Atom_Count	28
135402338	Undefined_Atom_Stereo_Count	0
15222	Total_Formal_Charge	0
135418283	Undefined_Atom_Stereo_Count	1
15565266	Exact_Mass	111.043261792
7017843	Defined_Bond_Stereo_Count	0
44565777	Undefined_Bond_Stereo_Count	0
5765	Molecular_Weight	191.01
126968545	Structure_Complexity	609
8654	Isotope_Atom_Count	0
3332	Undefined_Atom_Stereo_Count	0
24781	Hydrogen_Bond_Donor_Count	1
139062655	Mono_Isotopic_Weight	534.2033832
177955	Non-hydrogen_Atom_Count	16
449331	Undefined_Bond_Stereo_Count	0
54765	Hydrogen_Bond_Acceptor_Count	6
15731	Mono_Isotopic_Weight	186.068079557
55840	TPSA	67.6
12727651	Defined_Atom_Stereo_Count	0
20072996	Hydrogen_Bond_Acceptor_Count	2
57392871	Rotatable_Bond_Count	6
70346812	Defined_Atom_Stereo_Count	0
2308	XLogP3	2.2
5358941	Total_Formal_Charge	0
5405	Total_Formal_Charge	0
84221363	Isotope_Atom_Count	0
69442897	Total_Formal_Charge	0
2775940	Rotatable_Bond_Count	18
153274062	TPSA	257
66502	TPSA	167
118572065	Covalent_Unit_Count	1
10076625	XLogP3-AA	4.3
38350	Molecular_Weight	321.4
14503	Molecular_Weight	187.1
13643667	Exact_Mass	449.71112
12720	Structure_Complexity	51.7
90936519	Hydrogen_Bond_Donor_Count	5
89079153	Hydrogen_Bond_Donor_Count	0
11158091	Defined_Atom_Stereo_Count	8
31000	Molecular_Weight	277.23
17234	Total_Formal_Charge	0
2754342	Mono_Isotopic_Weight	176.12348643
447379	Covalent_Unit_Count	1
854023	Hydrogen_Bond_Acceptor_Count	2
642	Structure_Complexity	1100
11174599	Undefined_Atom_Stereo_Count	0
11197171	Isotope_Atom_Count	0
69325	Tautomer_Count	1
112030	Total_Formal_Charge	0
81561	Hydrogen_Bond_Donor_Count	0
441278	Exact_Mass	285.209264485
6424	Covalent_Unit_Count	1
11641	Undefined_Bond_Stereo_Count	0
10197657	Total_Formal_Charge	0
8058	Undefined_Bond_Stereo_Count	0
6328154	Mono_Isotopic_Weight	263.07428675
10243	Rotatable_Bond_Count	1
66972027	Isotope_Atom_Count	0
94301	Total_Formal_Charge	0
156588466	Non-hydrogen_Atom_Count	44
141545	Defined_Bond_Stereo_Count	0
50587	Rotatable_Bond_Count	22
69595	Undefined_Atom_Stereo_Count	0
3151	Covalent_Unit_Count	1
45484139	Isotope_Atom_Count	0
84398	Rotatable_Bond_Count	2
91664033	Hydrogen_Bond_Donor_Count	30
246724	TPSA	18.5
9785	Undefined_Bond_Stereo_Count	0
161930	Undefined_Bond_Stereo_Count	0
637497	Defined_Atom_Stereo_Count	1
594832	Exact_Mass	160.063662883
1893	Tautomer_Count	2
3788074	Isotope_Atom_Count	0
21041051	Undefined_Atom_Stereo_Count	0
12210512	Hydrogen_Bond_Donor_Count	0
28281	Defined_Bond_Stereo_Count	0
69333782	Undefined_Bond_Stereo_Count	0
12054761	Hydrogen_Bond_Donor_Count	0
60946	Hydrogen_Bond_Acceptor_Count	8
140511	Structure_Complexity	59.4
55113	Covalent_Unit_Count	1
4279	Mono_Isotopic_Weight	344.352854710
50993725	Defined_Bond_Stereo_Count	0
39268	Structure_Complexity	436
7886	Structure_Complexity	158
73952292	Exact_Mass	665.30474055
5610	XLogP3	1.1
135410907	Rotatable_Bond_Count	2
59567216	Undefined_Atom_Stereo_Count	0
70813	Isotope_Atom_Count	0
85538179	Rotatable_Bond_Count	0
57656641	Mono_Isotopic_Weight	414.1589315
139584807	Non-hydrogen_Atom_Count	18
154982320	Hydrogen_Bond_Acceptor_Count	1
73356082	Rotatable_Bond_Count	118
409350	Covalent_Unit_Count	1
134767951	Undefined_Bond_Stereo_Count	0
122672156	Defined_Atom_Stereo_Count	0
62835	XLogP3-AA	0.4
13019066	Exact_Mass	416.32904526
219522	Hydrogen_Bond_Donor_Count	0
37271	XLogP3-AA	0.9
44521023	Molecular_Weight	398.5
54689800	XLogP3	1.8
135508048	Covalent_Unit_Count	1
65376195	Hydrogen_Bond_Donor_Count	0
47151	Molecular_Weight	204.5
90427261	TPSA	20.2
5282375	Exact_Mass	354.21949481
550942	Undefined_Bond_Stereo_Count	0
111332	Exact_Mass	386.20932405
78330	Mono_Isotopic_Weight	188.094963011
67258976	Non-hydrogen_Atom_Count	8
291446	Isotope_Atom_Count	0
58468	Rotatable_Bond_Count	9
15951484	Defined_Atom_Stereo_Count	0
13036911	Isotope_Atom_Count	0
12425338	Molecular_Weight	114.19
71586929	Structure_Complexity	212
75947	Exact_Mass	219.9281244
4912932	XLogP3-AA	0.2
24941254	Defined_Bond_Stereo_Count	0
13394149	Mono_Isotopic_Weight	429.05183761
42153	Structure_Complexity	247
6478035	Tautomer_Count	2
20382009	Exact_Mass	112.088815002
21977262	Molecular_Weight	212.00
51635	Total_Formal_Charge	0
18622	Undefined_Bond_Stereo_Count	0
143255	Defined_Atom_Stereo_Count	0
10862733	Isotope_Atom_Count	3
7348	Defined_Atom_Stereo_Count	0
439763	Mono_Isotopic_Weight	483.30184471
9826520	Hydrogen_Bond_Donor_Count	0
6918106	Defined_Atom_Stereo_Count	2
162059	Molecular_Weight	214.5
7696	Total_Formal_Charge	0
733076	Structure_Complexity	393
24813	Defined_Atom_Stereo_Count	0
11982778	Defined_Bond_Stereo_Count	3
92249	Molecular_Weight	175.18
13413379	XLogP3-AA	0.3
2832	Non-hydrogen_Atom_Count	27
64459	Non-hydrogen_Atom_Count	20
13758360	XLogP3-AA	0.9
5454	Defined_Bond_Stereo_Count	0
638047	Non-hydrogen_Atom_Count	7
51235	Hydrogen_Bond_Donor_Count	2
18628727	Covalent_Unit_Count	1
86165635	TPSA	32.8
186148	Undefined_Atom_Stereo_Count	0
16219	Rotatable_Bond_Count	16
54187438	TPSA	26
54296709	Hydrogen_Bond_Acceptor_Count	1
84041	Hydrogen_Bond_Donor_Count	1
208916	Covalent_Unit_Count	1
5749	Rotatable_Bond_Count	9
87501539	Rotatable_Bond_Count	1
160817	Mono_Isotopic_Weight	238.062994177
123292394	Undefined_Atom_Stereo_Count	2
70099	Exact_Mass	106.078250319
130349042	Covalent_Unit_Count	1
10197660	Defined_Atom_Stereo_Count	0
133633	Defined_Bond_Stereo_Count	0
358641	Mono_Isotopic_Weight	543.19000284
349252	Hydrogen_Bond_Acceptor_Count	2
87074	TPSA	20.2
19778484	Molecular_Weight	112.13
4427	Isotope_Atom_Count	0
6736	Undefined_Bond_Stereo_Count	0
11346811	Rotatable_Bond_Count	10
2762816	Undefined_Atom_Stereo_Count	0
637668	Undefined_Bond_Stereo_Count	0
25138049	Rotatable_Bond_Count	5
135407408	Undefined_Bond_Stereo_Count	0
22186211	Exact_Mass	100.052429494
568334	Hydrogen_Bond_Acceptor_Count	2
29356	Structure_Complexity	161
153774065	Defined_Bond_Stereo_Count	0
129508	TPSA	87.7
57692074	Hydrogen_Bond_Acceptor_Count	7
23635314	Rotatable_Bond_Count	9
230710	Covalent_Unit_Count	1
64865	TPSA	75.4
68489225	Structure_Complexity	534
3164136	Covalent_Unit_Count	1
72257	Covalent_Unit_Count	1
12836334	Non-hydrogen_Atom_Count	8
73285	Structure_Complexity	409
7466	Rotatable_Bond_Count	1
19352565	Hydrogen_Bond_Acceptor_Count	1
6883	Defined_Atom_Stereo_Count	4
3086674	Hydrogen_Bond_Acceptor_Count	4
71184	Total_Formal_Charge	0
20697439	Hydrogen_Bond_Acceptor_Count	2
9409	Mono_Isotopic_Weight	959.9824113
5282211	Rotatable_Bond_Count	15
4284720	Rotatable_Bond_Count	5
54060494	Hydrogen_Bond_Donor_Count	1
11635721	Molecular_Weight	596.8
299728	Undefined_Bond_Stereo_Count	0
85988	Hydrogen_Bond_Donor_Count	0
11400741	Defined_Atom_Stereo_Count	0
131632429	Hydrogen_Bond_Acceptor_Count	12
71200	Exact_Mass	292.215078140
135686255	Structure_Complexity	342
22022770	Undefined_Atom_Stereo_Count	1
19349372	Rotatable_Bond_Count	1
22056720	Hydrogen_Bond_Acceptor_Count	1
61048	Isotope_Atom_Count	0
18759351	Undefined_Bond_Stereo_Count	0
443115	Undefined_Atom_Stereo_Count	0
98047	Non-hydrogen_Atom_Count	11
11385	Total_Formal_Charge	0
41628	Non-hydrogen_Atom_Count	28
643968	Non-hydrogen_Atom_Count	17
149026	Total_Formal_Charge	0
24437	Defined_Atom_Stereo_Count	0
24848788	TPSA	65.8
8626	Exact_Mass	891.9734866
44392105	Undefined_Atom_Stereo_Count	0
788781	XLogP3-AA	4.3
13450501	Structure_Complexity	53.9
9568700	Hydrogen_Bond_Acceptor_Count	5
12338093	Exact_Mass	214.04371528
11432307	Undefined_Atom_Stereo_Count	0
31266	Hydrogen_Bond_Donor_Count	0
129816	Undefined_Atom_Stereo_Count	1
10039	Defined_Atom_Stereo_Count	0
5311504	Structure_Complexity	963
5497174	Isotope_Atom_Count	0
136346	Undefined_Bond_Stereo_Count	0
123239743	Rotatable_Bond_Count	1
18698	Tautomer_Count	2
143331072	Covalent_Unit_Count	1
9589475	Molecular_Weight	522.6
49865493	Defined_Bond_Stereo_Count	0
60202105	Covalent_Unit_Count	1
4753	XLogP3	0.9
104902	Defined_Atom_Stereo_Count	6
9810601	Tautomer_Count	2
21365956	Undefined_Bond_Stereo_Count	0
1609	Isotope_Atom_Count	0
429571	Total_Formal_Charge	0
24950485	Isotope_Atom_Count	0
2170	Total_Formal_Charge	0
44563145	Mono_Isotopic_Weight	382.19173754
5805243	Isotope_Atom_Count	0
43471	Exact_Mass	165.078978594
5283632	Covalent_Unit_Count	1
119086019	Total_Formal_Charge	0
96563	Defined_Bond_Stereo_Count	0
10991489	Hydrogen_Bond_Acceptor_Count	11
454386	Rotatable_Bond_Count	4
926	Undefined_Atom_Stereo_Count	8
5311429	Undefined_Atom_Stereo_Count	0
25006686	XLogP3-AA	4.7
497698	Covalent_Unit_Count	1
7266	Undefined_Atom_Stereo_Count	0
44119980	Undefined_Bond_Stereo_Count	0
73902	Exact_Mass	284.1080262
519275	Defined_Bond_Stereo_Count	0
10657742	Total_Formal_Charge	0
16130295	Mono_Isotopic_Weight	6507.0413833
67406	Undefined_Atom_Stereo_Count	0
151248	Exact_Mass	233.9865910
19601937	TPSA	49.7
71485	Structure_Complexity	405
17110	Structure_Complexity	194
54680783	Mono_Isotopic_Weight	250.08412354
7567018	Total_Formal_Charge	0
122639	Tautomer_Count	36
54675783	TPSA	165
78553	Exact_Mass	215.96083
114961	Hydrogen_Bond_Acceptor_Count	5
35912	Exact_Mass	248.152477885
11550045	Total_Formal_Charge	0
1636	Exact_Mass	488.13412551
22559336	TPSA	9.2
30251	Defined_Atom_Stereo_Count	0
16420	Non-hydrogen_Atom_Count	15
70068	Undefined_Atom_Stereo_Count	0
88534961	Covalent_Unit_Count	1
46207586	Defined_Atom_Stereo_Count	0
54023641	TPSA	37.3
150899	Isotope_Atom_Count	0
198382	Exact_Mass	175.0400063
140250071	Total_Formal_Charge	0
10993	TPSA	20.2
12953697	Covalent_Unit_Count	1
10346870	Molecular_Weight	529.5
6917864	Undefined_Atom_Stereo_Count	0
77676	Molecular_Weight	136.17
57687	Molecular_Weight	367.8
9295	Total_Formal_Charge	0
208911	Total_Formal_Charge	0
5365369	Molecular_Weight	337.6
59473233	XLogP3-AA	3.6
8020	XLogP3	0.2
153830378	Defined_Atom_Stereo_Count	0
60653	Undefined_Atom_Stereo_Count	1
8359	Molecular_Weight	163.13
129859783	Hydrogen_Bond_Donor_Count	1
5527	Structure_Complexity	464
122403924	Rotatable_Bond_Count	30
6455792	Undefined_Bond_Stereo_Count	0
20652538	Exact_Mass	78.0469501914
5491647	Exact_Mass	269.10519334
5460024	Undefined_Bond_Stereo_Count	0
72462	Hydrogen_Bond_Donor_Count	2
656954	Rotatable_Bond_Count	2
8250	Rotatable_Bond_Count	6
44207128	Hydrogen_Bond_Donor_Count	0
588151	Tautomer_Count	2
656013	Undefined_Atom_Stereo_Count	0
14947250	Undefined_Atom_Stereo_Count	0
248961	Molecular_Weight	98.15
71457955	Covalent_Unit_Count	1
3395	Molecular_Weight	330.3
68862	Covalent_Unit_Count	1
10931394	XLogP3-AA	0.2
54793	Exact_Mass	283.157228913
7064	Hydrogen_Bond_Donor_Count	2
123504	TPSA	37.3
146159626	Hydrogen_Bond_Acceptor_Count	6
130114929	Defined_Atom_Stereo_Count	0
13562	Undefined_Bond_Stereo_Count	0
246	Molecular_Weight	370.5
90452	Isotope_Atom_Count	0
134338399	Undefined_Bond_Stereo_Count	0
103439991	XLogP3-AA	0.2
12214113	Rotatable_Bond_Count	1
122361610	Mono_Isotopic_Weight	430.23553880
5311027	Covalent_Unit_Count	1
2772	Exact_Mass	489.11515669
17845830	Mono_Isotopic_Weight	113.058911855
96393	Mono_Isotopic_Weight	126.079312947
49849523	Structure_Complexity	415
73977874	Mono_Isotopic_Weight	110.073164938
75564	Hydrogen_Bond_Donor_Count	1
54285963	Total_Formal_Charge	0
328257	Mono_Isotopic_Weight	97.052763847
637668	Defined_Atom_Stereo_Count	0
37924	Non-hydrogen_Atom_Count	16
83814964	Undefined_Bond_Stereo_Count	0
5496540	Hydrogen_Bond_Donor_Count	22
107807	Defined_Bond_Stereo_Count	0
3260420	Hydrogen_Bond_Acceptor_Count	1
12132	Covalent_Unit_Count	1
25058173	Isotope_Atom_Count	0
24848323	Non-hydrogen_Atom_Count	16
67284	Hydrogen_Bond_Donor_Count	0
13748	Defined_Atom_Stereo_Count	0
14236	Undefined_Bond_Stereo_Count	0
18195	Defined_Atom_Stereo_Count	0
70543261	Defined_Bond_Stereo_Count	0
135403802	Hydrogen_Bond_Donor_Count	4
15188270	Exact_Mass	83.073499291
24808640	Defined_Atom_Stereo_Count	0
21942008	Undefined_Bond_Stereo_Count	0
5102882	Rotatable_Bond_Count	1
24916843	Structure_Complexity	989
9863303	Rotatable_Bond_Count	4
7304	Exact_Mass	81.057849228
13184286	Total_Formal_Charge	0
12819963	Hydrogen_Bond_Acceptor_Count	1
13638937	Molecular_Weight	257.23
500460	Molecular_Weight	208.25
5280794	XLogP3-AA	8.6
71777706	Undefined_Atom_Stereo_Count	0
3598879	Exact_Mass	165.06122053
11320929	Exact_Mass	116.047344113
68363	TPSA	59
18363526	Molecular_Weight	114.14
6851	TPSA	152
16063805	Rotatable_Bond_Count	7
20759975	Non-hydrogen_Atom_Count	7
6379	Covalent_Unit_Count	2
71530	Total_Formal_Charge	1
44134877	Molecular_Weight	958.9
13878035	Non-hydrogen_Atom_Count	28
968645	Molecular_Weight	247.33
13006129	Defined_Bond_Stereo_Count	0
24550	Mono_Isotopic_Weight	157.899009
69627068	Covalent_Unit_Count	1
10823890	Undefined_Bond_Stereo_Count	0
22015773	Undefined_Atom_Stereo_Count	0
599239	Non-hydrogen_Atom_Count	18
14923671	Structure_Complexity	94.6
53481477	Defined_Atom_Stereo_Count	2
131695	Defined_Atom_Stereo_Count	0
59653	Covalent_Unit_Count	1
24825271	Hydrogen_Bond_Donor_Count	1
643990	Structure_Complexity	1320
12754038	Isotope_Atom_Count	0
21789	Hydrogen_Bond_Acceptor_Count	2
11899	Defined_Bond_Stereo_Count	0
68901	XLogP3-AA	0.6
139254656	Mono_Isotopic_Weight	242.07251349
57662	Covalent_Unit_Count	1
93971978	XLogP3-AA	2.2
147610634	TPSA	26
133938	Defined_Atom_Stereo_Count	0
12967	Total_Formal_Charge	0
66541	Hydrogen_Bond_Acceptor_Count	3
21792545	Hydrogen_Bond_Acceptor_Count	4
71464488	Undefined_Atom_Stereo_Count	1
21779240	Non-hydrogen_Atom_Count	22
572717	Isotope_Atom_Count	0
9187	Defined_Atom_Stereo_Count	0
439498	Mono_Isotopic_Weight	178.04121336
24823	Hydrogen_Bond_Donor_Count	0
105426940	Undefined_Bond_Stereo_Count	0
9010	Non-hydrogen_Atom_Count	19
5312830	Hydrogen_Bond_Acceptor_Count	3
7479	Non-hydrogen_Atom_Count	11
21187532	Non-hydrogen_Atom_Count	8
11974213	Isotope_Atom_Count	0
105054	Structure_Complexity	0
53954226	Covalent_Unit_Count	1
53763274	Mono_Isotopic_Weight	94.078250319
123470675	XLogP3-AA	3.1
103023	Covalent_Unit_Count	1
6136	Hydrogen_Bond_Acceptor_Count	5
88784945	Defined_Atom_Stereo_Count	0
134823960	Non-hydrogen_Atom_Count	19
24706	Molecular_Weight	608.8
42602260	Defined_Bond_Stereo_Count	0
24765417	Non-hydrogen_Atom_Count	19
14231	Undefined_Atom_Stereo_Count	1
24945227	TPSA	81.1
44338773	XLogP3-AA	3.1
5142487	Rotatable_Bond_Count	2
11800	Non-hydrogen_Atom_Count	16
446067	Structure_Complexity	1580
93798	Defined_Bond_Stereo_Count	0
18622377	Defined_Bond_Stereo_Count	0
2762864	Isotope_Atom_Count	0
24987	TPSA	38.8
186114	Undefined_Bond_Stereo_Count	0
5464265	Covalent_Unit_Count	1
46942	Exact_Mass	204.220163521
51055169	Covalent_Unit_Count	1
14039	Exact_Mass	74.048012819
126011	XLogP3	0.7
18212	Exact_Mass	197.12766012
6426742	Covalent_Unit_Count	1
20072996	Undefined_Bond_Stereo_Count	0
3032396	Hydrogen_Bond_Donor_Count	4
155465	Defined_Atom_Stereo_Count	0
57589	Undefined_Bond_Stereo_Count	0
32765	Mono_Isotopic_Weight	393.89280
10964444	Isotope_Atom_Count	0
67403	Undefined_Bond_Stereo_Count	0
161218	Structure_Complexity	580
156580481	Total_Formal_Charge	0
13081	Exact_Mass	341.9738580
67569543	Undefined_Atom_Stereo_Count	0
10355130	Molecular_Weight	257.76
6439420	Isotope_Atom_Count	0
73416227	Defined_Atom_Stereo_Count	4
11850983	Molecular_Weight	291.5
104625	Structure_Complexity	223
63119	XLogP3-AA	1.5
122877	TPSA	138
72165228	Total_Formal_Charge	0
48068	Covalent_Unit_Count	3
71587019	Structure_Complexity	166
9120	Covalent_Unit_Count	1
3366	Isotope_Atom_Count	0
5363858	Undefined_Atom_Stereo_Count	1
25271782	Undefined_Bond_Stereo_Count	0
195432	Rotatable_Bond_Count	8
196879	Defined_Bond_Stereo_Count	0
9909846	TPSA	60.7
16154789	Molecular_Weight	1198.9
23080868	Mono_Isotopic_Weight	111.068413911
71356656	Hydrogen_Bond_Donor_Count	0
26388	Non-hydrogen_Atom_Count	30
60196400	Mono_Isotopic_Weight	527.24539246
453214	Exact_Mass	456.12677620
49750	TPSA	41.6
59939847	Undefined_Bond_Stereo_Count	0
80790	Rotatable_Bond_Count	2
23422644	Covalent_Unit_Count	1
11765960	XLogP3	1.8
9789	Structure_Complexity	146
4259	Mono_Isotopic_Weight	401.17508442
133611834	Defined_Bond_Stereo_Count	1
12105	TPSA	17.1
19910037	Structure_Complexity	81.8
342403	Mono_Isotopic_Weight	137.047678466
12582	Isotope_Atom_Count	0
4643	Molecular_Weight	362.5
4911	Rotatable_Bond_Count	7
302	Exact_Mass	406.27192431
135398634	Defined_Bond_Stereo_Count	0
10329254	Structure_Complexity	57.2
151318	Hydrogen_Bond_Acceptor_Count	3
70038	XLogP3	3.2
54597740	Undefined_Bond_Stereo_Count	0
59446219	Non-hydrogen_Atom_Count	47
2853458	Molecular_Weight	229.28
43247500	TPSA	27
21910271	Hydrogen_Bond_Acceptor_Count	6
5283344	Defined_Bond_Stereo_Count	1
83953	Defined_Bond_Stereo_Count	0
107780	Rotatable_Bond_Count	6
156120	XLogP3-AA	0
54949	Isotope_Atom_Count	0
57339238	Molecular_Weight	336.21
8747	Mono_Isotopic_Weight	322.999598
445354	Defined_Bond_Stereo_Count	4
87243	Mono_Isotopic_Weight	210.05282342
61719	Rotatable_Bond_Count	4
54158	Defined_Atom_Stereo_Count	0
31060	Defined_Atom_Stereo_Count	0
6921705	Hydrogen_Bond_Donor_Count	4
69240	Hydrogen_Bond_Donor_Count	0
91185	TPSA	41.8
17345	Undefined_Bond_Stereo_Count	0
55397	Undefined_Atom_Stereo_Count	0
99963	Covalent_Unit_Count	1
84849	XLogP3-AA	3.4
98626	Undefined_Bond_Stereo_Count	0
23669619	Hydrogen_Bond_Acceptor_Count	2
46244454	Undefined_Atom_Stereo_Count	0
123585399	Mono_Isotopic_Weight	97.052763847
117266253	Defined_Bond_Stereo_Count	0
91429	Rotatable_Bond_Count	4
9832912	Covalent_Unit_Count	1
148362624	XLogP3-AA	0.9
136498	XLogP3-AA	2
447451	XLogP3-AA	5.4
544590	Defined_Bond_Stereo_Count	0
6434112	Molecular_Weight	416.6
12110	Defined_Atom_Stereo_Count	0
38989055	Rotatable_Bond_Count	6
521381	Molecular_Weight	360.4
15036	Molecular_Weight	100.16
929262	Tautomer_Count	2
86498	Hydrogen_Bond_Acceptor_Count	8
8705	Hydrogen_Bond_Donor_Count	1
14852098	Hydrogen_Bond_Acceptor_Count	2
58453	Hydrogen_Bond_Donor_Count	1
485	Defined_Bond_Stereo_Count	0
54084075	Non-hydrogen_Atom_Count	23
67548	TPSA	20.2
41872	Rotatable_Bond_Count	2
10337564	Exact_Mass	344.152477885
124075	Tautomer_Count	1
11895	Total_Formal_Charge	0
657085	Covalent_Unit_Count	1
17805735	Defined_Atom_Stereo_Count	0
35823	Covalent_Unit_Count	1
78638	Hydrogen_Bond_Acceptor_Count	3
134695314	Defined_Atom_Stereo_Count	9
67850	Exact_Mass	401.80256
47294	Rotatable_Bond_Count	3
63996	Molecular_Weight	308.3
17499	Undefined_Bond_Stereo_Count	0
49757967	Rotatable_Bond_Count	2
19235	TPSA	271
135476260	Hydrogen_Bond_Donor_Count	8
5311035	Undefined_Bond_Stereo_Count	0
688363	Structure_Complexity	276
163883593	Mono_Isotopic_Weight	111.079647300
31369	Undefined_Atom_Stereo_Count	0
23397	Hydrogen_Bond_Acceptor_Count	2
45588096	Structure_Complexity	10300
4630	Undefined_Bond_Stereo_Count	0
42334	Non-hydrogen_Atom_Count	20
76949	Hydrogen_Bond_Acceptor_Count	3
53747824	Hydrogen_Bond_Acceptor_Count	2
135398633	Covalent_Unit_Count	1
22297	Defined_Bond_Stereo_Count	0
238288	Defined_Atom_Stereo_Count	0
75690	Undefined_Atom_Stereo_Count	0
5281758	Structure_Complexity	203
91586	Rotatable_Bond_Count	2
123610848	TPSA	27.1
12240	Exact_Mass	116.120115130
9840517	Defined_Atom_Stereo_Count	1
9855476	Total_Formal_Charge	0
3365	Undefined_Atom_Stereo_Count	0
18504387	Molecular_Weight	82.10
103528	Molecular_Weight	210.27
16106	XLogP3-AA	2.8
143888994	Covalent_Unit_Count	1
135413538	Undefined_Atom_Stereo_Count	0
3694570	Defined_Atom_Stereo_Count	0
18852	Undefined_Atom_Stereo_Count	0
151476	Mono_Isotopic_Weight	235.98105
6521	Defined_Bond_Stereo_Count	0
5281764	XLogP3-AA	2
3781988	Hydrogen_Bond_Donor_Count	0
9543082	Undefined_Bond_Stereo_Count	0
57521	Exact_Mass	564.16787042
5918	Molecular_Weight	109.13
44596665	Hydrogen_Bond_Acceptor_Count	14
142906448	Non-hydrogen_Atom_Count	8
89602862	Molecular_Weight	113.07
198253	Molecular_Weight	133.17
13979010	Hydrogen_Bond_Donor_Count	1
68016	Rotatable_Bond_Count	1
60966	Rotatable_Bond_Count	0
91532137	Defined_Bond_Stereo_Count	0
3242895	Exact_Mass	374.22055744
156615593	TPSA	110
7716	Exact_Mass	218.203450829
8084	Defined_Bond_Stereo_Count	0
606	Exact_Mass	238.03547307
11224	Undefined_Atom_Stereo_Count	1
7267	Undefined_Bond_Stereo_Count	0
6736	Defined_Atom_Stereo_Count	0
443874	Defined_Bond_Stereo_Count	0
10909485	Structure_Complexity	66.3
519247	XLogP3-AA	1.1
60790	Mono_Isotopic_Weight	384.16852187
25114553	Structure_Complexity	665
89493247	Structure_Complexity	104
11519070	Undefined_Bond_Stereo_Count	0
135415564	XLogP3-AA	5.6
9160	Hydrogen_Bond_Donor_Count	1
70713	Tautomer_Count	1
11285792	Hydrogen_Bond_Acceptor_Count	7
23519822	TPSA	151
87479093	Total_Formal_Charge	0
6435808	Non-hydrogen_Atom_Count	18
10027822	Exact_Mass	473.18383758
17963226	Covalent_Unit_Count	1
20435	Hydrogen_Bond_Acceptor_Count	5
31416	TPSA	58.2
58031952	Defined_Bond_Stereo_Count	0
124173720	Molecular_Weight	407.4
61253	Structure_Complexity	269
71750	TPSA	58.7
796857	Undefined_Bond_Stereo_Count	0
51622	Molecular_Weight	268.27
500460	Total_Formal_Charge	0
163468867	Total_Formal_Charge	0
72487	Defined_Bond_Stereo_Count	0
163548545	Exact_Mass	112.052429494
55515	Undefined_Bond_Stereo_Count	0
8902	Rotatable_Bond_Count	4
12456033	Hydrogen_Bond_Donor_Count	0
5486971	Defined_Atom_Stereo_Count	1
154101	Hydrogen_Bond_Acceptor_Count	3
84866	Mono_Isotopic_Weight	191.058243149
5385498	Exact_Mass	428.31378912
1087331	Total_Formal_Charge	0
9798437	Rotatable_Bond_Count	3
185554	Defined_Bond_Stereo_Count	0
100930731	Molecular_Weight	96.13
91758	Hydrogen_Bond_Donor_Count	0
139171223	Non-hydrogen_Atom_Count	47
83167	Undefined_Bond_Stereo_Count	0
185902	Hydrogen_Bond_Acceptor_Count	6
76609483	TPSA	41.8
57031137	Rotatable_Bond_Count	0
2781	Structure_Complexity	376
21948654	TPSA	51.6
84811	Undefined_Atom_Stereo_Count	0
9867605	Hydrogen_Bond_Donor_Count	2
71887	Molecular_Weight	248.28
131750798	Total_Formal_Charge	0
428573	Structure_Complexity	254
59894	XLogP3	1.8
524655	Non-hydrogen_Atom_Count	7
643732	Structure_Complexity	494
2129427	Exact_Mass	309.07495584
12349471	Undefined_Bond_Stereo_Count	0
11908488	Molecular_Weight	342.30
47372	Hydrogen_Bond_Donor_Count	0
70734	Non-hydrogen_Atom_Count	9
24755478	TPSA	166
380611	Defined_Atom_Stereo_Count	0
5288799	Total_Formal_Charge	0
71322980	Undefined_Atom_Stereo_Count	0
571973	Undefined_Atom_Stereo_Count	0
84647715	Covalent_Unit_Count	1
135421124	Mono_Isotopic_Weight	339.98474
60947	Tautomer_Count	1
14821	TPSA	32.1
556	Covalent_Unit_Count	1
736351	Isotope_Atom_Count	0
57445155	TPSA	29.5
193504	Hydrogen_Bond_Acceptor_Count	2
875202	Rotatable_Bond_Count	3
66912	Rotatable_Bond_Count	6
9867812	Structure_Complexity	601
12594	Total_Formal_Charge	0
10510831	Mono_Isotopic_Weight	112.100048391
14194342	XLogP3-AA	0.5
15965	Hydrogen_Bond_Donor_Count	2
3706	XLogP3-AA	2.8
13329881	Exact_Mass	103.063328530
45358180	TPSA	222
10081060	Hydrogen_Bond_Donor_Count	5
165363357	Isotope_Atom_Count	0
85597	Mono_Isotopic_Weight	126.068079557
11098017	Total_Formal_Charge	0
42105518	Hydrogen_Bond_Acceptor_Count	1
146558401	Total_Formal_Charge	0
838844	XLogP3-AA	2.2
5094381	Undefined_Atom_Stereo_Count	0
73707356	Defined_Atom_Stereo_Count	0
70769	Covalent_Unit_Count	1
177870	Hydrogen_Bond_Donor_Count	1
100516	Covalent_Unit_Count	1
5288564	Isotope_Atom_Count	0
136171075	Defined_Atom_Stereo_Count	4
10068207	Defined_Atom_Stereo_Count	0
129009962	Non-hydrogen_Atom_Count	115
10335364	Isotope_Atom_Count	0
71568	Rotatable_Bond_Count	0
21942008	Undefined_Atom_Stereo_Count	0
9022	Total_Formal_Charge	1
22833326	Exact_Mass	446.33960994
9953590	Hydrogen_Bond_Donor_Count	0
20475566	Exact_Mass	112.088815002
156513855	Non-hydrogen_Atom_Count	7
10176082	Rotatable_Bond_Count	0
145562	Total_Formal_Charge	0
10241280	Structure_Complexity	222
20054848	Isotope_Atom_Count	0
61199	Mono_Isotopic_Weight	142.062994177
15639205	Tautomer_Count	1
62398142	Molecular_Weight	110.16
65420	Isotope_Atom_Count	0
21634	Exact_Mass	207.162314293
2796	Undefined_Atom_Stereo_Count	0
19935257	Non-hydrogen_Atom_Count	7
75755	Structure_Complexity	78.7
67247849	Defined_Bond_Stereo_Count	0
16307	Hydrogen_Bond_Donor_Count	0
1289	Structure_Complexity	448
20262	Total_Formal_Charge	0
11326613	Defined_Atom_Stereo_Count	0
17517	Defined_Atom_Stereo_Count	0
92536013	Molecular_Weight	370.5
51755	Structure_Complexity	500
87035	Mono_Isotopic_Weight	192.126263138
445344	Defined_Bond_Stereo_Count	0
15216102	Covalent_Unit_Count	1
63093	XLogP3	6.8
50128	Molecular_Weight	329.9
69677	Undefined_Atom_Stereo_Count	0
83079	Non-hydrogen_Atom_Count	20
56965681	Defined_Atom_Stereo_Count	0
51039095	Structure_Complexity	622
136237316	Mono_Isotopic_Weight	494.25292020
49791	Hydrogen_Bond_Donor_Count	3
24840945	Defined_Bond_Stereo_Count	0
9841863	XLogP3-AA	4.6
441853	Undefined_Atom_Stereo_Count	0
130394	Molecular_Weight	409.4
20325398	XLogP3-AA	0.5
3525005	Undefined_Atom_Stereo_Count	1
165365661	Defined_Atom_Stereo_Count	0
123	Hydrogen_Bond_Acceptor_Count	2
637584	Isotope_Atom_Count	0
9584	Covalent_Unit_Count	1
169235	Non-hydrogen_Atom_Count	17
16683028	Tautomer_Count	1
7851	Defined_Bond_Stereo_Count	0
4812	Undefined_Bond_Stereo_Count	1
6432729	Molecular_Weight	388.7
56972759	Isotope_Atom_Count	0
24802551	Defined_Bond_Stereo_Count	0
89274700	Structure_Complexity	110
48199	Rotatable_Bond_Count	7
23665772	Undefined_Atom_Stereo_Count	2
50980	Hydrogen_Bond_Acceptor_Count	7
162918376	XLogP3-AA	7.5
825921	Isotope_Atom_Count	0
12962871	Defined_Bond_Stereo_Count	0
141869079	Non-hydrogen_Atom_Count	7
7144	Mono_Isotopic_Weight	138.068079557
123258031	Mono_Isotopic_Weight	110.073164938
2796	XLogP3	3.3
165360154	Rotatable_Bond_Count	11
25099474	Molecular_Weight	361.4
54475	Hydrogen_Bond_Acceptor_Count	1
6656	Covalent_Unit_Count	1
13396127	Structure_Complexity	64.6
13207481	Molecular_Weight	117.15
54239389	Undefined_Atom_Stereo_Count	0
54682541	Exact_Mass	1024.3123164
46883935	Total_Formal_Charge	0
82953	Exact_Mass	268.019149
4369579	Hydrogen_Bond_Donor_Count	4
70321834	Isotope_Atom_Count	0
554363	Hydrogen_Bond_Acceptor_Count	3
20680013	Defined_Atom_Stereo_Count	0
24865624	Covalent_Unit_Count	1
4949	Undefined_Atom_Stereo_Count	0
317061	Exact_Mass	97.052763847
11496886	Molecular_Weight	493.24
14866914	Hydrogen_Bond_Donor_Count	0
208910	Hydrogen_Bond_Donor_Count	0
62865	Covalent_Unit_Count	1
638132	Covalent_Unit_Count	1
5281915	TPSA	52.6
15895902	Isotope_Atom_Count	0
5484	Undefined_Atom_Stereo_Count	0
67239	Hydrogen_Bond_Donor_Count	2
6332	Rotatable_Bond_Count	0
764764	Undefined_Bond_Stereo_Count	0
9859093	Molecular_Weight	204.31
5708528	Hydrogen_Bond_Donor_Count	0
64914374	Mono_Isotopic_Weight	112.088815002
449369	Isotope_Atom_Count	0
15636950	Exact_Mass	100.100048391
538333	Non-hydrogen_Atom_Count	8
101614363	Structure_Complexity	366
93896	Structure_Complexity	219
5188	Covalent_Unit_Count	1
20666035	TPSA	34.1
134988089	Undefined_Atom_Stereo_Count	2
5461	Isotope_Atom_Count	0
91575456	Total_Formal_Charge	0
13811	Mono_Isotopic_Weight	526.28768825
5767	Molecular_Weight	376.5
6321	TPSA	64.8
12231	Exact_Mass	61.016378338
5459811	Exact_Mass	426.386166214
135546352	TPSA	50.7
520527	Total_Formal_Charge	0
6228	Hydrogen_Bond_Acceptor_Count	1
4284331	Covalent_Unit_Count	1
24473	Total_Formal_Charge	0
178024	Rotatable_Bond_Count	8
688930	Non-hydrogen_Atom_Count	20
13245	Non-hydrogen_Atom_Count	13
71773445	Exact_Mass	552.03040840
86322	Molecular_Weight	167.20
22833326	Isotope_Atom_Count	0
110968	Structure_Complexity	52.5
267769	Tautomer_Count	1
23679632	Hydrogen_Bond_Donor_Count	1
9396	Undefined_Bond_Stereo_Count	1
3024	Hydrogen_Bond_Donor_Count	0
16052039	Isotope_Atom_Count	0
11550004	Hydrogen_Bond_Donor_Count	1
80875	Non-hydrogen_Atom_Count	36
55291579	Total_Formal_Charge	0
11548000	Rotatable_Bond_Count	12
24807614	Total_Formal_Charge	0
67691	Exact_Mass	122.053178385
7691	Undefined_Atom_Stereo_Count	0
15053	Isotope_Atom_Count	0
93375	Hydrogen_Bond_Acceptor_Count	1
44134815	Hydrogen_Bond_Donor_Count	5
10176672	Rotatable_Bond_Count	1
9543213	Isotope_Atom_Count	0
721310	Covalent_Unit_Count	1
11957609	Mono_Isotopic_Weight	433.21005233
89822	Defined_Atom_Stereo_Count	0
50857	Hydrogen_Bond_Donor_Count	2
7019255	Molecular_Weight	254.4
5391	Covalent_Unit_Count	1
10219163	Undefined_Bond_Stereo_Count	0
12541465	Rotatable_Bond_Count	2
23670359	Isotope_Atom_Count	0
68681	Isotope_Atom_Count	0
92303	Covalent_Unit_Count	2
21831638	Undefined_Bond_Stereo_Count	0
7559	Defined_Atom_Stereo_Count	0
33478	Rotatable_Bond_Count	9
5329103	Molecular_Weight	414.9
8458	Molecular_Weight	217.20
57401196	Structure_Complexity	637
134693629	Structure_Complexity	140
107715	Isotope_Atom_Count	0
3527720	Hydrogen_Bond_Donor_Count	3
13033	TPSA	0
517000	Defined_Bond_Stereo_Count	0
69341308	Defined_Bond_Stereo_Count	0
71750923	Isotope_Atom_Count	0
682654	Total_Formal_Charge	0
23681559	Undefined_Atom_Stereo_Count	0
10912274	Mono_Isotopic_Weight	260.00481
19754	Molecular_Weight	90.19
1566	Isotope_Atom_Count	0
23987	Undefined_Bond_Stereo_Count	0
9939152	Total_Formal_Charge	0
6711153	XLogP3-AA	7.5
12268621	Undefined_Bond_Stereo_Count	0
11081093	Hydrogen_Bond_Donor_Count	0
86439	Undefined_Atom_Stereo_Count	0
54594622	Defined_Bond_Stereo_Count	0
5358751	Rotatable_Bond_Count	5
129316724	XLogP3	2.9
9889867	XLogP3-AA	2.6
72734520	Isotope_Atom_Count	0
11275562	Rotatable_Bond_Count	0
101417753	Non-hydrogen_Atom_Count	16
10160238	Total_Formal_Charge	0
59107469	Defined_Atom_Stereo_Count	0
123298786	Defined_Atom_Stereo_Count	0
129073603	Hydrogen_Bond_Acceptor_Count	9
98500	Structure_Complexity	234
10796722	Molecular_Weight	114.19
11697697	Tautomer_Count	5
534204	Non-hydrogen_Atom_Count	7
11269429	Undefined_Atom_Stereo_Count	0
3325	TPSA	238
68416	Molecular_Weight	287.11
410214	Structure_Complexity	443
74952	Hydrogen_Bond_Acceptor_Count	0
154419142	Molecular_Weight	113.07
11483754	TPSA	52.3
58599	Non-hydrogen_Atom_Count	22
163284980	Hydrogen_Bond_Donor_Count	11
12443800	Molecular_Weight	113.12
135398735	Undefined_Bond_Stereo_Count	0
23080868	Undefined_Bond_Stereo_Count	0
18062	Defined_Atom_Stereo_Count	0
7088	Tautomer_Count	1
11442	Undefined_Bond_Stereo_Count	0
15020	Defined_Atom_Stereo_Count	8
2763750	Undefined_Bond_Stereo_Count	0
4163	Defined_Atom_Stereo_Count	0
5930	Hydrogen_Bond_Donor_Count	6
135968625	Structure_Complexity	1730
34553	Covalent_Unit_Count	1
20767631	Structure_Complexity	104
91465	TPSA	20.2
94403	Molecular_Weight	264.4
12599323	Molecular_Weight	104.15
12940550	Tautomer_Count	5
562634	Exact_Mass	289.11365002
6438712	Exact_Mass	290.15180918
91166722	Hydrogen_Bond_Donor_Count	1
9918	Hydrogen_Bond_Acceptor_Count	1
12537312	Mono_Isotopic_Weight	110.073164938
1550470	Isotope_Atom_Count	0
2807878	Isotope_Atom_Count	0
9831417	Defined_Atom_Stereo_Count	2
68939	Total_Formal_Charge	0
117947097	Exact_Mass	383.04391352
71587831	Undefined_Bond_Stereo_Count	0
22986754	Hydrogen_Bond_Donor_Count	1
54475716	Undefined_Atom_Stereo_Count	3
413457	Hydrogen_Bond_Donor_Count	3
39327	Covalent_Unit_Count	1
91264731	Molecular_Weight	94.15
96354	Structure_Complexity	249
70882	Defined_Bond_Stereo_Count	0
11383075	Hydrogen_Bond_Acceptor_Count	6
13026389	TPSA	0
20387237	Undefined_Bond_Stereo_Count	0
103875	Defined_Atom_Stereo_Count	0
95434	Exact_Mass	114.104465066
11669698	Mono_Isotopic_Weight	456.10564683
703047	Total_Formal_Charge	0
14200531	Non-hydrogen_Atom_Count	8
34296	Undefined_Bond_Stereo_Count	0
119171	Undefined_Bond_Stereo_Count	0
50397	Hydrogen_Bond_Donor_Count	1
70032924	Covalent_Unit_Count	1
90771502	Non-hydrogen_Atom_Count	8
124159	Molecular_Weight	84.12
2451	Undefined_Bond_Stereo_Count	0
71343994	Defined_Atom_Stereo_Count	0
4092	Exact_Mass	160.133753817
19004	Hydrogen_Bond_Acceptor_Count	4
12705074	Undefined_Bond_Stereo_Count	0
31497	Non-hydrogen_Atom_Count	17
544861	XLogP3-AA	0.9
436520	Structure_Complexity	175
20158038	Defined_Bond_Stereo_Count	0
77832	Hydrogen_Bond_Acceptor_Count	3
54311720	Undefined_Bond_Stereo_Count	0
5281708	Rotatable_Bond_Count	1
54020983	Non-hydrogen_Atom_Count	9
18447	Hydrogen_Bond_Donor_Count	1
3035467	Structure_Complexity	136
1548887	Isotope_Atom_Count	0
3064224	Hydrogen_Bond_Donor_Count	2
65662	Mono_Isotopic_Weight	267.125928785
22817	Undefined_Atom_Stereo_Count	0
91865076	Undefined_Bond_Stereo_Count	0
19082030	Molecular_Weight	114.17
1491	TPSA	77.8
82418987	Mono_Isotopic_Weight	111.068413911
94396	Total_Formal_Charge	0
533854	XLogP3-AA	0.7
117791079	Defined_Atom_Stereo_Count	0
55331	Defined_Bond_Stereo_Count	0
24884776	Molecular_Weight	442.6
161930	Molecular_Weight	311.29
10464328	Rotatable_Bond_Count	1
443879	Exact_Mass	325.240564612
20172	Rotatable_Bond_Count	2
3033988	Hydrogen_Bond_Donor_Count	0
118689592	Mono_Isotopic_Weight	665.30474055
22608833	Non-hydrogen_Atom_Count	5
53747824	Undefined_Bond_Stereo_Count	0
15209807	Defined_Atom_Stereo_Count	0
185792	Defined_Bond_Stereo_Count	0
20587930	XLogP3-AA	0.2
11839	Hydrogen_Bond_Acceptor_Count	1
158348	Isotope_Atom_Count	0
72200721	Molecular_Weight	522.4
500460	Hydrogen_Bond_Donor_Count	0
13511919	Isotope_Atom_Count	0
31260	Isotope_Atom_Count	0
22643	Mono_Isotopic_Weight	243.1026065
18312	Hydrogen_Bond_Acceptor_Count	0
267449	Molecular_Weight	286.32
54712667	Undefined_Atom_Stereo_Count	0
446801	Covalent_Unit_Count	1
5280804	Hydrogen_Bond_Donor_Count	8
11235728	Molecular_Weight	429.4
6918289	Defined_Atom_Stereo_Count	15
10255241	Covalent_Unit_Count	1
7649	TPSA	26.3
7337	Defined_Atom_Stereo_Count	0
140377273	Defined_Bond_Stereo_Count	0
839611	XLogP3-AA	2.9
439263	Molecular_Weight	156.26
448372	Covalent_Unit_Count	1
2779024	Isotope_Atom_Count	0
382	Structure_Complexity	1540
62311	Defined_Bond_Stereo_Count	0
59751	Exact_Mass	408.15862589
2225	Molecular_Weight	388.4
17904805	Defined_Bond_Stereo_Count	0
3033690	Structure_Complexity	582
57394212	Molecular_Weight	481.5
5320128	Non-hydrogen_Atom_Count	16
19406	TPSA	72.8
4116	Undefined_Atom_Stereo_Count	0
12452075	Hydrogen_Bond_Donor_Count	0
66813453	Molecular_Weight	101.10
42334	Defined_Atom_Stereo_Count	0
104865	Structure_Complexity	839
55300028	Hydrogen_Bond_Acceptor_Count	1
45588096	Hydrogen_Bond_Donor_Count	58
52988031	Rotatable_Bond_Count	0
15805370	TPSA	17.1
123448160	Isotope_Atom_Count	0
136316	TPSA	0
129691409	Hydrogen_Bond_Donor_Count	3
73343	Covalent_Unit_Count	2
59111489	XLogP3-AA	2.5
7818	Structure_Complexity	54.9
123871431	XLogP3-AA	2.6
123271707	Covalent_Unit_Count	1
10374415	Hydrogen_Bond_Acceptor_Count	1
86855	Structure_Complexity	66.8
63826	Tautomer_Count	50
439577	Hydrogen_Bond_Donor_Count	1
59339316	Hydrogen_Bond_Acceptor_Count	2
29356	Rotatable_Bond_Count	6
4786	Undefined_Bond_Stereo_Count	0
12927948	Total_Formal_Charge	0
1142	Rotatable_Bond_Count	23
13858	Mono_Isotopic_Weight	109.052763847
25164108	Molecular_Weight	273.76
54016283	Undefined_Bond_Stereo_Count	0
129738943	Hydrogen_Bond_Acceptor_Count	2
394156	Structure_Complexity	282
36688241	Exact_Mass	427.20331054
10427712	Defined_Atom_Stereo_Count	0
2115	Tautomer_Count	1
9249	TPSA	0
13082553	TPSA	18.5
145458257	Isotope_Atom_Count	0
19589	Total_Formal_Charge	0
686752	Non-hydrogen_Atom_Count	18
5326159	Undefined_Bond_Stereo_Count	0
137716	Undefined_Atom_Stereo_Count	0
92588	Non-hydrogen_Atom_Count	8
2865	Defined_Atom_Stereo_Count	0
45084999	Hydrogen_Bond_Acceptor_Count	2
99915	Exact_Mass	210.115698455
25271790	Rotatable_Bond_Count	7
18999022	Undefined_Atom_Stereo_Count	2
86278352	Tautomer_Count	12
6973640	Undefined_Atom_Stereo_Count	0
67781	Rotatable_Bond_Count	0
447001	Hydrogen_Bond_Donor_Count	4
22902239	Hydrogen_Bond_Acceptor_Count	2
3035235	Undefined_Bond_Stereo_Count	0
66735	Hydrogen_Bond_Acceptor_Count	1
442076	Defined_Bond_Stereo_Count	0
81595	Exact_Mass	144.068748264
3037565	Exact_Mass	322.25079494
548835	Undefined_Atom_Stereo_Count	0
90181814	Hydrogen_Bond_Acceptor_Count	2
7654	Isotope_Atom_Count	0
24745723	Exact_Mass	221.06228316
2724372	TPSA	36.4
21874242	Structure_Complexity	1720
90125683	Total_Formal_Charge	0
45266646	Defined_Atom_Stereo_Count	8
9898814	Rotatable_Bond_Count	0
11315	Structure_Complexity	523
2608576	Total_Formal_Charge	0
121922	Covalent_Unit_Count	1
21702736	Undefined_Bond_Stereo_Count	0
475320	Defined_Atom_Stereo_Count	2
24360	Mono_Isotopic_Weight	348.11100700
19063438	Rotatable_Bond_Count	0
11858153	TPSA	138
282752	Mono_Isotopic_Weight	245.0091000
15765	Defined_Atom_Stereo_Count	0
15953353	Total_Formal_Charge	0
5395	Rotatable_Bond_Count	0
49798507	XLogP3-AA	1.2
60753	XLogP3-AA	4
2724411	Defined_Bond_Stereo_Count	0
7654	Hydrogen_Bond_Donor_Count	0
67258371	Isotope_Atom_Count	0
6852400	Molecular_Weight	398.0
4175	Hydrogen_Bond_Acceptor_Count	4
18715492	Isotope_Atom_Count	0
446871	Structure_Complexity	900
18068	Defined_Bond_Stereo_Count	0
71112644	Undefined_Bond_Stereo_Count	0
58806257	Defined_Bond_Stereo_Count	0
3506	Rotatable_Bond_Count	12
79297905	Undefined_Bond_Stereo_Count	0
11448496	Non-hydrogen_Atom_Count	11
147614	Undefined_Atom_Stereo_Count	0
9818919	Exact_Mass	331.06920175
10668284	Defined_Atom_Stereo_Count	0
14140758	Total_Formal_Charge	0
19211	Exact_Mass	164.083729621
629365	Undefined_Atom_Stereo_Count	0
16109396	XLogP3-AA	2.6
10476254	Exact_Mass	402.0553392
156024996	Defined_Bond_Stereo_Count	0
11582982	Non-hydrogen_Atom_Count	30
130804	Defined_Bond_Stereo_Count	0
9823454	Defined_Atom_Stereo_Count	1
9818231	Rotatable_Bond_Count	3
77191	Hydrogen_Bond_Donor_Count	0
641245	Undefined_Bond_Stereo_Count	0
9678	Isotope_Atom_Count	0
22320975	Defined_Bond_Stereo_Count	0
70789955	Molecular_Weight	406.9
185698	TPSA	110
53380818	Undefined_Atom_Stereo_Count	0
5237	TPSA	37.3
83960	Defined_Bond_Stereo_Count	0
17985540	Covalent_Unit_Count	1
13165	Defined_Bond_Stereo_Count	0
11116540	Molecular_Weight	173.33
41463	Molecular_Weight	378.9
98882	Undefined_Atom_Stereo_Count	0
70685495	Defined_Atom_Stereo_Count	3
20060494	Molecular_Weight	100.16
11469055	Undefined_Bond_Stereo_Count	0
8087	Non-hydrogen_Atom_Count	9
448925	TPSA	190
28094582	Isotope_Atom_Count	0
125183303	Undefined_Atom_Stereo_Count	0
12200749	Mono_Isotopic_Weight	96.068748264
23663404	Exact_Mass	420.19126830
5288700	Mono_Isotopic_Weight	258.01406892
22882	Molecular_Weight	400.0
2328	Mono_Isotopic_Weight	240.05686342
71395877	TPSA	0
149784	Exact_Mass	277.19026037
53320114	TPSA	25.4
318	Exact_Mass	992.513202
447123	Mono_Isotopic_Weight	337.09437113
12302675	Hydrogen_Bond_Acceptor_Count	11
688043	Rotatable_Bond_Count	1
25749227	TPSA	77.7
12256033	Undefined_Bond_Stereo_Count	0
3775	Undefined_Atom_Stereo_Count	0
133679779	Molecular_Weight	114.19
73829111	Non-hydrogen_Atom_Count	7
11979606	Exact_Mass	1348.67523164
15739357	Defined_Atom_Stereo_Count	0
2569	Molecular_Weight	321.33
5281650	Non-hydrogen_Atom_Count	30
83191	Covalent_Unit_Count	1
13568501	Mono_Isotopic_Weight	111.079647300
9865442	TPSA	83.8
562796	Undefined_Bond_Stereo_Count	0
15232	TPSA	248
104806	Exact_Mass	61.987817862
68012	Defined_Atom_Stereo_Count	0
16051947	Hydrogen_Bond_Acceptor_Count	11
12719155	Exact_Mass	420.396730897
5486830	Defined_Atom_Stereo_Count	1
49866022	Covalent_Unit_Count	1
30160	Undefined_Atom_Stereo_Count	3
14679811	Undefined_Bond_Stereo_Count	0
3314	XLogP3	2
118701651	XLogP3-AA	3.4
5463081	Tautomer_Count	1
16211761	XLogP3-AA	6.1
22832	Structure_Complexity	1640
561	Undefined_Bond_Stereo_Count	0
63991	Molecular_Weight	533.5
68869	Covalent_Unit_Count	1
108199	Hydrogen_Bond_Acceptor_Count	3
14305	Isotope_Atom_Count	0
101671175	Molecular_Weight	748.0
3057	Non-hydrogen_Atom_Count	34
16230	Defined_Atom_Stereo_Count	0
8169	Undefined_Bond_Stereo_Count	0
6919170	Mono_Isotopic_Weight	329.16875960
102135084	Isotope_Atom_Count	0
15942892	Non-hydrogen_Atom_Count	22
14435658	Defined_Bond_Stereo_Count	0
16412	Structure_Complexity	202
17754089	Structure_Complexity	148
9097	XLogP3-AA	5.8
13068	XLogP3	5.1
15110788	Defined_Atom_Stereo_Count	0
18755630	TPSA	9.2
10606708	Hydrogen_Bond_Donor_Count	2
13618	Mono_Isotopic_Weight	195.924948
14338	Mono_Isotopic_Weight	184.100048391
104956	Exact_Mass	366.19434270
66751	Molecular_Weight	234.33
73895182	Non-hydrogen_Atom_Count	23
71643	Covalent_Unit_Count	1
13182523	Total_Formal_Charge	0
10329304	Hydrogen_Bond_Acceptor_Count	2
22720	Exact_Mass	103.099714038
146356470	Covalent_Unit_Count	1
138335	Non-hydrogen_Atom_Count	8
99295	Molecular_Weight	87.15
4284331	Undefined_Atom_Stereo_Count	1
79425	Tautomer_Count	1
12018	XLogP3-AA	0.8
85325038	Hydrogen_Bond_Donor_Count	2
68940	Non-hydrogen_Atom_Count	27
5288631	Undefined_Atom_Stereo_Count	0
534838	Exact_Mass	94.053098200
570605	Mono_Isotopic_Weight	106.053098200
6438372	Isotope_Atom_Count	0
23947	Undefined_Atom_Stereo_Count	0
754780	TPSA	68.5
5534	Hydrogen_Bond_Donor_Count	0
168963	Molecular_Weight	375.75
179334	TPSA	60.9
11967214	Structure_Complexity	326
23667629	Total_Formal_Charge	0
23982	Rotatable_Bond_Count	0
22624677	Defined_Atom_Stereo_Count	0
9908783	Undefined_Bond_Stereo_Count	0
5388961	TPSA	171
20323899	Covalent_Unit_Count	1
69534	Defined_Bond_Stereo_Count	0
78324	Rotatable_Bond_Count	4
64973730	Hydrogen_Bond_Donor_Count	2
91399	Exact_Mass	460.30111643
5497105	Mono_Isotopic_Weight	447.17015238
6919055	Hydrogen_Bond_Acceptor_Count	3
9942657	Hydrogen_Bond_Acceptor_Count	4
3869	Defined_Atom_Stereo_Count	0
5391	Undefined_Atom_Stereo_Count	1
68717	Hydrogen_Bond_Acceptor_Count	4
4669250	Rotatable_Bond_Count	0
3775	Defined_Atom_Stereo_Count	0
23597592	Hydrogen_Bond_Donor_Count	1
5288615	Defined_Atom_Stereo_Count	1
129630288	Hydrogen_Bond_Donor_Count	8
134820051	XLogP3-AA	2.5
19687	Hydrogen_Bond_Acceptor_Count	8
11419776	Structure_Complexity	608
449555	TPSA	428
644213	Mono_Isotopic_Weight	276.0301698
44201376	Mono_Isotopic_Weight	458.19540532
78148	Non-hydrogen_Atom_Count	6
14464	Hydrogen_Bond_Donor_Count	4
53848219	Hydrogen_Bond_Donor_Count	0
941915	Undefined_Atom_Stereo_Count	0
164685	Hydrogen_Bond_Acceptor_Count	10
935707	Isotope_Atom_Count	0
522708	Covalent_Unit_Count	1
2763750	Undefined_Atom_Stereo_Count	0
68044	Total_Formal_Charge	0
185617	Defined_Atom_Stereo_Count	5
28467	Defined_Bond_Stereo_Count	0
10614	XLogP3-AA	5.3
6851	Total_Formal_Charge	0
141704	Isotope_Atom_Count	0
73538	Undefined_Atom_Stereo_Count	0
22123474	Undefined_Atom_Stereo_Count	1
6918663	Rotatable_Bond_Count	7
5473268	Total_Formal_Charge	0
90921336	Undefined_Atom_Stereo_Count	1
11953153	Structure_Complexity	746
18506394	Covalent_Unit_Count	1
145706202	Molecular_Weight	485.0
451068	Total_Formal_Charge	0
131954763	Total_Formal_Charge	0
5359371	Total_Formal_Charge	0
151245	XLogP3-AA	3
47499	Non-hydrogen_Atom_Count	36
104798	Total_Formal_Charge	2
131843960	Molecular_Weight	461.8
512138	Isotope_Atom_Count	0
35076	Non-hydrogen_Atom_Count	19
53848219	Molecular_Weight	100.08
49865919	XLogP3-AA	3.6
11239	Hydrogen_Bond_Donor_Count	0
139920	Defined_Bond_Stereo_Count	0
6456015	Covalent_Unit_Count	2
122345	Undefined_Atom_Stereo_Count	1
21322953	Hydrogen_Bond_Acceptor_Count	2
60196323	Exact_Mass	392.1689124
11539235	Defined_Atom_Stereo_Count	0
11712071	Molecular_Weight	450.0
8422	Mono_Isotopic_Weight	202.062994177
19876500	Isotope_Atom_Count	0
21447199	Structure_Complexity	66.5
81058	Isotope_Atom_Count	0
10436	Mono_Isotopic_Weight	124.052429494
15286	Covalent_Unit_Count	1
24762165	Covalent_Unit_Count	1
21932619	Undefined_Bond_Stereo_Count	0
2736567	Hydrogen_Bond_Donor_Count	1
442070	Rotatable_Bond_Count	1
3958	TPSA	61.7
5281417	Exact_Mass	340.07943208
87714328	Rotatable_Bond_Count	2
123673485	Defined_Atom_Stereo_Count	0
54541930	Mono_Isotopic_Weight	115.063328530
53319741	Rotatable_Bond_Count	3
2336530	Total_Formal_Charge	0
6327546	Molecular_Weight	233.18
10286	Defined_Bond_Stereo_Count	0
15567	Defined_Bond_Stereo_Count	0
15649173	Exact_Mass	103.099714038
23283001	Mono_Isotopic_Weight	108.093900383
2418	Isotope_Atom_Count	0
96600	Covalent_Unit_Count	1
11618	Molecular_Weight	100.16
5241	Defined_Bond_Stereo_Count	0
78414	XLogP3-AA	1
16095274	Undefined_Bond_Stereo_Count	0
71072050	Undefined_Atom_Stereo_Count	0
2734664	Exact_Mass	140.065741536
23269081	TPSA	0
5062223	Undefined_Bond_Stereo_Count	0
102492967	Defined_Atom_Stereo_Count	0
18597	Mono_Isotopic_Weight	150.104465066
6937	Exact_Mass	164.120115130
9394	Non-hydrogen_Atom_Count	40
19078026	Molecular_Weight	99.13
266052	Total_Formal_Charge	0
60585	Covalent_Unit_Count	2
3704	Isotope_Atom_Count	0
14308604	Total_Formal_Charge	0
70763	Exact_Mass	142.135765193
6927356	Undefined_Atom_Stereo_Count	0
87417871	Hydrogen_Bond_Acceptor_Count	1
71295848	Exact_Mass	201.95763530
74859	Structure_Complexity	48
76263	Rotatable_Bond_Count	4
131748870	Molecular_Weight	69.86
79612800	XLogP3-AA	0.7
2733532	Hydrogen_Bond_Acceptor_Count	6
16686	TPSA	0
580057	Isotope_Atom_Count	0
7372	Hydrogen_Bond_Acceptor_Count	0
12814875	Undefined_Bond_Stereo_Count	0
67278	Structure_Complexity	187
5321950	XLogP3-AA	0.9
23519621	Tautomer_Count	1
18471709	Undefined_Atom_Stereo_Count	1
67598	Mono_Isotopic_Weight	203.99826287
11346	Molecular_Weight	165.15
712421	Hydrogen_Bond_Donor_Count	2
35676	Molecular_Weight	214.19
183812	Structure_Complexity	649
24865390	Total_Formal_Charge	0
25143624	Tautomer_Count	10
6433334	Exact_Mass	434.08412
19789137	Defined_Atom_Stereo_Count	0
51346127	Exact_Mass	602.43351033
166775	Total_Formal_Charge	0
5706540	Molecular_Weight	301.46
2724640	Total_Formal_Charge	0
19031522	Defined_Atom_Stereo_Count	0
37646	Hydrogen_Bond_Acceptor_Count	2
10569	Isotope_Atom_Count	0
143852	Structure_Complexity	91.2
5311497	Defined_Bond_Stereo_Count	0
31425	Defined_Atom_Stereo_Count	0
4593	Defined_Bond_Stereo_Count	0
96380	Mono_Isotopic_Weight	203.094628657
820051	Non-hydrogen_Atom_Count	12
444360	Covalent_Unit_Count	1
224844	Isotope_Atom_Count	0
9909846	Molecular_Weight	416.6
551778	TPSA	51.2
74098	Total_Formal_Charge	0
10084648	XLogP3-AA	3.5
69968	Rotatable_Bond_Count	18
22754629	Hydrogen_Bond_Acceptor_Count	2
51030898	Undefined_Bond_Stereo_Count	0
158781	Isotope_Atom_Count	0
57535	Hydrogen_Bond_Acceptor_Count	4
13120	Rotatable_Bond_Count	4
138106574	XLogP3-AA	2.1
61247	Non-hydrogen_Atom_Count	7
21900379	Defined_Bond_Stereo_Count	0
57131009	TPSA	9.2
49087	Undefined_Bond_Stereo_Count	0
13235329	Molecular_Weight	94.15
594090	TPSA	28.7
51049968	Hydrogen_Bond_Donor_Count	2
5359367	Undefined_Bond_Stereo_Count	0
73024	Defined_Bond_Stereo_Count	0
46224600	Exact_Mass	1633.5887776
9804219	Non-hydrogen_Atom_Count	32
135398737	XLogP3-AA	3.1
2734680	Total_Formal_Charge	0
24848345	Isotope_Atom_Count	0
163432987	Isotope_Atom_Count	0
60059	Defined_Atom_Stereo_Count	0
71258	Hydrogen_Bond_Acceptor_Count	6
5280804	Non-hydrogen_Atom_Count	33
6433198	Covalent_Unit_Count	3
135524781	Covalent_Unit_Count	5
16067950	Undefined_Atom_Stereo_Count	0
14804	Covalent_Unit_Count	3
3037032	Tautomer_Count	1
3884	Isotope_Atom_Count	0
2761399	XLogP3	0.4
130224411	Undefined_Bond_Stereo_Count	0
8678	Mono_Isotopic_Weight	182.105527694
528630	Mono_Isotopic_Weight	115.099714038
135889896	Defined_Bond_Stereo_Count	5
50312	Defined_Atom_Stereo_Count	4
23667628	Undefined_Atom_Stereo_Count	0
7172302	Defined_Bond_Stereo_Count	0
6438149	Mono_Isotopic_Weight	368.21988874
25199807	Structure_Complexity	103
9995043	Undefined_Atom_Stereo_Count	0
952882	Isotope_Atom_Count	0
15664	Exact_Mass	184.100048391
529435	Non-hydrogen_Atom_Count	13
10666310	Total_Formal_Charge	0
31398	Total_Formal_Charge	0
107715	Tautomer_Count	4
53262012	Covalent_Unit_Count	1
6420033	Structure_Complexity	176
2350	Mono_Isotopic_Weight	388.1553704
139079243	Defined_Atom_Stereo_Count	0
3388	Undefined_Atom_Stereo_Count	0
2392	Undefined_Bond_Stereo_Count	0
13611194	Hydrogen_Bond_Donor_Count	0
14330987	Non-hydrogen_Atom_Count	9
13443454	Hydrogen_Bond_Acceptor_Count	1
90125683	Hydrogen_Bond_Donor_Count	0
5325263	Hydrogen_Bond_Acceptor_Count	2
81358402	Non-hydrogen_Atom_Count	8
23896	Tautomer_Count	1
69488026	Hydrogen_Bond_Donor_Count	0
135905454	Hydrogen_Bond_Acceptor_Count	5
123870	Undefined_Atom_Stereo_Count	1
86307	Covalent_Unit_Count	1
15405197	TPSA	6.5
6440180	Defined_Atom_Stereo_Count	4
21365956	Mono_Isotopic_Weight	281.12766012
91166883	Structure_Complexity	124
787717	TPSA	79.4
6080476	Undefined_Atom_Stereo_Count	1
23505018	Undefined_Bond_Stereo_Count	0
34850	Defined_Bond_Stereo_Count	0
151449	TPSA	20.2
7984	Tautomer_Count	2
9909677	Tautomer_Count	10
8742	Rotatable_Bond_Count	1
11263485	Structure_Complexity	53.5
11062545	Exact_Mass	113.058911855
448979	Tautomer_Count	1
28830	Non-hydrogen_Atom_Count	19
66383	Exact_Mass	541.23455300
5829	TPSA	6.5
91394869	Defined_Bond_Stereo_Count	0
12741	Isotope_Atom_Count	0
4614	Covalent_Unit_Count	1
616573	Mono_Isotopic_Weight	235.110947427
87962	Mono_Isotopic_Weight	205.146664230
1219	Structure_Complexity	237
40566100	Defined_Bond_Stereo_Count	0
23433606	Exact_Mass	218.084398327
86510	Covalent_Unit_Count	1
7940	Hydrogen_Bond_Acceptor_Count	3
7678	Covalent_Unit_Count	1
8116	Tautomer_Count	1
15047014	Rotatable_Bond_Count	1
56436	Hydrogen_Bond_Donor_Count	0
117810308	Non-hydrogen_Atom_Count	7
41331	Mono_Isotopic_Weight	144.04225873
5587	Undefined_Bond_Stereo_Count	0
9969573	Structure_Complexity	606
13611195	TPSA	0
23158752	Undefined_Bond_Stereo_Count	0
145151604	TPSA	56.2
40438	Structure_Complexity	330
15230353	XLogP3-AA	3.9
444679	TPSA	20.2
8540	Hydrogen_Bond_Donor_Count	1
656652	Molecular_Weight	283.33
104607	TPSA	44.4
56436	TPSA	45.2
9843640	Isotope_Atom_Count	0
16052015	Undefined_Bond_Stereo_Count	0
14900	Undefined_Bond_Stereo_Count	0
498142	Hydrogen_Bond_Donor_Count	4
17671	Hydrogen_Bond_Donor_Count	0
57392503	Undefined_Bond_Stereo_Count	0
17348	Total_Formal_Charge	0
156460742	Molecular_Weight	117.15
163872483	Undefined_Atom_Stereo_Count	3
521158	Undefined_Bond_Stereo_Count	0
87480477	Isotope_Atom_Count	0
12023383	Exact_Mass	102.068079557
76989	Hydrogen_Bond_Acceptor_Count	0
53408681	Rotatable_Bond_Count	1
77050446	Undefined_Atom_Stereo_Count	0
15427	TPSA	12.4
7011	Exact_Mass	163.099714038
15587	Covalent_Unit_Count	2
2647	Structure_Complexity	715
22447183	Covalent_Unit_Count	1
154734215	Undefined_Bond_Stereo_Count	0
8263	Isotope_Atom_Count	0
9340	Defined_Bond_Stereo_Count	0
10887743	Non-hydrogen_Atom_Count	93
31872	Hydrogen_Bond_Acceptor_Count	2
2724054	Hydrogen_Bond_Donor_Count	1
57077234	Exact_Mass	112.088815002
11105314	Defined_Atom_Stereo_Count	0
90643	Covalent_Unit_Count	1
46909057	Structure_Complexity	557
13019077	TPSA	60.7
16404350	Undefined_Atom_Stereo_Count	9
4432690	Defined_Bond_Stereo_Count	0
10080341	Rotatable_Bond_Count	0
99342	Exact_Mass	358.240898965
139060830	Mono_Isotopic_Weight	269.116426730
62705861	Undefined_Atom_Stereo_Count	0
57292	Molecular_Weight	288.85
6168933	Rotatable_Bond_Count	40
39503	TPSA	42
12502855	Rotatable_Bond_Count	0
6992086	Total_Formal_Charge	0
11083859	Defined_Atom_Stereo_Count	0
139088888	Molecular_Weight	921.0
24847750	Rotatable_Bond_Count	1
86399	Total_Formal_Charge	0
16078	Rotatable_Bond_Count	4
18330928	Hydrogen_Bond_Acceptor_Count	1
118946372	Structure_Complexity	1000
92222	Molecular_Weight	197.19
5351489	Rotatable_Bond_Count	2
14295	XLogP3	2.4
11815817	Undefined_Bond_Stereo_Count	0
117045887	Defined_Bond_Stereo_Count	0
47670	Isotope_Atom_Count	0
9543528	Undefined_Atom_Stereo_Count	0
34474	Isotope_Atom_Count	0
6632	Defined_Bond_Stereo_Count	0
161973	Molecular_Weight	296.5
14968486	Exact_Mass	114.068079557
9254	Defined_Atom_Stereo_Count	0
468076	Undefined_Bond_Stereo_Count	0
119606	Defined_Atom_Stereo_Count	0
139080230	Hydrogen_Bond_Acceptor_Count	9
7667	Hydrogen_Bond_Donor_Count	0
44557554	Exact_Mass	528.27121086
16371051	XLogP3	3.1
85979179	XLogP3-AA	0.7
1549004	Defined_Bond_Stereo_Count	1
25117126	Mono_Isotopic_Weight	510.14094222
90930062	TPSA	55.4
10336591	Rotatable_Bond_Count	2
4796	Non-hydrogen_Atom_Count	33
15900	Defined_Bond_Stereo_Count	0
71777706	Rotatable_Bond_Count	6
10866300	Structure_Complexity	101
107639	Structure_Complexity	0
8365	Defined_Atom_Stereo_Count	0
11457675	Rotatable_Bond_Count	3
44521016	Defined_Atom_Stereo_Count	0
26248	Total_Formal_Charge	0
253878	Defined_Atom_Stereo_Count	0
65894	Total_Formal_Charge	0
84148	Mono_Isotopic_Weight	112.063662883
522131	Hydrogen_Bond_Donor_Count	1
12394846	Total_Formal_Charge	0
11063784	Defined_Atom_Stereo_Count	2
70695758	Hydrogen_Bond_Donor_Count	2
82650934	Undefined_Bond_Stereo_Count	0
9861147	Mono_Isotopic_Weight	300.208930132
73110	Structure_Complexity	1010
69632065	Non-hydrogen_Atom_Count	8
40467016	Hydrogen_Bond_Donor_Count	1
9832301	Undefined_Atom_Stereo_Count	0
14443	Hydrogen_Bond_Acceptor_Count	6
42808	Exact_Mass	155.930033
104850	Total_Formal_Charge	0
135398558	Undefined_Bond_Stereo_Count	0
59630	Undefined_Atom_Stereo_Count	2
236666	XLogP3-AA	4
31952	Covalent_Unit_Count	1
4929	Mono_Isotopic_Weight	241.13611680
10612	Undefined_Atom_Stereo_Count	0
19859	Non-hydrogen_Atom_Count	9
71364	Mono_Isotopic_Weight	1303.66079514
23525993	Rotatable_Bond_Count	3
11503692	Rotatable_Bond_Count	7
68094	Undefined_Bond_Stereo_Count	0
129645691	Defined_Bond_Stereo_Count	0
69392	Undefined_Atom_Stereo_Count	0
59174488	Structure_Complexity	561
408536	Undefined_Atom_Stereo_Count	1
15365	Hydrogen_Bond_Donor_Count	0
140203	TPSA	44.2
85693614	Non-hydrogen_Atom_Count	8
382	Defined_Atom_Stereo_Count	0
41466	Exact_Mass	130.074227566
70689445	Molecular_Weight	446.3
143694905	Non-hydrogen_Atom_Count	7
159772	Undefined_Bond_Stereo_Count	0
77050446	Defined_Atom_Stereo_Count	0
44237360	Non-hydrogen_Atom_Count	44
117217480	Defined_Bond_Stereo_Count	0
94398	Hydrogen_Bond_Donor_Count	0
81971	Mono_Isotopic_Weight	458.00663923
20587905	Molecular_Weight	59.82
652840	Non-hydrogen_Atom_Count	30
58097518	Hydrogen_Bond_Acceptor_Count	2
14572930	TPSA	44.8
11263488	Hydrogen_Bond_Acceptor_Count	1
194383	Isotope_Atom_Count	0
10309899	Defined_Bond_Stereo_Count	0
124246	Total_Formal_Charge	0
71305034	Hydrogen_Bond_Donor_Count	2
77763	Exact_Mass	154.135765193
99798	Covalent_Unit_Count	1
164685	Exact_Mass	493.98641756
62760	Undefined_Atom_Stereo_Count	0
59157244	Exact_Mass	114.104465066
42601552	Isotope_Atom_Count	0
43935	Hydrogen_Bond_Acceptor_Count	3
54337282	Undefined_Bond_Stereo_Count	0
99327	Tautomer_Count	4
24955007	Isotope_Atom_Count	0
3014295	TPSA	56.7
10857507	Rotatable_Bond_Count	3
56832511	Mono_Isotopic_Weight	475.13996221
9854489	Covalent_Unit_Count	1
7	Defined_Bond_Stereo_Count	0
72862	Non-hydrogen_Atom_Count	13
146689208	Defined_Atom_Stereo_Count	0
9548714	Undefined_Bond_Stereo_Count	0
718618	Isotope_Atom_Count	0
65335	Defined_Bond_Stereo_Count	0
161764	Non-hydrogen_Atom_Count	29
3037070	Undefined_Atom_Stereo_Count	0
6438331	Defined_Atom_Stereo_Count	2
15951416	Mono_Isotopic_Weight	342.14806121
57992058	Defined_Bond_Stereo_Count	0
20548464	Undefined_Atom_Stereo_Count	0
57565875	Undefined_Atom_Stereo_Count	0
638047	Rotatable_Bond_Count	2
49789564	Defined_Atom_Stereo_Count	0
11228026	Isotope_Atom_Count	0
14707	Tautomer_Count	3
137295275	Exact_Mass	1029.60248569
135436539	Undefined_Atom_Stereo_Count	0
96386	Exact_Mass	214.229665576
15826366	Defined_Atom_Stereo_Count	0
9942132	Undefined_Atom_Stereo_Count	1
14180	Molecular_Weight	334.22
1107	Mono_Isotopic_Weight	248.214015512
5280440	Total_Formal_Charge	0
67215	Hydrogen_Bond_Donor_Count	0
11263727	Undefined_Bond_Stereo_Count	0
6671	Hydrogen_Bond_Donor_Count	0
87293	Undefined_Bond_Stereo_Count	0
53325997	Structure_Complexity	695
444503	Covalent_Unit_Count	1
58795738	Covalent_Unit_Count	1
84339	Rotatable_Bond_Count	2
5277135	Tautomer_Count	1
5287971	Isotope_Atom_Count	0
33637	Total_Formal_Charge	0
94508	Defined_Atom_Stereo_Count	0
11181	Mono_Isotopic_Weight	100.063662883
11234351	Molecular_Weight	380.4
10340	TPSA	63.2
24849134	Undefined_Bond_Stereo_Count	0
118897473	Hydrogen_Bond_Acceptor_Count	3
2734164	Defined_Atom_Stereo_Count	0
501728	Isotope_Atom_Count	0
22967022	Defined_Bond_Stereo_Count	0
53494692	Hydrogen_Bond_Acceptor_Count	4
5057599	Undefined_Bond_Stereo_Count	0
520660	Undefined_Bond_Stereo_Count	0
19362293	Total_Formal_Charge	0
10532	Mono_Isotopic_Weight	535.17221
75394	Structure_Complexity	118
287180	TPSA	70.5
53643041	Non-hydrogen_Atom_Count	8
1821	Hydrogen_Bond_Donor_Count	4
15107	Isotope_Atom_Count	0
12344797	Exact_Mass	112.063662883
19235	Covalent_Unit_Count	1
156651923	Structure_Complexity	113
56682312	Structure_Complexity	718
89504167	Total_Formal_Charge	0
325003	Undefined_Atom_Stereo_Count	2
6918025	Defined_Atom_Stereo_Count	8
16600	Rotatable_Bond_Count	5
14803	Structure_Complexity	4
639661	Molecular_Weight	84.16
159952	Defined_Bond_Stereo_Count	0
22277879	Mono_Isotopic_Weight	116.083729621
12787246	Undefined_Bond_Stereo_Count	0
72652	XLogP3-AA	3.2
140523	Structure_Complexity	194
4237	Covalent_Unit_Count	1
72886	Total_Formal_Charge	0
44246477	Structure_Complexity	382
6324604	Defined_Bond_Stereo_Count	1
15517313	Exact_Mass	689.64509729
46943432	Hydrogen_Bond_Acceptor_Count	5
8969	Rotatable_Bond_Count	2
16431	Defined_Bond_Stereo_Count	0
4761	Isotope_Atom_Count	0
9909202	Total_Formal_Charge	0
6432115	Defined_Atom_Stereo_Count	0
14494975	Structure_Complexity	138
117752163	Covalent_Unit_Count	1
55560	Non-hydrogen_Atom_Count	40
642765	Total_Formal_Charge	0
9841259	Undefined_Atom_Stereo_Count	0
969097	Mono_Isotopic_Weight	288.11100700
172306	Isotope_Atom_Count	0
92463	XLogP3-AA	2.1
91482	Hydrogen_Bond_Acceptor_Count	4
5232618	Mono_Isotopic_Weight	295.217423870
101684738	Hydrogen_Bond_Donor_Count	1
62760	Defined_Atom_Stereo_Count	0
5281609	Undefined_Atom_Stereo_Count	0
544629	Exact_Mass	99.068413911
521289	Structure_Complexity	2.8
135398737	Non-hydrogen_Atom_Count	23
81618	Defined_Atom_Stereo_Count	0
6096207	Structure_Complexity	2540
8855	Mono_Isotopic_Weight	106.0185425
6992101	TPSA	67.8
5319765	Defined_Atom_Stereo_Count	0
124921374	Covalent_Unit_Count	1
185617	Hydrogen_Bond_Donor_Count	7
272696	Structure_Complexity	82.7
136393889	Mono_Isotopic_Weight	110.02286070
73013349	Total_Formal_Charge	0
48080	Defined_Atom_Stereo_Count	0
11546620	Structure_Complexity	680
265370	TPSA	20.1
117979204	Covalent_Unit_Count	1
897177	Molecular_Weight	349.4
87612217	Hydrogen_Bond_Acceptor_Count	4
56845432	Non-hydrogen_Atom_Count	12
76038	Mono_Isotopic_Weight	394.40354761
10678204	Undefined_Atom_Stereo_Count	1
40467895	Mono_Isotopic_Weight	610.13631276
65664	Tautomer_Count	1
135406870	XLogP3-AA	0.9
15485370	TPSA	66.8
18447	Structure_Complexity	423
52943923	Defined_Bond_Stereo_Count	0
45	Undefined_Atom_Stereo_Count	0
10080510	Total_Formal_Charge	0
6436633	Tautomer_Count	1
139336513	Molecular_Weight	112.17
6377	Exact_Mass	57.057849228
46187519	Hydrogen_Bond_Donor_Count	1
10507011	Undefined_Bond_Stereo_Count	0
21030991	Molecular_Weight	112.09
13021	Undefined_Bond_Stereo_Count	0
23465004	Defined_Atom_Stereo_Count	0
26248	TPSA	124
41368	Non-hydrogen_Atom_Count	20
38911	Molecular_Weight	268.35
89334461	Hydrogen_Bond_Donor_Count	0
6974	Defined_Bond_Stereo_Count	0
10253143	Non-hydrogen_Atom_Count	29
239819	Defined_Bond_Stereo_Count	0
661958	Exact_Mass	286.9953820
5486198	Non-hydrogen_Atom_Count	17
8205	Rotatable_Bond_Count	12
22630677	Mono_Isotopic_Weight	107.048347172
72913	Undefined_Atom_Stereo_Count	0
107918	Hydrogen_Bond_Donor_Count	11
26923	Molecular_Weight	150.23
105426930	Rotatable_Bond_Count	0
101248703	Hydrogen_Bond_Acceptor_Count	7
70991	Molecular_Weight	180.20
502272	Exact_Mass	346.14884905
5650	Undefined_Atom_Stereo_Count	1
58468	Undefined_Bond_Stereo_Count	0
517044	Tautomer_Count	1
676166	Undefined_Bond_Stereo_Count	0
107999	Mono_Isotopic_Weight	315.1138399
129669019	Undefined_Bond_Stereo_Count	0
5353521	Total_Formal_Charge	0
2331	XLogP3	0.6
66950	TPSA	67.5
12488	Undefined_Bond_Stereo_Count	0
44291156	Defined_Atom_Stereo_Count	15
77011628	Molecular_Weight	101.10
9578243	Total_Formal_Charge	0
73707487	XLogP3	1.9
38200	Non-hydrogen_Atom_Count	21
4363644	Isotope_Atom_Count	0
54740489	Mono_Isotopic_Weight	390.0111167
141285438	Structure_Complexity	101
5321948	TPSA	87
15081	Defined_Bond_Stereo_Count	0
4675622	Hydrogen_Bond_Acceptor_Count	4
729483	Defined_Bond_Stereo_Count	0
57913	Non-hydrogen_Atom_Count	8
53621	Undefined_Atom_Stereo_Count	1
22034820	Mono_Isotopic_Weight	111.032028402
70686471	Isotope_Atom_Count	0
97171	Covalent_Unit_Count	1
4113127	Exact_Mass	104.094963011
636398	Defined_Bond_Stereo_Count	0
90571	Isotope_Atom_Count	0
400769	Hydrogen_Bond_Donor_Count	0
5148195	Hydrogen_Bond_Donor_Count	0
136266076	Hydrogen_Bond_Acceptor_Count	4
6400271	Total_Formal_Charge	0
90579	Tautomer_Count	13
90488715	Defined_Atom_Stereo_Count	10
54033586	Undefined_Atom_Stereo_Count	2
54681041	Molecular_Weight	585.6
78438	Structure_Complexity	345
9548620	Exact_Mass	373.05012353
11957590	Hydrogen_Bond_Donor_Count	3
6321424	Rotatable_Bond_Count	8
95559	Undefined_Atom_Stereo_Count	1
71453749	XLogP3-AA	3.6
13584912	Defined_Bond_Stereo_Count	0
44338843	XLogP3-AA	2.9
42337	Isotope_Atom_Count	0
80375	XLogP3	4.3
160743751	Undefined_Atom_Stereo_Count	0
166548151	Mono_Isotopic_Weight	107.073499291
41508	Isotope_Atom_Count	0
11643997	Structure_Complexity	137
2174	Covalent_Unit_Count	1
5717801	Molecular_Weight	479.8
115234	Undefined_Bond_Stereo_Count	0
10217	Defined_Atom_Stereo_Count	0
93563	Isotope_Atom_Count	0
27755	Mono_Isotopic_Weight	417.08169844
46470	Tautomer_Count	2
88336	Rotatable_Bond_Count	0
111	Exact_Mass	132.05349212
10892	Undefined_Atom_Stereo_Count	0
20605384	Undefined_Bond_Stereo_Count	0
44404642	TPSA	95.2
5285554	Covalent_Unit_Count	1
53701126	Molecular_Weight	109.17
938845	Hydrogen_Bond_Donor_Count	0
64956	Molecular_Weight	103.12
11954321	Exact_Mass	251.06545379
164584	Undefined_Bond_Stereo_Count	0
75577315	Mono_Isotopic_Weight	116.047344113
8870	Molecular_Weight	129.59
146171122	Rotatable_Bond_Count	4
130121992	Hydrogen_Bond_Acceptor_Count	3
88729	Total_Formal_Charge	0
154578334	Hydrogen_Bond_Donor_Count	2
9570093	Rotatable_Bond_Count	4
550206	TPSA	45.5
712967	Structure_Complexity	444
6437842	Isotope_Atom_Count	0
34192	Covalent_Unit_Count	1
11032	Exact_Mass	313.13477939
79828	Rotatable_Bond_Count	3
134931805	Hydrogen_Bond_Donor_Count	0
4762	Defined_Atom_Stereo_Count	0
16129665	Undefined_Bond_Stereo_Count	0
86510	Undefined_Atom_Stereo_Count	1
11142	TPSA	0
96809	Isotope_Atom_Count	0
10813654	Hydrogen_Bond_Acceptor_Count	10
55414	Undefined_Bond_Stereo_Count	0
11715766	Undefined_Bond_Stereo_Count	0
12896	Exact_Mass	242.08037557
24971342	Isotope_Atom_Count	0
4587	Isotope_Atom_Count	0
24977223	Structure_Complexity	124
26975	Rotatable_Bond_Count	4
1535935	Exact_Mass	132.05349212
398593	Hydrogen_Bond_Donor_Count	2
752609	Exact_Mass	320.13722174
160508452	Defined_Bond_Stereo_Count	0
54537	Tautomer_Count	2
91749	Exact_Mass	221.0243562
118115	Undefined_Atom_Stereo_Count	1
10242	Structure_Complexity	327
130354549	Non-hydrogen_Atom_Count	7
10950142	Undefined_Bond_Stereo_Count	0
2453568	Molecular_Weight	184.19
53870	Non-hydrogen_Atom_Count	18
177976	Isotope_Atom_Count	0
7642	Defined_Bond_Stereo_Count	0
6604557	Defined_Bond_Stereo_Count	0
65792	Covalent_Unit_Count	1
64142	Defined_Atom_Stereo_Count	5
16667503	Undefined_Bond_Stereo_Count	0
11815817	Undefined_Atom_Stereo_Count	0
24864462	Undefined_Bond_Stereo_Count	0
80283	Non-hydrogen_Atom_Count	7
459140	Exact_Mass	314.105527694
56955285	Rotatable_Bond_Count	3
53364498	Rotatable_Bond_Count	4
4260	Hydrogen_Bond_Acceptor_Count	4
89390	Hydrogen_Bond_Donor_Count	2
13785328	Molecular_Weight	384.5
674188	Mono_Isotopic_Weight	333.11764973
9623	Isotope_Atom_Count	0
12449	Isotope_Atom_Count	0
54675842	XLogP3	2.5
54006055	Defined_Bond_Stereo_Count	0
5230729	Hydrogen_Bond_Acceptor_Count	1
72207351	Non-hydrogen_Atom_Count	7
7854	Hydrogen_Bond_Acceptor_Count	1
7111	Molecular_Weight	184.24
13521831	XLogP3-AA	0.8
4047281	Defined_Atom_Stereo_Count	0
134689784	Molecular_Weight	702.9
163255537	Hydrogen_Bond_Donor_Count	0
10358218	Rotatable_Bond_Count	6
40146	Molecular_Weight	240.30
83096	Defined_Atom_Stereo_Count	0
67511	Undefined_Bond_Stereo_Count	0
11235541	Hydrogen_Bond_Acceptor_Count	7
88977	Non-hydrogen_Atom_Count	23
54046302	TPSA	46.2
67626	Structure_Complexity	261
11009533	XLogP3-AA	2
44176376	Total_Formal_Charge	1
91021644	Hydrogen_Bond_Acceptor_Count	1
4558	Undefined_Bond_Stereo_Count	1
854418	Molecular_Weight	267.28
26175	Tautomer_Count	1
94314	TPSA	50.6
148197	Undefined_Bond_Stereo_Count	0
19845539	Rotatable_Bond_Count	0
12509714	Non-hydrogen_Atom_Count	7
834519	Undefined_Atom_Stereo_Count	0
16732168	Total_Formal_Charge	0
146646427	Hydrogen_Bond_Donor_Count	3
28145921	Rotatable_Bond_Count	9
11228650	Covalent_Unit_Count	1
11957535	Structure_Complexity	318
9831652	Defined_Bond_Stereo_Count	0
11548	Total_Formal_Charge	0
14045178	Covalent_Unit_Count	1
6917852	Molecular_Weight	663.6
5281099	Defined_Atom_Stereo_Count	13
21894763	Defined_Atom_Stereo_Count	0
22603659	Mono_Isotopic_Weight	109.052763847
23688907	Molecular_Weight	190.09
522354	Structure_Complexity	70.8
135424747	Undefined_Bond_Stereo_Count	0
9281	Hydrogen_Bond_Donor_Count	0
76661607	Defined_Bond_Stereo_Count	0
10184774	Hydrogen_Bond_Acceptor_Count	6
837924	XLogP3-AA	4.2
7496	Defined_Atom_Stereo_Count	0
12507028	Defined_Bond_Stereo_Count	0
4397	Defined_Bond_Stereo_Count	0
1293762	Isotope_Atom_Count	0
2468	Total_Formal_Charge	0
520381	Undefined_Atom_Stereo_Count	6
76224067	Total_Formal_Charge	0
24865264	Defined_Atom_Stereo_Count	1
20633892	Mono_Isotopic_Weight	112.088815002
9073	Non-hydrogen_Atom_Count	23
550030	XLogP3-AA	1.8
11963944	Hydrogen_Bond_Acceptor_Count	8
230976	Hydrogen_Bond_Acceptor_Count	5
83678852	Hydrogen_Bond_Acceptor_Count	4
28080	Total_Formal_Charge	0
44412343	Covalent_Unit_Count	1
7851	Hydrogen_Bond_Acceptor_Count	1
5258	Isotope_Atom_Count	0
72200142	Non-hydrogen_Atom_Count	42
122608345	Total_Formal_Charge	0
1149	Covalent_Unit_Count	1
38255	Mono_Isotopic_Weight	387.818595
3001028	Structure_Complexity	624
90148216	Undefined_Bond_Stereo_Count	0
28064878	Rotatable_Bond_Count	1
40467085	Hydrogen_Bond_Donor_Count	1
14420972	Mono_Isotopic_Weight	140.076974926
132472265	Total_Formal_Charge	0
3080548	Defined_Bond_Stereo_Count	0
664419	Mono_Isotopic_Weight	340.1090889
133478	Mono_Isotopic_Weight	284.131348519
5282131	Undefined_Atom_Stereo_Count	0
77720	Covalent_Unit_Count	1
21070	XLogP3	7
9022	XLogP3-AA	2.1
4630917	Undefined_Bond_Stereo_Count	0
439711	Hydrogen_Bond_Donor_Count	1
153709385	Total_Formal_Charge	0
64883	Undefined_Bond_Stereo_Count	0
54493	Undefined_Bond_Stereo_Count	0
11953947	Rotatable_Bond_Count	22
68198	Structure_Complexity	429
10215932	Hydrogen_Bond_Acceptor_Count	7
274427	Structure_Complexity	105
12749319	XLogP3-AA	1.7
21466713	Hydrogen_Bond_Donor_Count	1
87293	Undefined_Atom_Stereo_Count	0
16070030	Undefined_Bond_Stereo_Count	0
235269	Undefined_Atom_Stereo_Count	0
6328534	Non-hydrogen_Atom_Count	60
15208	Hydrogen_Bond_Acceptor_Count	4
7495	TPSA	55
33637	Hydrogen_Bond_Donor_Count	0
54272739	Mono_Isotopic_Weight	86.084398327
9571009	Isotope_Atom_Count	0
6950248	Total_Formal_Charge	0
90485	Rotatable_Bond_Count	5
23464986	Hydrogen_Bond_Donor_Count	1
2734680	Hydrogen_Bond_Donor_Count	0
12231381	Undefined_Bond_Stereo_Count	0
77589	TPSA	57.5
14120	Isotope_Atom_Count	0
16197727	Non-hydrogen_Atom_Count	118
2122	Hydrogen_Bond_Acceptor_Count	8
314184	Molecular_Weight	101.10
1164	Mono_Isotopic_Weight	566.05502130
6602383	Defined_Atom_Stereo_Count	5
137208	Non-hydrogen_Atom_Count	5
163659	Tautomer_Count	700
23714994	Exact_Mass	240.07623855
9727	Rotatable_Bond_Count	3
12388	Covalent_Unit_Count	1
15529	Covalent_Unit_Count	1
59755737	Hydrogen_Bond_Donor_Count	0
68321924	Total_Formal_Charge	0
70695634	TPSA	96.2
29385	Non-hydrogen_Atom_Count	7
23690444	Hydrogen_Bond_Acceptor_Count	3
56673241	XLogP3-AA	2.8
36192	Hydrogen_Bond_Acceptor_Count	2
12627075	Covalent_Unit_Count	1
6997	Isotope_Atom_Count	0
31170	Defined_Bond_Stereo_Count	0
13163	Total_Formal_Charge	0
9793848	Rotatable_Bond_Count	3
12936730	Non-hydrogen_Atom_Count	8
14379924	Rotatable_Bond_Count	1
73234850	Hydrogen_Bond_Acceptor_Count	6
57123750	Structure_Complexity	2330
344793	Molecular_Weight	272.34
49769064	Structure_Complexity	1340
544591	Rotatable_Bond_Count	3
22675	XLogP3-AA	4.1
35740	Structure_Complexity	868
12285893	Molecular_Weight	181.16
9797055	Total_Formal_Charge	0
88153493	Undefined_Bond_Stereo_Count	0
98733	Total_Formal_Charge	0
15165	Undefined_Atom_Stereo_Count	1
695341	Structure_Complexity	218
69132	Non-hydrogen_Atom_Count	11
17705	Defined_Atom_Stereo_Count	0
11471380	Defined_Bond_Stereo_Count	0
8187	Defined_Bond_Stereo_Count	0
118	Undefined_Atom_Stereo_Count	0
51030054	Covalent_Unit_Count	1
2835211	Isotope_Atom_Count	0
6432729	Undefined_Bond_Stereo_Count	0
27135	Structure_Complexity	59.8
51082	Undefined_Bond_Stereo_Count	0
33539	Undefined_Atom_Stereo_Count	4
23663979	Exact_Mass	371.09157152
11542775	Rotatable_Bond_Count	3
4695	Total_Formal_Charge	1
10221	Molecular_Weight	188.18
9948896	Structure_Complexity	518
12663409	Hydrogen_Bond_Acceptor_Count	0
17755248	Undefined_Atom_Stereo_Count	0
10727	TPSA	20.3
54727975	Rotatable_Bond_Count	4
756	Rotatable_Bond_Count	1
2741000	Covalent_Unit_Count	1
81890	Undefined_Atom_Stereo_Count	0
6901	Mono_Isotopic_Weight	257.813116
11305985	Isotope_Atom_Count	0
21067	Undefined_Bond_Stereo_Count	0
153835411	XLogP3-AA	1.4
71397	Total_Formal_Charge	0
4274588	Defined_Bond_Stereo_Count	0
15817841	Hydrogen_Bond_Donor_Count	3
23685849	Hydrogen_Bond_Acceptor_Count	5
516806	TPSA	242
23721821	Hydrogen_Bond_Acceptor_Count	9
8823	Isotope_Atom_Count	0
53	Total_Formal_Charge	0
2736567	Non-hydrogen_Atom_Count	8
119098022	Covalent_Unit_Count	1
4604180	Molecular_Weight	630.5
97354	Isotope_Atom_Count	0
12421370	Structure_Complexity	14
78202	Structure_Complexity	129
8296	Defined_Bond_Stereo_Count	0
11409499	Undefined_Atom_Stereo_Count	0
75358112	Undefined_Bond_Stereo_Count	0
44596	Molecular_Weight	129.24
48289	Isotope_Atom_Count	0
801132	Molecular_Weight	331.4
53413800	XLogP3-AA	0.4
52999	Exact_Mass	381.07430439
306211	Mono_Isotopic_Weight	289.0505709
69341269	Non-hydrogen_Atom_Count	8
151419	Mono_Isotopic_Weight	266.10150494
375	Covalent_Unit_Count	1
75496	Defined_Bond_Stereo_Count	0
5281951	Undefined_Atom_Stereo_Count	0
19254	Molecular_Weight	262.30
14325613	Defined_Atom_Stereo_Count	0
114743	Hydrogen_Bond_Donor_Count	1
44408641	Structure_Complexity	491
6419722	Mono_Isotopic_Weight	121.01974964
2536	Molecular_Weight	398.4
129834519	Exact_Mass	500.93928053
5988	Isotope_Atom_Count	0
7686	Total_Formal_Charge	0
24949247	Molecular_Weight	385.3
647893	Exact_Mass	427.15657746
154808064	Isotope_Atom_Count	0
32681	Defined_Bond_Stereo_Count	0
43013	Structure_Complexity	208
29756	Undefined_Bond_Stereo_Count	0
21248212	Covalent_Unit_Count	1
59277765	Undefined_Atom_Stereo_Count	0
61363	Structure_Complexity	1610
162918376	Undefined_Atom_Stereo_Count	0
10909430	Exact_Mass	1421.74894144
447378	Defined_Bond_Stereo_Count	0
75282	Molecular_Weight	170.16
694146	Rotatable_Bond_Count	1
17748670	Hydrogen_Bond_Donor_Count	24
130122746	TPSA	29.5
133109195	Covalent_Unit_Count	1
135532964	Undefined_Bond_Stereo_Count	0
117859259	Total_Formal_Charge	0
579338	Non-hydrogen_Atom_Count	9
71744109	Rotatable_Bond_Count	0
10331	XLogP3	2.4
13654	Total_Formal_Charge	0
5218	Undefined_Bond_Stereo_Count	0
6436055	TPSA	232
5362457	Mono_Isotopic_Weight	585.38180911
14268486	Structure_Complexity	90.6
11585872	Exact_Mass	261.06122053
53627567	Defined_Atom_Stereo_Count	0
21721513	XLogP3-AA	1.9
138672	Non-hydrogen_Atom_Count	7
56972160	Total_Formal_Charge	0
11500273	Non-hydrogen_Atom_Count	20
11400746	Hydrogen_Bond_Acceptor_Count	3
124226575	Hydrogen_Bond_Donor_Count	7
9238	Exact_Mass	136.125200510
20136721	Structure_Complexity	108
16047027	Structure_Complexity	954
23350	XLogP3-AA	0
517277	Molecular_Weight	151.990
9886249	Mono_Isotopic_Weight	382.13536548
6918077	Non-hydrogen_Atom_Count	22
826477	Isotope_Atom_Count	0
25199798	TPSA	74.6
81450	Undefined_Bond_Stereo_Count	0
87833	TPSA	55.1
134694678	Molecular_Weight	585.7
43139	Isotope_Atom_Count	0
5329016	Total_Formal_Charge	0
73277	Hydrogen_Bond_Donor_Count	0
25380	Defined_Bond_Stereo_Count	0
11349505	Exact_Mass	379.0888035
2733797	Isotope_Atom_Count	0
82111162	TPSA	23.2
20158038	Hydrogen_Bond_Acceptor_Count	1
4825	Undefined_Atom_Stereo_Count	0
618848	Hydrogen_Bond_Acceptor_Count	2
3485	Exact_Mass	100.052429494
11440685	TPSA	103
60196338	Mono_Isotopic_Weight	935.47259372
5283313	Hydrogen_Bond_Donor_Count	1
171829	Exact_Mass	293.847903
3840	Undefined_Atom_Stereo_Count	0
1426	Non-hydrogen_Atom_Count	22
65109	Isotope_Atom_Count	0
5934	Mono_Isotopic_Weight	239.142247555
452110	Rotatable_Bond_Count	40
22623468	Hydrogen_Bond_Donor_Count	0
4630253	Molecular_Weight	408.9
36679	Hydrogen_Bond_Acceptor_Count	1
7698	Hydrogen_Bond_Acceptor_Count	4
44134949	Non-hydrogen_Atom_Count	95
8718	Molecular_Weight	136.15
23876	Total_Formal_Charge	0
86739056	Covalent_Unit_Count	1
12406949	XLogP3-AA	0.4
71555	Defined_Atom_Stereo_Count	0
157820065	Molecular_Weight	284.35
74944	Undefined_Atom_Stereo_Count	0
89767	TPSA	129
4731	Non-hydrogen_Atom_Count	24
528411	Structure_Complexity	46.8
10507011	Defined_Atom_Stereo_Count	0
21869002	Rotatable_Bond_Count	2
6475	Undefined_Bond_Stereo_Count	0
166558989	Structure_Complexity	120
7528	Hydrogen_Bond_Donor_Count	1
5288453	Mono_Isotopic_Weight	488.12131415
24439	Total_Formal_Charge	0
55285	Hydrogen_Bond_Acceptor_Count	4
179338	Defined_Atom_Stereo_Count	0
15706803	Isotope_Atom_Count	0
8816	Undefined_Atom_Stereo_Count	0
7243	Structure_Complexity	62.9
158698	Undefined_Bond_Stereo_Count	0
3333	Exact_Mass	383.0691135
42602097	Molecular_Weight	424.9
6931	Defined_Bond_Stereo_Count	0
5283748	Structure_Complexity	688
79128	XLogP3-AA	2.3
99609	Defined_Bond_Stereo_Count	0
53317120	Total_Formal_Charge	0
5283078	Defined_Atom_Stereo_Count	5
154152828	Mono_Isotopic_Weight	92.062600255
116821924	Molecular_Weight	99.17
10256734	XLogP3-AA	1.8
90876488	Exact_Mass	342.11621151
2581	Hydrogen_Bond_Donor_Count	2
2898877	Isotope_Atom_Count	0
902	Undefined_Bond_Stereo_Count	0
54445182	TPSA	110
17807258	Molecular_Weight	113.08
25008	Structure_Complexity	83.4
53422654	Total_Formal_Charge	0
7449	TPSA	62.9
45255840	TPSA	38.8
67296	Undefined_Atom_Stereo_Count	0
649230	Molecular_Weight	424.4
2762894	Structure_Complexity	72.9
14397832	Rotatable_Bond_Count	2
10248	Molecular_Weight	208.25
8316	Isotope_Atom_Count	0
3831	Undefined_Atom_Stereo_Count	5
91386640	Exact_Mass	101.084063974
19648	Exact_Mass	1456.4334786
54688694	Structure_Complexity	1010
70693538	Defined_Atom_Stereo_Count	6
448653	Tautomer_Count	1
92979	Defined_Atom_Stereo_Count	5
16115747	Molecular_Weight	420.5
61141	Defined_Atom_Stereo_Count	0
3478	Rotatable_Bond_Count	7
59296073	TPSA	111
90055716	XLogP3-AA	1.2
9830667	Isotope_Atom_Count	0
4294	Hydrogen_Bond_Donor_Count	4
67317342	Total_Formal_Charge	0
62300	TPSA	23.6
135942119	Exact_Mass	533.98283616
5282428	Rotatable_Bond_Count	8
223407	Undefined_Atom_Stereo_Count	7
137117239	TPSA	214
135410344	Defined_Bond_Stereo_Count	0
71583604	Rotatable_Bond_Count	5
210410	Mono_Isotopic_Weight	116.094963011
13631121	Structure_Complexity	72.2
60196384	Isotope_Atom_Count	0
141487201	Structure_Complexity	382
21914506	Undefined_Atom_Stereo_Count	2
637930	Defined_Bond_Stereo_Count	1
66016	Rotatable_Bond_Count	5
123979022	Isotope_Atom_Count	0
9466	Rotatable_Bond_Count	7
83322	TPSA	97.6
656665	TPSA	45.3
3610	Rotatable_Bond_Count	5
24180873	Mono_Isotopic_Weight	666.70029
20684416	Covalent_Unit_Count	1
57227	Mono_Isotopic_Weight	250.191937398
12319	Structure_Complexity	28.1
9818024	Non-hydrogen_Atom_Count	22
6436870	Defined_Bond_Stereo_Count	1
4228493	Covalent_Unit_Count	1
161122	Molecular_Weight	137.12
16727404	Rotatable_Bond_Count	4
18934502	Hydrogen_Bond_Acceptor_Count	2
39765	Tautomer_Count	1
4915	Undefined_Atom_Stereo_Count	0
521348	Structure_Complexity	47.8
440192	Undefined_Atom_Stereo_Count	1
19883347	Tautomer_Count	1
229	TPSA	90.2
89399997	Defined_Bond_Stereo_Count	0
12203051	Exact_Mass	195.94975
24352	Undefined_Bond_Stereo_Count	0
136183544	Defined_Atom_Stereo_Count	0
23635314	Defined_Atom_Stereo_Count	0
5353830	Defined_Bond_Stereo_Count	1
11379	Molecular_Weight	144.17
5324584	Defined_Atom_Stereo_Count	0
1550694	Molecular_Weight	360.5
184841	XLogP3-AA	2.9
54385745	Covalent_Unit_Count	1
883476	Hydrogen_Bond_Donor_Count	1
21339024	Isotope_Atom_Count	0
40512	Undefined_Bond_Stereo_Count	0
11048	Covalent_Unit_Count	3
24987	Tautomer_Count	1
54231313	Total_Formal_Charge	0
8816	Defined_Atom_Stereo_Count	0
6327	Hydrogen_Bond_Acceptor_Count	0
159747	Non-hydrogen_Atom_Count	11
136070	Undefined_Bond_Stereo_Count	0
39539	TPSA	15.8
5475158	Defined_Atom_Stereo_Count	0
10046647	Rotatable_Bond_Count	5
3833333	Undefined_Atom_Stereo_Count	1
76262	Covalent_Unit_Count	1
15965	Covalent_Unit_Count	1
99474	Defined_Bond_Stereo_Count	0
5702220	Exact_Mass	411.97395
18622370	Undefined_Atom_Stereo_Count	0
91696	Defined_Bond_Stereo_Count	0
141260926	Rotatable_Bond_Count	0
13081	Structure_Complexity	263
518469	Defined_Bond_Stereo_Count	0
10610	Exact_Mass	358.13511374
56842208	Hydrogen_Bond_Acceptor_Count	4
10074640	Tautomer_Count	48
53403603	Defined_Bond_Stereo_Count	0
27976	Rotatable_Bond_Count	2
19427867	Rotatable_Bond_Count	0
72146	Exact_Mass	253.07726451
42552711	Mono_Isotopic_Weight	342.11621151
137658	Defined_Atom_Stereo_Count	0
90471068	Mono_Isotopic_Weight	376.20250208
11196935	Hydrogen_Bond_Acceptor_Count	2
65728	Defined_Atom_Stereo_Count	8
67444	Isotope_Atom_Count	0
58806257	Hydrogen_Bond_Acceptor_Count	1
11582651	XLogP3-AA	3.7
235700	XLogP3-AA	1.6
7287	Defined_Bond_Stereo_Count	0
129746471	Undefined_Atom_Stereo_Count	1
62238	Exact_Mass	512.55323154
87280891	Hydrogen_Bond_Donor_Count	5
10047141	Hydrogen_Bond_Donor_Count	1
22918656	Undefined_Atom_Stereo_Count	0
447480	Rotatable_Bond_Count	4
10329124	Hydrogen_Bond_Acceptor_Count	23
71300410	Undefined_Atom_Stereo_Count	0
91053206	Structure_Complexity	2330
41043	Total_Formal_Charge	0
3608	Defined_Bond_Stereo_Count	0
72758138	Molecular_Weight	437.5
57402652	Undefined_Atom_Stereo_Count	0
3766139	Rotatable_Bond_Count	8
43708	Non-hydrogen_Atom_Count	34
154552978	Undefined_Atom_Stereo_Count	0
6540	Undefined_Bond_Stereo_Count	0
989	Undefined_Bond_Stereo_Count	0
71306415	Isotope_Atom_Count	0
10997120	Isotope_Atom_Count	0
69347980	Undefined_Atom_Stereo_Count	0
43013	Hydrogen_Bond_Donor_Count	1
82839	Rotatable_Bond_Count	0
7149	Covalent_Unit_Count	1
547935	Mono_Isotopic_Weight	117.078978594
6917655	XLogP3-AA	4
53856650	Exact_Mass	110.109550447
10048368	Hydrogen_Bond_Donor_Count	0
742	Undefined_Atom_Stereo_Count	1
26956	Structure_Complexity	275
29373	Isotope_Atom_Count	0
5288595	Hydrogen_Bond_Acceptor_Count	9
87086790	Covalent_Unit_Count	1
165345	Defined_Atom_Stereo_Count	0
130026605	Undefined_Bond_Stereo_Count	0
51358375	Undefined_Bond_Stereo_Count	0
69589310	Undefined_Bond_Stereo_Count	0
123934238	Hydrogen_Bond_Donor_Count	1
3760923	Undefined_Atom_Stereo_Count	0
23662871	Exact_Mass	492.01742078
6035	Undefined_Bond_Stereo_Count	0
4363	Undefined_Bond_Stereo_Count	0
118209817	Undefined_Atom_Stereo_Count	0
344693	TPSA	37.3
92886	Defined_Bond_Stereo_Count	0
969108	Hydrogen_Bond_Acceptor_Count	3
16052039	Exact_Mass	662.4095366
9549303	XLogP3-AA	4.5
122327	Hydrogen_Bond_Acceptor_Count	4
55297293	Rotatable_Bond_Count	0
24367	Structure_Complexity	322
5282398	Non-hydrogen_Atom_Count	43
139079010	Mono_Isotopic_Weight	510.21144931
6693	Undefined_Bond_Stereo_Count	0
712377	Exact_Mass	151.00918496
41774	Mono_Isotopic_Weight	645.24801352
56440	Covalent_Unit_Count	1
8863	Total_Formal_Charge	0
12562	Non-hydrogen_Atom_Count	16
55362	Defined_Bond_Stereo_Count	0
165664742	Structure_Complexity	124
4452	Hydrogen_Bond_Donor_Count	2
5288494	Defined_Atom_Stereo_Count	0
27428	Rotatable_Bond_Count	1
9265	TPSA	0
543880	Undefined_Bond_Stereo_Count	0
451417	Molecular_Weight	679.8
56842327	Isotope_Atom_Count	0
91708	Total_Formal_Charge	0
56615438	Undefined_Atom_Stereo_Count	0
37248	Mono_Isotopic_Weight	289.922361
12967	TPSA	75.8
235713	Exact_Mass	182.03275668
19032309	Undefined_Atom_Stereo_Count	1
129019256	Isotope_Atom_Count	0
170018	Undefined_Bond_Stereo_Count	0
16138787	Mono_Isotopic_Weight	1131.32532709
41308	Rotatable_Bond_Count	2
3541	Structure_Complexity	570
91682	Hydrogen_Bond_Donor_Count	0
36302	Defined_Atom_Stereo_Count	0
72145	Structure_Complexity	772
87877	Hydrogen_Bond_Acceptor_Count	1
7048707	Hydrogen_Bond_Acceptor_Count	2
51082	Undefined_Atom_Stereo_Count	0
7007	Structure_Complexity	219
5373603	XLogP3-AA	2.6
3851247	Hydrogen_Bond_Acceptor_Count	12
84912	Hydrogen_Bond_Acceptor_Count	3
64594	Structure_Complexity	562
3573	Undefined_Atom_Stereo_Count	12
61892972	Exact_Mass	99.104799419
6433198	Exact_Mass	829.2283373
58752	Defined_Bond_Stereo_Count	0
31283	Isotope_Atom_Count	0
91580832	Hydrogen_Bond_Donor_Count	2
18377	Rotatable_Bond_Count	5
20033044	Defined_Bond_Stereo_Count	0
14388239	Total_Formal_Charge	0
627254	Rotatable_Bond_Count	8
13493719	Structure_Complexity	45.3
65482	Undefined_Bond_Stereo_Count	0
71460731	Undefined_Bond_Stereo_Count	0
53432	Molecular_Weight	250.34
6433090	Molecular_Weight	319.4
135413528	Tautomer_Count	3
11156438	Total_Formal_Charge	0
266742	Molecular_Weight	152.19
25142176	Undefined_Bond_Stereo_Count	0
92146	Defined_Bond_Stereo_Count	0
72187	Tautomer_Count	3
20097868	TPSA	23.8
12850184	Molecular_Weight	426.34
21723	Exact_Mass	502.077368
11584	Hydrogen_Bond_Donor_Count	0
21121497	XLogP3-AA	1.6
26799	Non-hydrogen_Atom_Count	21
134399	Mono_Isotopic_Weight	129.115364102
643209	Undefined_Atom_Stereo_Count	0
19604021	Molecular_Weight	98.15
129752646	Rotatable_Bond_Count	12
24972597	XLogP3-AA	0.2
208901	Defined_Bond_Stereo_Count	0
14813	Mono_Isotopic_Weight	321.78220
84647615	Defined_Bond_Stereo_Count	0
23724827	Hydrogen_Bond_Donor_Count	3
439791	Molecular_Weight	102.18
59050126	Covalent_Unit_Count	1
9802542	Total_Formal_Charge	0
136097	Exact_Mass	111.104799419
3690	XLogP3	0.9
16049867	XLogP3-AA	4.4
74320	Exact_Mass	412.84097
65800	Tautomer_Count	1
5479527	Hydrogen_Bond_Donor_Count	3
7431	Isotope_Atom_Count	0
147059143	Non-hydrogen_Atom_Count	7
195432	Tautomer_Count	1
131747	Undefined_Atom_Stereo_Count	0
98148766	Covalent_Unit_Count	1
40341	Molecular_Weight	305.07
1032	Undefined_Bond_Stereo_Count	0
461003	Hydrogen_Bond_Acceptor_Count	4
83694167	Defined_Atom_Stereo_Count	0
10621	Structure_Complexity	940
12502948	Exact_Mass	114.104465066
10021783	Defined_Bond_Stereo_Count	0
11446306	Covalent_Unit_Count	1
60815	Structure_Complexity	523
22321577	Covalent_Unit_Count	1
9568637	Rotatable_Bond_Count	6
123223196	Covalent_Unit_Count	1
76548	Exact_Mass	164.131348519
420	Defined_Bond_Stereo_Count	0
54129211	Mono_Isotopic_Weight	94.041864811
53894233	TPSA	17.1
140734	Defined_Bond_Stereo_Count	0
131697803	Defined_Atom_Stereo_Count	6
458426	Non-hydrogen_Atom_Count	14
12278591	Defined_Atom_Stereo_Count	0
23552407	Total_Formal_Charge	0
71272	Exact_Mass	392.02910
27893	Non-hydrogen_Atom_Count	8
160796	Exact_Mass	295.0894550
10909502	Total_Formal_Charge	0
154101	Isotope_Atom_Count	0
6062	Undefined_Bond_Stereo_Count	0
81150	Structure_Complexity	415
59473233	Structure_Complexity	595
20312802	Exact_Mass	106.078250319
6328163	Mono_Isotopic_Weight	500.0545926
5458730	Structure_Complexity	1210
547678	Rotatable_Bond_Count	2
9835303	Hydrogen_Bond_Acceptor_Count	2
91347456	Rotatable_Bond_Count	1
12309521	Rotatable_Bond_Count	4
62210	Total_Formal_Charge	0
135411	TPSA	57.5
3032910	Structure_Complexity	469
3344	Molecular_Weight	260.33
54677977	Hydrogen_Bond_Acceptor_Count	6
11909	Hydrogen_Bond_Donor_Count	0
25074887	Tautomer_Count	996
1340	Molecular_Weight	161.16
71305061	Hydrogen_Bond_Acceptor_Count	10
91825716	Defined_Atom_Stereo_Count	1
135421876	Non-hydrogen_Atom_Count	10
69589310	Defined_Atom_Stereo_Count	0
86856	Tautomer_Count	1
4423	Structure_Complexity	549
694638	Non-hydrogen_Atom_Count	23
143716909	Molecular_Weight	112.17
1016	Defined_Atom_Stereo_Count	0
1069	Hydrogen_Bond_Acceptor_Count	2
12729368	Defined_Bond_Stereo_Count	0
13649426	Molecular_Weight	248.75
93833	Exact_Mass	515.72168
7777	Isotope_Atom_Count	0
69333614	Total_Formal_Charge	0
220164	Covalent_Unit_Count	1
4451502	Covalent_Unit_Count	1
20483617	Molecular_Weight	110.16
637566	Non-hydrogen_Atom_Count	11
44521018	Total_Formal_Charge	0
29909	Defined_Bond_Stereo_Count	0
21492261	Undefined_Bond_Stereo_Count	0
9978	TPSA	37.3
89371029	Defined_Bond_Stereo_Count	0
20491	Hydrogen_Bond_Acceptor_Count	3
6930	Undefined_Atom_Stereo_Count	0
71210	Mono_Isotopic_Weight	227.094628657
4468	Exact_Mass	1268.0156085
24752885	Molecular_Weight	270.36
4888	Mono_Isotopic_Weight	255.08954328
3415	Undefined_Bond_Stereo_Count	0
199543	Isotope_Atom_Count	0
273579	Total_Formal_Charge	0
442431	Exact_Mass	580.17920569
573467	Covalent_Unit_Count	1
6554	Undefined_Atom_Stereo_Count	1
66908	Molecular_Weight	171.28
162127	Defined_Bond_Stereo_Count	0
58375	Rotatable_Bond_Count	5
44400351	Structure_Complexity	410
102503760	Exact_Mass	665.30474055
13000	Tautomer_Count	1
5047209	Undefined_Bond_Stereo_Count	0
11388294	TPSA	26.3
139024271	Defined_Bond_Stereo_Count	0
99748	Structure_Complexity	106
58501	Defined_Atom_Stereo_Count	0
10899282	TPSA	110
450772	Hydrogen_Bond_Acceptor_Count	5
44560808	Covalent_Unit_Count	1
254132	Hydrogen_Bond_Donor_Count	1
2999	XLogP3-AA	2.9
53708930	Mono_Isotopic_Weight	101.047678466
15516956	Covalent_Unit_Count	1
6405709	Total_Formal_Charge	0
343119	Hydrogen_Bond_Acceptor_Count	1
131704232	Total_Formal_Charge	0
105125	Defined_Atom_Stereo_Count	0
752646	Undefined_Atom_Stereo_Count	0
25246274	Covalent_Unit_Count	1
148118273	TPSA	0
129803162	Undefined_Bond_Stereo_Count	0
90996709	Hydrogen_Bond_Acceptor_Count	1
21675633	Mono_Isotopic_Weight	114.104465066
22860	Tautomer_Count	1
5283748	Defined_Atom_Stereo_Count	6
85912645	Molecular_Weight	98.10
10176672	Total_Formal_Charge	0
255191	Hydrogen_Bond_Donor_Count	0
4059	XLogP3	1.4
25042	Covalent_Unit_Count	1
125889	Hydrogen_Bond_Donor_Count	2
7173	Undefined_Atom_Stereo_Count	0
3029012	Mono_Isotopic_Weight	181.07389321
83904778	TPSA	26.3
678293	Molecular_Weight	312.3
23545756	Total_Formal_Charge	0
5558	Molecular_Weight	252.73
87820	Non-hydrogen_Atom_Count	13
642325	Covalent_Unit_Count	1
57864687	Total_Formal_Charge	0
16657	Exact_Mass	98.109550447
22321577	Undefined_Atom_Stereo_Count	1
6100711	Mono_Isotopic_Weight	287.886175
15047014	Undefined_Atom_Stereo_Count	2
13817	Molecular_Weight	680.8
85847719	TPSA	42.5
20312691	Hydrogen_Bond_Acceptor_Count	3
23423	Defined_Atom_Stereo_Count	9
11286453	Structure_Complexity	104
14260	Rotatable_Bond_Count	11
86751	Molecular_Weight	158.28
7475	Isotope_Atom_Count	0
24750	Isotope_Atom_Count	0
8140	XLogP3	4.9
25202562	Exact_Mass	357.958759
58980176	Mono_Isotopic_Weight	110.109550447
3001860	Defined_Bond_Stereo_Count	0
24770445	Undefined_Bond_Stereo_Count	0
56842231	Molecular_Weight	1141.3
123133923	Undefined_Atom_Stereo_Count	0
6779	Defined_Atom_Stereo_Count	0
11010340	TPSA	63.6
59296039	Covalent_Unit_Count	1
87190	Covalent_Unit_Count	1
53643899	Structure_Complexity	146
10173280	Defined_Atom_Stereo_Count	0
68890784	Isotope_Atom_Count	0
14919832	Structure_Complexity	85.6
7062	Exact_Mass	165.115364102
4767	Covalent_Unit_Count	1
118177912	XLogP3-AA	1.4
71346	Undefined_Bond_Stereo_Count	0
11358924	Hydrogen_Bond_Acceptor_Count	5
61341	Total_Formal_Charge	0
5300	Hydrogen_Bond_Acceptor_Count	8
135398579	Defined_Bond_Stereo_Count	0
3413668	XLogP3-AA	5
6437385	Mono_Isotopic_Weight	858.47655690
160565	Covalent_Unit_Count	1
156599213	Defined_Atom_Stereo_Count	6
13462625	Undefined_Atom_Stereo_Count	1
14388559	Defined_Bond_Stereo_Count	0
181978	Exact_Mass	378.13734088
91788	Isotope_Atom_Count	0
830140	Rotatable_Bond_Count	3
589409	Hydrogen_Bond_Acceptor_Count	7
4573	Tautomer_Count	1
87220078	Structure_Complexity	121
7090	Hydrogen_Bond_Acceptor_Count	2
63142	Hydrogen_Bond_Acceptor_Count	3
12724622	TPSA	20.2
439782	Structure_Complexity	216
3034394	Exact_Mass	290.260965704
10478	Undefined_Bond_Stereo_Count	0
3661	Covalent_Unit_Count	1
19044091	Isotope_Atom_Count	0
70447162	Structure_Complexity	90.4
9958995	XLogP3-AA	6.5
67683363	Hydrogen_Bond_Acceptor_Count	10
11977753	Molecular_Weight	469.5
12634655	Exact_Mass	94.078250319
91583	Rotatable_Bond_Count	5
46795	Exact_Mass	301.06774
12634653	Hydrogen_Bond_Acceptor_Count	0
55286501	Structure_Complexity	119
545317	Molecular_Weight	226.27
16324	Total_Formal_Charge	0
119097769	Structure_Complexity	125
87310	Undefined_Atom_Stereo_Count	1
137747	Covalent_Unit_Count	1
15032799	TPSA	9.2
13990016	Defined_Bond_Stereo_Count	0
62719	TPSA	31
67106798	Defined_Bond_Stereo_Count	0
59850618	Defined_Bond_Stereo_Count	0
23082568	Defined_Atom_Stereo_Count	0
8275	Rotatable_Bond_Count	4
10146470	Tautomer_Count	2
6358	Undefined_Bond_Stereo_Count	0
87468707	Covalent_Unit_Count	1
66095	Exact_Mass	180.115029749
94865124	Structure_Complexity	756
260708	Defined_Bond_Stereo_Count	0
16690	TPSA	0
33094	Molecular_Weight	150.17
198498	Defined_Bond_Stereo_Count	0
90737888	Isotope_Atom_Count	0
143588	Rotatable_Bond_Count	1
10753	Undefined_Bond_Stereo_Count	0
146684433	Total_Formal_Charge	0
656777	Undefined_Atom_Stereo_Count	0
61633	TPSA	34.1
22628430	Rotatable_Bond_Count	1
471895	Total_Formal_Charge	0
17360	Exact_Mass	451.13721
14201285	TPSA	35.5
142959	Non-hydrogen_Atom_Count	8
24978514	TPSA	164
42642648	Hydrogen_Bond_Acceptor_Count	8
10723	Mono_Isotopic_Weight	148.088815002
15239624	Undefined_Atom_Stereo_Count	0
51644315	Hydrogen_Bond_Donor_Count	1
9811221	Structure_Complexity	1690
659218	XLogP3-AA	1.6
2285	Undefined_Bond_Stereo_Count	0
23863720	Isotope_Atom_Count	0
9969613	TPSA	80.5
2132	Structure_Complexity	259
16129759	Covalent_Unit_Count	1
13291788	Undefined_Atom_Stereo_Count	0
40430269	Exact_Mass	345.18143228
319771	Non-hydrogen_Atom_Count	7
6539985	Covalent_Unit_Count	1
136880	Covalent_Unit_Count	1
53850714	Total_Formal_Charge	0
86784	Structure_Complexity	85
609	Non-hydrogen_Atom_Count	16
15098	Hydrogen_Bond_Acceptor_Count	0
590907	Non-hydrogen_Atom_Count	12
449424	Mono_Isotopic_Weight	361.16108550
60195811	Undefined_Bond_Stereo_Count	0
945	Isotope_Atom_Count	0
8763	Rotatable_Bond_Count	11
71541289	Defined_Bond_Stereo_Count	0
91688	Tautomer_Count	1
12259685	Non-hydrogen_Atom_Count	21
10001337	Rotatable_Bond_Count	3
102201652	Isotope_Atom_Count	0
99915	Hydrogen_Bond_Acceptor_Count	2
14357	Structure_Complexity	269
704481	Non-hydrogen_Atom_Count	24
24848341	Mono_Isotopic_Weight	285.14254485
31013	Exact_Mass	225.13649347
10308710	Non-hydrogen_Atom_Count	20
107744	Molecular_Weight	277.08
59966627	Undefined_Bond_Stereo_Count	0
22636846	Structure_Complexity	124
58501	Undefined_Atom_Stereo_Count	0
24883429	Undefined_Atom_Stereo_Count	0
105053	Undefined_Atom_Stereo_Count	0
8156	Hydrogen_Bond_Donor_Count	0
6785	Hydrogen_Bond_Acceptor_Count	6
75195	XLogP3-AA	6.4
22481615	Isotope_Atom_Count	0
62923	Undefined_Bond_Stereo_Count	0
2073	Total_Formal_Charge	0
10994	Total_Formal_Charge	0
19159	Defined_Atom_Stereo_Count	0
5280906	Covalent_Unit_Count	1
5282948	Hydrogen_Bond_Donor_Count	2
141631	Hydrogen_Bond_Donor_Count	0
119097769	TPSA	26.3
22124932	Rotatable_Bond_Count	0
17884	Isotope_Atom_Count	0
9800	Defined_Bond_Stereo_Count	0
85614476	Defined_Atom_Stereo_Count	0
5311052	Non-hydrogen_Atom_Count	28
24825266	Undefined_Atom_Stereo_Count	0
11644097	Defined_Bond_Stereo_Count	0
688561	Molecular_Weight	290.36
16048558	Undefined_Bond_Stereo_Count	0
5256228	Covalent_Unit_Count	1
44394119	Defined_Atom_Stereo_Count	2
12244	Covalent_Unit_Count	1
98181815	Hydrogen_Bond_Donor_Count	1
3940691	Exact_Mass	224.06847348
6096207	Isotope_Atom_Count	0
259821	Undefined_Bond_Stereo_Count	0
437	Molecular_Weight	179.17
6327132	Total_Formal_Charge	0
163872484	TPSA	279
49867926	Undefined_Atom_Stereo_Count	0
118305111	Defined_Bond_Stereo_Count	0
557502	Hydrogen_Bond_Donor_Count	1
67175581	Total_Formal_Charge	0
8612	XLogP3	2.9
16668	Exact_Mass	158.073164938
130250598	Non-hydrogen_Atom_Count	8
564206	Isotope_Atom_Count	0
565623	Undefined_Bond_Stereo_Count	0
46173802	Undefined_Atom_Stereo_Count	0
16653	Non-hydrogen_Atom_Count	12
52942030	Exact_Mass	437.19148337
68745	TPSA	74.6
22857281	Exact_Mass	157.104085577
50993725	Exact_Mass	377.1279474
6825	Isotope_Atom_Count	0
5352449	Defined_Bond_Stereo_Count	2
3497	Hydrogen_Bond_Acceptor_Count	4
10118131	Defined_Atom_Stereo_Count	0
27868	TPSA	26.3
344865	Rotatable_Bond_Count	6
121904	Defined_Bond_Stereo_Count	0
5311507	Rotatable_Bond_Count	5
5359541	Hydrogen_Bond_Acceptor_Count	0
11234049	Undefined_Atom_Stereo_Count	0
164886662	TPSA	304
7327	Isotope_Atom_Count	0
20231751	Mono_Isotopic_Weight	160.9560951
6693	Defined_Atom_Stereo_Count	0
5282219	Hydrogen_Bond_Acceptor_Count	6
6971016	Covalent_Unit_Count	1
287350	Defined_Bond_Stereo_Count	0
15287	Covalent_Unit_Count	1
452254	Hydrogen_Bond_Acceptor_Count	6
14026391	Hydrogen_Bond_Donor_Count	0
2723698	Defined_Bond_Stereo_Count	0
4175	Mono_Isotopic_Weight	388.26135963
9953590	Mono_Isotopic_Weight	414.20423867
5352428	Undefined_Bond_Stereo_Count	0
80715	Covalent_Unit_Count	1
91992733	Isotope_Atom_Count	0
123173	Mono_Isotopic_Weight	40.0313001276
430996	XLogP3-AA	4.2
59864	Rotatable_Bond_Count	4
73425158	Hydrogen_Bond_Acceptor_Count	1
441071	Tautomer_Count	2
16217634	Molecular_Weight	204.35
35330	Total_Formal_Charge	0
147097491	TPSA	9.2
11261	TPSA	20.2
274412	Covalent_Unit_Count	1
2341	Exact_Mass	239.167399674
135398646	Isotope_Atom_Count	0
5280604	Non-hydrogen_Atom_Count	64
3459	Molecular_Weight	400.6
3036235	TPSA	141
11446361	Covalent_Unit_Count	1
5108383	Structure_Complexity	442
138107735	Molecular_Weight	527.5
24866519	Hydrogen_Bond_Donor_Count	3
86184	Hydrogen_Bond_Donor_Count	1
23690449	Hydrogen_Bond_Acceptor_Count	6
68652936	Hydrogen_Bond_Acceptor_Count	2
5282315	Defined_Bond_Stereo_Count	2
23282906	Undefined_Atom_Stereo_Count	2
156588151	Total_Formal_Charge	0
565574	Isotope_Atom_Count	0
10877051	Covalent_Unit_Count	1
269	Isotope_Atom_Count	0
11120	Undefined_Bond_Stereo_Count	0
1443	Non-hydrogen_Atom_Count	23
69362	Molecular_Weight	118.13
13610	Hydrogen_Bond_Acceptor_Count	2
71072113	Defined_Atom_Stereo_Count	1
63179	Molecular_Weight	513.6
670359	Structure_Complexity	434
14869	Covalent_Unit_Count	1
107327	Exact_Mass	226.229665576
57750364	Non-hydrogen_Atom_Count	32
4557	Rotatable_Bond_Count	9
927764	TPSA	73.5
18598488	Structure_Complexity	119
123766000	Isotope_Atom_Count	0
11423566	Defined_Atom_Stereo_Count	0
3827	Mono_Isotopic_Weight	309.11873540
64054	Isotope_Atom_Count	0
688492	Hydrogen_Bond_Donor_Count	1
3081743	Hydrogen_Bond_Acceptor_Count	5
70682976	Mono_Isotopic_Weight	336.14739250
11461044	Hydrogen_Bond_Acceptor_Count	5
68938028	Rotatable_Bond_Count	8
109198	Molecular_Weight	485.7
8408	Covalent_Unit_Count	1
50701	Undefined_Bond_Stereo_Count	0
85515	Hydrogen_Bond_Acceptor_Count	3
540	Covalent_Unit_Count	1
21679645	Non-hydrogen_Atom_Count	8
144550270	Rotatable_Bond_Count	0
38972	Total_Formal_Charge	0
11724027	Structure_Complexity	414
162883450	Mono_Isotopic_Weight	527.23263824
755686	Defined_Bond_Stereo_Count	0
2909	Undefined_Bond_Stereo_Count	1
9874591	TPSA	195
519103	Non-hydrogen_Atom_Count	18
657378	Covalent_Unit_Count	1
67258704	XLogP3-AA	0.7
8818	Molecular_Weight	142.20
448601	Molecular_Weight	1019.2
12003287	TPSA	110
55290887	Structure_Complexity	94
14585548	Rotatable_Bond_Count	0
85689	Undefined_Atom_Stereo_Count	2
10527347	Molecular_Weight	446.4
25271818	Structure_Complexity	482
138677	Hydrogen_Bond_Donor_Count	1
122	Isotope_Atom_Count	0
31799	Undefined_Atom_Stereo_Count	1
23681382	Rotatable_Bond_Count	1
192912	Exact_Mass	286.83642
61922	Non-hydrogen_Atom_Count	7
121595926	XLogP3-AA	4.3
4713	Tautomer_Count	5
60196307	Defined_Bond_Stereo_Count	0
8289	Rotatable_Bond_Count	6
135738852	Mono_Isotopic_Weight	842.51400504
4552223	Total_Formal_Charge	0
129693502	Defined_Bond_Stereo_Count	0
7499	Defined_Atom_Stereo_Count	0
9865375	Exact_Mass	393.23039385
57346808	Hydrogen_Bond_Donor_Count	11
10872638	Undefined_Atom_Stereo_Count	0
12360	Covalent_Unit_Count	1
70362185	Exact_Mass	97.052763847
56270	Non-hydrogen_Atom_Count	18
5315659	Hydrogen_Bond_Acceptor_Count	2
129846595	Molecular_Weight	1170.0
123690360	Defined_Atom_Stereo_Count	0
73253	Defined_Bond_Stereo_Count	0
9934492	TPSA	213
22058802	Molecular_Weight	106.16
48368	Isotope_Atom_Count	0
15166	Total_Formal_Charge	0
70269	Tautomer_Count	9
53324426	Total_Formal_Charge	0
21867154	Defined_Atom_Stereo_Count	0
22112092	Non-hydrogen_Atom_Count	7
80308	TPSA	46.2
490561	Structure_Complexity	977
129709636	Covalent_Unit_Count	1
95434	Defined_Atom_Stereo_Count	0
53885557	Defined_Atom_Stereo_Count	0
13023558	XLogP3-AA	0.6
107977	Covalent_Unit_Count	1
10057477	Rotatable_Bond_Count	0
78368	Undefined_Atom_Stereo_Count	0
219	Molecular_Weight	117.10
7791	Hydrogen_Bond_Donor_Count	1
5460037	Non-hydrogen_Atom_Count	34
54169757	Hydrogen_Bond_Donor_Count	3
24083	Defined_Bond_Stereo_Count	0
5743836	Exact_Mass	249.13649347
638105	XLogP3-AA	0.1
76997	TPSA	18.5
25171662	Undefined_Atom_Stereo_Count	0
10428273	Covalent_Unit_Count	1
54581630	Mono_Isotopic_Weight	254.05790880
701621	XLogP3-AA	3.1
31134	Defined_Bond_Stereo_Count	0
12049	Non-hydrogen_Atom_Count	7
57401681	XLogP3-AA	5
58528	Mono_Isotopic_Weight	256.121177757
68737	Isotope_Atom_Count	0
5288674	Undefined_Bond_Stereo_Count	0
137224318	Hydrogen_Bond_Acceptor_Count	6
138756229	Hydrogen_Bond_Donor_Count	2
72200931	Molecular_Weight	459.7
448580	Total_Formal_Charge	0
25142312	Structure_Complexity	760
15533	Exact_Mass	402.96055
59422203	TPSA	95.6
22875828	Rotatable_Bond_Count	2
24714	Rotatable_Bond_Count	9
23662389	Undefined_Atom_Stereo_Count	0
71449857	Non-hydrogen_Atom_Count	32
55973	XLogP3	3.4
417575	Exact_Mass	100.052429494
20087060	Molecular_Weight	115.13
44560808	TPSA	148
54936	Total_Formal_Charge	0
18213	Rotatable_Bond_Count	2
16213460	Defined_Bond_Stereo_Count	0
431097	Undefined_Atom_Stereo_Count	2
13397	Defined_Bond_Stereo_Count	0
21285	Covalent_Unit_Count	2
9852519	Covalent_Unit_Count	1
71311382	Exact_Mass	246.198365449
42768	Exact_Mass	520.22725974
76693	XLogP3-AA	4.5
129848458	Structure_Complexity	525
65370	Rotatable_Bond_Count	13
19606817	Defined_Bond_Stereo_Count	0
24838	Undefined_Atom_Stereo_Count	1
87565291	Undefined_Bond_Stereo_Count	0
163321054	TPSA	441
609	Total_Formal_Charge	0
129600765	Covalent_Unit_Count	1
94180	Hydrogen_Bond_Acceptor_Count	3
1094	Tautomer_Count	1
12329	Defined_Atom_Stereo_Count	0
136459	Undefined_Bond_Stereo_Count	0
101316975	Defined_Bond_Stereo_Count	0
93357	Isotope_Atom_Count	0
9844	Defined_Atom_Stereo_Count	0
9818903	Undefined_Bond_Stereo_Count	0
6161490	Isotope_Atom_Count	0
403016	Molecular_Weight	455.5
20317822	Covalent_Unit_Count	1
10226546	Hydrogen_Bond_Acceptor_Count	7
67832	Structure_Complexity	131
2682	XLogP3	7.3
20752353	TPSA	12.5
517072	Rotatable_Bond_Count	0
441277	Molecular_Weight	321.9
13620760	Structure_Complexity	108
12386878	Non-hydrogen_Atom_Count	6
136085	XLogP3-AA	0.3
60044711	Isotope_Atom_Count	0
20039	Mono_Isotopic_Weight	235.10692467
25056	Structure_Complexity	235
13019047	Total_Formal_Charge	0
13871	Undefined_Bond_Stereo_Count	0
2423	Undefined_Atom_Stereo_Count	2
119083105	Molecular_Weight	107.11
69262871	Undefined_Atom_Stereo_Count	0
19086	Non-hydrogen_Atom_Count	21
70689065	Hydrogen_Bond_Donor_Count	0
4171	Non-hydrogen_Atom_Count	19
223368	XLogP3-AA	2.9
10493936	Non-hydrogen_Atom_Count	22
15122	TPSA	0
26877	Undefined_Atom_Stereo_Count	2
1203	Hydrogen_Bond_Donor_Count	5
91281	Exact_Mass	155.094628657
81669	Non-hydrogen_Atom_Count	8
2786	Non-hydrogen_Atom_Count	27
71454296	Defined_Atom_Stereo_Count	1
139079814	Structure_Complexity	253
119	Undefined_Atom_Stereo_Count	0
49217	Isotope_Atom_Count	0
11908385	Exact_Mass	342.11621151
9578507	Defined_Bond_Stereo_Count	4
3032282	TPSA	108
11926	Mono_Isotopic_Weight	143.073499291
76285	Isotope_Atom_Count	0
96807	Structure_Complexity	417
168707	Hydrogen_Bond_Acceptor_Count	4
12740771	Defined_Bond_Stereo_Count	0
124823	Defined_Bond_Stereo_Count	0
136394	Covalent_Unit_Count	1
53736	Exact_Mass	244.157563266
67125854	Molecular_Weight	115.13
69341863	Structure_Complexity	76.8
103451287	Undefined_Bond_Stereo_Count	0
9929901	Molecular_Weight	382.6
8927	Non-hydrogen_Atom_Count	19
13379958	Covalent_Unit_Count	1
9176	Defined_Bond_Stereo_Count	0
4223	Covalent_Unit_Count	1
70801	TPSA	43.8
67060	Total_Formal_Charge	0
57391320	Covalent_Unit_Count	1
72943	XLogP3-AA	6.1
2285	Undefined_Atom_Stereo_Count	0
117846599	Hydrogen_Bond_Acceptor_Count	11
4633	Hydrogen_Bond_Acceptor_Count	5
5284614	Hydrogen_Bond_Donor_Count	0
2484	Exact_Mass	317.214349865
638057	Rotatable_Bond_Count	0
131843960	Defined_Atom_Stereo_Count	0
11815296	Undefined_Atom_Stereo_Count	0
135491728	Molecular_Weight	359.9
25102847	Undefined_Bond_Stereo_Count	0
112039	Hydrogen_Bond_Donor_Count	0
18100	Rotatable_Bond_Count	1
6102820	Rotatable_Bond_Count	3
4786	Structure_Complexity	110
7004913	Total_Formal_Charge	0
137031	Total_Formal_Charge	0
4409	TPSA	26.3
271553	Hydrogen_Bond_Acceptor_Count	0
125027416	Undefined_Atom_Stereo_Count	0
51392	Hydrogen_Bond_Acceptor_Count	2
21874242	Hydrogen_Bond_Donor_Count	2
24763199	Mono_Isotopic_Weight	379.0854322
23688987	Exact_Mass	251.99160210
4174	Undefined_Atom_Stereo_Count	0
87139265	Rotatable_Bond_Count	2
12398272	Non-hydrogen_Atom_Count	8
57187562	Defined_Bond_Stereo_Count	0
2398	Exact_Mass	384.15862589
1268142	TPSA	17.1
11513929	Defined_Bond_Stereo_Count	0
79241	Rotatable_Bond_Count	5
129858712	Isotope_Atom_Count	0
6694	Molecular_Weight	479.0
187079	Structure_Complexity	687
50888	Undefined_Atom_Stereo_Count	1
7465	Exact_Mass	136.088815002
91746625	Mono_Isotopic_Weight	386.264106985
91415017	Total_Formal_Charge	0
236745	Covalent_Unit_Count	1
5379102	Exact_Mass	113.084063974
16213473	Molecular_Weight	672.9
91667979	XLogP3	3.3
25111945	TPSA	65.7
15442	Rotatable_Bond_Count	1
544638	Total_Formal_Charge	0
763185	Total_Formal_Charge	0
72823952	TPSA	40.5
270010	Mono_Isotopic_Weight	162.02516937
9976892	Defined_Bond_Stereo_Count	0
426756	Hydrogen_Bond_Donor_Count	4
86154978	Hydrogen_Bond_Acceptor_Count	10
97389	Hydrogen_Bond_Acceptor_Count	3
8730	Structure_Complexity	420
66678	Defined_Bond_Stereo_Count	0
65758	XLogP3-AA	3
66559276	Isotope_Atom_Count	0
63400	Defined_Atom_Stereo_Count	0
13612132	Defined_Bond_Stereo_Count	0
4427	Undefined_Bond_Stereo_Count	0
94215	Undefined_Atom_Stereo_Count	1
58647035	Covalent_Unit_Count	1
6507255	Undefined_Bond_Stereo_Count	0
69262871	Defined_Atom_Stereo_Count	0
3722	Total_Formal_Charge	0
136762	Hydrogen_Bond_Donor_Count	1
11020	Hydrogen_Bond_Acceptor_Count	3
45270539	Undefined_Bond_Stereo_Count	0
69488652	Hydrogen_Bond_Donor_Count	0
451239	Hydrogen_Bond_Donor_Count	0
144606028	Defined_Atom_Stereo_Count	0
10197668	Rotatable_Bond_Count	3
11009	Total_Formal_Charge	0
6224	TPSA	141
1133320	Structure_Complexity	573
11829400	TPSA	54
3593	Hydrogen_Bond_Donor_Count	3
16051951	Undefined_Atom_Stereo_Count	0
253276	Defined_Atom_Stereo_Count	0
196639	Covalent_Unit_Count	1
25010550	Undefined_Atom_Stereo_Count	0
45934498	Structure_Complexity	508
7761	Undefined_Bond_Stereo_Count	0
60196294	Isotope_Atom_Count	0
41545	Total_Formal_Charge	0
10329124	Hydrogen_Bond_Donor_Count	12
12358497	TPSA	12.5
125183302	Rotatable_Bond_Count	13
57173187	Structure_Complexity	90.7
2331	Structure_Complexity	106
140808	TPSA	38.7
71384614	Exact_Mass	182.05790880
85794	Total_Formal_Charge	0
92588	Covalent_Unit_Count	1
125395	Molecular_Weight	246.26
529264	Covalent_Unit_Count	1
80395	Undefined_Atom_Stereo_Count	0
9949641	Covalent_Unit_Count	1
18370	Exact_Mass	181.03750770
66622526	Undefined_Bond_Stereo_Count	0
3045402	Undefined_Atom_Stereo_Count	0
53380818	Rotatable_Bond_Count	5
6378649	Undefined_Bond_Stereo_Count	0
149798	Hydrogen_Bond_Acceptor_Count	2
137264	Isotope_Atom_Count	0
42602351	Undefined_Bond_Stereo_Count	0
70443535	Structure_Complexity	151
91756	Molecular_Weight	410.4
69282	Mono_Isotopic_Weight	246.07145086
6278	Hydrogen_Bond_Donor_Count	0
7670	Defined_Bond_Stereo_Count	0
54580844	Exact_Mass	275.12340382
91181590	Exact_Mass	303.14705815
1546	XLogP3	0.8
90248267	Rotatable_Bond_Count	3
74404	Defined_Bond_Stereo_Count	0
13694931	Total_Formal_Charge	0
5826113	Undefined_Atom_Stereo_Count	0
1175	Mono_Isotopic_Weight	168.02834000
21481285	Defined_Atom_Stereo_Count	0
7249	Hydrogen_Bond_Acceptor_Count	1
86583	Hydrogen_Bond_Donor_Count	1
10129907	Defined_Bond_Stereo_Count	0
447661	Defined_Bond_Stereo_Count	0
73695606	TPSA	55.1
4044	Hydrogen_Bond_Acceptor_Count	3
78130	TPSA	20.2
57392964	Defined_Bond_Stereo_Count	0
60196381	Non-hydrogen_Atom_Count	27
71625031	Mono_Isotopic_Weight	487.22711999
20827794	Defined_Bond_Stereo_Count	0
6427071	Molecular_Weight	194.27
6667	Structure_Complexity	322
91668	Defined_Atom_Stereo_Count	6
4538	Rotatable_Bond_Count	2
83547	Molecular_Weight	96.91
734999	Defined_Bond_Stereo_Count	0
120942	Total_Formal_Charge	4
57174138	Rotatable_Bond_Count	2
79608	Defined_Bond_Stereo_Count	0
512289	Undefined_Bond_Stereo_Count	0
25067547	Tautomer_Count	16
133126687	Total_Formal_Charge	0
793	Defined_Bond_Stereo_Count	0
5351	Hydrogen_Bond_Acceptor_Count	10
9954082	Defined_Bond_Stereo_Count	0
10186986	Exact_Mass	535.21072103
5411	Hydrogen_Bond_Acceptor_Count	4
6485793	Non-hydrogen_Atom_Count	28
78468	TPSA	52.6
601880	XLogP3	1.8
57228932	XLogP3-AA	1.4
76883	Undefined_Bond_Stereo_Count	0
216227	Isotope_Atom_Count	0
141643	Defined_Atom_Stereo_Count	0
57370084	Covalent_Unit_Count	1
71358911	Hydrogen_Bond_Donor_Count	0
232656	Structure_Complexity	120
53356659	TPSA	101
53723365	Rotatable_Bond_Count	2
51174	Structure_Complexity	623
11430	Molecular_Weight	138.205
72760	Mono_Isotopic_Weight	254.10150494
3654	Total_Formal_Charge	0
18462872	TPSA	49.3
31336	Mono_Isotopic_Weight	352.0713660
155387567	Structure_Complexity	107
445344	Mono_Isotopic_Weight	893.21967532
96291	Exact_Mass	158.167065321
8233	Non-hydrogen_Atom_Count	51
54419	Structure_Complexity	291
3799953	Exact_Mass	78.03774543
12146767	Hydrogen_Bond_Acceptor_Count	1
9689	Tautomer_Count	1
59473233	Defined_Bond_Stereo_Count	0
64994767	Covalent_Unit_Count	1
15347	Covalent_Unit_Count	1
25072736	Total_Formal_Charge	0
688323	TPSA	41.1
220861	Hydrogen_Bond_Acceptor_Count	14
5372	Rotatable_Bond_Count	7
135409400	Total_Formal_Charge	0
24643	Undefined_Atom_Stereo_Count	0
6763	Molecular_Weight	208.21
10176108	Non-hydrogen_Atom_Count	7
88154	Undefined_Atom_Stereo_Count	0
75444	Undefined_Bond_Stereo_Count	0
4180	Defined_Atom_Stereo_Count	0
53766125	Isotope_Atom_Count	0
100016	Defined_Atom_Stereo_Count	4
13713368	TPSA	32.8
13224	Total_Formal_Charge	0
143184805	Defined_Atom_Stereo_Count	0
87020	XLogP3	1.3
289847	Structure_Complexity	150
59189978	Undefined_Atom_Stereo_Count	0
4627	XLogP3-AA	1.7
719704	Rotatable_Bond_Count	4
117488	Structure_Complexity	330
77942	Undefined_Atom_Stereo_Count	0
7400	Tautomer_Count	1
2766744	Defined_Atom_Stereo_Count	0
72758	Tautomer_Count	2
92209	Hydrogen_Bond_Donor_Count	1
136059	Rotatable_Bond_Count	0
16220016	Molecular_Weight	3431.9
680036	XLogP3-AA	2.7
53815669	Undefined_Atom_Stereo_Count	0
5317111	Structure_Complexity	457
130443288	Structure_Complexity	2330
11571555	Undefined_Bond_Stereo_Count	0
155893624	Isotope_Atom_Count	0
5402	Defined_Atom_Stereo_Count	0
43834	Rotatable_Bond_Count	5
11495505	Defined_Atom_Stereo_Count	0
54289557	Undefined_Atom_Stereo_Count	0
6186	Hydrogen_Bond_Donor_Count	1
135564632	Hydrogen_Bond_Acceptor_Count	4
58222505	XLogP3-AA	0.4
17907809	Undefined_Bond_Stereo_Count	0
53389094	TPSA	74.6
57156265	Hydrogen_Bond_Donor_Count	0
20890	Undefined_Bond_Stereo_Count	0
261555	Mono_Isotopic_Weight	444.36034539
4489	Undefined_Atom_Stereo_Count	19
54007	XLogP3	2.7
480242	Rotatable_Bond_Count	2
134692352	Exact_Mass	453.22637110
166558	Mono_Isotopic_Weight	501.29128003
18618975	Structure_Complexity	72.5
135578046	TPSA	70.7
89089	Structure_Complexity	325
5281249	Undefined_Bond_Stereo_Count	0
36829	Tautomer_Count	1
44310721	Hydrogen_Bond_Acceptor_Count	5
144946255	Exact_Mass	112.088815002
154196048	Hydrogen_Bond_Acceptor_Count	2
16663248	Non-hydrogen_Atom_Count	28
23532160	Hydrogen_Bond_Donor_Count	1
131400288	Hydrogen_Bond_Acceptor_Count	3
57156265	Defined_Bond_Stereo_Count	0
54120	Total_Formal_Charge	0
25608	Isotope_Atom_Count	0
156391	Isotope_Atom_Count	0
18612333	Hydrogen_Bond_Acceptor_Count	0
5329098	XLogP3-AA	2.5
15620607	Isotope_Atom_Count	0
81509	Isotope_Atom_Count	0
10953443	Undefined_Bond_Stereo_Count	0
12554979	Exact_Mass	96.093900383
86101	Molecular_Weight	418.27
62816	Rotatable_Bond_Count	11
1890	XLogP3-AA	2.5
7873	Molecular_Weight	290.19
9952916	Undefined_Bond_Stereo_Count	0
11226090	Defined_Atom_Stereo_Count	2
6125183	TPSA	107
9794197	Mono_Isotopic_Weight	197.0818711
7683	Mono_Isotopic_Weight	212.97893
82917	Isotope_Atom_Count	0
23277877	Total_Formal_Charge	0
6997338	Defined_Bond_Stereo_Count	0
49865493	Defined_Atom_Stereo_Count	0
68260833	Mono_Isotopic_Weight	112.088815002
24883424	Undefined_Atom_Stereo_Count	0
9843750	Rotatable_Bond_Count	5
3001055	Molecular_Weight	314.41
54929	Isotope_Atom_Count	0
118994155	Defined_Atom_Stereo_Count	0
86171381	Structure_Complexity	113
447634	Mono_Isotopic_Weight	230.01915430
2129427	Non-hydrogen_Atom_Count	23
132192027	Covalent_Unit_Count	1
537121	Defined_Bond_Stereo_Count	0
12096001	Defined_Bond_Stereo_Count	2
138527	Isotope_Atom_Count	0
11234052	Molecular_Weight	370.4
123672484	Molecular_Weight	115.17
17305	Defined_Atom_Stereo_Count	0
4592	Defined_Atom_Stereo_Count	0
8196	Defined_Bond_Stereo_Count	0
8151	XLogP3-AA	0.3
102063093	Molecular_Weight	168.23
3162	Undefined_Bond_Stereo_Count	0
68343260	Undefined_Bond_Stereo_Count	0
14040	Molecular_Weight	128.25
542352	Exact_Mass	100.088815002
42006	Rotatable_Bond_Count	2
74789	TPSA	77.3
166581	Tautomer_Count	44
125556	Undefined_Atom_Stereo_Count	0
7940	Isotope_Atom_Count	0
34295	Molecular_Weight	112.19
53480934	Defined_Atom_Stereo_Count	1
11194304	TPSA	28.7
10633	Molecular_Weight	304.5
10290734	TPSA	26
6510	Defined_Atom_Stereo_Count	0
91411400	TPSA	59.2
153100734	Covalent_Unit_Count	1
45027815	TPSA	163
6918572	Total_Formal_Charge	0
5353970	Non-hydrogen_Atom_Count	37
24892722	Structure_Complexity	151
5379102	Total_Formal_Charge	0
13350797	XLogP3-AA	0.1
3073763	TPSA	24.9
150558758	Defined_Bond_Stereo_Count	0
79069	Tautomer_Count	1
46893453	Defined_Atom_Stereo_Count	0
156838775	TPSA	23.8
21896450	TPSA	50.1
2896	Structure_Complexity	178
6992027	Defined_Bond_Stereo_Count	0
11040651	Mono_Isotopic_Weight	110.073164938
9934033	TPSA	70.2
67247849	Undefined_Bond_Stereo_Count	0
136655	Exact_Mass	159.079647300
14022519	XLogP3-AA	1.2
516892	Isotope_Atom_Count	0
199480	TPSA	55.8
408763	Defined_Bond_Stereo_Count	0
17754438	Defined_Atom_Stereo_Count	0
135451156	Mono_Isotopic_Weight	245.09127461
10403	Structure_Complexity	86.7
14830385	Undefined_Bond_Stereo_Count	0
443408	XLogP3	3.6
6553	Mono_Isotopic_Weight	199.88363
409746	Undefined_Bond_Stereo_Count	0
6437840	Tautomer_Count	2
20056625	Structure_Complexity	614
548282	Covalent_Unit_Count	1
85441390	TPSA	9.2
667495	XLogP3-AA	2.4
106729	Covalent_Unit_Count	1
54493752	XLogP3-AA	1.1
80875	Hydrogen_Bond_Donor_Count	0
442070	Isotope_Atom_Count	0
112680	Tautomer_Count	1
23679441	Hydrogen_Bond_Acceptor_Count	13
304035	Tautomer_Count	1
52945793	Non-hydrogen_Atom_Count	30
53973376	Hydrogen_Bond_Donor_Count	1
16033	Hydrogen_Bond_Acceptor_Count	2
2608576	Non-hydrogen_Atom_Count	22
641240	Total_Formal_Charge	0
126969105	XLogP3	3.7
24848325	Isotope_Atom_Count	0
19782729	Defined_Bond_Stereo_Count	0
98468	Tautomer_Count	1
124	Tautomer_Count	2
22096197	Covalent_Unit_Count	1
444493	Molecular_Weight	809.6
135421442	Molecular_Weight	516.7
78160	Defined_Bond_Stereo_Count	0
123962351	TPSA	0
263077	Total_Formal_Charge	0
371256	Rotatable_Bond_Count	3
12498	Structure_Complexity	292
954444	Mono_Isotopic_Weight	291.0581549
446378	Tautomer_Count	1
1662	Covalent_Unit_Count	1
443933	Isotope_Atom_Count	0
5362124	Hydrogen_Bond_Acceptor_Count	6
71679	Total_Formal_Charge	0
14510872	Undefined_Bond_Stereo_Count	0
11137427	Defined_Bond_Stereo_Count	0
68901306	Exact_Mass	461.23145648
4032	Covalent_Unit_Count	1
9396	TPSA	44.8
166796	Structure_Complexity	596
7165	Structure_Complexity	126
92406	Hydrogen_Bond_Acceptor_Count	3
12974	Hydrogen_Bond_Donor_Count	0
16131923	Undefined_Bond_Stereo_Count	0
6327132	Hydrogen_Bond_Donor_Count	0
87964902	XLogP3-AA	2.3
16106	Rotatable_Bond_Count	1
129635152	Exact_Mass	143.95643836
69402	XLogP3-AA	1.4
8757	Structure_Complexity	25.5
13087266	XLogP3-AA	1.5
71583603	Covalent_Unit_Count	1
68184523	Exact_Mass	106.041864811
38439	Undefined_Atom_Stereo_Count	0
69333861	Non-hydrogen_Atom_Count	7
7926	Exact_Mass	250.05410052
85570	Rotatable_Bond_Count	0
49865496	Defined_Bond_Stereo_Count	0
9141	Defined_Bond_Stereo_Count	0
5899	Structure_Complexity	268
6436730	Molecular_Weight	871.0
57756	Defined_Atom_Stereo_Count	0
80396	Total_Formal_Charge	0
95343	Isotope_Atom_Count	0
11832800	Defined_Atom_Stereo_Count	0
6435	Tautomer_Count	15
3034424	TPSA	26.3
46916	Undefined_Atom_Stereo_Count	0
59279784	Undefined_Bond_Stereo_Count	0
10180201	Covalent_Unit_Count	1
236114	Undefined_Atom_Stereo_Count	2
3985879	Exact_Mass	99.104799419
21202	XLogP3-AA	5.3
61181	Structure_Complexity	25.5
11560610	Isotope_Atom_Count	0
5362420	XLogP3-AA	4.9
59392023	Isotope_Atom_Count	0
68079	Undefined_Bond_Stereo_Count	0
101944072	Defined_Bond_Stereo_Count	0
582	Undefined_Bond_Stereo_Count	0
7004	Isotope_Atom_Count	0
68736	Exact_Mass	223.06095954
23574562	Hydrogen_Bond_Acceptor_Count	1
44318267	Exact_Mass	390.11504700
57541295	Molecular_Weight	391.5
165946121	Non-hydrogen_Atom_Count	8
77302	Structure_Complexity	54.9
11952	Undefined_Bond_Stereo_Count	0
21328181	Total_Formal_Charge	0
260809	Non-hydrogen_Atom_Count	9
21953621	Total_Formal_Charge	0
5467	Rotatable_Bond_Count	8
19774759	Exact_Mass	114.079312947
653145	Exact_Mass	320.15362070
15480319	Exact_Mass	170.95872
13642940	Covalent_Unit_Count	1
16760285	Defined_Bond_Stereo_Count	0
84715999	Rotatable_Bond_Count	1
94229	XLogP3	1.3
4353	XLogP3-AA	0.1
101203296	Hydrogen_Bond_Acceptor_Count	1
4895	Hydrogen_Bond_Donor_Count	2
125468	Defined_Bond_Stereo_Count	1
53356659	Structure_Complexity	1580
41384	Exact_Mass	380.21336406
75850	Tautomer_Count	2
68672	Undefined_Atom_Stereo_Count	1
11830	Structure_Complexity	202
81416328	Mono_Isotopic_Weight	114.104465066
45120389	Tautomer_Count	1
6419765	Exact_Mass	261.05719778
7438	Covalent_Unit_Count	1
45270539	Undefined_Atom_Stereo_Count	0
590130	Total_Formal_Charge	0
10614	Structure_Complexity	196
12367598	TPSA	37.3
4997	Structure_Complexity	340
11358	Total_Formal_Charge	0
16726085	Total_Formal_Charge	0
88983	Mono_Isotopic_Weight	226.13174244
14557074	Hydrogen_Bond_Acceptor_Count	3
6067	Molecular_Weight	340.5
40602794	Rotatable_Bond_Count	3
319771	TPSA	41.1
135400183	Covalent_Unit_Count	1
20060494	Undefined_Atom_Stereo_Count	1
18386435	Exact_Mass	116.01095860
71352766	Non-hydrogen_Atom_Count	20
49288	Undefined_Atom_Stereo_Count	1
119606	Rotatable_Bond_Count	5
17887248	Mono_Isotopic_Weight	85.027611728
44564107	Exact_Mass	7591.7553328
25144864	Covalent_Unit_Count	3
60196266	Rotatable_Bond_Count	16
85889	Tautomer_Count	1
64975	Total_Formal_Charge	0
225710	Undefined_Atom_Stereo_Count	1
750190	Defined_Bond_Stereo_Count	0
71354	Tautomer_Count	2
121459	Undefined_Atom_Stereo_Count	0
1071	Undefined_Bond_Stereo_Count	4
6631	Non-hydrogen_Atom_Count	14
13396	Defined_Bond_Stereo_Count	0
24917008	Defined_Atom_Stereo_Count	4
6712744	Covalent_Unit_Count	1
103032	Defined_Bond_Stereo_Count	0
13639781	Exact_Mass	107.037113783
12040	Mono_Isotopic_Weight	116.120115130
611887	Undefined_Bond_Stereo_Count	0
56955954	Defined_Atom_Stereo_Count	0
54690315	Structure_Complexity	160
548353	Total_Formal_Charge	0
5833	Undefined_Bond_Stereo_Count	0
52918379	Non-hydrogen_Atom_Count	68
634876	Total_Formal_Charge	0
63801	Non-hydrogen_Atom_Count	37
145640699	Undefined_Atom_Stereo_Count	2
14456889	Hydrogen_Bond_Donor_Count	2
60569	Tautomer_Count	1
11567707	Total_Formal_Charge	0
2777229	Molecular_Weight	115.13
149127983	Molecular_Weight	100.16
84075989	Non-hydrogen_Atom_Count	8
22256270	Isotope_Atom_Count	0
57656729	Exact_Mass	414.1225460
71587865	Molecular_Weight	380.9
4556055	Mono_Isotopic_Weight	344.23380221
12181	Structure_Complexity	84.1
12561	Covalent_Unit_Count	1
2737121	Defined_Bond_Stereo_Count	0
520721	XLogP3-AA	0.3
80265	Covalent_Unit_Count	1
23675947	Non-hydrogen_Atom_Count	25
134688015	Hydrogen_Bond_Acceptor_Count	0
123191142	Defined_Bond_Stereo_Count	0
14830385	Defined_Atom_Stereo_Count	0
199229	Undefined_Atom_Stereo_Count	2
123159	Exact_Mass	77.0391251595
146570	Hydrogen_Bond_Acceptor_Count	4
53320156	Undefined_Bond_Stereo_Count	0
64617	Undefined_Bond_Stereo_Count	0
6451148	Molecular_Weight	247.25
4339626	Molecular_Weight	101.19
79004	Undefined_Atom_Stereo_Count	1
5367564	Hydrogen_Bond_Donor_Count	0
4943	Isotope_Atom_Count	0
2442	Isotope_Atom_Count	0
17028077	Hydrogen_Bond_Acceptor_Count	3
14872190	Exact_Mass	103.063328530
13233	Rotatable_Bond_Count	0
33643	Undefined_Bond_Stereo_Count	0
74219	Total_Formal_Charge	0
5352130	Isotope_Atom_Count	0
16091096	Total_Formal_Charge	0
14940	Total_Formal_Charge	0
6943688	Covalent_Unit_Count	1
70413	Defined_Bond_Stereo_Count	0
94746	Non-hydrogen_Atom_Count	8
79964	Defined_Bond_Stereo_Count	0
40855	Isotope_Atom_Count	0
7474	Undefined_Bond_Stereo_Count	0
49766037	Mono_Isotopic_Weight	111.068413911
714222	Defined_Bond_Stereo_Count	0
39266	Covalent_Unit_Count	1
449069	Rotatable_Bond_Count	0
4015	Molecular_Weight	299.32
5378708	Total_Formal_Charge	0
70312242	Covalent_Unit_Count	1
65708	Covalent_Unit_Count	1
11140	Rotatable_Bond_Count	1
87784	Mono_Isotopic_Weight	161.058911855
12500871	Structure_Complexity	48.1
136430	Total_Formal_Charge	0
44358318	XLogP3-AA	4.4
4922	Isotope_Atom_Count	0
6433192	Covalent_Unit_Count	2
158389	Undefined_Bond_Stereo_Count	0
95125	Rotatable_Bond_Count	4
8351	Structure_Complexity	229
134758781	Hydrogen_Bond_Donor_Count	6
75987092	Hydrogen_Bond_Acceptor_Count	5
23121765	Defined_Atom_Stereo_Count	0
11501341	Mono_Isotopic_Weight	358.192206
3843	Exact_Mass	495.17942091
925739	Hydrogen_Bond_Acceptor_Count	4
140655119	Hydrogen_Bond_Acceptor_Count	2
79642	Isotope_Atom_Count	0
3640	Hydrogen_Bond_Donor_Count	3
138403272	Mono_Isotopic_Weight	925.50349992
65604	XLogP3-AA	10.7
9843089	Isotope_Atom_Count	0
289085	TPSA	108
5391612	Molecular_Weight	299.28
54880	Tautomer_Count	1
73986	Total_Formal_Charge	0
11986122	Hydrogen_Bond_Acceptor_Count	8
54133029	Mono_Isotopic_Weight	113.047678466
65667	Total_Formal_Charge	0
5281042	Structure_Complexity	1550
4438527	Molecular_Weight	679.0
146089	Molecular_Weight	256.33
5353495	Rotatable_Bond_Count	10
36415	Rotatable_Bond_Count	1
398604	Molecular_Weight	400.4
15559064	Hydrogen_Bond_Donor_Count	0
367985	Mono_Isotopic_Weight	257.07351655
35023	Total_Formal_Charge	0
10967532	Total_Formal_Charge	0
20913	Undefined_Atom_Stereo_Count	0
91688	Exact_Mass	281.0407907
117957447	Structure_Complexity	53.7
3795601	Defined_Atom_Stereo_Count	0
119607	Exact_Mass	314.07251349
23365036	Non-hydrogen_Atom_Count	7
7410	XLogP3	1.6
638011	Hydrogen_Bond_Donor_Count	0
4986139	Mono_Isotopic_Weight	412.9658767
6999115	Undefined_Atom_Stereo_Count	0
24875318	Undefined_Bond_Stereo_Count	0
135618542	Hydrogen_Bond_Acceptor_Count	14
372267	Non-hydrogen_Atom_Count	20
53956290	Non-hydrogen_Atom_Count	27
235738	Undefined_Bond_Stereo_Count	0
18616	Mono_Isotopic_Weight	186.905233
85787089	Non-hydrogen_Atom_Count	8
116701084	Molecular_Weight	104.15
145996525	Total_Formal_Charge	0
18955278	TPSA	21.6
45266541	Hydrogen_Bond_Donor_Count	5
21998472	Mono_Isotopic_Weight	208.146329876
49862460	Isotope_Atom_Count	0
66192	Defined_Atom_Stereo_Count	0
3955344	Exact_Mass	341.98101801
520216	Isotope_Atom_Count	0
7660	Covalent_Unit_Count	1
52905	Covalent_Unit_Count	2
5496540	Molecular_Weight	1425.5
12025	Mono_Isotopic_Weight	85.052763847
5289590	Hydrogen_Bond_Donor_Count	4
159778730	Molecular_Weight	284.35
85531465	Mono_Isotopic_Weight	86.036779430
17321	Covalent_Unit_Count	1
596237	Undefined_Bond_Stereo_Count	0
37094	Defined_Atom_Stereo_Count	1
13642940	Exact_Mass	105.032697108
111026	Structure_Complexity	27.1
10888051	Hydrogen_Bond_Donor_Count	0
96523	Undefined_Atom_Stereo_Count	0
10184665	Hydrogen_Bond_Acceptor_Count	6
13878880	Covalent_Unit_Count	1
2724055	Structure_Complexity	232
68870	TPSA	95.1
19757680	TPSA	94.8
31249	Defined_Atom_Stereo_Count	0
2998624	Undefined_Atom_Stereo_Count	1
44319	Mono_Isotopic_Weight	257.120449483
68503813	Undefined_Bond_Stereo_Count	0
21973769	Isotope_Atom_Count	0
12630477	Isotope_Atom_Count	0
53626	Exact_Mass	292.157563266
6971070	Covalent_Unit_Count	1
11006	Undefined_Bond_Stereo_Count	0
53678373	Rotatable_Bond_Count	0
243575	Exact_Mass	119.058243149
4843	Non-hydrogen_Atom_Count	10
65659	XLogP3-AA	1.8
60196396	Isotope_Atom_Count	0
138395106	Non-hydrogen_Atom_Count	85
14920524	Total_Formal_Charge	0
9998128	Exact_Mass	352.14364454
8446	Tautomer_Count	1
37631	Defined_Bond_Stereo_Count	0
19918	Exact_Mass	218.105527694
24848261	Molecular_Weight	413.9
18330928	Defined_Atom_Stereo_Count	0
53954226	Hydrogen_Bond_Acceptor_Count	2
18364059	Hydrogen_Bond_Acceptor_Count	2
11345692	Total_Formal_Charge	0
72568	Rotatable_Bond_Count	9
2384	Undefined_Atom_Stereo_Count	0
127909	Defined_Bond_Stereo_Count	0
5282181	Structure_Complexity	643
55483	Undefined_Atom_Stereo_Count	0
14106	Isotope_Atom_Count	0
20329340	Undefined_Atom_Stereo_Count	0
5282450	Rotatable_Bond_Count	8
3623	Undefined_Atom_Stereo_Count	3
23673604	Structure_Complexity	328
65422334	Defined_Bond_Stereo_Count	0
22779	Undefined_Atom_Stereo_Count	1
139488	Mono_Isotopic_Weight	96.057514874
69903	Hydrogen_Bond_Acceptor_Count	3
5104	Mono_Isotopic_Weight	262.941106
6909	Covalent_Unit_Count	1
53465	Defined_Bond_Stereo_Count	0
17184	Defined_Bond_Stereo_Count	0
16678941	Mono_Isotopic_Weight	452.11837800
5160	XLogP3-AA	1.2
10254	Mono_Isotopic_Weight	148.088815002
85653	Defined_Atom_Stereo_Count	0
92722	Hydrogen_Bond_Donor_Count	5
17845829	Total_Formal_Charge	0
3032572	Total_Formal_Charge	0
85812	Hydrogen_Bond_Donor_Count	0
16	Hydrogen_Bond_Donor_Count	2
4432690	TPSA	321
4806	Undefined_Bond_Stereo_Count	0
13019066	XLogP3-AA	5.1
11656518	Rotatable_Bond_Count	5
44338969	Total_Formal_Charge	0
18827	Molecular_Weight	128.21
48040	Defined_Atom_Stereo_Count	0
57609	Non-hydrogen_Atom_Count	28
5459124	Isotope_Atom_Count	0
53298813	Covalent_Unit_Count	1
44520830	Covalent_Unit_Count	1
12000240	Mono_Isotopic_Weight	569.17851286
12302681	Molecular_Weight	342.30
9831783	Defined_Atom_Stereo_Count	2
91942	Rotatable_Bond_Count	5
71587428	Covalent_Unit_Count	5
148184759	Undefined_Bond_Stereo_Count	0
6629	Non-hydrogen_Atom_Count	11
6221	Exact_Mass	384.339216023
6735	Exact_Mass	132.057514874
4075159	Structure_Complexity	446
75712	Covalent_Unit_Count	1
562	Hydrogen_Bond_Acceptor_Count	4
21162824	Undefined_Atom_Stereo_Count	2
58270418	Covalent_Unit_Count	1
11697697	Total_Formal_Charge	0
15535737	Hydrogen_Bond_Acceptor_Count	2
66571	Non-hydrogen_Atom_Count	21
118460828	Molecular_Weight	104.15
22181493	Exact_Mass	96.068748264
359379	Undefined_Bond_Stereo_Count	0
53385491	Covalent_Unit_Count	1
76743	Mono_Isotopic_Weight	309.0323340
22654	TPSA	58.5
51402807	Total_Formal_Charge	0
44521024	Isotope_Atom_Count	0
32924	Structure_Complexity	126
136649153	Non-hydrogen_Atom_Count	15
19905962	Undefined_Bond_Stereo_Count	0
5970	Hydrogen_Bond_Donor_Count	2
1342	Tautomer_Count	1
3776	Hydrogen_Bond_Donor_Count	1
135565843	Exact_Mass	315.0556736
518700	Defined_Bond_Stereo_Count	0
12002494	Hydrogen_Bond_Donor_Count	1
587311	Rotatable_Bond_Count	2
375	Rotatable_Bond_Count	31
1179	Hydrogen_Bond_Acceptor_Count	16
9270	Rotatable_Bond_Count	5
87310	Tautomer_Count	1
6919051	Defined_Atom_Stereo_Count	0
33938	Undefined_Atom_Stereo_Count	0
9921468	Structure_Complexity	370
3313	Hydrogen_Bond_Acceptor_Count	4
2826	Rotatable_Bond_Count	5
13401731	Covalent_Unit_Count	1
67296898	Exact_Mass	114.068079557
24233	Total_Formal_Charge	0
13612	Defined_Bond_Stereo_Count	0
72207311	Structure_Complexity	66.5
59999517	Isotope_Atom_Count	0
36354	TPSA	27.6
70034662	Defined_Atom_Stereo_Count	0
9561131	Undefined_Atom_Stereo_Count	0
16131923	Undefined_Atom_Stereo_Count	0
7672	Defined_Bond_Stereo_Count	0
59966656	Undefined_Atom_Stereo_Count	2
558341	Total_Formal_Charge	0
22096	Defined_Atom_Stereo_Count	0
105426925	Undefined_Bond_Stereo_Count	0
129317940	Defined_Atom_Stereo_Count	1
2722	TPSA	33.1
98040	Structure_Complexity	52
27323	Hydrogen_Bond_Acceptor_Count	2
79741	Non-hydrogen_Atom_Count	10
41020	Non-hydrogen_Atom_Count	30
11585872	Undefined_Bond_Stereo_Count	0
100969894	Isotope_Atom_Count	0
7043	Covalent_Unit_Count	1
67271	Exact_Mass	456.09662023
11335	Hydrogen_Bond_Acceptor_Count	1
5363548	Tautomer_Count	1
23114997	Exact_Mass	100.088815002
145802	Defined_Atom_Stereo_Count	0
83864777	Non-hydrogen_Atom_Count	8
71167	Hydrogen_Bond_Acceptor_Count	1
31226	Hydrogen_Bond_Donor_Count	0
120096	Undefined_Bond_Stereo_Count	0
79319	Mono_Isotopic_Weight	296.891789
10721	TPSA	23.8
4293071	Undefined_Bond_Stereo_Count	0
270563	Mono_Isotopic_Weight	219.98876
20542700	Total_Formal_Charge	0
2762280	Non-hydrogen_Atom_Count	21
62517	Mono_Isotopic_Weight	576.156552
961192	Total_Formal_Charge	0
11674455	Defined_Bond_Stereo_Count	0
70447	Undefined_Atom_Stereo_Count	0
44629456	Hydrogen_Bond_Donor_Count	6
3842125	Covalent_Unit_Count	1
4034	Exact_Mass	390.1862766
33498	Defined_Atom_Stereo_Count	2
23695542	TPSA	74.8
2236	Exact_Mass	341.05355169
12344797	Rotatable_Bond_Count	1
12560918	Defined_Bond_Stereo_Count	0
66587017	Total_Formal_Charge	0
16033	Undefined_Bond_Stereo_Count	0
10404073	Hydrogen_Bond_Acceptor_Count	3
6917787	Rotatable_Bond_Count	4
129827453	Structure_Complexity	387
31954	Undefined_Bond_Stereo_Count	0
56134	Defined_Atom_Stereo_Count	0
67247849	Defined_Atom_Stereo_Count	0
21685	Molecular_Weight	206.32
38350	Hydrogen_Bond_Acceptor_Count	5
566503	TPSA	56.7
72728884	Undefined_Bond_Stereo_Count	1
9852981	XLogP3-AA	2.3
42095	Molecular_Weight	174.20
893	Hydrogen_Bond_Donor_Count	1
27402	TPSA	44.5
440996	Exact_Mass	301.05626809
25124826	Molecular_Weight	444.5
4567175	Exact_Mass	318.18444672
23433606	Defined_Atom_Stereo_Count	0
152754843	Undefined_Bond_Stereo_Count	0
6450806	Hydrogen_Bond_Donor_Count	0
146364	Undefined_Atom_Stereo_Count	1
16775060	Non-hydrogen_Atom_Count	7
30692	Exact_Mass	237.96931172
95578	Exact_Mass	208.00989
954608	Total_Formal_Charge	0
100665	Defined_Atom_Stereo_Count	4
168928	Rotatable_Bond_Count	1
25526	Structure_Complexity	1150
9967055	Defined_Atom_Stereo_Count	4
5280878	Mono_Isotopic_Weight	496.26070817
15683	Covalent_Unit_Count	1
68681268	Isotope_Atom_Count	0
10439034	Mono_Isotopic_Weight	632.26332572
41556	Non-hydrogen_Atom_Count	19
25166913	Rotatable_Bond_Count	3
3384	Total_Formal_Charge	0
23422066	Exact_Mass	162.05416083
4616292	Undefined_Atom_Stereo_Count	5
55910	Non-hydrogen_Atom_Count	18
31426	TPSA	80
2318	Undefined_Bond_Stereo_Count	0
142906448	Undefined_Bond_Stereo_Count	0
122	Tautomer_Count	8
68626	Mono_Isotopic_Weight	296.1291556
77881	Exact_Mass	238.75296
219018	Hydrogen_Bond_Donor_Count	2
4181	Defined_Atom_Stereo_Count	0
5942099	Undefined_Atom_Stereo_Count	1
4369502	Defined_Atom_Stereo_Count	1
285097	Non-hydrogen_Atom_Count	13
448025	Covalent_Unit_Count	1
52946545	Defined_Atom_Stereo_Count	1
68402550	TPSA	38
142775	Hydrogen_Bond_Donor_Count	4
57441855	Structure_Complexity	578
139078692	Undefined_Bond_Stereo_Count	0
5488579	Total_Formal_Charge	0
980	Structure_Complexity	123
124605148	Defined_Atom_Stereo_Count	14
606512	Exact_Mass	369.17630742
25056	TPSA	16.1
324814	Rotatable_Bond_Count	4
5546	TPSA	130
42632610	Total_Formal_Charge	0
29701	Defined_Atom_Stereo_Count	0
136705	Covalent_Unit_Count	1
44146477	Exact_Mass	371.1499506
153754883	Defined_Bond_Stereo_Count	0
460392	XLogP3-AA	4.1
21545139	Defined_Bond_Stereo_Count	0
87157524	Structure_Complexity	211
445715	Undefined_Bond_Stereo_Count	0
398635	Mono_Isotopic_Weight	361.0730377
70207914	Undefined_Atom_Stereo_Count	0
59279784	Defined_Atom_Stereo_Count	0
15092989	XLogP3-AA	0.4
2734176	Defined_Atom_Stereo_Count	0
3234	Undefined_Bond_Stereo_Count	1
55604	Hydrogen_Bond_Acceptor_Count	7
14866914	Hydrogen_Bond_Acceptor_Count	3
36209	Exact_Mass	200.237824961
18358	Defined_Bond_Stereo_Count	0
170295	Structure_Complexity	342
156024996	Rotatable_Bond_Count	111
498716	Hydrogen_Bond_Donor_Count	0
3386966	Defined_Bond_Stereo_Count	0
71482	Molecular_Weight	324.68
9403	Undefined_Bond_Stereo_Count	0
104774	Undefined_Atom_Stereo_Count	0
15004706	Hydrogen_Bond_Donor_Count	2
136499	Hydrogen_Bond_Donor_Count	0
10253728	Undefined_Atom_Stereo_Count	0
21549213	Non-hydrogen_Atom_Count	7
839	Exact_Mass	163.04807239
77323	XLogP3	1.1
147020	TPSA	26.3
12455727	Non-hydrogen_Atom_Count	8
60196274	Defined_Atom_Stereo_Count	3
5280581	Hydrogen_Bond_Acceptor_Count	2
5595	TPSA	45.3
3780	Hydrogen_Bond_Acceptor_Count	8
135398729	Defined_Atom_Stereo_Count	0
71416538	Defined_Bond_Stereo_Count	0
60150535	Hydrogen_Bond_Donor_Count	2
14022519	Hydrogen_Bond_Donor_Count	4
222212	Hydrogen_Bond_Donor_Count	0
29837	Structure_Complexity	46.8
39521	Molecular_Weight	249.31
135565884	Defined_Atom_Stereo_Count	1
7711	Rotatable_Bond_Count	4
61177	Undefined_Bond_Stereo_Count	0
43601	Undefined_Atom_Stereo_Count	0
11517020	Undefined_Bond_Stereo_Count	0
18467387	Hydrogen_Bond_Acceptor_Count	2
86076173	Undefined_Atom_Stereo_Count	0
9064	Hydrogen_Bond_Acceptor_Count	6
9840517	Hydrogen_Bond_Donor_Count	4
60196376	Hydrogen_Bond_Donor_Count	1
63979	Undefined_Bond_Stereo_Count	0
16036788	Isotope_Atom_Count	0
12755803	Hydrogen_Bond_Acceptor_Count	1
5359541	Isotope_Atom_Count	0
56556	Rotatable_Bond_Count	6
6585	Mono_Isotopic_Weight	76.016043985
93577	Hydrogen_Bond_Acceptor_Count	8
87155	Undefined_Bond_Stereo_Count	1
1249	Undefined_Atom_Stereo_Count	2
26192	Undefined_Bond_Stereo_Count	0
8101	TPSA	0
199543	Molecular_Weight	108.09
72396	Undefined_Bond_Stereo_Count	0
10953595	Structure_Complexity	146
257501	Defined_Atom_Stereo_Count	0
50894	Molecular_Weight	308.37
13973341	Exact_Mass	115.099714038
18397995	Undefined_Atom_Stereo_Count	6
60785	Tautomer_Count	1
79156	Non-hydrogen_Atom_Count	7
122356	Molecular_Weight	130.19
23681107	Rotatable_Bond_Count	5
67432369	Non-hydrogen_Atom_Count	7
47628	Isotope_Atom_Count	0
4829	Undefined_Atom_Stereo_Count	1
129211	Undefined_Atom_Stereo_Count	0
6887	Isotope_Atom_Count	0
445691	Structure_Complexity	146
58550596	Defined_Bond_Stereo_Count	0
89590	XLogP3	1.4
18310	Mono_Isotopic_Weight	254.073164938
6335951	Isotope_Atom_Count	0
550	TPSA	129
25261	Non-hydrogen_Atom_Count	22
9923162	Defined_Bond_Stereo_Count	0
10291556	Rotatable_Bond_Count	2
14273	Hydrogen_Bond_Acceptor_Count	2
118797455	XLogP3-AA	5.1
10102	Molecular_Weight	204.35
3622	Defined_Bond_Stereo_Count	0
60342	Non-hydrogen_Atom_Count	20
418745	Molecular_Weight	134.14
19607	Hydrogen_Bond_Acceptor_Count	5
70412	Isotope_Atom_Count	0
91700388	XLogP3-AA	2.5
165993043	Isotope_Atom_Count	0
53316138	Exact_Mass	616.34721450
752860	Non-hydrogen_Atom_Count	23
737375	Defined_Atom_Stereo_Count	0
22182162	Undefined_Atom_Stereo_Count	0
54580765	Mono_Isotopic_Weight	374.04357917
134688993	TPSA	74.6
13028868	Covalent_Unit_Count	1
53967	Mono_Isotopic_Weight	184.08479225
33474	Undefined_Atom_Stereo_Count	0
82052	Mono_Isotopic_Weight	153.9588348
635911	Hydrogen_Bond_Acceptor_Count	6
72276	XLogP3	0.4
91165609	Hydrogen_Bond_Donor_Count	1
139099	Defined_Atom_Stereo_Count	0
6921	Undefined_Atom_Stereo_Count	0
11632113	TPSA	111
20547	Non-hydrogen_Atom_Count	12
3050428	Covalent_Unit_Count	1
22271690	Isotope_Atom_Count	0
557737	Undefined_Atom_Stereo_Count	1
12359154	Non-hydrogen_Atom_Count	20
44629654	Mono_Isotopic_Weight	220.170139325
86305	Rotatable_Bond_Count	5
219019	TPSA	52.6
2795887	Molecular_Weight	110.11
58407	Rotatable_Bond_Count	9
3321	Total_Formal_Charge	0
12118	Mono_Isotopic_Weight	191.131014166
342	Isotope_Atom_Count	0
76141	Mono_Isotopic_Weight	71.073499291
88703	Defined_Bond_Stereo_Count	0
413546	Hydrogen_Bond_Donor_Count	0
59450	Exact_Mass	368.23380221
443118	Isotope_Atom_Count	0
14781907	Molecular_Weight	101.15
277406	Isotope_Atom_Count	0
77077	Molecular_Weight	176.66
9820034	Total_Formal_Charge	0
149164152	Mono_Isotopic_Weight	112.052429494
15950520	XLogP3-AA	1.6
88481085	Hydrogen_Bond_Donor_Count	3
7474	Defined_Atom_Stereo_Count	0
64560	Hydrogen_Bond_Donor_Count	0
907457	Total_Formal_Charge	0
44563111	Structure_Complexity	484
1497	Structure_Complexity	552
141201	Isotope_Atom_Count	0
24200857	Undefined_Atom_Stereo_Count	0
71961	Hydrogen_Bond_Acceptor_Count	9
60154330	Covalent_Unit_Count	1
582708	Exact_Mass	356.08644947
375814	Isotope_Atom_Count	0
27197	Molecular_Weight	247.31
5741	Mono_Isotopic_Weight	415.1914215
15983988	Non-hydrogen_Atom_Count	26
9690122	Non-hydrogen_Atom_Count	16
13506	TPSA	242
542556	Defined_Bond_Stereo_Count	0
107766	Total_Formal_Charge	0
20527	Defined_Atom_Stereo_Count	0
53782318	TPSA	17.1
55472	Total_Formal_Charge	0
13349549	Isotope_Atom_Count	0
284	Tautomer_Count	1
37419	Hydrogen_Bond_Donor_Count	1
11345692	Hydrogen_Bond_Donor_Count	0
9855476	Hydrogen_Bond_Acceptor_Count	3
20504	Total_Formal_Charge	0
77262	Covalent_Unit_Count	1
136048918	Total_Formal_Charge	0
11400746	Isotope_Atom_Count	0
136716	Total_Formal_Charge	0
31677	Hydrogen_Bond_Acceptor_Count	2
207292	Tautomer_Count	3
21692	Defined_Atom_Stereo_Count	2
13068890	Non-hydrogen_Atom_Count	8
3011721	Rotatable_Bond_Count	11
134754219	Hydrogen_Bond_Acceptor_Count	12
162918373	Isotope_Atom_Count	0
9570376	Hydrogen_Bond_Acceptor_Count	4
519599	Rotatable_Bond_Count	2
87595695	Exact_Mass	100.100048391
143719689	Defined_Atom_Stereo_Count	0
12727651	Non-hydrogen_Atom_Count	7
344793	TPSA	38.7
23680518	Defined_Atom_Stereo_Count	7
19001504	Undefined_Bond_Stereo_Count	0
79142	Mono_Isotopic_Weight	114.068079557
323180	Undefined_Atom_Stereo_Count	0
6918407	Rotatable_Bond_Count	12
58475	Mono_Isotopic_Weight	244.157563266
23662354	Hydrogen_Bond_Acceptor_Count	4
853747	Exact_Mass	195.9595035
141030371	Hydrogen_Bond_Donor_Count	0
6327514	Defined_Atom_Stereo_Count	0
10898	Tautomer_Count	1
543061	Tautomer_Count	1
67242031	Exact_Mass	106.027946081
154240696	Mono_Isotopic_Weight	99.079647300
13075	Mono_Isotopic_Weight	240.11817103
11710986	Non-hydrogen_Atom_Count	30
15830	Molecular_Weight	139.15
363121	Exact_Mass	236.07970687
13437467	Defined_Bond_Stereo_Count	0
694466	Total_Formal_Charge	0
52393	Mono_Isotopic_Weight	339.1965069
11648276	XLogP3-AA	5.3
89100	Isotope_Atom_Count	0
13696436	Isotope_Atom_Count	0
5200320	Structure_Complexity	56
91501	Tautomer_Count	1
9793696	Undefined_Bond_Stereo_Count	0
47445	Total_Formal_Charge	0
19918535	Molecular_Weight	97.12
25183872	Hydrogen_Bond_Acceptor_Count	4
53319416	Exact_Mass	484.0956626
9940086	TPSA	174
6163	Mono_Isotopic_Weight	154.02997997
189856	Undefined_Bond_Stereo_Count	0
74377607	Molecular_Weight	98.10
14179013	Defined_Atom_Stereo_Count	3
3009355	Undefined_Bond_Stereo_Count	0
643985	Defined_Bond_Stereo_Count	0
292146	Total_Formal_Charge	0
51030896	TPSA	117
131721310	TPSA	0
3941	Structure_Complexity	357
693165	Rotatable_Bond_Count	4
9201	Defined_Bond_Stereo_Count	0
571982	XLogP3-AA	6.1
70682078	Rotatable_Bond_Count	4
359379	Undefined_Atom_Stereo_Count	0
5288209	Rotatable_Bond_Count	6
11670	Covalent_Unit_Count	1
9869142	Structure_Complexity	751
84440	Total_Formal_Charge	0
14505	Non-hydrogen_Atom_Count	8
13247016	Structure_Complexity	44.8
71890	TPSA	76.7
728672	Rotatable_Bond_Count	3
25116186	Hydrogen_Bond_Donor_Count	3
684433	XLogP3-AA	3.2
20230230	Non-hydrogen_Atom_Count	8
122389028	Undefined_Bond_Stereo_Count	0
60510	Isotope_Atom_Count	0
8215	XLogP3	9.6
13385	Rotatable_Bond_Count	0
107767	Tautomer_Count	1
9971484	Undefined_Bond_Stereo_Count	0
3734343	TPSA	90.7
5361919	Total_Formal_Charge	0
153772784	Defined_Atom_Stereo_Count	0
19757496	Defined_Atom_Stereo_Count	0
638051	XLogP3-AA	2.4
59904077	Exact_Mass	342.11621151
41368	Defined_Bond_Stereo_Count	0
63973	Total_Formal_Charge	0
25849	Exact_Mass	275.224914549
71436	Non-hydrogen_Atom_Count	33
13613	Hydrogen_Bond_Donor_Count	0
77037484	TPSA	41.8
160138	TPSA	40.5
198136	Undefined_Bond_Stereo_Count	0
73426	TPSA	49.8
564457	Defined_Atom_Stereo_Count	0
35625	XLogP3-AA	3.5
74859	Total_Formal_Charge	0
42552697	Rotatable_Bond_Count	4
4917	Molecular_Weight	373.9
368	Hydrogen_Bond_Donor_Count	3
25181577	Covalent_Unit_Count	1
45280821	Defined_Bond_Stereo_Count	0
24901347	Rotatable_Bond_Count	11
20100130	Structure_Complexity	420
354578	Covalent_Unit_Count	1
12196274	Structure_Complexity	15.5
13609260	Structure_Complexity	78.6
156417	Mono_Isotopic_Weight	765.42004509
6328144	Hydrogen_Bond_Acceptor_Count	0
6034084	Mono_Isotopic_Weight	230.12665706
87962	Hydrogen_Bond_Donor_Count	1
54569511	Undefined_Bond_Stereo_Count	0
12326432	Covalent_Unit_Count	1
13150	Exact_Mass	130.062994177
12614	Molecular_Weight	108.18
8330	Rotatable_Bond_Count	0
24815434	Total_Formal_Charge	0
13400657	Rotatable_Bond_Count	1
6131	Total_Formal_Charge	0
10313077	Non-hydrogen_Atom_Count	7
13464587	Molecular_Weight	107.11
533884	Molecular_Weight	99.17
129789506	Structure_Complexity	126
203443	Total_Formal_Charge	0
38040	Undefined_Atom_Stereo_Count	0
11829391	Molecular_Weight	112.17
7005	Exact_Mass	144.057514874
521993	Exact_Mass	102.068079557
129514	Mono_Isotopic_Weight	431.01883720
445501	XLogP3-AA	3.1
72199539	Isotope_Atom_Count	0
15308711	Isotope_Atom_Count	0
9861780	Hydrogen_Bond_Acceptor_Count	8
44443933	Exact_Mass	486.20492463
156618179	Exact_Mass	342.11621151
3413278	Total_Formal_Charge	1
216712	Mono_Isotopic_Weight	332.03929861
5086	Covalent_Unit_Count	1
54066875	Undefined_Atom_Stereo_Count	0
19933114	Undefined_Atom_Stereo_Count	2
9925	Non-hydrogen_Atom_Count	22
530422	Covalent_Unit_Count	1
54132691	Mono_Isotopic_Weight	108.093900383
110862	XLogP3-AA	0.3
54601825	Rotatable_Bond_Count	7
403832	XLogP3-AA	7
129861997	Undefined_Bond_Stereo_Count	0
23327	Mono_Isotopic_Weight	147.05315777
268370	Hydrogen_Bond_Acceptor_Count	6
89518758	Structure_Complexity	382
7030	Defined_Bond_Stereo_Count	0
23677960	Total_Formal_Charge	0
13245709	Covalent_Unit_Count	1
142657543	XLogP3-AA	0.6
129629634	Rotatable_Bond_Count	0
114840	Exact_Mass	271.12084340
1999	Defined_Bond_Stereo_Count	0
9821547	Structure_Complexity	485
14020446	Covalent_Unit_Count	1
123226	Molecular_Weight	142.11
19708414	Total_Formal_Charge	0
23677989	Exact_Mass	751.15939355
7524	Total_Formal_Charge	0
135410917	Defined_Bond_Stereo_Count	0
45266826	Defined_Atom_Stereo_Count	0
22037858	Exact_Mass	86.011627311
6093241	TPSA	81.3
101099404	Covalent_Unit_Count	1
154825561	XLogP3-AA	2.9
9548634	Molecular_Weight	437.5
6256685	Non-hydrogen_Atom_Count	18
162681	Hydrogen_Bond_Acceptor_Count	5
25199597	TPSA	94.9
23661014	Defined_Bond_Stereo_Count	0
21391554	Exact_Mass	101.047678466
98633	Molecular_Weight	211.26
449223	Hydrogen_Bond_Donor_Count	4
273032	Hydrogen_Bond_Donor_Count	2
16141649	Non-hydrogen_Atom_Count	125
98051218	Undefined_Atom_Stereo_Count	0
471895	Structure_Complexity	752
124770287	Rotatable_Bond_Count	3
131954782	Total_Formal_Charge	0
132500979	Hydrogen_Bond_Acceptor_Count	3
323188	Covalent_Unit_Count	1
22715624	Mono_Isotopic_Weight	84.057514874
92210	Undefined_Atom_Stereo_Count	2
70400	Hydrogen_Bond_Donor_Count	0
82513	Non-hydrogen_Atom_Count	17
153939	Total_Formal_Charge	0
135531169	XLogP3-AA	2.7
145874935	TPSA	110
22678982	Isotope_Atom_Count	0
9445	Molecular_Weight	207.01
8200	Structure_Complexity	78.6
20015	XLogP3-AA	4.6
67258371	Hydrogen_Bond_Acceptor_Count	3
344793	Undefined_Atom_Stereo_Count	1
71601	Rotatable_Bond_Count	0
2206	Molecular_Weight	188.23
6918267	Mono_Isotopic_Weight	755.48197664
5937	TPSA	104
130802	Total_Formal_Charge	0
3876660	Molecular_Weight	380.5
6417	Exact_Mass	102.068079557
71778	Covalent_Unit_Count	1
11146968	Molecular_Weight	719.0
68975085	Exact_Mass	86.084398327
27435	Defined_Atom_Stereo_Count	0
61868	Hydrogen_Bond_Acceptor_Count	2
7323	Total_Formal_Charge	0
87112	Exact_Mass	174.031694049
88686	Molecular_Weight	85.003
13800357	Covalent_Unit_Count	1
23677960	TPSA	81.6
10746	Exact_Mass	485.91889
10476	XLogP3-AA	1.1
819291	Exact_Mass	116.047344113
1044	Tautomer_Count	4
53814234	Molecular_Weight	101.10
44242939	Isotope_Atom_Count	0
75534859	Covalent_Unit_Count	1
67535	Defined_Bond_Stereo_Count	0
53699711	Hydrogen_Bond_Donor_Count	2
134694302	Exact_Mass	478.842666
11405875	Exact_Mass	364.0978555
11454753	Hydrogen_Bond_Acceptor_Count	6
64648	Total_Formal_Charge	0
9826358	Rotatable_Bond_Count	6
10034581	Undefined_Atom_Stereo_Count	0
23521592	Total_Formal_Charge	0
11279	Structure_Complexity	155
76672	Undefined_Atom_Stereo_Count	0
216261	Covalent_Unit_Count	1
16495	Hydrogen_Bond_Donor_Count	0
38286	Tautomer_Count	2
7728	Molecular_Weight	121.18
22206	Molecular_Weight	229.71
20435	Defined_Atom_Stereo_Count	3
16122612	Hydrogen_Bond_Donor_Count	1
18626423	Non-hydrogen_Atom_Count	8
26462	TPSA	29.5
77912	Defined_Atom_Stereo_Count	0
34230	Structure_Complexity	1230
91760	Covalent_Unit_Count	1
15109	Defined_Bond_Stereo_Count	0
10774305	Covalent_Unit_Count	1
6641	Molecular_Weight	270.4
1611	TPSA	191
58270057	Hydrogen_Bond_Acceptor_Count	2
2724159	Defined_Atom_Stereo_Count	1
6427057	Rotatable_Bond_Count	8
85252	Rotatable_Bond_Count	4
53674114	Structure_Complexity	128
110635	Hydrogen_Bond_Acceptor_Count	4
60988	Mono_Isotopic_Weight	252.97147929
3917956	Mono_Isotopic_Weight	199.93472
220181	Structure_Complexity	327
94972	Defined_Atom_Stereo_Count	0
6371	Hydrogen_Bond_Acceptor_Count	1
101742	Mono_Isotopic_Weight	387.1713548
5483624	Hydrogen_Bond_Acceptor_Count	2
154544	Defined_Atom_Stereo_Count	0
57417230	Non-hydrogen_Atom_Count	85
22614138	Non-hydrogen_Atom_Count	8
132263855	Exact_Mass	342.11621151
11398	Rotatable_Bond_Count	2
2736256	Total_Formal_Charge	0
11863	Undefined_Bond_Stereo_Count	0
102592515	Rotatable_Bond_Count	0
443156	Hydrogen_Bond_Acceptor_Count	0
53817503	XLogP3-AA	1.1
44324020	Exact_Mass	284.16237386
193602	Hydrogen_Bond_Acceptor_Count	3
4416	Undefined_Bond_Stereo_Count	0
208	TPSA	157
5513	Undefined_Atom_Stereo_Count	31
57750418	Exact_Mass	382.19173754
69744	Isotope_Atom_Count	0
75059709	Total_Formal_Charge	0
54961	Rotatable_Bond_Count	5
5600	Rotatable_Bond_Count	26
57829	XLogP3-AA	3.1
78320408	Mono_Isotopic_Weight	518.25047541
2771013	TPSA	95.9
69049742	Undefined_Bond_Stereo_Count	0
65263	Undefined_Bond_Stereo_Count	0
6917874	Hydrogen_Bond_Acceptor_Count	17
9926054	Undefined_Atom_Stereo_Count	0
156599239	Hydrogen_Bond_Acceptor_Count	3
90469695	Isotope_Atom_Count	0
165363121	Non-hydrogen_Atom_Count	19
11137	Non-hydrogen_Atom_Count	10
446400	XLogP3-AA	6.8
56955286	TPSA	58.7
146868632	TPSA	29.5
6440764	Hydrogen_Bond_Acceptor_Count	10
11457683	Exact_Mass	116.083729621
65272	Covalent_Unit_Count	1
90658992	Isotope_Atom_Count	0
2734054	Total_Formal_Charge	0
123525	Tautomer_Count	1
71259	TPSA	244
12193680	Non-hydrogen_Atom_Count	34
135564654	Structure_Complexity	1110
12648672	Molecular_Weight	102.13
87476740	Rotatable_Bond_Count	1
99207	Non-hydrogen_Atom_Count	31
5732	Molecular_Weight	307.4
65776	Hydrogen_Bond_Acceptor_Count	3
68603	Exact_Mass	428.1997337
79723	Hydrogen_Bond_Acceptor_Count	8
5311	Tautomer_Count	12
5329103	Covalent_Unit_Count	1
121755	Undefined_Bond_Stereo_Count	0
9543169	Hydrogen_Bond_Donor_Count	9
79005	Hydrogen_Bond_Acceptor_Count	1
84614	XLogP3-AA	3
85864685	Undefined_Bond_Stereo_Count	0
15773	Rotatable_Bond_Count	9
118797420	Molecular_Weight	186.11
14107712	Covalent_Unit_Count	1
288862	Rotatable_Bond_Count	1
69135	Isotope_Atom_Count	0
81332758	Hydrogen_Bond_Donor_Count	0
155487763	Molecular_Weight	1027.2
138059742	Isotope_Atom_Count	0
49862689	Total_Formal_Charge	0
139920	Defined_Atom_Stereo_Count	0
15983988	Covalent_Unit_Count	1
5462350	TPSA	59
22198	TPSA	29.3
32912	Mono_Isotopic_Weight	256.240230259
517414	Structure_Complexity	231
11936	Molecular_Weight	192.25
9168	XLogP3	8.2
21894213	Mono_Isotopic_Weight	199.12084340
38019	Exact_Mass	359.841466
53316138	TPSA	170
3828	Rotatable_Bond_Count	2
34850	Undefined_Bond_Stereo_Count	0
5362772	Isotope_Atom_Count	0
2762647	Total_Formal_Charge	0
2267	Defined_Bond_Stereo_Count	0
44792	Exact_Mass	173.177964357
6918653	XLogP3-AA	2.4
30154	Total_Formal_Charge	0
68938028	TPSA	53
62553	Exact_Mass	178.099379685
136420	Non-hydrogen_Atom_Count	23
62092	Defined_Bond_Stereo_Count	0
11421	Exact_Mass	108.021129366
74886	Total_Formal_Charge	0
71905	Undefined_Atom_Stereo_Count	0
130025161	Total_Formal_Charge	0
92140	Structure_Complexity	1230
446998	Structure_Complexity	307
70543261	Mono_Isotopic_Weight	180.06338810
18850	Exact_Mass	82.078250319
71902	Defined_Atom_Stereo_Count	5
64778	Undefined_Atom_Stereo_Count	0
21306607	Total_Formal_Charge	0
21516623	Hydrogen_Bond_Donor_Count	0
2783363	Isotope_Atom_Count	0
21998683	Undefined_Bond_Stereo_Count	0
68888	Mono_Isotopic_Weight	187.12084340
162349	Total_Formal_Charge	0
11108673	Defined_Atom_Stereo_Count	4
10539198	Hydrogen_Bond_Donor_Count	4
70715	Total_Formal_Charge	0
19870792	Covalent_Unit_Count	1
171018	Total_Formal_Charge	0
160368576	TPSA	99.6
12756	Non-hydrogen_Atom_Count	8
5329106	Defined_Atom_Stereo_Count	0
4523964	Defined_Bond_Stereo_Count	0
9579	Non-hydrogen_Atom_Count	12
71206	Non-hydrogen_Atom_Count	49
95512	Hydrogen_Bond_Acceptor_Count	1
7540	Molecular_Weight	310.3
8711	Molecular_Weight	111.10
74680	Defined_Atom_Stereo_Count	0
36149	TPSA	93.1
14808025	Hydrogen_Bond_Donor_Count	1
92626	Isotope_Atom_Count	0
13452165	Non-hydrogen_Atom_Count	16
2777993	Isotope_Atom_Count	0
13625	Hydrogen_Bond_Donor_Count	1
11498	Undefined_Atom_Stereo_Count	0
53743621	Total_Formal_Charge	0
5460044	Hydrogen_Bond_Donor_Count	6
17179	Hydrogen_Bond_Donor_Count	0
100472	Undefined_Atom_Stereo_Count	0
2723770	Undefined_Atom_Stereo_Count	0
10176730	Mono_Isotopic_Weight	213.0071819
637931	Tautomer_Count	1
79224	Hydrogen_Bond_Donor_Count	0
5537	Defined_Bond_Stereo_Count	0
27119	Non-hydrogen_Atom_Count	14
11988953	Isotope_Atom_Count	0
72	Isotope_Atom_Count	0
111878	TPSA	35.2
15325996	Covalent_Unit_Count	1
36392	Isotope_Atom_Count	0
246724	Isotope_Atom_Count	0
74325	XLogP3	1.3
74279	Total_Formal_Charge	0
480242	Exact_Mass	214.07020481
70309	Covalent_Unit_Count	1
74760	Hydrogen_Bond_Acceptor_Count	2
505	Rotatable_Bond_Count	5
534258	Exact_Mass	100.088815002
398632	Rotatable_Bond_Count	2
301567	Hydrogen_Bond_Acceptor_Count	1
6918203	Tautomer_Count	1
92974077	Hydrogen_Bond_Acceptor_Count	3
1218	Structure_Complexity	322
13977927	Exact_Mass	100.052429494
2737403	Isotope_Atom_Count	0
657251	Exact_Mass	388.0987820
159772	Tautomer_Count	4
4019563	Mono_Isotopic_Weight	419.97220756
89707354	Isotope_Atom_Count	0
53245646	Mono_Isotopic_Weight	453.20524173
140979362	Non-hydrogen_Atom_Count	7
11829353	Undefined_Atom_Stereo_Count	0
992	Total_Formal_Charge	0
19604274	Structure_Complexity	267
123114	Mono_Isotopic_Weight	70.041864811
5169	Non-hydrogen_Atom_Count	25
20782632	Undefined_Bond_Stereo_Count	0
31593	Mono_Isotopic_Weight	260.09094026
17864	Molecular_Weight	152.03
19422150	Undefined_Atom_Stereo_Count	1
21692	Structure_Complexity	461
43	Undefined_Bond_Stereo_Count	0
7065	Structure_Complexity	298
5748845	Hydrogen_Bond_Acceptor_Count	12
148022	Structure_Complexity	119
38347	Structure_Complexity	253
11518241	Structure_Complexity	647
131714458	Hydrogen_Bond_Acceptor_Count	10
282001	Defined_Atom_Stereo_Count	0
3814	Isotope_Atom_Count	0
18356755	Defined_Bond_Stereo_Count	0
59047	Total_Formal_Charge	0
65217	Hydrogen_Bond_Acceptor_Count	5
6434217	Covalent_Unit_Count	1
148680795	Mono_Isotopic_Weight	112.088815002
136219151	Undefined_Bond_Stereo_Count	0
123597	Undefined_Atom_Stereo_Count	1
11865410	Isotope_Atom_Count	0
123190012	Exact_Mass	94.078250319
4369414	Hydrogen_Bond_Acceptor_Count	8
72145	TPSA	111
16637	XLogP3-AA	0.9
11960529	Hydrogen_Bond_Acceptor_Count	3
71439018	Covalent_Unit_Count	4
29778	Rotatable_Bond_Count	4
1810216	Defined_Bond_Stereo_Count	0
14966433	Undefined_Atom_Stereo_Count	0
136228204	Tautomer_Count	3
12542	Undefined_Bond_Stereo_Count	0
129636415	Molecular_Weight	492.6
533473	Hydrogen_Bond_Acceptor_Count	2
2147	Rotatable_Bond_Count	0
80385	Total_Formal_Charge	0
134694951	Covalent_Unit_Count	2
160312	XLogP3-AA	3.7
117	Covalent_Unit_Count	1
91236903	Covalent_Unit_Count	1
71776101	Covalent_Unit_Count	1
5371	Rotatable_Bond_Count	6
6548	Undefined_Atom_Stereo_Count	1
78320408	Covalent_Unit_Count	1
67648	Non-hydrogen_Atom_Count	22
91395	Covalent_Unit_Count	1
210	Undefined_Bond_Stereo_Count	0
20639618	TPSA	0
76539	Covalent_Unit_Count	1
60595	Hydrogen_Bond_Donor_Count	0
35329	Non-hydrogen_Atom_Count	39
2144	TPSA	142
71457270	Covalent_Unit_Count	1
72199381	Defined_Bond_Stereo_Count	0
23669624	Structure_Complexity	184
5114908	Hydrogen_Bond_Acceptor_Count	1
87367	Undefined_Atom_Stereo_Count	0
123690360	Isotope_Atom_Count	0
57396041	Undefined_Atom_Stereo_Count	0
118705485	Undefined_Atom_Stereo_Count	1
148573599	Hydrogen_Bond_Acceptor_Count	0
71731823	Undefined_Bond_Stereo_Count	0
6918585	Hydrogen_Bond_Acceptor_Count	56
46861584	Defined_Atom_Stereo_Count	0
11054	Isotope_Atom_Count	0
5353613	Total_Formal_Charge	0
5283344	Non-hydrogen_Atom_Count	11
57055230	Exact_Mass	103.063328530
20233665	Covalent_Unit_Count	1
11240438	Defined_Atom_Stereo_Count	0
158144361	Non-hydrogen_Atom_Count	7
3054	TPSA	40.5
134825353	Defined_Bond_Stereo_Count	0
23430	Mono_Isotopic_Weight	448.18456586
3680403	Undefined_Atom_Stereo_Count	0
24586	Defined_Bond_Stereo_Count	0
3002820	Hydrogen_Bond_Donor_Count	0
76366	Rotatable_Bond_Count	36
23394557	Undefined_Atom_Stereo_Count	0
130368	Covalent_Unit_Count	1
443156	Defined_Atom_Stereo_Count	2
57992058	Undefined_Bond_Stereo_Count	0
515574	Structure_Complexity	194
2762918	Hydrogen_Bond_Donor_Count	1
23338787	Total_Formal_Charge	0
11500273	Rotatable_Bond_Count	5
411312	Molecular_Weight	299.4
88705	Covalent_Unit_Count	1
9313	Mono_Isotopic_Weight	273.011291
149519	Non-hydrogen_Atom_Count	26
12539494	Isotope_Atom_Count	0
562	Molecular_Weight	162.21
13050	Defined_Atom_Stereo_Count	0
13247	XLogP3	2.8
9690	Exact_Mass	277.07144843
57341	Exact_Mass	298.14297583
1662	Non-hydrogen_Atom_Count	11
653145	Isotope_Atom_Count	0
66683197	Undefined_Atom_Stereo_Count	1
524215	Mono_Isotopic_Weight	106.078250319
184830	Molecular_Weight	114.14
121326433	Hydrogen_Bond_Donor_Count	0
17801761	Isotope_Atom_Count	0
12720844	Structure_Complexity	112
289151	Isotope_Atom_Count	0
428338	Hydrogen_Bond_Donor_Count	2
22499346	Isotope_Atom_Count	0
3865578	Rotatable_Bond_Count	2
12669583	XLogP3-AA	1.2
57335384	Undefined_Atom_Stereo_Count	0
79476	Molecular_Weight	248.4
16051921	Non-hydrogen_Atom_Count	26
23663979	Hydrogen_Bond_Donor_Count	2
90498	Non-hydrogen_Atom_Count	6
60285	Exact_Mass	310.18925731
9318	TPSA	80.3
146395	Covalent_Unit_Count	3
6917778	Non-hydrogen_Atom_Count	19
75779	Molecular_Weight	452.8
21349800	Hydrogen_Bond_Acceptor_Count	3
70689830	Undefined_Bond_Stereo_Count	0
32249	Total_Formal_Charge	0
68807700	Hydrogen_Bond_Donor_Count	2
71517528	Covalent_Unit_Count	1
87868	Total_Formal_Charge	0
10630456	Mono_Isotopic_Weight	112.063662883
13138140	Hydrogen_Bond_Acceptor_Count	14
159384	Isotope_Atom_Count	0
89800161	Rotatable_Bond_Count	15
317677	Rotatable_Bond_Count	2
23664980	Mono_Isotopic_Weight	456.09671647
277990	TPSA	37.4
71415	Isotope_Atom_Count	0
11787	TPSA	20.2
130000966	Rotatable_Bond_Count	1
110862	Structure_Complexity	66.9
10677836	XLogP3-AA	7.5
18656	Undefined_Bond_Stereo_Count	0
91754427	Covalent_Unit_Count	4
121323963	Exact_Mass	112.052429494
45085139	Total_Formal_Charge	0
57349791	Total_Formal_Charge	0
20474	Structure_Complexity	107
9849313	Structure_Complexity	673
4165	Hydrogen_Bond_Acceptor_Count	5
21998212	Exact_Mass	101.047678466
21685	Exact_Mass	206.167065321
44392114	Covalent_Unit_Count	1
968645	Undefined_Atom_Stereo_Count	0
66137	Isotope_Atom_Count	0
119033	Undefined_Atom_Stereo_Count	0
7897	Exact_Mass	88.052429494
4367	Total_Formal_Charge	0
694	Isotope_Atom_Count	0
10200589	Non-hydrogen_Atom_Count	29
21205308	Undefined_Bond_Stereo_Count	0
636857	XLogP3-AA	3.1
40475911	Defined_Atom_Stereo_Count	1
64781	Hydrogen_Bond_Acceptor_Count	7
718862	Structure_Complexity	347
61056	Exact_Mass	186.198365449
24978601	Defined_Bond_Stereo_Count	1
11167	TPSA	44.4
137580	Rotatable_Bond_Count	1
135438601	Structure_Complexity	208
75059709	Isotope_Atom_Count	0
5478986	Covalent_Unit_Count	1
5484450	TPSA	45.6
5284503	Hydrogen_Bond_Acceptor_Count	1
20135736	Defined_Atom_Stereo_Count	0
439263	TPSA	20.2
424747	Molecular_Weight	298.4
22313123	Structure_Complexity	297
123744867	Hydrogen_Bond_Acceptor_Count	1
65987055	Defined_Atom_Stereo_Count	0
65092	TPSA	34.5
43986	TPSA	26.8
164576789	Undefined_Bond_Stereo_Count	1
669688	Total_Formal_Charge	0
6436148	Hydrogen_Bond_Donor_Count	1
49867936	Exact_Mass	516.0873659
89061875	Structure_Complexity	103
10634	Total_Formal_Charge	0
67296898	Isotope_Atom_Count	0
84647614	Hydrogen_Bond_Acceptor_Count	3
15222234	Isotope_Atom_Count	0
3418	Isotope_Atom_Count	0
65263	Rotatable_Bond_Count	32
57121306	Isotope_Atom_Count	0
12707110	Rotatable_Bond_Count	0
5746	Defined_Bond_Stereo_Count	0
57357013	Hydrogen_Bond_Donor_Count	1
12502857	Undefined_Atom_Stereo_Count	0
84647614	Defined_Atom_Stereo_Count	0
18698713	Molecular_Weight	100.12
5460853	Undefined_Atom_Stereo_Count	0
69932654	Structure_Complexity	76.8
9939627	Hydrogen_Bond_Acceptor_Count	11
44339100	Undefined_Atom_Stereo_Count	0
67240514	Exact_Mass	96.032362755
86359	Molecular_Weight	320.0
138492	Tautomer_Count	3
5364759	Isotope_Atom_Count	0
5746249	Rotatable_Bond_Count	5
24873435	Molecular_Weight	749.9
92044406	Structure_Complexity	2410
5460094	Total_Formal_Charge	0
14355311	Mono_Isotopic_Weight	121.01974964
5281437	Total_Formal_Charge	0
51971	Molecular_Weight	284.4
446210	Exact_Mass	493.99916019
9988	Covalent_Unit_Count	1
2795425	Hydrogen_Bond_Donor_Count	0
106823823	Mono_Isotopic_Weight	116.083729621
143506727	Exact_Mass	108.093900383
7219	Hydrogen_Bond_Donor_Count	0
157903531	Defined_Atom_Stereo_Count	0
53682689	TPSA	17.1
114523	Tautomer_Count	1
522741	Molecular_Weight	406.5
137724	Defined_Atom_Stereo_Count	0
5362736	Isotope_Atom_Count	0
5045	Defined_Bond_Stereo_Count	0
41881	Undefined_Atom_Stereo_Count	0
876	Defined_Bond_Stereo_Count	0
71776638	Undefined_Bond_Stereo_Count	0
14027412	Non-hydrogen_Atom_Count	8
137518	Defined_Bond_Stereo_Count	0
10492	Isotope_Atom_Count	0
5353370	Hydrogen_Bond_Donor_Count	1
10760	Mono_Isotopic_Weight	226.12050905
118771	Mono_Isotopic_Weight	265.18216827
54675758	Hydrogen_Bond_Acceptor_Count	8
447339	Isotope_Atom_Count	0
6950306	Defined_Atom_Stereo_Count	1
1544	Rotatable_Bond_Count	22
5464344	Hydrogen_Bond_Acceptor_Count	7
8508	Isotope_Atom_Count	0
24685	Tautomer_Count	2
95978	Undefined_Atom_Stereo_Count	0
66769579	Exact_Mass	97.052763847
12518095	Undefined_Atom_Stereo_Count	0
23519825	Mono_Isotopic_Weight	381.0484802
13381	Molecular_Weight	140.27
97982	Undefined_Bond_Stereo_Count	0
10032582	Undefined_Atom_Stereo_Count	0
7841	Exact_Mass	119.95746
60196413	Structure_Complexity	552
10180182	Hydrogen_Bond_Acceptor_Count	3
65272	Undefined_Atom_Stereo_Count	1
69558	Defined_Bond_Stereo_Count	0
71208	Covalent_Unit_Count	1
6918457	Undefined_Atom_Stereo_Count	0
71490	Isotope_Atom_Count	0
2720	Total_Formal_Charge	0
3415	Structure_Complexity	120
70864	Total_Formal_Charge	0
19879	Molecular_Weight	234.28
89105	Defined_Atom_Stereo_Count	0
53627428	Structure_Complexity	607
11940	Defined_Atom_Stereo_Count	0
46843057	Hydrogen_Bond_Acceptor_Count	5
24180719	Non-hydrogen_Atom_Count	27
71463826	Exact_Mass	460.39164552
20526784	Molecular_Weight	111.10
76476	Undefined_Atom_Stereo_Count	0
73200935	TPSA	0
4583	Rotatable_Bond_Count	2
23350	Non-hydrogen_Atom_Count	7
93556	Defined_Bond_Stereo_Count	0
87282052	Covalent_Unit_Count	1
12532405	Defined_Atom_Stereo_Count	0
19266	Isotope_Atom_Count	0
1437838	Undefined_Atom_Stereo_Count	0
57398166	Structure_Complexity	605
196396	Structure_Complexity	825
94418	Isotope_Atom_Count	0
90876965	Mono_Isotopic_Weight	112.088815002
21750168	Rotatable_Bond_Count	1
26033	Non-hydrogen_Atom_Count	24
26859	Rotatable_Bond_Count	4
82506	Molecular_Weight	192.21
10071747	XLogP3-AA	3
62725	Molecular_Weight	141.24
56430	Defined_Atom_Stereo_Count	0
9983292	Undefined_Bond_Stereo_Count	0
6438028	Tautomer_Count	1
12820525	Non-hydrogen_Atom_Count	7
23691996	Isotope_Atom_Count	0
18352756	Isotope_Atom_Count	0
53316393	Hydrogen_Bond_Acceptor_Count	5
5374274	Defined_Atom_Stereo_Count	0
62695	Undefined_Bond_Stereo_Count	0
15677	Covalent_Unit_Count	1
135938	Structure_Complexity	153
65422334	Exact_Mass	114.104465066
121938	Undefined_Bond_Stereo_Count	0
84072909	Rotatable_Bond_Count	1
73653033	Hydrogen_Bond_Donor_Count	1
140523	Exact_Mass	125.058911855
129010082	Molecular_Weight	905.0
52945793	Rotatable_Bond_Count	6
5092	Structure_Complexity	341
115069	Non-hydrogen_Atom_Count	24
148184759	TPSA	21.9
16413917	Molecular_Weight	713.1
21117498	Defined_Atom_Stereo_Count	0
159952	Defined_Atom_Stereo_Count	0
121596237	Structure_Complexity	165
74089	Isotope_Atom_Count	0
424361	Defined_Atom_Stereo_Count	0
83823	Mono_Isotopic_Weight	461.20496695
9421	Defined_Bond_Stereo_Count	0
73603	Defined_Bond_Stereo_Count	0
139085816	Covalent_Unit_Count	1
458821	TPSA	92.5
651092	Exact_Mass	331.10314248
139586083	Hydrogen_Bond_Donor_Count	16
67515	XLogP3-AA	1
6994977	Rotatable_Bond_Count	7
71777705	Defined_Atom_Stereo_Count	0
135398748	Undefined_Bond_Stereo_Count	0
24883735	Defined_Bond_Stereo_Count	0
107973	Rotatable_Bond_Count	5
156618033	Undefined_Atom_Stereo_Count	0
154240696	Defined_Atom_Stereo_Count	0
86278348	Rotatable_Bond_Count	11
9874875	Hydrogen_Bond_Acceptor_Count	4
6604557	Undefined_Bond_Stereo_Count	0
524655	Mono_Isotopic_Weight	98.109550447
86373	Molecular_Weight	774.13
1053	Hydrogen_Bond_Acceptor_Count	7
31284	Tautomer_Count	1
70523	Total_Formal_Charge	0
87468080	Structure_Complexity	124
121409291	Total_Formal_Charge	0
222155	XLogP3	0.8
6999971	Undefined_Bond_Stereo_Count	0
67379186	Undefined_Atom_Stereo_Count	0
5496862	XLogP3-AA	2.7
454386	Tautomer_Count	5
49757967	Mono_Isotopic_Weight	112.063662883
154132	TPSA	58.2
58612101	Isotope_Atom_Count	0
61007	XLogP3	2.1
93032	Defined_Bond_Stereo_Count	0
436533	Defined_Bond_Stereo_Count	0
442424	TPSA	76
11029807	Covalent_Unit_Count	1
71358240	Molecular_Weight	111.10
11198850	Covalent_Unit_Count	1
12536263	Covalent_Unit_Count	1
21998683	Exact_Mass	97.089149355
970440	Non-hydrogen_Atom_Count	22
969014	Undefined_Atom_Stereo_Count	0
22628430	Hydrogen_Bond_Donor_Count	0
143035	Molecular_Weight	68.07
70680970	Covalent_Unit_Count	1
82513	Hydrogen_Bond_Donor_Count	1
7017620	TPSA	38
49862517	Defined_Bond_Stereo_Count	0
32048	Tautomer_Count	1
133611945	Exact_Mass	612.07668989
450	Molecular_Weight	272.4
2640	Rotatable_Bond_Count	7
9935274	Defined_Bond_Stereo_Count	0
12245073	Structure_Complexity	62.7
4060	Hydrogen_Bond_Acceptor_Count	2
46207586	Undefined_Bond_Stereo_Count	0
4597	Isotope_Atom_Count	0
7058	Defined_Atom_Stereo_Count	0
162531	Hydrogen_Bond_Donor_Count	0
84927	Tautomer_Count	1
13263	Molecular_Weight	227.33
24838350	Structure_Complexity	867
5108383	Exact_Mass	335.09397721
9961469	Exact_Mass	674.07629
59811194	TPSA	0
10219763	Hydrogen_Bond_Acceptor_Count	6
135979919	Non-hydrogen_Atom_Count	24
5489258	TPSA	0
32607	Hydrogen_Bond_Donor_Count	1
20448997	Defined_Atom_Stereo_Count	0
6619	XLogP3-AA	6.5
14117201	Hydrogen_Bond_Acceptor_Count	1
5288600	Total_Formal_Charge	0
3152	Exact_Mass	379.21474379
10926	Undefined_Bond_Stereo_Count	0
16134409	Structure_Complexity	4220
296051	Defined_Atom_Stereo_Count	0
100156	Undefined_Bond_Stereo_Count	0
10645	Defined_Atom_Stereo_Count	0
10031428	Non-hydrogen_Atom_Count	43
67972405	Molecular_Weight	111.10
2099	Covalent_Unit_Count	1
24257	Rotatable_Bond_Count	6
142119910	Exact_Mass	180.06338810
64294	Covalent_Unit_Count	1
18198	Mono_Isotopic_Weight	114.068079557
19077508	Covalent_Unit_Count	1
76285	Mono_Isotopic_Weight	459.658166
23674889	Rotatable_Bond_Count	2
76013	Defined_Bond_Stereo_Count	0
5431	Rotatable_Bond_Count	8
71300726	Non-hydrogen_Atom_Count	225
72200720	Undefined_Atom_Stereo_Count	0
219608	Covalent_Unit_Count	1
135445969	Isotope_Atom_Count	0
14753032	Mono_Isotopic_Weight	546.19369124
22061818	Mono_Isotopic_Weight	112.063662883
23652731	Non-hydrogen_Atom_Count	29
8168	TPSA	3.2
130114929	Undefined_Bond_Stereo_Count	0
44368	Non-hydrogen_Atom_Count	21
37610	Covalent_Unit_Count	1
150718	Exact_Mass	292.121177757
127030167	Exact_Mass	932.52271925
98150	Defined_Bond_Stereo_Count	0
13679	Undefined_Atom_Stereo_Count	0
70723	Hydrogen_Bond_Acceptor_Count	1
38988396	Isotope_Atom_Count	0
12259684	Defined_Bond_Stereo_Count	0
44338979	Exact_Mass	498.13168558
163050674	Hydrogen_Bond_Donor_Count	1
89651175	Defined_Bond_Stereo_Count	0
7359	Covalent_Unit_Count	1
11691484	XLogP3-AA	2.5
60155097	Defined_Bond_Stereo_Count	0
8554	Tautomer_Count	1
240230	Molecular_Weight	142.24
6741	Total_Formal_Charge	0
73513	Covalent_Unit_Count	1
13751953	Mono_Isotopic_Weight	108.032362755
163921573	Rotatable_Bond_Count	3
1222	Covalent_Unit_Count	1
44629522	Molecular_Weight	582.7
57394212	Non-hydrogen_Atom_Count	30
59871564	TPSA	56
65780	Defined_Atom_Stereo_Count	0
6686	Hydrogen_Bond_Acceptor_Count	6
6323	Tautomer_Count	1
124081896	Hydrogen_Bond_Donor_Count	0
445904	Hydrogen_Bond_Acceptor_Count	5
12746	Rotatable_Bond_Count	0
61008	Undefined_Atom_Stereo_Count	0
14049689	Defined_Bond_Stereo_Count	0
57396607	Defined_Bond_Stereo_Count	0
18730079	Isotope_Atom_Count	0
54186	Hydrogen_Bond_Acceptor_Count	4
10198397	TPSA	91.7
91984	Undefined_Atom_Stereo_Count	0
11232	Isotope_Atom_Count	0
636396	Hydrogen_Bond_Donor_Count	13
5289289	TPSA	32.3
6722	Total_Formal_Charge	0
51136438	Structure_Complexity	261
12096001	Covalent_Unit_Count	1
35841	Hydrogen_Bond_Acceptor_Count	1
11193251	Defined_Atom_Stereo_Count	0
67938294	Non-hydrogen_Atom_Count	7
141366	Structure_Complexity	166
57370827	Rotatable_Bond_Count	0
14851	Exact_Mass	142.0185425
56840877	Non-hydrogen_Atom_Count	13
7120	Hydrogen_Bond_Donor_Count	1
24479	Defined_Bond_Stereo_Count	0
8761	Undefined_Atom_Stereo_Count	0
138540	Hydrogen_Bond_Donor_Count	1
38884	Covalent_Unit_Count	1
60121	XLogP3-AA	2.9
11957517	Isotope_Atom_Count	0
41351	Molecular_Weight	397.8
14057	Structure_Complexity	89.2
23665647	Mono_Isotopic_Weight	112.02904639
86287517	Defined_Bond_Stereo_Count	0
4231972	Non-hydrogen_Atom_Count	8
31005	Structure_Complexity	439
7249	Undefined_Atom_Stereo_Count	0
6818	Hydrogen_Bond_Acceptor_Count	4
20772203	Mono_Isotopic_Weight	110.048012819
19143	TPSA	23.5
97669	Defined_Atom_Stereo_Count	0
24769	Structure_Complexity	90.2
446915	Structure_Complexity	1730
123485747	Rotatable_Bond_Count	2
31186	Undefined_Atom_Stereo_Count	0
33255	Hydrogen_Bond_Donor_Count	2
58206	XLogP3-AA	0.6
518733	Total_Formal_Charge	0
9953769	Non-hydrogen_Atom_Count	31
2006	Non-hydrogen_Atom_Count	17
92629	Undefined_Bond_Stereo_Count	0
123134032	Structure_Complexity	953
71195	Total_Formal_Charge	0
551296	Mono_Isotopic_Weight	114.104465066
154091255	Rotatable_Bond_Count	1
54180751	Structure_Complexity	85.4
17739	Non-hydrogen_Atom_Count	12
21680724	Defined_Atom_Stereo_Count	2
134158431	Hydrogen_Bond_Donor_Count	0
21075956	Defined_Atom_Stereo_Count	1
5281127	Hydrogen_Bond_Donor_Count	1
6539039	Undefined_Bond_Stereo_Count	0
5283345	Hydrogen_Bond_Acceptor_Count	1
2124	Undefined_Bond_Stereo_Count	0
3005573	Rotatable_Bond_Count	9
12116	Exact_Mass	230.07653624
10877967	Non-hydrogen_Atom_Count	11
5282175	Non-hydrogen_Atom_Count	30
139057938	Mono_Isotopic_Weight	365.1142338
19402	Exact_Mass	374.0709720
40903	Hydrogen_Bond_Donor_Count	0
23705	Undefined_Bond_Stereo_Count	0
78962	Hydrogen_Bond_Acceptor_Count	0
101771	Undefined_Bond_Stereo_Count	0
96420	Hydrogen_Bond_Donor_Count	1
27236	Defined_Bond_Stereo_Count	0
26033	Undefined_Bond_Stereo_Count	0
114812	Undefined_Atom_Stereo_Count	0
47304	Undefined_Atom_Stereo_Count	0
12532	Total_Formal_Charge	0
60359	Mono_Isotopic_Weight	449.19844227
424353	Exact_Mass	399.20457303
54328926	Defined_Bond_Stereo_Count	0
24502	Exact_Mass	293.772825
75282141	Rotatable_Bond_Count	4
75357	Hydrogen_Bond_Acceptor_Count	4
143686076	TPSA	12
486	Structure_Complexity	198
155465	Undefined_Bond_Stereo_Count	0
123347340	Covalent_Unit_Count	1
95005	Defined_Bond_Stereo_Count	0
23724526	Exact_Mass	383.10961
21246587	Undefined_Bond_Stereo_Count	0
30913	Hydrogen_Bond_Acceptor_Count	5
636398	XLogP3	4.2
11192	Hydrogen_Bond_Acceptor_Count	4
19910150	XLogP3-AA	0.5
3000579	Defined_Bond_Stereo_Count	0
13635	Covalent_Unit_Count	1
88063521	Non-hydrogen_Atom_Count	8
67184	Defined_Bond_Stereo_Count	0
61008	Defined_Atom_Stereo_Count	0
112412	Defined_Atom_Stereo_Count	0
92775	Structure_Complexity	371
10962	Rotatable_Bond_Count	2
22857281	Undefined_Atom_Stereo_Count	0
13671	Molecular_Weight	181.15
9577585	Tautomer_Count	5
162404783	Isotope_Atom_Count	0
4496	Hydrogen_Bond_Acceptor_Count	4
21578704	Exact_Mass	330.15795719
54418364	Total_Formal_Charge	0
80873	Structure_Complexity	241
7058	Undefined_Atom_Stereo_Count	0
30981	Defined_Bond_Stereo_Count	0
6438394	Isotope_Atom_Count	0
59708	Hydrogen_Bond_Donor_Count	1
18683510	Isotope_Atom_Count	0
7262	Undefined_Atom_Stereo_Count	0
5311312	Structure_Complexity	2220
1379	Defined_Bond_Stereo_Count	0
520098	Undefined_Bond_Stereo_Count	0
81146	Exact_Mass	267.08954328
21943991	Undefined_Atom_Stereo_Count	1
52950190	Defined_Bond_Stereo_Count	0
77881	Rotatable_Bond_Count	0
17182	Total_Formal_Charge	0
163050684	Covalent_Unit_Count	1
4855	Total_Formal_Charge	0
5284518	Covalent_Unit_Count	1
4454	Defined_Bond_Stereo_Count	0
5459792	TPSA	101
69695	Defined_Bond_Stereo_Count	0
57888	Hydrogen_Bond_Donor_Count	2
14656672	Mono_Isotopic_Weight	86.048012819
10473088	Undefined_Atom_Stereo_Count	0
2734687	Hydrogen_Bond_Donor_Count	4
136146352	Covalent_Unit_Count	8
216293	Exact_Mass	811.2013520
7436	Covalent_Unit_Count	1
58481202	TPSA	190
123868	Non-hydrogen_Atom_Count	10
135589409	Structure_Complexity	277
14258	Non-hydrogen_Atom_Count	19
23926	Defined_Bond_Stereo_Count	0
58516110	Structure_Complexity	685
21579161	Non-hydrogen_Atom_Count	31
7192	XLogP3	2.8
5497186	Defined_Bond_Stereo_Count	0
146158693	Undefined_Atom_Stereo_Count	4
12088	Rotatable_Bond_Count	2
71449567	Mono_Isotopic_Weight	375.19804835
61614676	Covalent_Unit_Count	1
453915	Hydrogen_Bond_Donor_Count	0
53462066	Tautomer_Count	2
8590	XLogP3-AA	3.8
90165975	Undefined_Bond_Stereo_Count	0
208	Molecular_Weight	260.14
447378	Undefined_Bond_Stereo_Count	0
94960	Tautomer_Count	12
79323706	Covalent_Unit_Count	1
57399909	Non-hydrogen_Atom_Count	32
134825522	Defined_Bond_Stereo_Count	0
66136	Total_Formal_Charge	0
5288672	Rotatable_Bond_Count	6
5894	Covalent_Unit_Count	1
448545	Structure_Complexity	834
84420187	Molecular_Weight	192.17
10920463	Defined_Bond_Stereo_Count	0
443958	Molecular_Weight	502.6
101561	Exact_Mass	120.04225873
50925625	Defined_Bond_Stereo_Count	0
15765799	Exact_Mass	110.036779430
102004571	Covalent_Unit_Count	1
11655069	Rotatable_Bond_Count	7
413519	Undefined_Bond_Stereo_Count	0
56032	Hydrogen_Bond_Donor_Count	1
89000581	Covalent_Unit_Count	1
53943526	Hydrogen_Bond_Donor_Count	1
20705517	Isotope_Atom_Count	0
71453559	Hydrogen_Bond_Acceptor_Count	5
13235324	Non-hydrogen_Atom_Count	8
53952576	Exact_Mass	96.093900383
12986478	Structure_Complexity	103
6406	Covalent_Unit_Count	1
129893980	Defined_Bond_Stereo_Count	0
10668	TPSA	59.7
535857	TPSA	46
3445	Hydrogen_Bond_Acceptor_Count	3
11462546	Non-hydrogen_Atom_Count	26
81226	Defined_Atom_Stereo_Count	0
2723949	Mono_Isotopic_Weight	75.01427034
15529	XLogP3	3.7
23668002	Total_Formal_Charge	0
25133381	Hydrogen_Bond_Acceptor_Count	5
54272	Mono_Isotopic_Weight	304.109944368
633366	Molecular_Weight	382.2
12317612	XLogP3-AA	1
129983893	Mono_Isotopic_Weight	110.048012819
87262	Total_Formal_Charge	0
8606	Total_Formal_Charge	0
22269415	Defined_Atom_Stereo_Count	0
6321405	Mono_Isotopic_Weight	154.135765193
129691409	Undefined_Atom_Stereo_Count	0
146160179	Hydrogen_Bond_Acceptor_Count	10
12304109	XLogP3	2.1
12244	XLogP3	1.1
1470718	Covalent_Unit_Count	1
70265544	Molecular_Weight	107.11
133008	Hydrogen_Bond_Acceptor_Count	3
123998	Tautomer_Count	1000
819109	XLogP3-AA	1.7
4330531	Non-hydrogen_Atom_Count	27
83639	Covalent_Unit_Count	1
67611425	XLogP3-AA	1
12704953	Covalent_Unit_Count	1
156588466	Exact_Mass	709.012063
101938021	Undefined_Atom_Stereo_Count	0
60196302	Molecular_Weight	378.5
230076	Hydrogen_Bond_Donor_Count	11
130802	Non-hydrogen_Atom_Count	13
74652204	Mono_Isotopic_Weight	500.1734795
350825	Hydrogen_Bond_Donor_Count	0
66494	Total_Formal_Charge	0
287442	TPSA	148
5311381	Exact_Mass	443.23212518
53434235	Exact_Mass	93.057849228
5343	XLogP3-AA	1.2
54676884	Undefined_Atom_Stereo_Count	2
47517	Non-hydrogen_Atom_Count	18
11423561	Rotatable_Bond_Count	0
12744661	Mono_Isotopic_Weight	83.048347172
4596	Defined_Bond_Stereo_Count	0
44283095	Rotatable_Bond_Count	2
54686187	Defined_Bond_Stereo_Count	0
134694634	Non-hydrogen_Atom_Count	44
10103132	Undefined_Bond_Stereo_Count	0
2775003	Molecular_Weight	115.13
2201	Undefined_Bond_Stereo_Count	0
3631	Defined_Atom_Stereo_Count	0
42863	Isotope_Atom_Count	0
135938	Hydrogen_Bond_Donor_Count	1
472812	Mono_Isotopic_Weight	243.0523023
23134	Defined_Atom_Stereo_Count	0
22058225	Isotope_Atom_Count	0
9548696	Molecular_Weight	52.07
66030	Structure_Complexity	182
316797	Isotope_Atom_Count	0
69437	Exact_Mass	332.156500638
137138801	Isotope_Atom_Count	0
90737888	Non-hydrogen_Atom_Count	7
45484175	Structure_Complexity	638
45807	Rotatable_Bond_Count	10
42645248	Defined_Bond_Stereo_Count	0
136159800	Exact_Mass	110.02286070
3758	Hydrogen_Bond_Donor_Count	1
5352833	Non-hydrogen_Atom_Count	8
667	Molecular_Weight	866.9
9065	Tautomer_Count	1
295763	Hydrogen_Bond_Acceptor_Count	3
4376	Hydrogen_Bond_Donor_Count	3
34755	Undefined_Bond_Stereo_Count	0
53846424	TPSA	60.7
91805	Total_Formal_Charge	0
62656	Hydrogen_Bond_Acceptor_Count	1
21071390	Rotatable_Bond_Count	9
164610	Isotope_Atom_Count	0
58084	Undefined_Bond_Stereo_Count	0
64459	Undefined_Bond_Stereo_Count	0
25222253	Molecular_Weight	231.11
135403803	Hydrogen_Bond_Donor_Count	3
4126	Undefined_Atom_Stereo_Count	4
2712	Non-hydrogen_Atom_Count	21
91895934	Hydrogen_Bond_Acceptor_Count	9
5280460	Isotope_Atom_Count	0
50897	Hydrogen_Bond_Donor_Count	0
9808	Undefined_Atom_Stereo_Count	0
10889178	Mono_Isotopic_Weight	210.0196052
85708088	Non-hydrogen_Atom_Count	8
5280353	Covalent_Unit_Count	1
91826463	XLogP3	2.5
139066803	Defined_Atom_Stereo_Count	0
9908684	Tautomer_Count	1
5360315	Rotatable_Bond_Count	0
101609	Covalent_Unit_Count	1
62816	Non-hydrogen_Atom_Count	18
273577	Defined_Bond_Stereo_Count	0
262	Undefined_Atom_Stereo_Count	2
25683	Molecular_Weight	224.32
5357258	Hydrogen_Bond_Acceptor_Count	0
194338	Rotatable_Bond_Count	4
9994296	Defined_Bond_Stereo_Count	0
9538	Mono_Isotopic_Weight	174.141993387
784	Non-hydrogen_Atom_Count	2
54006055	Undefined_Atom_Stereo_Count	0
57061642	Rotatable_Bond_Count	2
11954359	Defined_Bond_Stereo_Count	0
103439991	Defined_Bond_Stereo_Count	0
71304	Defined_Bond_Stereo_Count	0
1470	Undefined_Bond_Stereo_Count	0
2916	Total_Formal_Charge	0
6555	Molecular_Weight	137.02
75864	XLogP3-AA	1.2
147873	Non-hydrogen_Atom_Count	18
67656913	Rotatable_Bond_Count	1
3001662	Defined_Bond_Stereo_Count	0
91986	Defined_Bond_Stereo_Count	0
20590622	Hydrogen_Bond_Donor_Count	1
80622	Non-hydrogen_Atom_Count	7
69091	TPSA	46.5
10758	Tautomer_Count	1
56675694	Non-hydrogen_Atom_Count	28
139246476	Mono_Isotopic_Weight	186.013186
67528035	Structure_Complexity	52
44266486	Non-hydrogen_Atom_Count	21
2773	Non-hydrogen_Atom_Count	10
7422	Total_Formal_Charge	0
6436015	Exact_Mass	390.1234015
4224596	Mono_Isotopic_Weight	207.01159025
90488914	Undefined_Atom_Stereo_Count	2
14362	Isotope_Atom_Count	0
60688467	Defined_Atom_Stereo_Count	0
44450793	Isotope_Atom_Count	0
11525116	Structure_Complexity	692
66321	Total_Formal_Charge	0
7755	XLogP3-AA	1.6
522708	XLogP3-AA	1.6
97747	Rotatable_Bond_Count	11
59398673	Mono_Isotopic_Weight	96.021129366
614	Undefined_Bond_Stereo_Count	0
69170	Undefined_Atom_Stereo_Count	0
28852	Covalent_Unit_Count	1
130224237	Covalent_Unit_Count	1
285886	Molecular_Weight	284.3
69301023	Hydrogen_Bond_Acceptor_Count	11
54565105	Covalent_Unit_Count	1
107751	Total_Formal_Charge	0
5746414	Isotope_Atom_Count	0
13664	Non-hydrogen_Atom_Count	13
18223	Hydrogen_Bond_Donor_Count	0
57255938	Non-hydrogen_Atom_Count	8
151177	Molecular_Weight	404.5
688510	XLogP3-AA	3.1
10734	Structure_Complexity	154
66703794	Exact_Mass	171.05449518
90829771	Non-hydrogen_Atom_Count	7
12463	Hydrogen_Bond_Acceptor_Count	0
68486699	Total_Formal_Charge	0
15765	Hydrogen_Bond_Acceptor_Count	2
6914605	Rotatable_Bond_Count	6
18360	Undefined_Bond_Stereo_Count	0
14268486	Total_Formal_Charge	0
21474	Exact_Mass	230.105527694
232326	Structure_Complexity	441
76969110	Defined_Bond_Stereo_Count	7
21887872	Undefined_Bond_Stereo_Count	0
126402	Mono_Isotopic_Weight	317.19909372
25185	Total_Formal_Charge	0
14120372	Undefined_Atom_Stereo_Count	0
110373	Defined_Atom_Stereo_Count	0
12669582	XLogP3-AA	0.7
449	Defined_Bond_Stereo_Count	0
10288	XLogP3-AA	4.3
6183479	Covalent_Unit_Count	1
57445154	Rotatable_Bond_Count	2
8229	Undefined_Bond_Stereo_Count	0
32283	Hydrogen_Bond_Donor_Count	2
459140	Molecular_Weight	314.3
12754	Rotatable_Bond_Count	0
136582	Exact_Mass	100.088815002
24512	Hydrogen_Bond_Donor_Count	0
1077	Undefined_Atom_Stereo_Count	4
4552	Exact_Mass	362.04899647
12257272	Rotatable_Bond_Count	1
5495	Exact_Mass	320.11946368
9800555	Hydrogen_Bond_Donor_Count	3
580057	Rotatable_Bond_Count	2
52914006	Undefined_Atom_Stereo_Count	2
26369	Rotatable_Bond_Count	2
441407	Non-hydrogen_Atom_Count	30
2550	Rotatable_Bond_Count	3
143856	Defined_Bond_Stereo_Count	0
9920377	TPSA	41.1
15209807	Undefined_Bond_Stereo_Count	0
75987479	Defined_Atom_Stereo_Count	0
5301	Covalent_Unit_Count	1
85979	Undefined_Atom_Stereo_Count	1
67121664	Molecular_Weight	112.17
75987092	Undefined_Atom_Stereo_Count	1
95162416	Molecular_Weight	342.30
91595261	Undefined_Atom_Stereo_Count	0
95258	Covalent_Unit_Count	1
16220095	Non-hydrogen_Atom_Count	38
36054	Undefined_Atom_Stereo_Count	1
136729	XLogP3-AA	3.8
202792	Exact_Mass	212.06981089
84647615	Hydrogen_Bond_Acceptor_Count	3
333850	Non-hydrogen_Atom_Count	16
125	Hydrogen_Bond_Donor_Count	2
5479052	Rotatable_Bond_Count	9
45086609	Total_Formal_Charge	0
10343454	Mono_Isotopic_Weight	444.0910560
61259	Hydrogen_Bond_Acceptor_Count	1
1650	Undefined_Atom_Stereo_Count	3
18173271	Isotope_Atom_Count	0
23599502	Mono_Isotopic_Weight	312.12963444
88133875	Structure_Complexity	75.7
173058	Undefined_Bond_Stereo_Count	0
118972006	Molecular_Weight	107.15
88043	Rotatable_Bond_Count	1
22385729	Hydrogen_Bond_Donor_Count	2
5365773	Isotope_Atom_Count	0
135430945	Defined_Bond_Stereo_Count	0
56965681	Undefined_Bond_Stereo_Count	0
33353	Total_Formal_Charge	0
21958071	Hydrogen_Bond_Donor_Count	3
57514051	Undefined_Atom_Stereo_Count	0
921	Covalent_Unit_Count	1
16662	Undefined_Bond_Stereo_Count	0
71541190	Defined_Atom_Stereo_Count	1
25021359	Defined_Atom_Stereo_Count	2
69578	Exact_Mass	94.00303452
23080446	Mono_Isotopic_Weight	605.27458459
6628	Mono_Isotopic_Weight	214.04121336
137673	Rotatable_Bond_Count	4
57659	Mono_Isotopic_Weight	311.199762429
135444614	Hydrogen_Bond_Acceptor_Count	5
91809622	Structure_Complexity	474
227927	Undefined_Bond_Stereo_Count	0
131632305	Hydrogen_Bond_Acceptor_Count	5
745	Isotope_Atom_Count	0
29352	Covalent_Unit_Count	1
71309	Molecular_Weight	523.6
6440871	XLogP3-AA	1.6
130025208	Total_Formal_Charge	0
56438	Hydrogen_Bond_Acceptor_Count	4
56673551	Defined_Bond_Stereo_Count	0
86656004	Rotatable_Bond_Count	2
85551668	Hydrogen_Bond_Acceptor_Count	4
65373	Undefined_Atom_Stereo_Count	0
4594378	Non-hydrogen_Atom_Count	15
57395977	Structure_Complexity	570
471360	Mono_Isotopic_Weight	185.10519334
1707	Isotope_Atom_Count	0
12111	Mono_Isotopic_Weight	200.083729621
4627783	Exact_Mass	112.088815002
104607	Defined_Atom_Stereo_Count	0
194383	Hydrogen_Bond_Acceptor_Count	11
80906	Tautomer_Count	20
9547713	Molecular_Weight	114.15
2778	Undefined_Bond_Stereo_Count	0
1474853	Undefined_Bond_Stereo_Count	0
91018	Defined_Atom_Stereo_Count	0
75310475	Structure_Complexity	815
70686822	Covalent_Unit_Count	1
16007393	Isotope_Atom_Count	0
32816	Hydrogen_Bond_Donor_Count	2
53970191	Defined_Atom_Stereo_Count	0
66711	Covalent_Unit_Count	1
2032	Mono_Isotopic_Weight	334.262028332
57395613	Isotope_Atom_Count	0
14919824	Exact_Mass	114.068079557
10102486	Undefined_Bond_Stereo_Count	0
11684817	Rotatable_Bond_Count	12
29971	Covalent_Unit_Count	1
119346	Hydrogen_Bond_Acceptor_Count	1
853433	Isotope_Atom_Count	0
124085867	Structure_Complexity	779
152780129	XLogP3-AA	1.1
36559	Hydrogen_Bond_Donor_Count	0
141849	Structure_Complexity	70.4
71300392	Hydrogen_Bond_Donor_Count	0
56840904	Hydrogen_Bond_Acceptor_Count	6
71388	Non-hydrogen_Atom_Count	20
4713215	Covalent_Unit_Count	1
5922	Isotope_Atom_Count	0
222171	Total_Formal_Charge	0
914	TPSA	65.1
66261	Hydrogen_Bond_Donor_Count	0
10331863	Exact_Mass	240.10627659
9955820	Defined_Atom_Stereo_Count	0
457825	Structure_Complexity	979
56634286	Exact_Mass	113.095297364
2347	Hydrogen_Bond_Donor_Count	0
135399235	Hydrogen_Bond_Donor_Count	2
96382	Undefined_Atom_Stereo_Count	0
72566	Tautomer_Count	1
70435	Structure_Complexity	8
22099238	Non-hydrogen_Atom_Count	8
93335	Undefined_Atom_Stereo_Count	1
53773588	Undefined_Atom_Stereo_Count	0
86076207	Structure_Complexity	325
11787114	Molecular_Weight	654.7
20072023	Defined_Bond_Stereo_Count	0
19999	Structure_Complexity	34.6
616631	Exact_Mass	235.12084340
299	TPSA	17.1
18032	Hydrogen_Bond_Acceptor_Count	6
88929423	XLogP3-AA	1.5
13046623	Hydrogen_Bond_Acceptor_Count	1
17779323	Covalent_Unit_Count	1
5237030	Defined_Atom_Stereo_Count	0
6079	Undefined_Bond_Stereo_Count	0
4870	Rotatable_Bond_Count	4
78683	Molecular_Weight	116.20
6918612	Exact_Mass	305.16270821
649217	XLogP3-AA	5
99646540	Total_Formal_Charge	0
11105314	Hydrogen_Bond_Acceptor_Count	2
78431	Mono_Isotopic_Weight	239.09799996
11040632	Total_Formal_Charge	0
97383	Covalent_Unit_Count	1
18303	XLogP3-AA	0.3
61290	TPSA	26.3
657250	Non-hydrogen_Atom_Count	47
104954	TPSA	63
9993	Rotatable_Bond_Count	0
22421116	Hydrogen_Bond_Donor_Count	0
40894	Rotatable_Bond_Count	1
104955	Non-hydrogen_Atom_Count	28
13625	Structure_Complexity	160
4013	Covalent_Unit_Count	1
60155459	XLogP3-AA	1.9
517637	TPSA	52.6
141289	Rotatable_Bond_Count	3
55288256	Rotatable_Bond_Count	0
71391	Mono_Isotopic_Weight	260.05321734
44139752	Undefined_Bond_Stereo_Count	0
5288615	Non-hydrogen_Atom_Count	26
9926054	TPSA	68.2
64033	Non-hydrogen_Atom_Count	19
64727	XLogP3	3.5
138506	Structure_Complexity	266
13510025	XLogP3-AA	0
73755062	Rotatable_Bond_Count	14
59202444	Undefined_Atom_Stereo_Count	5
10176589	Isotope_Atom_Count	0
19962896	Exact_Mass	96.068748264
20056743	Non-hydrogen_Atom_Count	26
1667	Isotope_Atom_Count	0
35922	Exact_Mass	301.14780704
20782671	Non-hydrogen_Atom_Count	8
24229456	Total_Formal_Charge	0
3034372	Total_Formal_Charge	0
23663958	Rotatable_Bond_Count	4
21070	Rotatable_Bond_Count	7
48483	Defined_Bond_Stereo_Count	0
126969014	TPSA	132
6917866	Hydrogen_Bond_Acceptor_Count	4
23705	Defined_Atom_Stereo_Count	0
8784	Defined_Bond_Stereo_Count	0
13129596	Covalent_Unit_Count	1
199758	Non-hydrogen_Atom_Count	23
24858870	XLogP3-AA	3.7
228204	Molecular_Weight	250.74
1005	Exact_Mass	167.98237487
639662	Tautomer_Count	1
38141	Mono_Isotopic_Weight	371.1764402
67210	Exact_Mass	298.02258592
62881	TPSA	269
59819	Undefined_Atom_Stereo_Count	1
136419	Isotope_Atom_Count	0
22227703	Exact_Mass	466.1758310
843179	TPSA	82.8
47955	Total_Formal_Charge	0
121396	Hydrogen_Bond_Acceptor_Count	5
85826247	Exact_Mass	114.068079557
160757343	Undefined_Atom_Stereo_Count	2
2734687	Structure_Complexity	41.6
6956334	Undefined_Atom_Stereo_Count	0
66073187	Hydrogen_Bond_Acceptor_Count	2
7807	Defined_Atom_Stereo_Count	0
91102603	Total_Formal_Charge	0
564664	Hydrogen_Bond_Acceptor_Count	0
7000	Covalent_Unit_Count	1
517320	Hydrogen_Bond_Acceptor_Count	6
99338	Isotope_Atom_Count	0
91867648	Molecular_Weight	13.005739
14235	Hydrogen_Bond_Donor_Count	0
53465848	TPSA	59.2
522266	XLogP3-AA	3.1
12539503	Rotatable_Bond_Count	3
123804924	Non-hydrogen_Atom_Count	8
33786	Defined_Atom_Stereo_Count	0
6299	XLogP3	6.4
5130673	Defined_Bond_Stereo_Count	0
17891	Defined_Atom_Stereo_Count	0
13427567	Structure_Complexity	54.5
91087925	Molecular_Weight	97.16
148466782	Mono_Isotopic_Weight	113.084063974
11013485	Structure_Complexity	502
135974	Tautomer_Count	1
91664	Molecular_Weight	301.13
135403647	TPSA	221
16732454	Isotope_Atom_Count	0
2557	Defined_Atom_Stereo_Count	0
68254185	Isotope_Atom_Count	0
5361202	Structure_Complexity	798
9298	Non-hydrogen_Atom_Count	16
24635	Hydrogen_Bond_Donor_Count	0
2090	Hydrogen_Bond_Donor_Count	6
46916	Rotatable_Bond_Count	5
70280881	Structure_Complexity	241
24742076	TPSA	330
6245	Hydrogen_Bond_Donor_Count	4
946	Rotatable_Bond_Count	0
10466908	TPSA	62.2
9879368	Tautomer_Count	1
252499	TPSA	38.7
17754772	Non-hydrogen_Atom_Count	23
60878	Non-hydrogen_Atom_Count	35
78438	Isotope_Atom_Count	0
18762609	Total_Formal_Charge	0
521807	Undefined_Bond_Stereo_Count	0
16065257	Exact_Mass	428.15584919
12103	Mono_Isotopic_Weight	159.9846556
91886115	Hydrogen_Bond_Acceptor_Count	5
16130140	Isotope_Atom_Count	0
54690315	Hydrogen_Bond_Acceptor_Count	4
134731361	Hydrogen_Bond_Acceptor_Count	16
77314383	TPSA	9.2
26560	Hydrogen_Bond_Donor_Count	0
34875	Defined_Bond_Stereo_Count	0
58072202	TPSA	26.3
7410	Defined_Atom_Stereo_Count	0
20331520	Hydrogen_Bond_Donor_Count	1
11142	Rotatable_Bond_Count	1
2762830	Tautomer_Count	2
97012111	Molecular_Weight	342.30
60937	Defined_Atom_Stereo_Count	0
23677989	Molecular_Weight	751.8
23265	Isotope_Atom_Count	0
6435824	Defined_Atom_Stereo_Count	0
33728341	Isotope_Atom_Count	0
19010321	Undefined_Atom_Stereo_Count	0
11676981	Defined_Bond_Stereo_Count	0
73761	Covalent_Unit_Count	1
10031812	Molecular_Weight	620.7
2060890	Molecular_Weight	342.8
135413554	Mono_Isotopic_Weight	266.0570533
53276	Undefined_Atom_Stereo_Count	0
21501	Tautomer_Count	2
10288191	Tautomer_Count	5
14342	Mono_Isotopic_Weight	343.918158
213	Structure_Complexity	459
102234473	XLogP3-AA	1.8
11801	Non-hydrogen_Atom_Count	17
5282241	Undefined_Bond_Stereo_Count	0
16212182	Total_Formal_Charge	0
443100	Rotatable_Bond_Count	8
17652	Molecular_Weight	153.18
21517	Non-hydrogen_Atom_Count	33
77082	Mono_Isotopic_Weight	393.077760
18713388	Isotope_Atom_Count	0
56927879	Exact_Mass	1442.70951898
136502	Non-hydrogen_Atom_Count	7
10875	Defined_Bond_Stereo_Count	0
143686076	Defined_Bond_Stereo_Count	0
11417	Undefined_Bond_Stereo_Count	0
135450591	Mono_Isotopic_Weight	473.16589610
17780743	Mono_Isotopic_Weight	117.078978594
77011628	Hydrogen_Bond_Acceptor_Count	3
56036	Tautomer_Count	10
12084878	Hydrogen_Bond_Donor_Count	0
23111554	Rotatable_Bond_Count	4
528407	Covalent_Unit_Count	1
17531	Undefined_Atom_Stereo_Count	0
461279	Hydrogen_Bond_Acceptor_Count	10
27197	Covalent_Unit_Count	1
7370	Tautomer_Count	1
54581904	Undefined_Bond_Stereo_Count	0
11105318	Hydrogen_Bond_Acceptor_Count	1
76720	Defined_Bond_Stereo_Count	0
18384	TPSA	46.5
7221	Structure_Complexity	101
65677	Hydrogen_Bond_Acceptor_Count	3
4356	Hydrogen_Bond_Acceptor_Count	6
57564	Defined_Bond_Stereo_Count	0
73984	Defined_Atom_Stereo_Count	0
71545	Hydrogen_Bond_Donor_Count	0
841462	Exact_Mass	333.0390411
42373	Tautomer_Count	4
18596	Covalent_Unit_Count	2
140710	Exact_Mass	116.083729621
16412	Defined_Bond_Stereo_Count	0
9753	Defined_Bond_Stereo_Count	0
59296090	Defined_Atom_Stereo_Count	1
228864	Hydrogen_Bond_Acceptor_Count	2
5288075	XLogP3-AA	12.4
54443523	Hydrogen_Bond_Acceptor_Count	2
141225356	Exact_Mass	408.12969158
44565779	Isotope_Atom_Count	0
11960529	Exact_Mass	244.13241115
58913258	Rotatable_Bond_Count	1
6450531	Hydrogen_Bond_Donor_Count	3
17396	Undefined_Bond_Stereo_Count	0
46173017	Defined_Atom_Stereo_Count	0
10407	Exact_Mass	204.187800766
14456	TPSA	27.7
352114	Undefined_Atom_Stereo_Count	1
89138978	Molecular_Weight	102.14
15558051	Undefined_Atom_Stereo_Count	0
19878	Undefined_Atom_Stereo_Count	0
9941379	Tautomer_Count	1000
9799888	Defined_Atom_Stereo_Count	0
155292829	TPSA	365
16996	Mono_Isotopic_Weight	179.996103
5830	Exact_Mass	178.05984080
4380	TPSA	12.5
6999977	Covalent_Unit_Count	1
67547	Defined_Atom_Stereo_Count	0
21887872	Undefined_Atom_Stereo_Count	0
123400934	Mono_Isotopic_Weight	106.078250319
573470	Undefined_Atom_Stereo_Count	0
139035087	Defined_Atom_Stereo_Count	0
10149453	TPSA	107
228131	Exact_Mass	162.079312947
57734486	Exact_Mass	357.14841808
131682	Covalent_Unit_Count	1
5310969	Rotatable_Bond_Count	3
3085129	Non-hydrogen_Atom_Count	29
1238	Defined_Atom_Stereo_Count	0
84605	TPSA	38.3
137994	Covalent_Unit_Count	1
10008	Structure_Complexity	46.1
2354	Non-hydrogen_Atom_Count	21
5368010	Hydrogen_Bond_Donor_Count	0
70381	Molecular_Weight	225.28
118978207	TPSA	20.2
135522261	Covalent_Unit_Count	1
41897	Exact_Mass	211.1127773
5491906	Undefined_Bond_Stereo_Count	0
66620431	Structure_Complexity	246
25146	Rotatable_Bond_Count	8
128882	Structure_Complexity	794
734999	Non-hydrogen_Atom_Count	24
11018	Non-hydrogen_Atom_Count	25
21325775	TPSA	42.2
118008485	Mono_Isotopic_Weight	110.073164938
604519	Tautomer_Count	2
638380	TPSA	23.8
819440	Covalent_Unit_Count	1
68873	Undefined_Atom_Stereo_Count	0
139059144	XLogP3-AA	1.2
1549133	Hydrogen_Bond_Acceptor_Count	4
8862	Defined_Bond_Stereo_Count	0
5311055	Hydrogen_Bond_Acceptor_Count	3
44257207	Rotatable_Bond_Count	3
64821	Hydrogen_Bond_Acceptor_Count	2
10235	Isotope_Atom_Count	0
13707	Non-hydrogen_Atom_Count	15
54682458	Mono_Isotopic_Weight	608.17295580
11837140	Hydrogen_Bond_Donor_Count	1
3033968	Structure_Complexity	648
342238	Defined_Atom_Stereo_Count	0
67462100	Structure_Complexity	592
18387331	Non-hydrogen_Atom_Count	7
118701617	Defined_Atom_Stereo_Count	11
5459792	Molecular_Weight	132.07
14842863	Mono_Isotopic_Weight	351.15426879
57163928	Isotope_Atom_Count	0
10526	Defined_Atom_Stereo_Count	5
139592645	Covalent_Unit_Count	1
21343689	Covalent_Unit_Count	1
5624	Mono_Isotopic_Weight	520.35257467
136190013	Molecular_Weight	334.17
69851796	Covalent_Unit_Count	1
32767	Hydrogen_Bond_Acceptor_Count	1
17605	Non-hydrogen_Atom_Count	13
4100	Rotatable_Bond_Count	1
5358907	Exact_Mass	354.15795719
33786	Undefined_Atom_Stereo_Count	0
67247849	Molecular_Weight	372.4
5052860	Defined_Atom_Stereo_Count	0
72076	Non-hydrogen_Atom_Count	27
77674	Hydrogen_Bond_Acceptor_Count	1
54766	Hydrogen_Bond_Acceptor_Count	6
55283	Hydrogen_Bond_Acceptor_Count	9
5372813	Undefined_Atom_Stereo_Count	0
9985155	Hydrogen_Bond_Donor_Count	0
74361	Rotatable_Bond_Count	5
23682187	Rotatable_Bond_Count	5
56631355	Structure_Complexity	120
614	Defined_Atom_Stereo_Count	0
20770500	Rotatable_Bond_Count	1
68023	Hydrogen_Bond_Donor_Count	0
9818306	Structure_Complexity	476
39688	Isotope_Atom_Count	0
58270057	XLogP3-AA	1.7
15129	Hydrogen_Bond_Donor_Count	1
3591	Tautomer_Count	8
94381	Molecular_Weight	333.4
55300572	Structure_Complexity	126
29124	Structure_Complexity	219
1346	TPSA	24.5
94647	TPSA	12.9
124224931	XLogP3-AA	2.1
53763878	Undefined_Atom_Stereo_Count	0
11355992	Covalent_Unit_Count	1
11332503	Non-hydrogen_Atom_Count	10
14388239	Rotatable_Bond_Count	1
131704205	Structure_Complexity	302
76589	TPSA	55.8
53240376	Mono_Isotopic_Weight	726.07603
25246316	XLogP3-AA	7.5
71587119	TPSA	424
9812772	Non-hydrogen_Atom_Count	8
18360	Defined_Atom_Stereo_Count	0
124723	Non-hydrogen_Atom_Count	9
88553883	Undefined_Bond_Stereo_Count	0
5360696	Molecular_Weight	271.4
12801	Structure_Complexity	222
7879	Rotatable_Bond_Count	34
40467109	Molecular_Weight	349.4
171296	Exact_Mass	291.1138399
571	Mono_Isotopic_Weight	307.09120050
73889	Mono_Isotopic_Weight	285.06122053
101561	Covalent_Unit_Count	1
12200971	Mono_Isotopic_Weight	117.078978594
9254	Hydrogen_Bond_Acceptor_Count	2
15981386	Undefined_Atom_Stereo_Count	0
136738541	Non-hydrogen_Atom_Count	80
54059092	Rotatable_Bond_Count	0
70141017	XLogP3-AA	1.7
117274708	Exact_Mass	111.032028402
7928	Isotope_Atom_Count	0
2042	Defined_Bond_Stereo_Count	0
636345	Exact_Mass	880.1479789
5801	Hydrogen_Bond_Acceptor_Count	2
24963	Covalent_Unit_Count	3
17884104	Isotope_Atom_Count	0
32816	Structure_Complexity	144
545127	Covalent_Unit_Count	1
93205	Covalent_Unit_Count	1
9918978	Defined_Atom_Stereo_Count	7
53935056	Exact_Mass	102.115698455
68089	Tautomer_Count	3
147633433	Hydrogen_Bond_Acceptor_Count	4
44560574	Mono_Isotopic_Weight	422.10824754
85694	Covalent_Unit_Count	1
11650	TPSA	209
67108207	Molecular_Weight	316.82
17929084	Undefined_Atom_Stereo_Count	0
86751	Undefined_Bond_Stereo_Count	0
25171648	Hydrogen_Bond_Donor_Count	0
3971	Exact_Mass	306.136827821
5360696	Defined_Bond_Stereo_Count	0
2092	Hydrogen_Bond_Acceptor_Count	8
44310946	Undefined_Atom_Stereo_Count	0
439739	Molecular_Weight	346.5
22125	Rotatable_Bond_Count	0
12672	Non-hydrogen_Atom_Count	6
2758873	TPSA	8.8
54184524	Hydrogen_Bond_Acceptor_Count	2
45358975	Defined_Bond_Stereo_Count	0
75821	Total_Formal_Charge	0
138579	Defined_Atom_Stereo_Count	0
82336	Defined_Atom_Stereo_Count	0
12244237	Exact_Mass	77.97755048
25164075	Mono_Isotopic_Weight	382.02932852
8995	Hydrogen_Bond_Donor_Count	0
60209583	Exact_Mass	380.17360725
533848	Undefined_Atom_Stereo_Count	0
17239	Covalent_Unit_Count	1
11493841	Covalent_Unit_Count	1
46174070	Undefined_Bond_Stereo_Count	0
49937	Hydrogen_Bond_Donor_Count	1
9957535	TPSA	79.9
69086581	TPSA	31
12594	Isotope_Atom_Count	0
13590	Covalent_Unit_Count	1
3849	XLogP3-AA	5.9
258383	Defined_Bond_Stereo_Count	0
45375806	Defined_Bond_Stereo_Count	0
71450704	XLogP3-AA	2
14585707	Undefined_Atom_Stereo_Count	3
6922967	XLogP3	0.9
11908450	Total_Formal_Charge	0
135398501	Exact_Mass	551.24335857
12741658	Exact_Mass	100.052429494
9047	Non-hydrogen_Atom_Count	19
11007859	Defined_Atom_Stereo_Count	0
135476260	Non-hydrogen_Atom_Count	32
30781	Total_Formal_Charge	0
7756	Covalent_Unit_Count	1
456255	Structure_Complexity	777
23662264	Hydrogen_Bond_Acceptor_Count	1
151193	Molecular_Weight	464.9
9298	Total_Formal_Charge	0
23646072	Mono_Isotopic_Weight	515.22810243
6549	Undefined_Atom_Stereo_Count	1
24530	Undefined_Atom_Stereo_Count	0
90761	Hydrogen_Bond_Donor_Count	0
62108	Non-hydrogen_Atom_Count	32
70693263	Mono_Isotopic_Weight	501.1680007
6652	Molecular_Weight	204.31
151205	Total_Formal_Charge	0
94381	Covalent_Unit_Count	1
6421522	Mono_Isotopic_Weight	216.126263138
135814155	Undefined_Bond_Stereo_Count	0
10290734	Isotope_Atom_Count	0
129866213	Covalent_Unit_Count	1
2075	Undefined_Bond_Stereo_Count	0
57280823	Molecular_Weight	115.16
12316	Defined_Atom_Stereo_Count	0
10199016	Hydrogen_Bond_Donor_Count	3
124201874	Isotope_Atom_Count	0
79067	Undefined_Bond_Stereo_Count	0
55288429	Hydrogen_Bond_Donor_Count	1
693050	Defined_Atom_Stereo_Count	1
27826	Undefined_Bond_Stereo_Count	0
136585	Hydrogen_Bond_Acceptor_Count	0
9847	Total_Formal_Charge	0
43962	Undefined_Atom_Stereo_Count	0
10493936	Isotope_Atom_Count	0
16950	Molecular_Weight	290.27
33958	Hydrogen_Bond_Donor_Count	2
9839190	Exact_Mass	297.147726857
118990144	Exact_Mass	97.052763847
2968	Total_Formal_Charge	2
57400316	XLogP3	1.9
7285	Hydrogen_Bond_Donor_Count	0
53803	Tautomer_Count	1
20561708	TPSA	47.8
4128060	Defined_Bond_Stereo_Count	0
7530	TPSA	9.2
10892	Hydrogen_Bond_Acceptor_Count	2
118183199	Hydrogen_Bond_Acceptor_Count	2
4159	Exact_Mass	374.20932405
10379137	Total_Formal_Charge	0
67303	Non-hydrogen_Atom_Count	16
7405	Defined_Bond_Stereo_Count	0
71384614	TPSA	66.8
51556	Mono_Isotopic_Weight	437.9900194
46900403	Structure_Complexity	468
73183709	Hydrogen_Bond_Donor_Count	1
163628725	Undefined_Bond_Stereo_Count	0
260708	Defined_Atom_Stereo_Count	0
31903	Undefined_Bond_Stereo_Count	0
72545257	Molecular_Weight	468.2
18787571	TPSA	25.8
15093812	Undefined_Bond_Stereo_Count	0
5282386	TPSA	24.4
9834129	Undefined_Atom_Stereo_Count	1
13389	Mono_Isotopic_Weight	107.037113783
2082	Non-hydrogen_Atom_Count	18
71584166	Undefined_Atom_Stereo_Count	0
162883449	Defined_Atom_Stereo_Count	16
5994	Covalent_Unit_Count	1
2863	Undefined_Atom_Stereo_Count	6
69238	Hydrogen_Bond_Acceptor_Count	3
56658436	Non-hydrogen_Atom_Count	25
443869	TPSA	114
61083	Structure_Complexity	93.9
11783	Undefined_Atom_Stereo_Count	0
64040	Undefined_Atom_Stereo_Count	0
54427	Mono_Isotopic_Weight	263.105862047
13438404	XLogP3-AA	0.2
616642	Defined_Bond_Stereo_Count	0
14535399	Undefined_Atom_Stereo_Count	1
68552	Undefined_Bond_Stereo_Count	0
11243457	Defined_Bond_Stereo_Count	0
102428	Hydrogen_Bond_Acceptor_Count	4
11405875	Hydrogen_Bond_Donor_Count	1
11029769	Hydrogen_Bond_Acceptor_Count	1
14453671	Hydrogen_Bond_Acceptor_Count	1
3955344	Hydrogen_Bond_Donor_Count	2
10336	Rotatable_Bond_Count	1
4136521	Total_Formal_Charge	0
4356	Rotatable_Bond_Count	10
3050432	XLogP3-AA	2.9
141478347	Rotatable_Bond_Count	1
4173327	Covalent_Unit_Count	1
122074	Rotatable_Bond_Count	0
71449007	Mono_Isotopic_Weight	1914.8077146
21327	TPSA	67.6
83478502	Hydrogen_Bond_Acceptor_Count	3
23616857	Defined_Bond_Stereo_Count	0
3032732	Undefined_Bond_Stereo_Count	0
1155	Covalent_Unit_Count	1
12563	TPSA	0
5363527	Total_Formal_Charge	0
17787271	Structure_Complexity	135
135484549	Isotope_Atom_Count	0
6992032	Non-hydrogen_Atom_Count	21
8863	Hydrogen_Bond_Acceptor_Count	3
102552746	Undefined_Atom_Stereo_Count	1
159739	Covalent_Unit_Count	5
123556697	Total_Formal_Charge	0
406870	Isotope_Atom_Count	0
45266908	Rotatable_Bond_Count	9
89103941	Undefined_Bond_Stereo_Count	0
168381	Undefined_Atom_Stereo_Count	0
92163	TPSA	41.1
11081093	Isotope_Atom_Count	0
68216	Undefined_Bond_Stereo_Count	0
46897877	Hydrogen_Bond_Donor_Count	5
54066875	Structure_Complexity	110
46841787	Molecular_Weight	531.9
4302960	XLogP3-AA	4.8
1633595	Rotatable_Bond_Count	0
70144	Mono_Isotopic_Weight	164.047344113
134695341	Non-hydrogen_Atom_Count	55
125556	Tautomer_Count	4
70697507	Structure_Complexity	516
2724368	Non-hydrogen_Atom_Count	12
129627386	Molecular_Weight	447.4
18615953	Molecular_Weight	116.12
62731702	Exact_Mass	112.063662883
69332716	Undefined_Bond_Stereo_Count	0
11953931	Undefined_Bond_Stereo_Count	0
80873	Undefined_Atom_Stereo_Count	0
62858	Defined_Atom_Stereo_Count	2
98850	Isotope_Atom_Count	0
7121	Molecular_Weight	182.17
6159	Exact_Mass	317.21549268
6058	Structure_Complexity	10
57202979	Undefined_Bond_Stereo_Count	0
23691021	Isotope_Atom_Count	0
11528337	XLogP3-AA	0.7
17907603	TPSA	37.3
14927	Undefined_Bond_Stereo_Count	0
22719613	Defined_Atom_Stereo_Count	0
5379102	TPSA	29.1
11768526	Rotatable_Bond_Count	3
27145	Hydrogen_Bond_Donor_Count	1
56972049	Hydrogen_Bond_Donor_Count	3
19494	Structure_Complexity	84.1
93055	Hydrogen_Bond_Donor_Count	2
1469	Rotatable_Bond_Count	15
5311032	Rotatable_Bond_Count	14
23655	Exact_Mass	311.2015923
14147082	Non-hydrogen_Atom_Count	8
12082259	Covalent_Unit_Count	1
72070	Defined_Bond_Stereo_Count	0
833992	Undefined_Bond_Stereo_Count	0
27435	TPSA	47.9
5365976	Rotatable_Bond_Count	5
11504295	Tautomer_Count	15
12444299	TPSA	144
138304	Hydrogen_Bond_Acceptor_Count	0
10558590	Mono_Isotopic_Weight	113.084063974
139488	TPSA	17.1
8657	Defined_Atom_Stereo_Count	0
1281	Defined_Bond_Stereo_Count	0
23164725	Total_Formal_Charge	0
64139	Exact_Mass	315.0273907
20782671	TPSA	9.2
99271	XLogP3-AA	1.9
89789591	Undefined_Bond_Stereo_Count	0
13460	Defined_Bond_Stereo_Count	0
658	Total_Formal_Charge	0
7996	Molecular_Weight	104.15
79076	Hydrogen_Bond_Acceptor_Count	7
23283041	Hydrogen_Bond_Donor_Count	0
139584807	Undefined_Atom_Stereo_Count	0
20791685	Isotope_Atom_Count	0
76049	Undefined_Bond_Stereo_Count	1
2737168	Structure_Complexity	115
12519677	Molecular_Weight	111.14
24848413	Exact_Mass	1072.15680793
25203153	Non-hydrogen_Atom_Count	7
6431301	Defined_Atom_Stereo_Count	2
9306	Total_Formal_Charge	0
2973198	Undefined_Atom_Stereo_Count	2
12763	Hydrogen_Bond_Donor_Count	0
9839190	Isotope_Atom_Count	0
71306319	TPSA	452
155817681	Rotatable_Bond_Count	1
75284	Defined_Bond_Stereo_Count	0
19601937	XLogP3-AA	14.6
3036824	Structure_Complexity	1740
71512	Molecular_Weight	484.16
14074	Hydrogen_Bond_Donor_Count	1
68745835	Hydrogen_Bond_Acceptor_Count	1
3055	Non-hydrogen_Atom_Count	23
142852216	TPSA	29.5
1549992	Molecular_Weight	222.37
141344	Exact_Mass	84.057514874
19425	Covalent_Unit_Count	1
50937	Total_Formal_Charge	0
2737136	Undefined_Atom_Stereo_Count	0
8354	TPSA	57.6
1174	Isotope_Atom_Count	0
21354474	Hydrogen_Bond_Acceptor_Count	2
6791	Undefined_Bond_Stereo_Count	0
13317841	TPSA	37.3
123888456	Defined_Atom_Stereo_Count	0
2723856	Molecular_Weight	89.14
2734117	Molecular_Weight	546.8
5107724	Structure_Complexity	206
66684386	Hydrogen_Bond_Donor_Count	1
20544	TPSA	42.4
85760873	Non-hydrogen_Atom_Count	7
219101	Covalent_Unit_Count	1
7020	Defined_Atom_Stereo_Count	0
142647132	Mono_Isotopic_Weight	115.063328530
123611214	Covalent_Unit_Count	1
160312	Defined_Bond_Stereo_Count	0
6599	Molecular_Weight	121.23
68928	Isotope_Atom_Count	0
58561829	Total_Formal_Charge	0
10219373	Isotope_Atom_Count	0
17804394	Structure_Complexity	76.8
172997	TPSA	54.3
145751	Undefined_Atom_Stereo_Count	1
4121	Rotatable_Bond_Count	2
17841522	Undefined_Bond_Stereo_Count	0
245005	XLogP3-AA	0.3
163317	Molecular_Weight	218.25
21908889	Rotatable_Bond_Count	3
146474223	TPSA	27.7
10328	Mono_Isotopic_Weight	119.073499291
4104621	Hydrogen_Bond_Acceptor_Count	4
590596	Undefined_Bond_Stereo_Count	0
23665730	Undefined_Bond_Stereo_Count	0
21772	Covalent_Unit_Count	1
402035	Non-hydrogen_Atom_Count	32
10289038	Isotope_Atom_Count	0
6356	Mono_Isotopic_Weight	68.0045147
11655511	Defined_Bond_Stereo_Count	0
9984487	Defined_Atom_Stereo_Count	0
548185	Mono_Isotopic_Weight	139.03031432
162955685	Hydrogen_Bond_Acceptor_Count	11
6473876	Molecular_Weight	1202.6
21580808	Structure_Complexity	330
82161	Isotope_Atom_Count	0
89770232	Non-hydrogen_Atom_Count	23
11314197	Isotope_Atom_Count	0
3104	TPSA	270
3035668	Rotatable_Bond_Count	1
4435	Molecular_Weight	406.6
1479277	Defined_Bond_Stereo_Count	0
87074	Structure_Complexity	123
16052011	Non-hydrogen_Atom_Count	95
6474320	Total_Formal_Charge	0
54265485	XLogP3-AA	0.8
11497836	Defined_Bond_Stereo_Count	0
11469158	Undefined_Atom_Stereo_Count	0
5361463	Hydrogen_Bond_Acceptor_Count	3
122130476	Undefined_Bond_Stereo_Count	0
2734678	Hydrogen_Bond_Acceptor_Count	5
3068367	Defined_Bond_Stereo_Count	0
3646	Undefined_Atom_Stereo_Count	0
21895922	Undefined_Atom_Stereo_Count	2
8032	Mono_Isotopic_Weight	189.96058025
11240433	Mono_Isotopic_Weight	96.068748264
65125	Mono_Isotopic_Weight	112.03851076
9952193	Rotatable_Bond_Count	6
101942760	Non-hydrogen_Atom_Count	17
5281888	Isotope_Atom_Count	0
77533	Undefined_Bond_Stereo_Count	0
10355488	Structure_Complexity	500
54739048	Rotatable_Bond_Count	3
36795	TPSA	30.5
5327067	Total_Formal_Charge	0
78361	Undefined_Atom_Stereo_Count	0
6145	XLogP3	0.8
6102790	Hydrogen_Bond_Acceptor_Count	6
146743267	Defined_Atom_Stereo_Count	0
9547215	Exact_Mass	386.24570956
125286696	Covalent_Unit_Count	1
62751	Undefined_Atom_Stereo_Count	0
12719155	Undefined_Bond_Stereo_Count	0
10510817	Hydrogen_Bond_Acceptor_Count	2
24737670	Structure_Complexity	529
5527	Non-hydrogen_Atom_Count	24
16490	Isotope_Atom_Count	0
69089	XLogP3-AA	1.9
123071	Hydrogen_Bond_Acceptor_Count	4
443872	Total_Formal_Charge	0
21145	TPSA	0
138024	Mono_Isotopic_Weight	106.078250319
439935	Undefined_Atom_Stereo_Count	0
72199540	Rotatable_Bond_Count	15
694052	TPSA	111
77	Structure_Complexity	198
6885	Non-hydrogen_Atom_Count	10
9826528	Rotatable_Bond_Count	7
129815740	Undefined_Bond_Stereo_Count	0
61100	Molecular_Weight	234.28
6429	Defined_Atom_Stereo_Count	0
9578570	Rotatable_Bond_Count	8
6917738	Non-hydrogen_Atom_Count	49
102492967	Non-hydrogen_Atom_Count	30
25203894	Mono_Isotopic_Weight	682.11214
1745	Structure_Complexity	57.7
7503	Undefined_Bond_Stereo_Count	0
11198850	Exact_Mass	348.115029749
2659	Undefined_Atom_Stereo_Count	2
6399027	Exact_Mass	115.026943022
60152109	TPSA	95.1
92135969	Molecular_Weight	555.7
71730	Covalent_Unit_Count	1
6434253	Structure_Complexity	688
5353510	Hydrogen_Bond_Acceptor_Count	10
2098	Defined_Atom_Stereo_Count	0
14679813	Structure_Complexity	1040
139292184	Defined_Bond_Stereo_Count	0
12294	Undefined_Bond_Stereo_Count	0
69946325	Isotope_Atom_Count	0
54188406	Defined_Bond_Stereo_Count	0
140996483	Undefined_Atom_Stereo_Count	1
9107	Non-hydrogen_Atom_Count	24
46926350	Molecular_Weight	396.5
612687	Mono_Isotopic_Weight	218.03275668
6999977	Defined_Atom_Stereo_Count	1
14660056	Molecular_Weight	102.13
133676174	TPSA	20.2
395450	Mono_Isotopic_Weight	397.14492710
60155182	Hydrogen_Bond_Donor_Count	0
13463260	Isotope_Atom_Count	0
19431	TPSA	209
12757499	Total_Formal_Charge	0
54063398	Non-hydrogen_Atom_Count	7
152031	Undefined_Bond_Stereo_Count	0
101010	Defined_Atom_Stereo_Count	0
853863	Total_Formal_Charge	0
17613	Total_Formal_Charge	0
798232	Non-hydrogen_Atom_Count	24
59713	Exact_Mass	332.225248902
134990043	Non-hydrogen_Atom_Count	7
11194	Structure_Complexity	49.2
5284371	Rotatable_Bond_Count	1
197148	Undefined_Atom_Stereo_Count	0
4832	Undefined_Atom_Stereo_Count	2
93050	Molecular_Weight	112.17
18719	Covalent_Unit_Count	1
90936519	Non-hydrogen_Atom_Count	85
60154326	Non-hydrogen_Atom_Count	24
68356363	Covalent_Unit_Count	1
123322483	Non-hydrogen_Atom_Count	7
28118	Covalent_Unit_Count	2
522007	Mono_Isotopic_Weight	102.104465066
10071747	Non-hydrogen_Atom_Count	31
12116	Hydrogen_Bond_Acceptor_Count	2
95433	Defined_Bond_Stereo_Count	0
65280	Covalent_Unit_Count	1
83465	Molecular_Weight	221.17
53818193	Covalent_Unit_Count	1
60196348	Hydrogen_Bond_Donor_Count	1
5287779	Total_Formal_Charge	0
62436	Hydrogen_Bond_Acceptor_Count	1
5742590	Total_Formal_Charge	0
5462077	Isotope_Atom_Count	0
23644194	Mono_Isotopic_Weight	730.46291296
25181472	Total_Formal_Charge	0
168088	Structure_Complexity	442
67505	XLogP3-AA	1.9
160889158	Total_Formal_Charge	0
82050	Non-hydrogen_Atom_Count	2
92763	Molecular_Weight	547.5
3357	Undefined_Bond_Stereo_Count	0
11712071	Non-hydrogen_Atom_Count	32
153665501	Molecular_Weight	108.18
737	Hydrogen_Bond_Donor_Count	7
21118222	Defined_Atom_Stereo_Count	1
11865407	Undefined_Bond_Stereo_Count	0
17155	Defined_Bond_Stereo_Count	0
13240378	Exact_Mass	150.128274515
13927379	Undefined_Bond_Stereo_Count	0
141828087	Covalent_Unit_Count	1
441411	Total_Formal_Charge	0
137228068	Isotope_Atom_Count	0
273577	Exact_Mass	248.131348519
3715	Defined_Bond_Stereo_Count	0
71267	Undefined_Atom_Stereo_Count	0
164886662	Isotope_Atom_Count	0
51003661	Total_Formal_Charge	0
9912771	Defined_Bond_Stereo_Count	0
16682746	Defined_Bond_Stereo_Count	0
2811261	Isotope_Atom_Count	0
76168	Exact_Mass	318.0326684
78225435	Isotope_Atom_Count	0
90487295	Defined_Atom_Stereo_Count	0
3641960	Rotatable_Bond_Count	1
66412	Rotatable_Bond_Count	1
444314	Total_Formal_Charge	0
5470	XLogP3-AA	2.4
83648	Rotatable_Bond_Count	4
49869877	Structure_Complexity	683
18947655	Defined_Bond_Stereo_Count	0
16741245	Defined_Bond_Stereo_Count	0
4354	Exact_Mass	260.94017
97536	Undefined_Atom_Stereo_Count	0
83086	Hydrogen_Bond_Acceptor_Count	2
19755826	TPSA	29.1
60182	Isotope_Atom_Count	0
7608	Hydrogen_Bond_Donor_Count	1
90488948	XLogP3-AA	1.9
700865	Hydrogen_Bond_Donor_Count	0
157692	Defined_Bond_Stereo_Count	0
15765799	TPSA	34.1
101254315	Undefined_Atom_Stereo_Count	0
86764	Exact_Mass	202.12050905
13081	Isotope_Atom_Count	0
4816	Undefined_Atom_Stereo_Count	8
156963389	Hydrogen_Bond_Donor_Count	25
9282	Total_Formal_Charge	2
289539	Mono_Isotopic_Weight	113.047678466
22889103	Isotope_Atom_Count	0
139020	Covalent_Unit_Count	1
45484851	Molecular_Weight	419.7
13804280	Structure_Complexity	86.1
21490219	Rotatable_Bond_Count	1
69512	Defined_Atom_Stereo_Count	0
90703052	Hydrogen_Bond_Donor_Count	0
20387237	Structure_Complexity	62.6
25079425	Tautomer_Count	996
9639	Structure_Complexity	319
20907	Hydrogen_Bond_Donor_Count	3
22188	Undefined_Bond_Stereo_Count	0
137018	Tautomer_Count	1
2412	Non-hydrogen_Atom_Count	98
11587584	TPSA	71.6
74229	Molecular_Weight	193.24
25142042	Defined_Atom_Stereo_Count	2
8706	XLogP3	1.9
46224600	Hydrogen_Bond_Donor_Count	18
69111	Covalent_Unit_Count	1
439224	Mono_Isotopic_Weight	226.10659032
17948845	TPSA	72.2
18314545	Exact_Mass	101.047678466
38876	Hydrogen_Bond_Acceptor_Count	0
1393	Isotope_Atom_Count	0
90957	Mono_Isotopic_Weight	716.13357
73182	Non-hydrogen_Atom_Count	11
11731903	Tautomer_Count	1
70301	Undefined_Bond_Stereo_Count	0
66908038	Undefined_Atom_Stereo_Count	3
23692128	Hydrogen_Bond_Donor_Count	3
100930	Exact_Mass	140.04081944
134826704	Defined_Bond_Stereo_Count	0
54106053	Total_Formal_Charge	0
7567	Hydrogen_Bond_Donor_Count	0
65859	Defined_Bond_Stereo_Count	0
67278	Hydrogen_Bond_Donor_Count	1
10964456	Structure_Complexity	103
11334	Exact_Mass	161.9639201
69061828	Undefined_Bond_Stereo_Count	0
77781	Covalent_Unit_Count	1
61627	Structure_Complexity	122
5273472	Isotope_Atom_Count	0
82505	Defined_Atom_Stereo_Count	0
21411162	Total_Formal_Charge	0
5371993	Undefined_Atom_Stereo_Count	6
489	Defined_Atom_Stereo_Count	0
158221895	Mono_Isotopic_Weight	95.037113783
6277	Isotope_Atom_Count	0
8219	Total_Formal_Charge	0
447407	Defined_Bond_Stereo_Count	0
14527402	Non-hydrogen_Atom_Count	8
145255275	Hydrogen_Bond_Acceptor_Count	1
101798	Defined_Atom_Stereo_Count	5
53870064	Defined_Bond_Stereo_Count	0
21883050	Isotope_Atom_Count	0
70233	Isotope_Atom_Count	0
6850813	Exact_Mass	255.162314293
39897	Covalent_Unit_Count	2
135564773	XLogP3-AA	5.3
14825	Covalent_Unit_Count	3
121249	XLogP3	4.5
58528	Hydrogen_Bond_Donor_Count	1
24743471	Rotatable_Bond_Count	3
14344952	Undefined_Bond_Stereo_Count	0
53997645	Rotatable_Bond_Count	2
44409094	Structure_Complexity	519
20056430	Defined_Atom_Stereo_Count	0
12040509	Structure_Complexity	533
11789162	Structure_Complexity	116
91285707	Non-hydrogen_Atom_Count	7
15826366	Undefined_Bond_Stereo_Count	0
7163	XLogP3-AA	6.8
1223	Total_Formal_Charge	0
546902	Isotope_Atom_Count	0
46835725	Exact_Mass	87.068413911
88257494	Mono_Isotopic_Weight	112.063662883
353481	Hydrogen_Bond_Donor_Count	8
2188	Undefined_Bond_Stereo_Count	0
14189996	Mono_Isotopic_Weight	232.0654927
71474517	Undefined_Atom_Stereo_Count	0
46214236	Defined_Bond_Stereo_Count	0
70215286	Undefined_Atom_Stereo_Count	2
13465027	Total_Formal_Charge	0
10160238	Isotope_Atom_Count	0
98341	Tautomer_Count	4
1805	Tautomer_Count	3
93009	XLogP3	3.3
10824	Undefined_Bond_Stereo_Count	0
3083540	Hydrogen_Bond_Acceptor_Count	3
8377	Non-hydrogen_Atom_Count	16
70884982	Mono_Isotopic_Weight	342.11621151
13770	Mono_Isotopic_Weight	323.1440774
5280784	Covalent_Unit_Count	1
165339206	Undefined_Atom_Stereo_Count	0
45085022	Hydrogen_Bond_Donor_Count	1
1502	Total_Formal_Charge	1
6915836	Hydrogen_Bond_Acceptor_Count	9
11949597	TPSA	69.4
7868	Defined_Bond_Stereo_Count	0
151104	Exact_Mass	232.03480437
3032282	Mono_Isotopic_Weight	734.56998054
12387212	Molecular_Weight	104.10
40826	Undefined_Atom_Stereo_Count	1
9877	Structure_Complexity	76.9
129814671	Mono_Isotopic_Weight	137.03892530
11337	Undefined_Atom_Stereo_Count	4
179336	Defined_Bond_Stereo_Count	0
59874134	TPSA	20.2
11077530	Molecular_Weight	303.14
12872199	Exact_Mass	112.052429494
509147	Structure_Complexity	322
33721	Exact_Mass	99.068413911
137076	Molecular_Weight	109.17
5365585	Molecular_Weight	248.4
12201322	Covalent_Unit_Count	2
13134	Molecular_Weight	126.05
87900	Defined_Bond_Stereo_Count	0
12814872	Defined_Atom_Stereo_Count	7
22082840	Covalent_Unit_Count	1
55091	Structure_Complexity	123
12256	Total_Formal_Charge	0
3053	Hydrogen_Bond_Acceptor_Count	13
60196319	Defined_Atom_Stereo_Count	1
91819969	Mono_Isotopic_Weight	923.48784986
57927934	Hydrogen_Bond_Donor_Count	2
13593925	Isotope_Atom_Count	0
134688930	Rotatable_Bond_Count	1
44410959	Structure_Complexity	617
89789591	Undefined_Atom_Stereo_Count	0
71153	Structure_Complexity	370
3463	TPSA	46.5
10290744	Undefined_Bond_Stereo_Count	0
130443213	Undefined_Atom_Stereo_Count	0
51629	Hydrogen_Bond_Acceptor_Count	3
5311053	Undefined_Atom_Stereo_Count	0
5599	Non-hydrogen_Atom_Count	15
403829	Defined_Bond_Stereo_Count	0
62016	Rotatable_Bond_Count	14
156963402	Exact_Mass	838.29831089
20055515	Defined_Atom_Stereo_Count	18
5748846	Molecular_Weight	523.6
98648	Tautomer_Count	1
19905962	Molecular_Weight	114.14
18008584	Exact_Mass	99.104799419
22508510	Non-hydrogen_Atom_Count	8
3036931	Total_Formal_Charge	0
163321054	Exact_Mass	1325.35377640
22542	Covalent_Unit_Count	1
83	Molecular_Weight	152.04
170327	TPSA	28.2
557737	TPSA	18.5
6477186	Defined_Atom_Stereo_Count	1
10044	Isotope_Atom_Count	0
135300	Structure_Complexity	0
15365	Isotope_Atom_Count	0
6917662	Mono_Isotopic_Weight	283.1702921
14923690	Undefined_Bond_Stereo_Count	0
74534	Isotope_Atom_Count	0
17235	Exact_Mass	310.287180451
23238	Mono_Isotopic_Weight	88.088815002
68868	Covalent_Unit_Count	1
4454	Rotatable_Bond_Count	9
55263	Molecular_Weight	217.22
489129	Exact_Mass	348.17616766
44392137	Exact_Mass	530.26031425
57401684	Isotope_Atom_Count	0
9043	Undefined_Bond_Stereo_Count	0
138322	Hydrogen_Bond_Donor_Count	0
24884773	Isotope_Atom_Count	0
67058	Defined_Atom_Stereo_Count	0
23668817	Tautomer_Count	1
44483163	Covalent_Unit_Count	1
54369	Covalent_Unit_Count	1
54378536	TPSA	0
160280695	Hydrogen_Bond_Donor_Count	0
10104496	Hydrogen_Bond_Acceptor_Count	4
72860	Defined_Bond_Stereo_Count	0
46224572	Structure_Complexity	482
147304866	Covalent_Unit_Count	1
12479	Undefined_Atom_Stereo_Count	0
798232	Undefined_Bond_Stereo_Count	0
67849	Covalent_Unit_Count	1
13042689	Mono_Isotopic_Weight	112.088815002
519514	TPSA	12.5
10034603	Tautomer_Count	1
129885959	Covalent_Unit_Count	1
284024	Isotope_Atom_Count	0
8482	Total_Formal_Charge	0
7579	Total_Formal_Charge	0
153400963	Molecular_Weight	98.14
12285877	Tautomer_Count	1
2282	Hydrogen_Bond_Acceptor_Count	9
9799246	Hydrogen_Bond_Donor_Count	0
592645	Covalent_Unit_Count	1
21721513	Structure_Complexity	147
1097	Total_Formal_Charge	0
189031	Isotope_Atom_Count	0
15561851	TPSA	23.8
135398655	Molecular_Weight	589.3
10079	Molecular_Weight	467.0
86590530	Hydrogen_Bond_Donor_Count	0
8058	Mono_Isotopic_Weight	86.109550447
6917839	Hydrogen_Bond_Donor_Count	2
5319249	Isotope_Atom_Count	0
774	TPSA	54.7
40468194	Undefined_Bond_Stereo_Count	0
5284553	Hydrogen_Bond_Acceptor_Count	12
3052772	Covalent_Unit_Count	1
15798651	Hydrogen_Bond_Donor_Count	0
19089767	Undefined_Bond_Stereo_Count	0
18353957	Mono_Isotopic_Weight	111.068413911
60966	Hydrogen_Bond_Acceptor_Count	1
12315	Covalent_Unit_Count	1
24973796	Total_Formal_Charge	0
572516	Mono_Isotopic_Weight	108.068748264
85912645	Exact_Mass	98.036779430
108147	Tautomer_Count	96
100156	Molecular_Weight	346.29
5277135	XLogP3-AA	5.3
534471	Hydrogen_Bond_Acceptor_Count	2
53856717	Molecular_Weight	99.13
543855	Hydrogen_Bond_Acceptor_Count	2
145754	Hydrogen_Bond_Donor_Count	3
71323	Defined_Bond_Stereo_Count	0
64992139	Total_Formal_Charge	0
36667	Hydrogen_Bond_Acceptor_Count	1
2943	Undefined_Atom_Stereo_Count	0
66587385	Non-hydrogen_Atom_Count	7
49869035	Defined_Bond_Stereo_Count	0
29352	Mono_Isotopic_Weight	152.083729621
91563	Mono_Isotopic_Weight	74.036779430
115235	Covalent_Unit_Count	2
99564	TPSA	25.2
92840	Tautomer_Count	1
12510709	Structure_Complexity	77.6
9797360	Defined_Atom_Stereo_Count	0
73813	Molecular_Weight	110.20
98032	Molecular_Weight	238.28
6837	Total_Formal_Charge	0
49862627	Hydrogen_Bond_Donor_Count	1
69297	Isotope_Atom_Count	0
5378630	Undefined_Bond_Stereo_Count	0
92850	Undefined_Bond_Stereo_Count	0
4015	Structure_Complexity	428
15031772	Isotope_Atom_Count	0
106228050	Exact_Mass	111.068413911
60196284	Exact_Mass	451.3217074
71812105	Undefined_Atom_Stereo_Count	1
36584	Rotatable_Bond_Count	5
163050681	Total_Formal_Charge	0
5362894	Hydrogen_Bond_Donor_Count	0
21482439	Defined_Bond_Stereo_Count	0
12382883	TPSA	70.4
12349471	XLogP3-AA	0.8
3542	Isotope_Atom_Count	0
763185	Mono_Isotopic_Weight	254.178298710
15122078	Molecular_Weight	262.07
54267	Non-hydrogen_Atom_Count	5
20361855	Exact_Mass	102.079312947
96457	TPSA	112
594781	Non-hydrogen_Atom_Count	12
76538	Defined_Bond_Stereo_Count	0
448925	Rotatable_Bond_Count	4
3034024	Defined_Atom_Stereo_Count	0
10695575	Exact_Mass	467.25727730
43102	Defined_Bond_Stereo_Count	0
131850547	Defined_Atom_Stereo_Count	0
81416328	Undefined_Atom_Stereo_Count	2
101656013	Defined_Atom_Stereo_Count	19
6787	Undefined_Bond_Stereo_Count	0
10079877	Molecular_Weight	1111.3
10953453	Structure_Complexity	129
54114222	Hydrogen_Bond_Donor_Count	0
529031	Total_Formal_Charge	0
135410906	Covalent_Unit_Count	1
122081	Undefined_Bond_Stereo_Count	0
338733	Defined_Bond_Stereo_Count	0
517106	Molecular_Weight	236.05
86083878	Defined_Bond_Stereo_Count	0
86287410	XLogP3-AA	2.8
86146	Hydrogen_Bond_Acceptor_Count	3
20277171	Defined_Bond_Stereo_Count	0
22222152	Hydrogen_Bond_Donor_Count	0
25079036	TPSA	512
13276908	Exact_Mass	97.052763847
54362	Total_Formal_Charge	0
1957	Defined_Atom_Stereo_Count	0
11240433	Undefined_Atom_Stereo_Count	1
44338843	Hydrogen_Bond_Donor_Count	3
1301	Undefined_Bond_Stereo_Count	0
4510	Undefined_Atom_Stereo_Count	0
12757499	Hydrogen_Bond_Donor_Count	0
91986	Hydrogen_Bond_Acceptor_Count	1
11843	Undefined_Atom_Stereo_Count	0
9847241	Covalent_Unit_Count	2
144813235	Isotope_Atom_Count	0
65037	Hydrogen_Bond_Donor_Count	1
53898601	Covalent_Unit_Count	1
68009	TPSA	17.1
10943	Hydrogen_Bond_Donor_Count	0
87303552	Covalent_Unit_Count	1
595926	Hydrogen_Bond_Acceptor_Count	1
11239	XLogP3-AA	2.2
10855394	Non-hydrogen_Atom_Count	7
3045375	Mono_Isotopic_Weight	448.1553704
11423559	Tautomer_Count	1
9821217	Tautomer_Count	1
87476740	Isotope_Atom_Count	0
101417707	Covalent_Unit_Count	1
412795	Hydrogen_Bond_Donor_Count	0
49505	Defined_Atom_Stereo_Count	0
23293193	Defined_Atom_Stereo_Count	0
37243	Tautomer_Count	1
44126083	Rotatable_Bond_Count	5
145909964	Non-hydrogen_Atom_Count	7
13245696	Total_Formal_Charge	0
31573	Rotatable_Bond_Count	6
20337519	Mono_Isotopic_Weight	86.084398327
16533	Defined_Bond_Stereo_Count	0
123894108	Defined_Atom_Stereo_Count	0
50258	Exact_Mass	298.22564282
54143259	Mono_Isotopic_Weight	98.073164938
73182	Tautomer_Count	1
17184	Exact_Mass	387.13517331
24453	Total_Formal_Charge	0
3376	Molecular_Weight	494.6
9846588	Hydrogen_Bond_Acceptor_Count	8
24426	Tautomer_Count	1
12306686	Undefined_Bond_Stereo_Count	0
71363036	Structure_Complexity	358
11115	Molecular_Weight	236.31
332226	Isotope_Atom_Count	0
12331	Structure_Complexity	41.7
22058225	Mono_Isotopic_Weight	438.14607235
12719155	Defined_Atom_Stereo_Count	0
440064	Covalent_Unit_Count	1
102119819	Defined_Bond_Stereo_Count	0
89292361	Mono_Isotopic_Weight	100.100048391
6450830	Total_Formal_Charge	0
6991966	Undefined_Bond_Stereo_Count	0
2064030	Exact_Mass	295.96981
14809442	Isotope_Atom_Count	0
12224251	Molecular_Weight	112.13
6064	Hydrogen_Bond_Donor_Count	2
3613700	Exact_Mass	203.0017026
71454287	Hydrogen_Bond_Donor_Count	2
3568	Exact_Mass	338.10016753
91495606	Mono_Isotopic_Weight	114.104465066
71437196	Defined_Bond_Stereo_Count	0
131695	Rotatable_Bond_Count	6
35898	Molecular_Weight	276.37
524653	Undefined_Atom_Stereo_Count	2
61778	Structure_Complexity	76
969108	Mono_Isotopic_Weight	301.17902698
2303	Undefined_Bond_Stereo_Count	0
6041	TPSA	52.5
154104	Exact_Mass	303.10414797
3923	Defined_Bond_Stereo_Count	0
458645	Exact_Mass	418.2512821
10197656	Hydrogen_Bond_Acceptor_Count	3
32767	XLogP3-AA	3.6
5113032	Undefined_Atom_Stereo_Count	1
435360	Structure_Complexity	172
7750126	Undefined_Bond_Stereo_Count	0
6917976	Molecular_Weight	1079.3
24871329	Exact_Mass	639.8696636
1219914	XLogP3-AA	3.5
88077632	Structure_Complexity	185
78160	Defined_Atom_Stereo_Count	0
5311093	Exact_Mass	417.32429423
53886733	Defined_Atom_Stereo_Count	0
760021	Molecular_Weight	229.27
9969613	Defined_Atom_Stereo_Count	0
337310	Undefined_Bond_Stereo_Count	0
10887844	Defined_Bond_Stereo_Count	0
472	XLogP3-AA	1.1
5116	Molecular_Weight	333.2
138358	Defined_Bond_Stereo_Count	0
2256	Isotope_Atom_Count	0
18477728	Undefined_Bond_Stereo_Count	0
20714804	TPSA	26.3
17185	Rotatable_Bond_Count	7
124328800	Undefined_Atom_Stereo_Count	0
5352982	Total_Formal_Charge	0
2308	Molecular_Weight	408.9
136364887	Molecular_Weight	112.09
112239	Mono_Isotopic_Weight	242.224580195
681701	Total_Formal_Charge	0
5311424	Hydrogen_Bond_Donor_Count	2
318158	Undefined_Bond_Stereo_Count	0
3872	Hydrogen_Bond_Acceptor_Count	11
135439051	Rotatable_Bond_Count	12
91280177	Mono_Isotopic_Weight	110.109550447
21766867	Hydrogen_Bond_Donor_Count	0
44237360	Undefined_Bond_Stereo_Count	0
9576891	Defined_Bond_Stereo_Count	1
9577004	Rotatable_Bond_Count	1
9870185	TPSA	90.9
44404640	Covalent_Unit_Count	1
20838642	Tautomer_Count	2
46078	Hydrogen_Bond_Donor_Count	1
41743	Non-hydrogen_Atom_Count	18
7385	Non-hydrogen_Atom_Count	12
3052	Hydrogen_Bond_Donor_Count	0
119476	Isotope_Atom_Count	0
71309918	Rotatable_Bond_Count	4
6669	Mono_Isotopic_Weight	294.12157168
69061828	Undefined_Atom_Stereo_Count	0
2032	Hydrogen_Bond_Acceptor_Count	3
71117	Molecular_Weight	346.4
13223	Mono_Isotopic_Weight	164.047344113
233979	Covalent_Unit_Count	1
53470	Mono_Isotopic_Weight	245.08520679
10877079	Hydrogen_Bond_Donor_Count	1
163518393	Molecular_Weight	115.13
119032	TPSA	108
41023	Hydrogen_Bond_Acceptor_Count	3
2723650	TPSA	56.2
61184	Structure_Complexity	86.9
757435	Rotatable_Bond_Count	5
7752	Covalent_Unit_Count	1
8095	Undefined_Bond_Stereo_Count	0
37271	Mono_Isotopic_Weight	237.10010796
800	Undefined_Bond_Stereo_Count	0
448223	Hydrogen_Bond_Donor_Count	1
90109	Defined_Bond_Stereo_Count	0
14380	Covalent_Unit_Count	1
556684	Total_Formal_Charge	0
314533	Hydrogen_Bond_Donor_Count	2
9824562	Isotope_Atom_Count	0
24181320	Isotope_Atom_Count	0
102089288	Undefined_Atom_Stereo_Count	0
19437303	Structure_Complexity	80.2
5587	Undefined_Atom_Stereo_Count	0
443971	Defined_Atom_Stereo_Count	0
99923	Undefined_Atom_Stereo_Count	7
44828796	Undefined_Bond_Stereo_Count	0
53314962	Rotatable_Bond_Count	4
24424	Isotope_Atom_Count	0
20798667	Total_Formal_Charge	0
657237	Rotatable_Bond_Count	2
23349319	Non-hydrogen_Atom_Count	8
19502	Exact_Mass	112.125200510
23678	Structure_Complexity	146
92283	Non-hydrogen_Atom_Count	12
440735	Undefined_Atom_Stereo_Count	0
5419	XLogP3-AA	1.8
3038477	Exact_Mass	378.12494298
135403804	Rotatable_Bond_Count	2
71517699	Undefined_Atom_Stereo_Count	0
123609380	Exact_Mass	94.078250319
3045407	Tautomer_Count	1
62902	Undefined_Bond_Stereo_Count	0
123637651	Defined_Bond_Stereo_Count	0
12632928	Mono_Isotopic_Weight	97.089149355
13848	Covalent_Unit_Count	1
68289914	Isotope_Atom_Count	0
56845780	Defined_Atom_Stereo_Count	4
11974019	Defined_Bond_Stereo_Count	0
64992731	TPSA	52.9
6538	Non-hydrogen_Atom_Count	20
51814	Total_Formal_Charge	0
33838	Hydrogen_Bond_Donor_Count	2
40496	Total_Formal_Charge	0
35775	Undefined_Bond_Stereo_Count	0
10031428	Exact_Mass	595.21409234
19822625	Structure_Complexity	41.4
88322	TPSA	46.9
61660	Exact_Mass	156.02450067
6435500	Undefined_Atom_Stereo_Count	1
6652	Hydrogen_Bond_Donor_Count	0
86305	Undefined_Bond_Stereo_Count	0
166033	Tautomer_Count	1
29215	XLogP3-AA	2.9
34591	Undefined_Atom_Stereo_Count	0
13033	Isotope_Atom_Count	0
13765439	Molecular_Weight	163.20
9823454	XLogP3-AA	4.2
145567316	Undefined_Bond_Stereo_Count	0
11672461	Defined_Atom_Stereo_Count	1
73828	Rotatable_Bond_Count	2
81129	Molecular_Weight	185.02
4659569	Molecular_Weight	273.24
76224463	Rotatable_Bond_Count	1
123117	Total_Formal_Charge	0
115011062	Molecular_Weight	114.14
140147	Molecular_Weight	96.13
123558404	TPSA	20.3
16133892	Covalent_Unit_Count	1
1639804	Isotope_Atom_Count	0
607248	Structure_Complexity	161
10305301	Hydrogen_Bond_Acceptor_Count	12
22836	Mono_Isotopic_Weight	368.2019266
139044268	Molecular_Weight	324.4
53754520	Defined_Bond_Stereo_Count	0
12653319	Molecular_Weight	117.15
9797059	Defined_Bond_Stereo_Count	0
131170	Isotope_Atom_Count	0
31215	Total_Formal_Charge	0
9960569	Defined_Atom_Stereo_Count	0
71486	Undefined_Atom_Stereo_Count	1
672296	Hydrogen_Bond_Donor_Count	0
1070	Structure_Complexity	522
121290475	Defined_Bond_Stereo_Count	0
53642689	Total_Formal_Charge	0
5977	Undefined_Atom_Stereo_Count	0
3139	Rotatable_Bond_Count	3
4523333	Molecular_Weight	151.14
9808844	Rotatable_Bond_Count	6
13364	TPSA	3.2
447956	Defined_Bond_Stereo_Count	0
6434185	Isotope_Atom_Count	0
60196383	Hydrogen_Bond_Acceptor_Count	6
429819	Non-hydrogen_Atom_Count	13
84072504	Mono_Isotopic_Weight	113.047678466
77903	Molecular_Weight	276.4
6971033	Rotatable_Bond_Count	2
136060671	Molecular_Weight	181.23
70589	Non-hydrogen_Atom_Count	25
201734	Undefined_Atom_Stereo_Count	0
47354	Undefined_Atom_Stereo_Count	1
22475863	Non-hydrogen_Atom_Count	7
722533	Molecular_Weight	292.31
61986	Covalent_Unit_Count	2
5351154	Mono_Isotopic_Weight	184.11849242
138277	Undefined_Atom_Stereo_Count	0
71464652	Structure_Complexity	463
5483874	Hydrogen_Bond_Donor_Count	0
45008	Non-hydrogen_Atom_Count	19
85470810	Exact_Mass	528.10564683
61101	Hydrogen_Bond_Donor_Count	0
4820	Non-hydrogen_Atom_Count	20
13199930	Structure_Complexity	181
135398560	TPSA	204
141738	Hydrogen_Bond_Acceptor_Count	0
69244	Mono_Isotopic_Weight	97.089149355
15257	Total_Formal_Charge	0
6848	Covalent_Unit_Count	1
88269064	Molecular_Weight	113.11
54036153	Molecular_Weight	111.14
798232	Undefined_Atom_Stereo_Count	0
63950	Covalent_Unit_Count	1
44348	Tautomer_Count	1
3598	Undefined_Atom_Stereo_Count	0
79173	Mono_Isotopic_Weight	174.107606347
54525833	Defined_Bond_Stereo_Count	0
90478690	Hydrogen_Bond_Donor_Count	10
1937	Rotatable_Bond_Count	4
81263	Mono_Isotopic_Weight	156.151415257
636401	Rotatable_Bond_Count	3
148362624	Defined_Bond_Stereo_Count	0
51346964	Covalent_Unit_Count	1
123642	Isotope_Atom_Count	0
30997	Exact_Mass	203.131014166
10229498	Mono_Isotopic_Weight	511.932274
261491	Undefined_Atom_Stereo_Count	0
124328164	Exact_Mass	530.28796829
3033832	Covalent_Unit_Count	2
7146283	Hydrogen_Bond_Acceptor_Count	6
73922	Exact_Mass	257.95277
85289	Non-hydrogen_Atom_Count	40
10638446	Undefined_Atom_Stereo_Count	0
74346	Defined_Atom_Stereo_Count	0
4038	Total_Formal_Charge	0
90753032	Isotope_Atom_Count	0
39897	TPSA	116
103609	Undefined_Bond_Stereo_Count	0
12082850	Defined_Bond_Stereo_Count	1
56427	Molecular_Weight	217.31
13000143	Non-hydrogen_Atom_Count	6
537396	Defined_Bond_Stereo_Count	0
13246	TPSA	17.1
93922	Isotope_Atom_Count	0
62398693	Non-hydrogen_Atom_Count	7
5461103	Defined_Bond_Stereo_Count	0
147570519	TPSA	3.2
17017	Hydrogen_Bond_Acceptor_Count	2
50990393	Exact_Mass	923.48784986
3651	Defined_Bond_Stereo_Count	0
129533	Defined_Atom_Stereo_Count	4
10290744	Defined_Atom_Stereo_Count	0
18673160	Defined_Bond_Stereo_Count	0
121444434	Defined_Atom_Stereo_Count	0
46907953	TPSA	49.3
35841	Undefined_Atom_Stereo_Count	0
24585	Molecular_Weight	154.25
88589624	Non-hydrogen_Atom_Count	47
141315890	TPSA	30.8
65726	Covalent_Unit_Count	1
163934	Hydrogen_Bond_Donor_Count	1
1420	Rotatable_Bond_Count	12
23378923	Hydrogen_Bond_Acceptor_Count	1
68036	Defined_Atom_Stereo_Count	0
17129	Molecular_Weight	172.26
2812	Rotatable_Bond_Count	4
91433828	XLogP3-AA	4
2822	Isotope_Atom_Count	0
12962	Total_Formal_Charge	0
118466088	Exact_Mass	108.032362755
12232989	Undefined_Bond_Stereo_Count	0
57327016	Hydrogen_Bond_Donor_Count	4
87671446	Isotope_Atom_Count	0
24762228	Undefined_Bond_Stereo_Count	0
135408714	Covalent_Unit_Count	1
101587	Total_Formal_Charge	0
4223	Rotatable_Bond_Count	7
74362	Non-hydrogen_Atom_Count	13
11477833	Hydrogen_Bond_Donor_Count	3
22323434	Structure_Complexity	551
62817	Isotope_Atom_Count	0
3811100	Covalent_Unit_Count	1
5475462	Isotope_Atom_Count	0
2683	Isotope_Atom_Count	0
572065	Structure_Complexity	161
62264	Defined_Bond_Stereo_Count	0
74079	Hydrogen_Bond_Acceptor_Count	4
129864959	Exact_Mass	292.10341969
6537490	Hydrogen_Bond_Acceptor_Count	4
54445181	Undefined_Atom_Stereo_Count	0
120942	Hydrogen_Bond_Acceptor_Count	7
49865920	TPSA	55.6
40467053	Undefined_Bond_Stereo_Count	0
2762553	Rotatable_Bond_Count	3
6436605	Hydrogen_Bond_Donor_Count	1
25058197	Hydrogen_Bond_Donor_Count	1
502272	Tautomer_Count	4
8191	Hydrogen_Bond_Donor_Count	0
24899382	Covalent_Unit_Count	1
60196374	Hydrogen_Bond_Acceptor_Count	2
5270603	Molecular_Weight	242.23
75640	Hydrogen_Bond_Acceptor_Count	0
71555	Undefined_Bond_Stereo_Count	0
779	Covalent_Unit_Count	1
82593532	Rotatable_Bond_Count	1
4523333	Exact_Mass	151.039519081
18789128	Covalent_Unit_Count	1
129694466	Undefined_Bond_Stereo_Count	0
12383043	Structure_Complexity	64
22986754	Molecular_Weight	112.17
22848362	Non-hydrogen_Atom_Count	24
54435026	TPSA	29.5
104920	Total_Formal_Charge	0
37631	Hydrogen_Bond_Acceptor_Count	3
8121	Undefined_Bond_Stereo_Count	0
135598760	Hydrogen_Bond_Donor_Count	2
91490	Defined_Bond_Stereo_Count	0
22866	Hydrogen_Bond_Acceptor_Count	14
27774	Covalent_Unit_Count	1
88861581	Exact_Mass	110.073164938
147078	Defined_Atom_Stereo_Count	3
5503	Defined_Bond_Stereo_Count	0
560193	Undefined_Bond_Stereo_Count	0
5283547	Molecular_Weight	580.9
12745213	Isotope_Atom_Count	0
141315890	Structure_Complexity	72.1
10898660	Rotatable_Bond_Count	1
6971096	Covalent_Unit_Count	1
57952	Non-hydrogen_Atom_Count	28
53247304	Hydrogen_Bond_Acceptor_Count	2
41438	Non-hydrogen_Atom_Count	23
69550	Defined_Atom_Stereo_Count	0
176265	Non-hydrogen_Atom_Count	18
9981404	Hydrogen_Bond_Acceptor_Count	7
26514	Rotatable_Bond_Count	6
79577298	TPSA	29.5
6436126	Covalent_Unit_Count	1
11698	Covalent_Unit_Count	1
2315	TPSA	135
6917773	Non-hydrogen_Atom_Count	33
10351660	Total_Formal_Charge	0
54496696	Non-hydrogen_Atom_Count	7
24453	Isotope_Atom_Count	0
906	Mono_Isotopic_Weight	309.10598118
147126464	Covalent_Unit_Count	1
241793	XLogP3-AA	0.5
20695	TPSA	41.5
20251205	Exact_Mass	112.063662883
5383	Non-hydrogen_Atom_Count	15
12579106	Hydrogen_Bond_Donor_Count	1
85983	Hydrogen_Bond_Acceptor_Count	4
83826166	Defined_Atom_Stereo_Count	0
4561	Covalent_Unit_Count	1
33728341	Mono_Isotopic_Weight	113.058911855
20626690	Hydrogen_Bond_Donor_Count	1
70163	Rotatable_Bond_Count	2
40701	Hydrogen_Bond_Acceptor_Count	2
56977978	Defined_Atom_Stereo_Count	0
70267	Exact_Mass	123.068413911
13597	Covalent_Unit_Count	1
61141	Undefined_Bond_Stereo_Count	0
89356917	Covalent_Unit_Count	1
15967	Molecular_Weight	277.4
87470	Defined_Atom_Stereo_Count	0
10329254	Exact_Mass	100.088815002
49342	Non-hydrogen_Atom_Count	16
3384	Rotatable_Bond_Count	1
412781	Hydrogen_Bond_Acceptor_Count	4
21930812	Undefined_Bond_Stereo_Count	0
13299177	Exact_Mass	94.078250319
12884652	Rotatable_Bond_Count	1
25014844	Defined_Atom_Stereo_Count	0
5280373	Undefined_Bond_Stereo_Count	0
68723	TPSA	57.7
57403815	Exact_Mass	539.22426310
78350	Isotope_Atom_Count	0
40550	Covalent_Unit_Count	1
182420	Tautomer_Count	1
3035894	Defined_Bond_Stereo_Count	0
20649100	Isotope_Atom_Count	0
28871	XLogP3	5.2
8491	Tautomer_Count	1
140152869	Undefined_Bond_Stereo_Count	1
75043	Non-hydrogen_Atom_Count	13
9827294	Defined_Bond_Stereo_Count	0
6450232	Total_Formal_Charge	0
71397	Mono_Isotopic_Weight	285.151749610
12318317	Covalent_Unit_Count	1
13551	Undefined_Bond_Stereo_Count	0
148191	Isotope_Atom_Count	0
132306	Defined_Bond_Stereo_Count	0
282	Hydrogen_Bond_Acceptor_Count	4
97617	Defined_Bond_Stereo_Count	0
652019	Structure_Complexity	781
23725095	Tautomer_Count	2
51038316	Rotatable_Bond_Count	8
6168	Covalent_Unit_Count	1
1344	XLogP3	0.1
213049	Non-hydrogen_Atom_Count	33
7048611	Undefined_Atom_Stereo_Count	0
413520	TPSA	3.9
153127831	Defined_Bond_Stereo_Count	0
96356	Defined_Atom_Stereo_Count	0
134854766	Total_Formal_Charge	0
3237289	Hydrogen_Bond_Donor_Count	0
90479798	Defined_Bond_Stereo_Count	0
71109	Mono_Isotopic_Weight	272.152477885
62965	XLogP3	2
70211	Hydrogen_Bond_Donor_Count	0
101254454	Defined_Atom_Stereo_Count	0
5484735	Exact_Mass	523.02901142
9101	Undefined_Atom_Stereo_Count	2
6436173	Covalent_Unit_Count	1
56666736	Defined_Atom_Stereo_Count	4
5354499	Hydrogen_Bond_Donor_Count	0
89708952	Non-hydrogen_Atom_Count	8
38980	Total_Formal_Charge	0
1354	Structure_Complexity	246
67698	Molecular_Weight	180.10
12452576	Non-hydrogen_Atom_Count	6
65723	Undefined_Atom_Stereo_Count	0
122081	Defined_Atom_Stereo_Count	0
240534	Defined_Atom_Stereo_Count	0
10967532	Rotatable_Bond_Count	1
154701779	Isotope_Atom_Count	0
8048	Hydrogen_Bond_Donor_Count	0
34231	Exact_Mass	669.14421716
11747547	Defined_Bond_Stereo_Count	0
15928	Exact_Mass	108.081324323
16158103	Undefined_Bond_Stereo_Count	0
6992041	Exact_Mass	278.96977556
122449120	Molecular_Weight	100.12
10909508	Total_Formal_Charge	0
39799	Mono_Isotopic_Weight	483.779990
24883735	XLogP3-AA	3.6
25114553	Non-hydrogen_Atom_Count	36
71626	Tautomer_Count	1
444764	Exact_Mass	209.03242232
97931	Rotatable_Bond_Count	5
13932051	Molecular_Weight	128.17
6950	Defined_Atom_Stereo_Count	0
71395877	Isotope_Atom_Count	0
68557	Rotatable_Bond_Count	10
1755	Non-hydrogen_Atom_Count	15
12845046	Structure_Complexity	76.8
36982	Undefined_Atom_Stereo_Count	0
85904461	Isotope_Atom_Count	0
135761165	TPSA	215
129913833	Rotatable_Bond_Count	1
12724530	Structure_Complexity	84.2
71986	Total_Formal_Charge	0
71771808	Structure_Complexity	382
647120	Defined_Atom_Stereo_Count	0
137658	Undefined_Bond_Stereo_Count	0
13531445	Isotope_Atom_Count	0
48104	Undefined_Atom_Stereo_Count	4
124202907	Molecular_Weight	354.21
24771766	Rotatable_Bond_Count	0
281660	Isotope_Atom_Count	0
54373	Non-hydrogen_Atom_Count	79
10206604	Non-hydrogen_Atom_Count	35
140639440	TPSA	61.2
47552	XLogP3	0.5
13528037	Tautomer_Count	7
360129	Covalent_Unit_Count	1
133637885	Total_Formal_Charge	0
26248	Isotope_Atom_Count	0
11349389	Isotope_Atom_Count	0
23615430	Hydrogen_Bond_Acceptor_Count	5
119574	TPSA	67.6
71496458	Undefined_Bond_Stereo_Count	0
68737	Rotatable_Bond_Count	2
69095	TPSA	111
51030896	Defined_Bond_Stereo_Count	0
17816433	Structure_Complexity	74.2
13009112	XLogP3-AA	0.5
20632752	Defined_Bond_Stereo_Count	0
78006	Total_Formal_Charge	0
138402871	Rotatable_Bond_Count	11
54572926	TPSA	53.5
144524	Total_Formal_Charge	0
793	Mono_Isotopic_Weight	156.05349212
5009	Molecular_Weight	323.4
20996	TPSA	0
19690463	Defined_Atom_Stereo_Count	0
5280608	Hydrogen_Bond_Donor_Count	2
2846	Mono_Isotopic_Weight	662.41556884
190291	Tautomer_Count	2
11006945	Undefined_Bond_Stereo_Count	0
70265544	XLogP3-AA	1.2
19648	Undefined_Atom_Stereo_Count	0
6469	Defined_Bond_Stereo_Count	0
11412356	Hydrogen_Bond_Acceptor_Count	2
53316382	Undefined_Atom_Stereo_Count	0
21694866	Defined_Atom_Stereo_Count	0
5149739	Undefined_Bond_Stereo_Count	0
66737	Rotatable_Bond_Count	1
135458645	Molecular_Weight	847.0
10214378	Covalent_Unit_Count	1
23635314	Undefined_Atom_Stereo_Count	0
135434844	Molecular_Weight	1145.3
520540	Molecular_Weight	84.12
916113	Hydrogen_Bond_Acceptor_Count	4
1177	Non-hydrogen_Atom_Count	17
160883	Hydrogen_Bond_Acceptor_Count	4
87201	Mono_Isotopic_Weight	223.12084340
67948733	Rotatable_Bond_Count	3
15586	Defined_Atom_Stereo_Count	0
50856	Exact_Mass	216.1029409
21075	Total_Formal_Charge	0
5284633	Total_Formal_Charge	0
117926	Mono_Isotopic_Weight	115.99320054
2866	Isotope_Atom_Count	0
80293	Defined_Bond_Stereo_Count	0
11434927	Undefined_Atom_Stereo_Count	0
83134	Mono_Isotopic_Weight	223.10558726
135472946	Rotatable_Bond_Count	7
154342062	Structure_Complexity	121
135509079	Undefined_Bond_Stereo_Count	0
133886	Tautomer_Count	7
5359541	Structure_Complexity	25.7
60050	Rotatable_Bond_Count	3
31254	Hydrogen_Bond_Donor_Count	1
74030550	Undefined_Atom_Stereo_Count	40
9905438	Molecular_Weight	327.2
155882889	Hydrogen_Bond_Donor_Count	0
90547	Covalent_Unit_Count	2
55480	Molecular_Weight	282.81
44565798	TPSA	100
67656913	Total_Formal_Charge	0
1811	TPSA	138
57395974	Total_Formal_Charge	0
3082460	Non-hydrogen_Atom_Count	24
18139	Hydrogen_Bond_Acceptor_Count	4
11241863	Covalent_Unit_Count	1
527559	Undefined_Atom_Stereo_Count	0
118208260	Exact_Mass	109.016378338
96261	Covalent_Unit_Count	1
8799	Mono_Isotopic_Weight	359.960203
21545139	Defined_Atom_Stereo_Count	0
1761	Hydrogen_Bond_Acceptor_Count	8
9324	Hydrogen_Bond_Acceptor_Count	4
100165	Undefined_Atom_Stereo_Count	2
53442174	Defined_Bond_Stereo_Count	0
9430	Undefined_Bond_Stereo_Count	0
53326398	Hydrogen_Bond_Donor_Count	2
123904644	Undefined_Atom_Stereo_Count	3
21265	Hydrogen_Bond_Acceptor_Count	2
94495	Undefined_Bond_Stereo_Count	0
11399764	TPSA	139
65844	Defined_Bond_Stereo_Count	0
67435898	Total_Formal_Charge	0
22899343	Hydrogen_Bond_Donor_Count	1
71464628	Non-hydrogen_Atom_Count	30
56845780	Isotope_Atom_Count	0
1024	Molecular_Weight	330.21
3613359	Rotatable_Bond_Count	0
73399	Total_Formal_Charge	0
135546482	Covalent_Unit_Count	1
9859365	Exact_Mass	225.115364102
76579279	TPSA	40.5
193504	Mono_Isotopic_Weight	102.115698455
22060156	Non-hydrogen_Atom_Count	12
57560	Defined_Atom_Stereo_Count	0
102131130	Covalent_Unit_Count	1
5355732	Hydrogen_Bond_Donor_Count	0
150748	Covalent_Unit_Count	1
5771	Defined_Bond_Stereo_Count	0
526	Defined_Bond_Stereo_Count	0
165286	Defined_Atom_Stereo_Count	0
71094775	Undefined_Atom_Stereo_Count	5
62705690	Undefined_Atom_Stereo_Count	0
3839223	Defined_Bond_Stereo_Count	0
6539026	Hydrogen_Bond_Acceptor_Count	8
27189	Hydrogen_Bond_Acceptor_Count	2
15684	TPSA	20.2
91087911	TPSA	20.2
6918193	Undefined_Atom_Stereo_Count	0
448285	Undefined_Atom_Stereo_Count	0
9009	Defined_Bond_Stereo_Count	0
117957810	Defined_Atom_Stereo_Count	0
10953450	Defined_Bond_Stereo_Count	0
12262	Molecular_Weight	104.15
90469695	Undefined_Bond_Stereo_Count	0
45085022	Non-hydrogen_Atom_Count	8
123273783	Mono_Isotopic_Weight	106.078250319
52944459	Molecular_Weight	381.4
21581827	Defined_Atom_Stereo_Count	4
11404337	Rotatable_Bond_Count	2
54760130	Undefined_Bond_Stereo_Count	0
5743835	Non-hydrogen_Atom_Count	19
59503411	Defined_Atom_Stereo_Count	3
445750	Isotope_Atom_Count	0
23268532	Defined_Atom_Stereo_Count	0
9890377	Undefined_Atom_Stereo_Count	2
4280	Mono_Isotopic_Weight	289.06200837
122077	Non-hydrogen_Atom_Count	28
881	Exact_Mass	15.0234750957
156614100	Covalent_Unit_Count	3
6437877	Rotatable_Bond_Count	12
2723772	Exact_Mass	116.01566732
27697	Exact_Mass	201.151749610
97289	TPSA	20.2
34799	Mono_Isotopic_Weight	205.146664230
23685849	Rotatable_Bond_Count	7
54060	Defined_Atom_Stereo_Count	0
9559	Undefined_Atom_Stereo_Count	0
5365793	Defined_Atom_Stereo_Count	0
525424	Mono_Isotopic_Weight	86.01902136
25657	TPSA	17.1
24480	Non-hydrogen_Atom_Count	3
131632500	Defined_Bond_Stereo_Count	0
67497	Tautomer_Count	1
183797	Covalent_Unit_Count	1
542158	Exact_Mass	484.2128852
118654527	Total_Formal_Charge	0
688	TPSA	146
54111	Defined_Bond_Stereo_Count	0
38359009	Covalent_Unit_Count	1
118978207	Defined_Bond_Stereo_Count	0
10026604	Hydrogen_Bond_Acceptor_Count	5
60977	XLogP3-AA	3.9
593369	XLogP3-AA	3.7
11170949	Hydrogen_Bond_Acceptor_Count	2
24825758	Molecular_Weight	1169.5
31917	Non-hydrogen_Atom_Count	24
70695634	Undefined_Bond_Stereo_Count	0
5315455	Hydrogen_Bond_Acceptor_Count	7
403	Covalent_Unit_Count	1
3272524	Exact_Mass	336.01645516
6436055	Undefined_Atom_Stereo_Count	0
94818	Hydrogen_Bond_Donor_Count	1
43226	Defined_Bond_Stereo_Count	0
8480	Hydrogen_Bond_Acceptor_Count	4
117822	Structure_Complexity	356
10080510	Isotope_Atom_Count	0
100427	Total_Formal_Charge	0
97747	Non-hydrogen_Atom_Count	18
14920524	Structure_Complexity	94.4
47519	Molecular_Weight	102.13
625295	Rotatable_Bond_Count	7
13349550	Structure_Complexity	150
44205240	Defined_Bond_Stereo_Count	0
139256539	Defined_Atom_Stereo_Count	5
85922476	TPSA	20.2
6427	Hydrogen_Bond_Acceptor_Count	2
3034351	Total_Formal_Charge	0
69342090	Non-hydrogen_Atom_Count	8
52442	Exact_Mass	323.212338489
135398727	Structure_Complexity	598
4790	Molecular_Weight	260.4
3500	Isotope_Atom_Count	0
25273227	Hydrogen_Bond_Donor_Count	1
6896	Structure_Complexity	80.6
40459111	Structure_Complexity	370
15420544	Exact_Mass	254.094294304
9794056	Defined_Atom_Stereo_Count	5
735950	Defined_Atom_Stereo_Count	0
62705690	Defined_Atom_Stereo_Count	0
10080320	Undefined_Bond_Stereo_Count	0
13950368	Exact_Mass	98.036779430
102063302	Structure_Complexity	270
5284551	TPSA	163
82234717	Hydrogen_Bond_Acceptor_Count	2
23662264	Mono_Isotopic_Weight	217.906892
465818	Isotope_Atom_Count	0
107917	Defined_Bond_Stereo_Count	0
4621	TPSA	64.1
124770286	Hydrogen_Bond_Acceptor_Count	14
3711576	Molecular_Weight	293.44
825744	Total_Formal_Charge	0
5288598	Non-hydrogen_Atom_Count	17
8195	Non-hydrogen_Atom_Count	13
104866516	Hydrogen_Bond_Acceptor_Count	2
71853	Mono_Isotopic_Weight	1525.6353145
65067	Structure_Complexity	197
163090688	Undefined_Atom_Stereo_Count	7
4042	TPSA	60.4
118855904	Total_Formal_Charge	0
51622	Total_Formal_Charge	0
54680783	XLogP3-AA	1.7
6584	Isotope_Atom_Count	0
1382059	Structure_Complexity	113
11316914	Rotatable_Bond_Count	4
2852	Non-hydrogen_Atom_Count	42
24807614	Non-hydrogen_Atom_Count	53
49440	Molecular_Weight	220.6
7910	Isotope_Atom_Count	0
68666	Non-hydrogen_Atom_Count	31
14336	Non-hydrogen_Atom_Count	14
19693	Total_Formal_Charge	0
7255	Undefined_Bond_Stereo_Count	0
56675697	Rotatable_Bond_Count	10
99828	Molecular_Weight	236.3
74746	Covalent_Unit_Count	1
148201	Undefined_Atom_Stereo_Count	0
7055551	XLogP3-AA	2.9
107377	Rotatable_Bond_Count	8
16220061	Rotatable_Bond_Count	12
5275508	Structure_Complexity	342
32897	Exact_Mass	151.099714038
11187581	Hydrogen_Bond_Donor_Count	3
62672	Covalent_Unit_Count	6
5384200	Undefined_Bond_Stereo_Count	0
980	Undefined_Bond_Stereo_Count	0
3778	Total_Formal_Charge	0
3272	Mono_Isotopic_Weight	456.25118886
23665731	Isotope_Atom_Count	0
48041	Rotatable_Bond_Count	6
12705073	Undefined_Bond_Stereo_Count	0
6450278	Undefined_Atom_Stereo_Count	0
61141	Undefined_Atom_Stereo_Count	0
299643	Hydrogen_Bond_Donor_Count	1
740525	Defined_Atom_Stereo_Count	1
10555851	Total_Formal_Charge	0
131839580	Mono_Isotopic_Weight	681.24869948
11865435	Total_Formal_Charge	0
16637	Hydrogen_Bond_Acceptor_Count	1
149519	Mono_Isotopic_Weight	348.19501140
39187	Undefined_Bond_Stereo_Count	0
97469	Structure_Complexity	159
14968895	Non-hydrogen_Atom_Count	8
53924211	Molecular_Weight	112.09
23694217	Defined_Atom_Stereo_Count	6
5280373	Undefined_Atom_Stereo_Count	0
93290	Hydrogen_Bond_Acceptor_Count	0
68790	Defined_Bond_Stereo_Count	0
71733	Molecular_Weight	261.36
11779028	Structure_Complexity	472
18506396	Non-hydrogen_Atom_Count	8
31255	Total_Formal_Charge	0
11586735	Molecular_Weight	237.30
8317	Rotatable_Bond_Count	0
14907580	XLogP3-AA	0.6
57387	Tautomer_Count	1
11288	Hydrogen_Bond_Donor_Count	3
446925	Defined_Bond_Stereo_Count	11
7571	Undefined_Atom_Stereo_Count	0
53346602	Isotope_Atom_Count	0
63801	Hydrogen_Bond_Donor_Count	3
10090285	Undefined_Atom_Stereo_Count	0
71437313	XLogP3-AA	0.8
51051642	Mono_Isotopic_Weight	861.37829941
94034	Total_Formal_Charge	0
502	Total_Formal_Charge	0
44310838	Structure_Complexity	593
13808289	Undefined_Bond_Stereo_Count	0
44134632	Tautomer_Count	1
165598	Tautomer_Count	2
139061453	Rotatable_Bond_Count	0
135409836	Covalent_Unit_Count	1
12535	Defined_Atom_Stereo_Count	0
79267	Undefined_Bond_Stereo_Count	0
542762	Hydrogen_Bond_Acceptor_Count	2
143321	Rotatable_Bond_Count	0
62531	Defined_Bond_Stereo_Count	0
14644797	Molecular_Weight	115.13
506152	Structure_Complexity	691
77317	Defined_Atom_Stereo_Count	0
16760569	Rotatable_Bond_Count	11
115089	Total_Formal_Charge	0
60152109	Rotatable_Bond_Count	7
6918486	Tautomer_Count	1001
7512	Undefined_Atom_Stereo_Count	0
66644	Defined_Atom_Stereo_Count	0
46853632	Molecular_Weight	451.5
82646	Defined_Atom_Stereo_Count	0
8153	Hydrogen_Bond_Donor_Count	0
66623496	Non-hydrogen_Atom_Count	8
13445116	Hydrogen_Bond_Donor_Count	0
2733526	Structure_Complexity	463
10930422	Total_Formal_Charge	0
135398698	Non-hydrogen_Atom_Count	16
188350	Undefined_Atom_Stereo_Count	0
448374	Mono_Isotopic_Weight	267.09675391
27465	Molecular_Weight	322.0
456389	XLogP3-AA	4.1
10568	Non-hydrogen_Atom_Count	6
61594	Hydrogen_Bond_Acceptor_Count	1
12574	Covalent_Unit_Count	1
54467044	Structure_Complexity	104
53815669	Hydrogen_Bond_Acceptor_Count	2
10912274	Non-hydrogen_Atom_Count	14
123690360	Undefined_Bond_Stereo_Count	0
87186939	Rotatable_Bond_Count	1
9885442	Covalent_Unit_Count	1
58158	Defined_Atom_Stereo_Count	0
11017510	Mono_Isotopic_Weight	610.14628337
88142236	Total_Formal_Charge	0
148184	Undefined_Atom_Stereo_Count	0
70687305	Total_Formal_Charge	0
135512673	Molecular_Weight	822.9
6921800	Defined_Atom_Stereo_Count	2
647	Rotatable_Bond_Count	5
618566	XLogP3-AA	6.6
65091	Tautomer_Count	3
3034010	XLogP3-AA	10
681	Hydrogen_Bond_Donor_Count	3
29976098	Rotatable_Bond_Count	0
565600	Hydrogen_Bond_Acceptor_Count	2
101656013	TPSA	170
6433208	Structure_Complexity	509
76714	TPSA	52
90708518	TPSA	72.8
25954	Hydrogen_Bond_Donor_Count	0
25227436	Defined_Bond_Stereo_Count	0
23269081	XLogP3-AA	2.2
6017	Rotatable_Bond_Count	2
809622	Isotope_Atom_Count	0
86501	Undefined_Atom_Stereo_Count	1
5281607	Rotatable_Bond_Count	1
1100	Rotatable_Bond_Count	0
123982	Hydrogen_Bond_Acceptor_Count	5
10013505	Defined_Bond_Stereo_Count	0
28094582	Structure_Complexity	222
2723610	Exact_Mass	342.11621151
2532	Defined_Bond_Stereo_Count	0
44443939	TPSA	164
9869929	Molecular_Weight	483.9
20387231	Defined_Atom_Stereo_Count	0
53394675	Hydrogen_Bond_Donor_Count	1
44629456	Mono_Isotopic_Weight	734.46906622
4669250	Tautomer_Count	5
15411	Rotatable_Bond_Count	0
7934	XLogP3	1.4
13408391	Structure_Complexity	314
53479	Non-hydrogen_Atom_Count	14
328257	Rotatable_Bond_Count	0
54496446	Undefined_Atom_Stereo_Count	1
9964078	Rotatable_Bond_Count	1
7915	Exact_Mass	102.068079557
441289	Undefined_Atom_Stereo_Count	0
5332	Structure_Complexity	376
53639246	Total_Formal_Charge	0
9266	Undefined_Bond_Stereo_Count	0
1999	Defined_Atom_Stereo_Count	0
9821849	Tautomer_Count	1
140291701	Total_Formal_Charge	0
345901	Undefined_Bond_Stereo_Count	0
82935	Mono_Isotopic_Weight	93.94853
91435393	Hydrogen_Bond_Donor_Count	2
135779804	Hydrogen_Bond_Acceptor_Count	5
12630265	Rotatable_Bond_Count	0
5746249	Undefined_Bond_Stereo_Count	0
9579578	Defined_Atom_Stereo_Count	1
129627812	Total_Formal_Charge	0
135410917	Defined_Atom_Stereo_Count	0
138564	Undefined_Bond_Stereo_Count	0
67656913	Isotope_Atom_Count	0
71346048	Hydrogen_Bond_Donor_Count	0
3457331	Undefined_Bond_Stereo_Count	0
3047830	Hydrogen_Bond_Acceptor_Count	3
44468216	Total_Formal_Charge	0
22097456	Total_Formal_Charge	0
101008927	Undefined_Atom_Stereo_Count	1
21800	Undefined_Atom_Stereo_Count	0
10197665	Rotatable_Bond_Count	0
12061944	Non-hydrogen_Atom_Count	8
6918663	Exact_Mass	401.0634615
69293	Defined_Bond_Stereo_Count	0
90693263	XLogP3-AA	1.8
76224067	Isotope_Atom_Count	0
6466	Non-hydrogen_Atom_Count	25
153380590	XLogP3-AA	1.1
44214615	Structure_Complexity	203
53470	Defined_Bond_Stereo_Count	0
320760	Exact_Mass	972.31694049
13437344	Total_Formal_Charge	0
20519788	Covalent_Unit_Count	1
6918852	Hydrogen_Bond_Acceptor_Count	11
155340720	Undefined_Atom_Stereo_Count	2
54332589	Hydrogen_Bond_Acceptor_Count	1
18984686	Mono_Isotopic_Weight	99.032028402
443944	Defined_Atom_Stereo_Count	4
28864	Exact_Mass	338.21066147
11586735	TPSA	54.7
3080653	Undefined_Atom_Stereo_Count	0
16682983	Molecular_Weight	351.75
5748434	TPSA	358
68845	Rotatable_Bond_Count	5
680036	Total_Formal_Charge	0
292659	Undefined_Atom_Stereo_Count	0
8492	Molecular_Weight	172.57
67317342	Isotope_Atom_Count	0
74764517	Undefined_Bond_Stereo_Count	1
60196437	Covalent_Unit_Count	1
136873	Covalent_Unit_Count	1
102678	Total_Formal_Charge	0
15982150	Isotope_Atom_Count	0
439318	Rotatable_Bond_Count	6
45278337	Mono_Isotopic_Weight	421.28983728
13020083	Hydrogen_Bond_Acceptor_Count	10
56840904	Non-hydrogen_Atom_Count	29
546259	Hydrogen_Bond_Acceptor_Count	1
6515535	TPSA	70.9
61444	Hydrogen_Bond_Acceptor_Count	11
6452749	Covalent_Unit_Count	2
21312677	Defined_Bond_Stereo_Count	0
11957725	Undefined_Bond_Stereo_Count	0
449366	Molecular_Weight	501.6
23058060	XLogP3-AA	1.7
11062802	Molecular_Weight	168.28
95850	TPSA	67.8
1009	Defined_Bond_Stereo_Count	0
129851046	Rotatable_Bond_Count	5
8693	Total_Formal_Charge	0
146265392	Undefined_Atom_Stereo_Count	2
53316474	XLogP3-AA	2.8
16664362	Covalent_Unit_Count	1
14194343	Covalent_Unit_Count	1
6918160	Mono_Isotopic_Weight	373.22530847
30140	Defined_Bond_Stereo_Count	0
146367450	Molecular_Weight	284.35
18555	Rotatable_Bond_Count	0
5274271	Undefined_Bond_Stereo_Count	0
34553	XLogP3-AA	5.2
446195	Non-hydrogen_Atom_Count	17
6533629	Molecular_Weight	383.4
598696	Exact_Mass	338.0822054
135492	Total_Formal_Charge	0
59519119	Hydrogen_Bond_Acceptor_Count	1
3793749	Defined_Bond_Stereo_Count	0
76225402	Molecular_Weight	97.12
67248938	Defined_Bond_Stereo_Count	0
9814448	Undefined_Bond_Stereo_Count	0
16498	Non-hydrogen_Atom_Count	11
456	Undefined_Atom_Stereo_Count	0
10731	Non-hydrogen_Atom_Count	15
119097406	Covalent_Unit_Count	1
16049769	Rotatable_Bond_Count	5
118360420	Total_Formal_Charge	0
16990	Mono_Isotopic_Weight	214.886310
9863552	Non-hydrogen_Atom_Count	26
398738	Defined_Atom_Stereo_Count	0
101321425	TPSA	87
10892838	Hydrogen_Bond_Donor_Count	1
2313	Non-hydrogen_Atom_Count	21
13593923	Exact_Mass	110.073164938
36023	Defined_Atom_Stereo_Count	0
802301	Defined_Atom_Stereo_Count	0
21947198	Mono_Isotopic_Weight	195.06604493
59009	Total_Formal_Charge	0
52660	Undefined_Atom_Stereo_Count	3
13315542	Structure_Complexity	78
70690019	Rotatable_Bond_Count	4
3085389	Undefined_Atom_Stereo_Count	1
156588860	Rotatable_Bond_Count	9
14160348	Undefined_Atom_Stereo_Count	0
4747	Defined_Atom_Stereo_Count	0
138106951	Mono_Isotopic_Weight	803.48197664
9230	Mono_Isotopic_Weight	117.057849228
22260381	Hydrogen_Bond_Donor_Count	1
22608833	Exact_Mass	114.9955546
5884	Mono_Isotopic_Weight	745.09110351
79346	XLogP3-AA	0.5
57399909	XLogP3-AA	5.2
122767	Undefined_Atom_Stereo_Count	0
494	Defined_Atom_Stereo_Count	0
2318095	Hydrogen_Bond_Acceptor_Count	3
44119608	Undefined_Atom_Stereo_Count	0
4678317	Hydrogen_Bond_Acceptor_Count	1
3827	TPSA	48.6
208916	Mono_Isotopic_Weight	189.151749610
3518	XLogP3-AA	0.5
6918558	Covalent_Unit_Count	1
7824	Covalent_Unit_Count	1
19920	Covalent_Unit_Count	1
135421783	Total_Formal_Charge	1
102131130	Undefined_Atom_Stereo_Count	1
91849037	Covalent_Unit_Count	1
19220	TPSA	20.3
70590037	Non-hydrogen_Atom_Count	37
59281	Rotatable_Bond_Count	2
9915	Hydrogen_Bond_Acceptor_Count	2
4183883	Defined_Atom_Stereo_Count	0
6436633	Hydrogen_Bond_Donor_Count	0
27387	Non-hydrogen_Atom_Count	21
14792	Mono_Isotopic_Weight	39.9799563
11674	Hydrogen_Bond_Acceptor_Count	2
12713	Undefined_Atom_Stereo_Count	1
5384411	Undefined_Bond_Stereo_Count	0
10398490	Covalent_Unit_Count	1
404289	Defined_Bond_Stereo_Count	0
627386	Molecular_Weight	402.04
28145931	Exact_Mass	388.1553704
6129	Mono_Isotopic_Weight	201.078978594
25058183	Mono_Isotopic_Weight	370.1327168
53298027	XLogP3	2.7
589692	Covalent_Unit_Count	1
6436449	Isotope_Atom_Count	0
12563	Non-hydrogen_Atom_Count	13
66683200	Hydrogen_Bond_Donor_Count	1
71460924	Exact_Mass	525.2030488
6028739	XLogP3-AA	1.2
23677960	Rotatable_Bond_Count	1
12232989	Exact_Mass	97.089149355
10333656	Total_Formal_Charge	0
2431	Hydrogen_Bond_Donor_Count	0
92968	TPSA	113
6917795	Mono_Isotopic_Weight	406.27192431
46964	Defined_Bond_Stereo_Count	0
18726556	Total_Formal_Charge	0
1059	Total_Formal_Charge	0
25522	Defined_Atom_Stereo_Count	3
71309	Undefined_Atom_Stereo_Count	0
102492967	Rotatable_Bond_Count	6
339213	Exact_Mass	314.15180918
489236	Undefined_Atom_Stereo_Count	1
3782034	Isotope_Atom_Count	0
13046623	TPSA	20.2
129486	Hydrogen_Bond_Donor_Count	0
127748	Tautomer_Count	8
26105	Undefined_Atom_Stereo_Count	1
9520	Undefined_Bond_Stereo_Count	0
30550	Molecular_Weight	770.6
14206225	Mono_Isotopic_Weight	100.052429494
12866541	Defined_Atom_Stereo_Count	0
19768189	Exact_Mass	115.063328530
5217	Hydrogen_Bond_Acceptor_Count	6
138440	Molecular_Weight	100.12
13791373	Exact_Mass	111.068413911
447360	XLogP3-AA	2.1
3329	Exact_Mass	285.06709375
444683	Mono_Isotopic_Weight	74.073164938
6398969	Defined_Bond_Stereo_Count	0
225674	Hydrogen_Bond_Donor_Count	1
11546620	Exact_Mass	437.19507097
9304	Structure_Complexity	300
80152	Rotatable_Bond_Count	3
2837	Undefined_Atom_Stereo_Count	5
89143818	Covalent_Unit_Count	1
101194	Molecular_Weight	113.16
53465913	Total_Formal_Charge	0
18726540	Undefined_Atom_Stereo_Count	2
13576	Undefined_Atom_Stereo_Count	0
42609805	Hydrogen_Bond_Acceptor_Count	14
56296	TPSA	165
63400	Non-hydrogen_Atom_Count	24
348253	Rotatable_Bond_Count	2
91758	Molecular_Weight	283.4
69994	Rotatable_Bond_Count	2
76959818	Undefined_Atom_Stereo_Count	0
3340552	Covalent_Unit_Count	1
264852	Rotatable_Bond_Count	2
86929	Total_Formal_Charge	0
70694239	Hydrogen_Bond_Donor_Count	1
11575	Total_Formal_Charge	0
14160348	Defined_Atom_Stereo_Count	0
42105518	Undefined_Atom_Stereo_Count	0
23678874	Tautomer_Count	1
28639	Mono_Isotopic_Weight	114.104465066
8986	Molecular_Weight	329.81
9539	Defined_Atom_Stereo_Count	0
61865004	Mono_Isotopic_Weight	113.084063974
5353422	Rotatable_Bond_Count	8
4591	Undefined_Atom_Stereo_Count	18
81869	Hydrogen_Bond_Donor_Count	0
6504	Structure_Complexity	395
21996	Undefined_Atom_Stereo_Count	1
2267	Defined_Atom_Stereo_Count	0
12842107	Defined_Atom_Stereo_Count	0
21327	Tautomer_Count	1
23568550	Rotatable_Bond_Count	1
5618	Exact_Mass	350.24570956
28187	Defined_Bond_Stereo_Count	0
16837	Rotatable_Bond_Count	4
475825	Defined_Atom_Stereo_Count	3
36565	Defined_Atom_Stereo_Count	0
713762	Undefined_Atom_Stereo_Count	0
984396	Hydrogen_Bond_Donor_Count	2
51346808	XLogP3-AA	3
68958	Hydrogen_Bond_Acceptor_Count	3
706167	Molecular_Weight	325.69
88564905	Structure_Complexity	83.8
20591068	XLogP3-AA	1.8
12658877	TPSA	9.2
292661	Hydrogen_Bond_Donor_Count	3
40894	Isotope_Atom_Count	0
543880	Molecular_Weight	100.16
125127453	Covalent_Unit_Count	1
11749858	Exact_Mass	397.16377084
24812	Hydrogen_Bond_Donor_Count	0
73648	Structure_Complexity	565
237873	Defined_Bond_Stereo_Count	0
5384200	Undefined_Atom_Stereo_Count	0
95400	Covalent_Unit_Count	1
9613	Non-hydrogen_Atom_Count	8
70977832	Mono_Isotopic_Weight	112.088815002
119095779	Defined_Bond_Stereo_Count	0
289149	Undefined_Bond_Stereo_Count	0
98044588	Defined_Bond_Stereo_Count	0
21989159	Rotatable_Bond_Count	20
18743	Undefined_Atom_Stereo_Count	0
1382043	Mono_Isotopic_Weight	107.048347172
129628904	Defined_Bond_Stereo_Count	0
41017	Molecular_Weight	211.5
10299410	Defined_Bond_Stereo_Count	0
14373	Total_Formal_Charge	0
104143	Undefined_Bond_Stereo_Count	0
4590704	Non-hydrogen_Atom_Count	14
7157007	Covalent_Unit_Count	1
23663939	Hydrogen_Bond_Donor_Count	4
8418	Mono_Isotopic_Weight	178.078250319
69885	Hydrogen_Bond_Donor_Count	0
46884664	Hydrogen_Bond_Acceptor_Count	7
164930	Hydrogen_Bond_Donor_Count	0
54087622	Structure_Complexity	94.4
5257127	Defined_Bond_Stereo_Count	0
23576	Non-hydrogen_Atom_Count	26
10472	Tautomer_Count	1
20147457	Rotatable_Bond_Count	0
12358803	Hydrogen_Bond_Acceptor_Count	2
2392	TPSA	84.1
15758	Total_Formal_Charge	0
13040867	Defined_Atom_Stereo_Count	0
7658	Hydrogen_Bond_Acceptor_Count	2
92231	Exact_Mass	220.182715385
135409548	Exact_Mass	327.09675391
123070	Mono_Isotopic_Weight	20.0564071114
53426560	Defined_Bond_Stereo_Count	0
5282944	Defined_Atom_Stereo_Count	0
12303047	Total_Formal_Charge	0
3081907	Non-hydrogen_Atom_Count	73
3872	Isotope_Atom_Count	0
23674098	Undefined_Bond_Stereo_Count	0
1268142	Defined_Atom_Stereo_Count	3
23324969	Hydrogen_Bond_Acceptor_Count	0
102959	Molecular_Weight	182.17
71437196	Exact_Mass	470.19162313
656598	XLogP3	1.8
887830	Rotatable_Bond_Count	3
69396	Mono_Isotopic_Weight	117.078978594
224753	Defined_Atom_Stereo_Count	0
93251	Hydrogen_Bond_Donor_Count	0
518740	Total_Formal_Charge	0
18818	Hydrogen_Bond_Donor_Count	0
6437731	Hydrogen_Bond_Acceptor_Count	3
129600762	TPSA	190
11159621	Tautomer_Count	23
283654	Tautomer_Count	3
42602097	XLogP3-AA	2.8
23662871	Mono_Isotopic_Weight	492.01742078
62706165	Structure_Complexity	822
163640634	Molecular_Weight	114.15
84098	Defined_Atom_Stereo_Count	0
68903	Defined_Bond_Stereo_Count	0
67465	TPSA	28.7
71215	Exact_Mass	475.909940
57394197	Undefined_Atom_Stereo_Count	0
14283774	Isotope_Atom_Count	0
60196409	Molecular_Weight	548.0
12160932	Defined_Atom_Stereo_Count	0
86747	Non-hydrogen_Atom_Count	30
21991095	Covalent_Unit_Count	1
441344	Defined_Bond_Stereo_Count	0
25168854	Mono_Isotopic_Weight	253.02146
129821598	Molecular_Weight	167.25
40512	XLogP3-AA	2
13885286	TPSA	101
704233	Undefined_Atom_Stereo_Count	0
9862634	Rotatable_Bond_Count	0
12253800	Molecular_Weight	116.16
33344	Rotatable_Bond_Count	0
10597	Rotatable_Bond_Count	0
59703148	Non-hydrogen_Atom_Count	8
10341154	Undefined_Bond_Stereo_Count	0
450484	Undefined_Atom_Stereo_Count	0
36846	Mono_Isotopic_Weight	319.157228913
60285	Covalent_Unit_Count	1
89416	Hydrogen_Bond_Acceptor_Count	1
123963	Exact_Mass	204.089877630
19809513	Structure_Complexity	104
934	Exact_Mass	57.935342
291703	Defined_Bond_Stereo_Count	0
104930	Undefined_Atom_Stereo_Count	0
524674	Undefined_Atom_Stereo_Count	2
25011	TPSA	18.5
58655	Hydrogen_Bond_Donor_Count	4
25904	Covalent_Unit_Count	1
713762	Defined_Atom_Stereo_Count	0
6384	Molecular_Weight	148.91
16051969	TPSA	526
268370	Molecular_Weight	324.4
5464436	Exact_Mass	389.14993230
705472	Exact_Mass	326.07903816
5311169	Hydrogen_Bond_Donor_Count	16
13570516	XLogP3-AA	1.4
11072675	Defined_Bond_Stereo_Count	0
14045186	Non-hydrogen_Atom_Count	8
13007516	Defined_Atom_Stereo_Count	0
21365956	Structure_Complexity	364
65211	Molecular_Weight	443.6
14796866	Defined_Atom_Stereo_Count	0
97724	Non-hydrogen_Atom_Count	11
101627	TPSA	87
44190553	Molecular_Weight	280.37
5388906	Rotatable_Bond_Count	8
129853561	Total_Formal_Charge	0
12769	Non-hydrogen_Atom_Count	10
90863456	XLogP3-AA	2.8
37865	Total_Formal_Charge	0
97780	Structure_Complexity	164
152204	Exact_Mass	161.06880783
465951	Rotatable_Bond_Count	4
9964	TPSA	26
103687	Undefined_Atom_Stereo_Count	1
82752	Hydrogen_Bond_Donor_Count	0
40466954	Total_Formal_Charge	1
667498	XLogP3	0.7
20849290	Undefined_Bond_Stereo_Count	0
4283516	Molecular_Weight	665.7
10256668	Non-hydrogen_Atom_Count	40
1810216	Defined_Atom_Stereo_Count	0
9904	Non-hydrogen_Atom_Count	20
445694	Hydrogen_Bond_Acceptor_Count	2
1268111	Rotatable_Bond_Count	4
89629295	Hydrogen_Bond_Acceptor_Count	2
63952	TPSA	90.8
635	Hydrogen_Bond_Donor_Count	4
903738	Isotope_Atom_Count	0
90905460	XLogP3-AA	0.8
4327536	Total_Formal_Charge	0
14417041	Undefined_Atom_Stereo_Count	1
22274936	Defined_Bond_Stereo_Count	0
297691	Mono_Isotopic_Weight	335.9778561
23647685	Defined_Bond_Stereo_Count	0
71517697	Covalent_Unit_Count	1
139383946	Isotope_Atom_Count	0
2762647	Rotatable_Bond_Count	1
13487238	Rotatable_Bond_Count	0
23662264	Defined_Atom_Stereo_Count	0
116489251	Hydrogen_Bond_Donor_Count	1
12478167	Rotatable_Bond_Count	2
11932	Defined_Bond_Stereo_Count	0
6128	Rotatable_Bond_Count	0
57053600	Isotope_Atom_Count	0
5360970	Defined_Atom_Stereo_Count	6
11212948	Exact_Mass	444.06121838
93923	Structure_Complexity	765
96796	Molecular_Weight	160.17
11388	Total_Formal_Charge	0
39897	Molecular_Weight	475.5
6603945	Molecular_Weight	220.25
66663660	Total_Formal_Charge	0
99049	Defined_Atom_Stereo_Count	0
27236	Undefined_Bond_Stereo_Count	0
3031	Hydrogen_Bond_Acceptor_Count	1
41733	Undefined_Atom_Stereo_Count	1
11789150	Total_Formal_Charge	0
76497	Defined_Bond_Stereo_Count	0
3084091	Defined_Atom_Stereo_Count	12
71429293	Hydrogen_Bond_Donor_Count	1
7844	Hydrogen_Bond_Acceptor_Count	0
129851390	Isotope_Atom_Count	0
53297383	XLogP3	3.2
74839	Structure_Complexity	234
8870	Structure_Complexity	46.1
147226284	Non-hydrogen_Atom_Count	8
5311066	Exact_Mass	416.21988874
71643	TPSA	32.6
91604	Undefined_Atom_Stereo_Count	1
3678	Non-hydrogen_Atom_Count	21
18738120	Tautomer_Count	2
9929430	Total_Formal_Charge	0
5736	Molecular_Weight	331.9
44455116	Non-hydrogen_Atom_Count	26
18591	Molecular_Weight	128.25
4284331	Rotatable_Bond_Count	3
4320774	XLogP3-AA	3.1
7259	Exact_Mass	121.089149355
3348	Undefined_Bond_Stereo_Count	0
85944	Non-hydrogen_Atom_Count	11
123332	Covalent_Unit_Count	1
72200850	XLogP3-AA	4.6
123776311	Structure_Complexity	150
20838085	Covalent_Unit_Count	2
93290	Total_Formal_Charge	0
76206	Molecular_Weight	134.56
232446	TPSA	40.5
78486	Undefined_Bond_Stereo_Count	0
398678	Defined_Atom_Stereo_Count	1
11281011	Isotope_Atom_Count	0
13327310	XLogP3-AA	0.2
3236	Mono_Isotopic_Weight	259.193614421
6921705	Rotatable_Bond_Count	2
25162926	Covalent_Unit_Count	2
3839223	TPSA	60.4
28346	Hydrogen_Bond_Donor_Count	1
12358890	Rotatable_Bond_Count	8
71311389	Defined_Bond_Stereo_Count	0
5709	Covalent_Unit_Count	1
13543206	Non-hydrogen_Atom_Count	6
91465	Rotatable_Bond_Count	5
6422124	XLogP3-AA	2.5
57257887	Total_Formal_Charge	0
11457	Molecular_Weight	202.01
632910	Hydrogen_Bond_Acceptor_Count	1
543881	Hydrogen_Bond_Acceptor_Count	1
118984450	Undefined_Atom_Stereo_Count	0
130029088	Defined_Bond_Stereo_Count	0
8422	Defined_Bond_Stereo_Count	0
57254473	Hydrogen_Bond_Donor_Count	0
68739990	Undefined_Atom_Stereo_Count	0
66491	Undefined_Bond_Stereo_Count	0
447377	Hydrogen_Bond_Acceptor_Count	13
96034	Molecular_Weight	99.17
70412	Structure_Complexity	377
994871	Non-hydrogen_Atom_Count	37
15032818	Mono_Isotopic_Weight	106.078250319
18593	TPSA	60.2
10218	TPSA	63.2
3894848	Covalent_Unit_Count	1
62474	Covalent_Unit_Count	1
228490	TPSA	58.9
360081	Isotope_Atom_Count	0
6324671	Hydrogen_Bond_Acceptor_Count	12
80668	Total_Formal_Charge	0
13511345	Hydrogen_Bond_Donor_Count	0
122553	XLogP3-AA	2.7
51380890	Molecular_Weight	275.73
66663	Rotatable_Bond_Count	8
13032471	Covalent_Unit_Count	1
60160561	Undefined_Bond_Stereo_Count	0
45791267	Defined_Bond_Stereo_Count	0
58143028	XLogP3-AA	1.2
24228	Exact_Mass	289.07389321
2776	Hydrogen_Bond_Acceptor_Count	4
569599	TPSA	79.5
1353	Hydrogen_Bond_Acceptor_Count	3
2754342	Rotatable_Bond_Count	7
15559221	XLogP3-AA	2.7
72200670	Defined_Atom_Stereo_Count	2
118585331	Defined_Bond_Stereo_Count	0
12248569	XLogP3-AA	0.9
8863	Isotope_Atom_Count	0
16211214	Hydrogen_Bond_Acceptor_Count	17
20276	TPSA	0
350445	Exact_Mass	98.048012819
17390	Mono_Isotopic_Weight	221.141578849
6918386	TPSA	109
6436143	Exact_Mass	1578.658339
14510872	Hydrogen_Bond_Acceptor_Count	2
6273	Rotatable_Bond_Count	4
53319417	Hydrogen_Bond_Acceptor_Count	5
20524	Exact_Mass	118.099379685
128815	Covalent_Unit_Count	1
5368831	Tautomer_Count	1
3457331	Defined_Atom_Stereo_Count	0
14010989	Isotope_Atom_Count	0
66604	Mono_Isotopic_Weight	207.9330139
99306	XLogP3-AA	6.1
4339626	Total_Formal_Charge	0
517273	Defined_Atom_Stereo_Count	0
146472812	Mono_Isotopic_Weight	486.0841144
18517118	Hydrogen_Bond_Donor_Count	1
9953630	Hydrogen_Bond_Acceptor_Count	9
21265	Undefined_Atom_Stereo_Count	0
118437609	TPSA	41.6
66376	Non-hydrogen_Atom_Count	1
91754428	Undefined_Atom_Stereo_Count	1
5283741	Mono_Isotopic_Weight	416.32904526
16139605	Molecular_Weight	3752.1
31917	Defined_Atom_Stereo_Count	0
13081559	Hydrogen_Bond_Acceptor_Count	2
20769606	Exact_Mass	114.068079557
318232	Isotope_Atom_Count	0
21613900	Exact_Mass	111.043261792
91471800	TPSA	56.2
60919	Isotope_Atom_Count	0
57572416	Hydrogen_Bond_Donor_Count	4
19892314	Defined_Bond_Stereo_Count	0
44629596	Hydrogen_Bond_Acceptor_Count	4
5462099	Tautomer_Count	1
89233	Covalent_Unit_Count	1
104802	TPSA	223
118210452	Isotope_Atom_Count	0
37873	Molecular_Weight	88.06
23663964	Isotope_Atom_Count	0
40652	TPSA	65.1
134976	Hydrogen_Bond_Acceptor_Count	4
54690031	Hydrogen_Bond_Acceptor_Count	7
135779828	Covalent_Unit_Count	1
7663	Hydrogen_Bond_Donor_Count	0
53472683	TPSA	117
6178111	Undefined_Bond_Stereo_Count	0
46216142	Tautomer_Count	2
6544	Isotope_Atom_Count	0
700611	Structure_Complexity	326
22463764	Rotatable_Bond_Count	1
126627233	Structure_Complexity	62.5
73877	TPSA	20.2
139060478	Molecular_Weight	583.0
56658436	Defined_Atom_Stereo_Count	0
8906	XLogP3	7.2
10960	Defined_Bond_Stereo_Count	0
13853	Defined_Bond_Stereo_Count	0
101534	Undefined_Atom_Stereo_Count	1
15589	Rotatable_Bond_Count	2
53476	Mono_Isotopic_Weight	249.9799641
16363	Isotope_Atom_Count	0
398597	Rotatable_Bond_Count	7
6971018	TPSA	67.8
57572	Undefined_Bond_Stereo_Count	0
163548545	Non-hydrogen_Atom_Count	8
3047803	Defined_Atom_Stereo_Count	2
9820186	Structure_Complexity	484
11346811	Non-hydrogen_Atom_Count	19
390986	Defined_Atom_Stereo_Count	0
60209141	Isotope_Atom_Count	0
16211656	Mono_Isotopic_Weight	235.9804853
3074827	Non-hydrogen_Atom_Count	18
55287240	Defined_Atom_Stereo_Count	0
90730816	Defined_Atom_Stereo_Count	0
67512	Molecular_Weight	112.17
20753138	Hydrogen_Bond_Acceptor_Count	0
16224058	Undefined_Atom_Stereo_Count	0
161973	Structure_Complexity	257
16311605	Defined_Bond_Stereo_Count	0
5464186	Defined_Bond_Stereo_Count	0
18442682	Mono_Isotopic_Weight	113.084063974
136122	Tautomer_Count	1
13348970	Isotope_Atom_Count	0
23706211	Defined_Bond_Stereo_Count	0
62306	Molecular_Weight	260.11
70400351	Non-hydrogen_Atom_Count	7
6852393	Molecular_Weight	272.4
36513	Total_Formal_Charge	0
57061642	Molecular_Weight	103.08
58044790	Exact_Mass	108.068748264
3246941	Mono_Isotopic_Weight	297.19400834
2778339	Undefined_Atom_Stereo_Count	0
9826520	Undefined_Bond_Stereo_Count	0
6951129	Exact_Mass	165.115364102
165295	Rotatable_Bond_Count	3
75903	Molecular_Weight	330.3
517859	Non-hydrogen_Atom_Count	8
102503760	TPSA	231
21805653	Structure_Complexity	72.9
86929	Hydrogen_Bond_Donor_Count	0
13115325	Hydrogen_Bond_Acceptor_Count	0
20055482	Undefined_Atom_Stereo_Count	0
3033673	Hydrogen_Bond_Donor_Count	2
131238	Total_Formal_Charge	0
2117002	Total_Formal_Charge	0
13190463	Total_Formal_Charge	0
47328	Defined_Bond_Stereo_Count	0
9821383	Mono_Isotopic_Weight	383.20563565
12734	Defined_Atom_Stereo_Count	0
66764350	Total_Formal_Charge	0
65947	Exact_Mass	461.10568470
9964188	Undefined_Atom_Stereo_Count	2
9994296	Undefined_Bond_Stereo_Count	0
35901875	Rotatable_Bond_Count	3
14909248	Mono_Isotopic_Weight	114.104465066
455579	Molecular_Weight	367.5
54255838	Total_Formal_Charge	0
68066	Total_Formal_Charge	0
347590	XLogP3	2.4
18789128	Exact_Mass	101.047678466
11500877	Defined_Atom_Stereo_Count	0
121275199	Defined_Bond_Stereo_Count	0
11600	Structure_Complexity	48.4
6857474	Hydrogen_Bond_Donor_Count	2
90990	Hydrogen_Bond_Donor_Count	0
6324604	Molecular_Weight	458.0
10130270	TPSA	20.2
3990	Non-hydrogen_Atom_Count	31
1422	Defined_Atom_Stereo_Count	0
54394834	Rotatable_Bond_Count	7
1004	Mono_Isotopic_Weight	97.97689557
21328181	Undefined_Atom_Stereo_Count	2
6433107	Isotope_Atom_Count	0
564996	Hydrogen_Bond_Donor_Count	0
6927	Hydrogen_Bond_Acceptor_Count	5
137212229	Defined_Bond_Stereo_Count	0
46570	Covalent_Unit_Count	1
154549233	Hydrogen_Bond_Donor_Count	0
51399572	Undefined_Bond_Stereo_Count	0
736366	Defined_Bond_Stereo_Count	0
23925	Exact_Mass	55.934936
135413540	Undefined_Bond_Stereo_Count	0
52950901	Isotope_Atom_Count	1
188414	Rotatable_Bond_Count	2
11356036	Hydrogen_Bond_Donor_Count	0
200	Tautomer_Count	5
6328154	Defined_Atom_Stereo_Count	0
13165124	Total_Formal_Charge	0
6321405	Defined_Bond_Stereo_Count	0
30487	Defined_Bond_Stereo_Count	0
132596289	Total_Formal_Charge	0
166486721	Structure_Complexity	121
3763	Mono_Isotopic_Weight	183.9714332
54676715	Non-hydrogen_Atom_Count	18
18356755	Defined_Atom_Stereo_Count	0
446845	Hydrogen_Bond_Donor_Count	1
24771777	Hydrogen_Bond_Donor_Count	1
138539	Rotatable_Bond_Count	1
9012	Molecular_Weight	246.4
139042762	Defined_Bond_Stereo_Count	0
51629	Isotope_Atom_Count	0
378309	XLogP3-AA	2.3
259821	Undefined_Atom_Stereo_Count	0
137071	Tautomer_Count	2
2762834	Defined_Bond_Stereo_Count	0
18622368	Non-hydrogen_Atom_Count	8
4059	Non-hydrogen_Atom_Count	13
242426	Isotope_Atom_Count	0
43558819	Structure_Complexity	122
6327109	Undefined_Atom_Stereo_Count	0
731361	Rotatable_Bond_Count	5
71462510	Rotatable_Bond_Count	2
19910037	Undefined_Bond_Stereo_Count	0
38642	Defined_Bond_Stereo_Count	0
10171288	Isotope_Atom_Count	0
124222418	Covalent_Unit_Count	1
59750537	Molecular_Weight	83.13
123297087	Rotatable_Bond_Count	0
58247512	Covalent_Unit_Count	1
8282	Hydrogen_Bond_Donor_Count	3
7656	Rotatable_Bond_Count	4
5778	Defined_Atom_Stereo_Count	0
4385988	TPSA	118
33820	Molecular_Weight	321.5
11681509	Covalent_Unit_Count	1
15660	Mono_Isotopic_Weight	210.209598838
118654527	Mono_Isotopic_Weight	284.16237386
22860	Total_Formal_Charge	0
56627	Molecular_Weight	510.3
71616	Undefined_Bond_Stereo_Count	0
38622	Undefined_Atom_Stereo_Count	1
4469994	Hydrogen_Bond_Donor_Count	2
587369	Mono_Isotopic_Weight	402.0149675
6918107	Exact_Mass	319.168462302
8326	Structure_Complexity	291
9823781	Defined_Atom_Stereo_Count	1
10006	Total_Formal_Charge	0
6327594	TPSA	49.9
208947	Mono_Isotopic_Weight	293.152812238
7469	Undefined_Bond_Stereo_Count	0
705715	Structure_Complexity	381
5310957	Total_Formal_Charge	0
441404	Molecular_Weight	412.6
22918788	Non-hydrogen_Atom_Count	6
18850	Molecular_Weight	82.14
394347	Defined_Bond_Stereo_Count	0
10341154	Undefined_Atom_Stereo_Count	0
3033637	Non-hydrogen_Atom_Count	21
722799	Exact_Mass	306.09168915
135747	Undefined_Bond_Stereo_Count	0
1935	Covalent_Unit_Count	1
5362115	Covalent_Unit_Count	2
234237	Isotope_Atom_Count	0
54585737	Total_Formal_Charge	0
4513	Exact_Mass	331.11366728
11907	Isotope_Atom_Count	0
48918	Total_Formal_Charge	0
9989	XLogP3-AA	3.1
72253	Non-hydrogen_Atom_Count	20
17754438	Undefined_Bond_Stereo_Count	0
53346589	Covalent_Unit_Count	1
4412	Mono_Isotopic_Weight	743.07545344
11752	Non-hydrogen_Atom_Count	8
3961	Defined_Atom_Stereo_Count	0
142403638	Defined_Atom_Stereo_Count	0
9953	Rotatable_Bond_Count	3
642799	Undefined_Atom_Stereo_Count	0
2345	TPSA	26.3
101304	XLogP3	1.2
11126175	Structure_Complexity	93.8
102692	TPSA	9.2
9033	Covalent_Unit_Count	1
24987	Hydrogen_Bond_Donor_Count	0
22725651	Isotope_Atom_Count	0
102262612	Structure_Complexity	514
12721	Undefined_Bond_Stereo_Count	1
16736529	Defined_Bond_Stereo_Count	0
61274	Defined_Atom_Stereo_Count	0
2375	Defined_Bond_Stereo_Count	0
12116	Structure_Complexity	193
107994	Structure_Complexity	619
129662960	Structure_Complexity	275
12541	Hydrogen_Bond_Acceptor_Count	5
16659841	Hydrogen_Bond_Donor_Count	3
590845	Mono_Isotopic_Weight	277.10266837
542420	TPSA	38
17769889	Molecular_Weight	100.16
16219676	Tautomer_Count	6
688044	Hydrogen_Bond_Acceptor_Count	2
577022	Hydrogen_Bond_Donor_Count	1
43471	Non-hydrogen_Atom_Count	12
6296	Defined_Atom_Stereo_Count	0
23730921	XLogP3-AA	0.3
134506	Exact_Mass	288.208930132
94176	Hydrogen_Bond_Acceptor_Count	4
42254	Isotope_Atom_Count	0
76118878	Structure_Complexity	127
40813	Mono_Isotopic_Weight	272.09094026
44454958	Defined_Atom_Stereo_Count	1
20903	Exact_Mass	126.068079557
32049	Covalent_Unit_Count	1
50925625	Undefined_Bond_Stereo_Count	0
542381	Hydrogen_Bond_Donor_Count	1
6946	Hydrogen_Bond_Acceptor_Count	3
23516057	Defined_Atom_Stereo_Count	0
129720561	Structure_Complexity	102
57752105	Rotatable_Bond_Count	7
13696436	Rotatable_Bond_Count	2
2734931	Rotatable_Bond_Count	2
86446	Molecular_Weight	282.36
2756808	Rotatable_Bond_Count	2
44249711	Defined_Atom_Stereo_Count	0
8659	TPSA	55
521863	Total_Formal_Charge	0
89651175	Defined_Atom_Stereo_Count	0
13842461	Hydrogen_Bond_Donor_Count	3
24746982	Defined_Bond_Stereo_Count	0
78858	Defined_Bond_Stereo_Count	0
102286157	Structure_Complexity	333
68321874	Exact_Mass	335.16337692
77987229	Covalent_Unit_Count	1
107807	Undefined_Bond_Stereo_Count	0
13601826	Structure_Complexity	50.1
5057599	TPSA	230
15906386	Undefined_Bond_Stereo_Count	0
60195903	Covalent_Unit_Count	1
22731481	Molecular_Weight	118.10
17858	Undefined_Bond_Stereo_Count	0
129012189	Rotatable_Bond_Count	7
240	Defined_Bond_Stereo_Count	0
12732837	Structure_Complexity	162
10341154	Defined_Atom_Stereo_Count	0
5702096	Defined_Atom_Stereo_Count	3
163143	Undefined_Bond_Stereo_Count	0
13334205	Covalent_Unit_Count	1
139033724	Defined_Atom_Stereo_Count	31
15951509	Total_Formal_Charge	0
66811197	Defined_Atom_Stereo_Count	0
10184937	Rotatable_Bond_Count	8
13005	Mono_Isotopic_Weight	112.052429494
79856	Total_Formal_Charge	0
285118	Hydrogen_Bond_Acceptor_Count	4
622688	Undefined_Bond_Stereo_Count	0
15294	Mono_Isotopic_Weight	164.047344113
53903478	Rotatable_Bond_Count	1
61057	Non-hydrogen_Atom_Count	13
75777	Hydrogen_Bond_Donor_Count	0
10125048	Hydrogen_Bond_Donor_Count	2
681	Defined_Bond_Stereo_Count	0
9795434	Molecular_Weight	270.35
11263488	Undefined_Bond_Stereo_Count	0
22967031	Isotope_Atom_Count	0
5281243	Structure_Complexity	1270
44280082	TPSA	71.5
5469318	Covalent_Unit_Count	1
69885	Non-hydrogen_Atom_Count	13
15279	Molecular_Weight	207.23
60196431	Non-hydrogen_Atom_Count	23
442428	Isotope_Atom_Count	0
136430	TPSA	24.1
101870	Hydrogen_Bond_Donor_Count	0
24705318	Molecular_Weight	113.16
62403	Hydrogen_Bond_Donor_Count	15
104955	Tautomer_Count	1
9574101	Undefined_Bond_Stereo_Count	0
53977611	Exact_Mass	102.068079557
623849	Isotope_Atom_Count	0
192706	Non-hydrogen_Atom_Count	25
10197643	Total_Formal_Charge	0
72200930	Defined_Bond_Stereo_Count	0
57475673	Molecular_Weight	125.4
61370	Exact_Mass	100.088815002
112039	Isotope_Atom_Count	0
11455973	Structure_Complexity	839
71391652	TPSA	35.5
26423	Exact_Mass	319.925559
46244453	Molecular_Weight	412.5
95497	Non-hydrogen_Atom_Count	7
20387241	Defined_Atom_Stereo_Count	0
640	Defined_Atom_Stereo_Count	0
285285	Exact_Mass	377.047153
10469079	Defined_Bond_Stereo_Count	0
84703	Rotatable_Bond_Count	14
95197	Hydrogen_Bond_Acceptor_Count	0
987	Structure_Complexity	427
43493	Undefined_Bond_Stereo_Count	1
22184652	Rotatable_Bond_Count	5
73662	Hydrogen_Bond_Acceptor_Count	9
4246	Rotatable_Bond_Count	0
8388	Covalent_Unit_Count	1
5281417	Defined_Atom_Stereo_Count	5
296732	Rotatable_Bond_Count	2
16247	Undefined_Atom_Stereo_Count	0
140359629	Defined_Atom_Stereo_Count	0
61057	Exact_Mass	184.182715385
61013	Defined_Bond_Stereo_Count	0
104741	Rotatable_Bond_Count	14
32040	Covalent_Unit_Count	1
4917	Rotatable_Bond_Count	4
519726	Exact_Mass	111.079647300
137643	Undefined_Atom_Stereo_Count	0
6956382	Mono_Isotopic_Weight	377.15013216
11552706	Defined_Bond_Stereo_Count	0
375912	Rotatable_Bond_Count	1
11585872	Hydrogen_Bond_Acceptor_Count	2
57370827	Molecular_Weight	112.08
90657410	Covalent_Unit_Count	1
56680337	Hydrogen_Bond_Acceptor_Count	8
54316592	Non-hydrogen_Atom_Count	8
14653	Molecular_Weight	288.74
100	Structure_Complexity	1240
3042	Molecular_Weight	309.5
6553	Non-hydrogen_Atom_Count	5
133620	Structure_Complexity	275
23354329	Non-hydrogen_Atom_Count	8
79856	Mono_Isotopic_Weight	166.062994177
141080616	Total_Formal_Charge	0
79332	Undefined_Bond_Stereo_Count	0
14270	Total_Formal_Charge	0
60196430	Total_Formal_Charge	0
31312	Structure_Complexity	880
12500872	Isotope_Atom_Count	0
17525	Defined_Atom_Stereo_Count	0
9870009	Mono_Isotopic_Weight	485.1928781
196879	Undefined_Bond_Stereo_Count	0
446541	Total_Formal_Charge	0
160944	Defined_Bond_Stereo_Count	0
132277953	Non-hydrogen_Atom_Count	20
91805	Rotatable_Bond_Count	1
52942581	Hydrogen_Bond_Acceptor_Count	3
79003661	Non-hydrogen_Atom_Count	8
68953	Rotatable_Bond_Count	1
10753311	Defined_Bond_Stereo_Count	0
77195	Structure_Complexity	46.1
62309	Defined_Bond_Stereo_Count	0
3230	Total_Formal_Charge	0
85576	TPSA	33
10689555	Isotope_Atom_Count	0
138477	Exact_Mass	146.059246208
522216	Isotope_Atom_Count	0
86632359	Hydrogen_Bond_Donor_Count	0
23985	TPSA	0
44526	Hydrogen_Bond_Donor_Count	0
5353355	Non-hydrogen_Atom_Count	23
4653	Molecular_Weight	139.17
12004418	Exact_Mass	293.12766012
62551	Defined_Atom_Stereo_Count	0
9847219	Structure_Complexity	727
13388323	Defined_Atom_Stereo_Count	0
42623223	Total_Formal_Charge	0
2723790	Molecular_Weight	76.12
12028	Defined_Bond_Stereo_Count	0
5886	Covalent_Unit_Count	1
13418379	Non-hydrogen_Atom_Count	8
88093945	Non-hydrogen_Atom_Count	30
54359	Mono_Isotopic_Weight	370.204513457
20680	Exact_Mass	130.110613074
439215	Exact_Mass	194.04265265
10082421	Rotatable_Bond_Count	7
13702293	XLogP3-AA	0.2
6397	Rotatable_Bond_Count	0
4247	Isotope_Atom_Count	0
59174488	Exact_Mass	423.17066774
141603887	Undefined_Bond_Stereo_Count	0
15016062	Exact_Mass	278.14528450
14975831	Structure_Complexity	16.4
9826520	Undefined_Atom_Stereo_Count	0
99129	XLogP3-AA	0.1
3611392	Defined_Atom_Stereo_Count	0
11748	Undefined_Bond_Stereo_Count	0
9839657	Rotatable_Bond_Count	3
11387409	Mono_Isotopic_Weight	514.9921034
10236005	Defined_Atom_Stereo_Count	1
6453497	Molecular_Weight	329.8
3824	Covalent_Unit_Count	1
88283211	Defined_Atom_Stereo_Count	0
5281071	Rotatable_Bond_Count	5
5376	Mono_Isotopic_Weight	371.224914549
61196	Structure_Complexity	164
438424	Structure_Complexity	571
81531	Rotatable_Bond_Count	3
3073	Hydrogen_Bond_Acceptor_Count	3
33400	Exact_Mass	343.036958
7643	Hydrogen_Bond_Acceptor_Count	2
6590	Mono_Isotopic_Weight	88.052429494
53346603	Isotope_Atom_Count	0
12394845	Mono_Isotopic_Weight	108.093900383
986	TPSA	389
6195	TPSA	17.1
13757192	Non-hydrogen_Atom_Count	8
91196148	Structure_Complexity	2330
13020083	Isotope_Atom_Count	0
8276	Defined_Atom_Stereo_Count	0
157882	Hydrogen_Bond_Donor_Count	1
4143	Structure_Complexity	552
138813	Molecular_Weight	96.13
24901351	Isotope_Atom_Count	0
131443	Defined_Bond_Stereo_Count	0
698716	Undefined_Bond_Stereo_Count	0
98627	Total_Formal_Charge	0
54193461	Hydrogen_Bond_Donor_Count	0
54677674	Rotatable_Bond_Count	6
5167	Covalent_Unit_Count	1
14866914	Non-hydrogen_Atom_Count	7
13661819	Exact_Mass	98.073164938
5281517	Exact_Mass	204.187800766
81056	Rotatable_Bond_Count	0
12540922	Exact_Mass	112.088815002
147630	Tautomer_Count	1
156588151	Isotope_Atom_Count	0
9833407	Defined_Atom_Stereo_Count	7
135410702	Hydrogen_Bond_Acceptor_Count	10
3083346	Mono_Isotopic_Weight	335.15801676
10715	Hydrogen_Bond_Donor_Count	2
441	Hydrogen_Bond_Acceptor_Count	3
14449398	Exact_Mass	116.01860440
4133	TPSA	46.5
11256720	Total_Formal_Charge	0
7833	Undefined_Bond_Stereo_Count	0
71358911	Isotope_Atom_Count	0
96335	Defined_Atom_Stereo_Count	0
69332494	Undefined_Atom_Stereo_Count	0
757	Hydrogen_Bond_Donor_Count	2
76964745	Structure_Complexity	410
3381	Defined_Bond_Stereo_Count	0
268488	TPSA	92.4
8	Undefined_Bond_Stereo_Count	0
10606713	Isotope_Atom_Count	0
572852	Tautomer_Count	3
9616	Rotatable_Bond_Count	7
1486	Covalent_Unit_Count	1
13653621	Undefined_Atom_Stereo_Count	2
12248306	Rotatable_Bond_Count	3
3081361	Undefined_Bond_Stereo_Count	0
3595299	Mono_Isotopic_Weight	117.042593085
3086677	Covalent_Unit_Count	1
3831985	Exact_Mass	440.23583084
12407	Tautomer_Count	1
447966	Undefined_Atom_Stereo_Count	0
16412	Undefined_Bond_Stereo_Count	0
85539715	Covalent_Unit_Count	1
288549	TPSA	55.4
669846	Undefined_Atom_Stereo_Count	0
58093	Defined_Bond_Stereo_Count	0
20395	Rotatable_Bond_Count	8
18006111	Molecular_Weight	103.12
53407792	Rotatable_Bond_Count	0
18430688	Exact_Mass	108.057514874
4469994	Hydrogen_Bond_Acceptor_Count	5
5284443	Hydrogen_Bond_Donor_Count	4
16220118	Hydrogen_Bond_Acceptor_Count	3
520455	Hydrogen_Bond_Donor_Count	0
13662384	Hydrogen_Bond_Donor_Count	1
210172	Mono_Isotopic_Weight	457.1898973
1095	Defined_Bond_Stereo_Count	0
6450	TPSA	92.2
449355	Non-hydrogen_Atom_Count	44
566503	Defined_Atom_Stereo_Count	0
19829703	Structure_Complexity	78.9
60196275	Hydrogen_Bond_Donor_Count	1
6454737	Isotope_Atom_Count	0
5360349	Non-hydrogen_Atom_Count	11
7500	Total_Formal_Charge	0
5547	Mono_Isotopic_Weight	478.34469533
11673148	Total_Formal_Charge	0
87490405	Non-hydrogen_Atom_Count	8
71718453	Non-hydrogen_Atom_Count	23
13858	Molecular_Weight	109.13
24825261	Mono_Isotopic_Weight	545.12659777
22947120	Defined_Bond_Stereo_Count	0
518516	Defined_Bond_Stereo_Count	0
91596	Tautomer_Count	2
89790337	Undefined_Atom_Stereo_Count	2
52945794	Undefined_Bond_Stereo_Count	1
328561	Rotatable_Bond_Count	1
31251	Hydrogen_Bond_Donor_Count	0
8929	Hydrogen_Bond_Donor_Count	0
12378	Undefined_Atom_Stereo_Count	0
23989	Hydrogen_Bond_Donor_Count	0
84166	Hydrogen_Bond_Donor_Count	0
15721166	Non-hydrogen_Atom_Count	8
517922	Total_Formal_Charge	0
56626368	Rotatable_Bond_Count	2
129	XLogP3-AA	1.3
96269	Hydrogen_Bond_Donor_Count	0
82718176	Molecular_Weight	116.16
11344000	XLogP3-AA	0.7
5695	Molecular_Weight	643.4
162246	XLogP3-AA	4.7
91532137	Undefined_Bond_Stereo_Count	0
9797657	Exact_Mass	295.11839862
3939	Structure_Complexity	2
129744573	Undefined_Bond_Stereo_Count	0
9356	Covalent_Unit_Count	1
123612613	Non-hydrogen_Atom_Count	8
68944676	Covalent_Unit_Count	1
118209838	Isotope_Atom_Count	0
208954	TPSA	78.3
6951123	Non-hydrogen_Atom_Count	10
97497	Defined_Atom_Stereo_Count	0
59453356	Molecular_Weight	111.10
57249823	Hydrogen_Bond_Donor_Count	0
5367412	Structure_Complexity	129
12207545	Undefined_Atom_Stereo_Count	0
6432517	Structure_Complexity	500
3300	Covalent_Unit_Count	1
38013	XLogP3	7.2
16065391	Structure_Complexity	629
530132	Mono_Isotopic_Weight	217.092290636
95005	Undefined_Atom_Stereo_Count	0
43517	Mono_Isotopic_Weight	301.11365002
138971	Hydrogen_Bond_Acceptor_Count	0
120303	Non-hydrogen_Atom_Count	8
123309341	Hydrogen_Bond_Acceptor_Count	2
53655	Non-hydrogen_Atom_Count	63
1229	Hydrogen_Bond_Donor_Count	1
628281	Mono_Isotopic_Weight	310.110613074
27287	Tautomer_Count	1
42611257	Defined_Atom_Stereo_Count	0
4727	Defined_Bond_Stereo_Count	0
33778657	Hydrogen_Bond_Acceptor_Count	4
118978207	Hydrogen_Bond_Acceptor_Count	1
15439	Isotope_Atom_Count	0
135565589	Isotope_Atom_Count	0
441035	Undefined_Bond_Stereo_Count	0
22754629	XLogP3-AA	0.5
20277173	Undefined_Atom_Stereo_Count	0
139356	Undefined_Atom_Stereo_Count	1
24763202	Hydrogen_Bond_Acceptor_Count	4
25023855	Covalent_Unit_Count	1
13415147	Mono_Isotopic_Weight	118.074227566
5282315	Hydrogen_Bond_Donor_Count	4
91378988	Covalent_Unit_Count	1
56962337	Undefined_Atom_Stereo_Count	0
13243	Mono_Isotopic_Weight	181.03750770
3117357	Defined_Atom_Stereo_Count	0
44395178	Undefined_Bond_Stereo_Count	0
10540046	Non-hydrogen_Atom_Count	19
12768628	Molecular_Weight	95.14
10909501	Tautomer_Count	1
5709222	Covalent_Unit_Count	1
5281565	Defined_Atom_Stereo_Count	1
6368	Total_Formal_Charge	0
152943	Covalent_Unit_Count	3
4534	Undefined_Atom_Stereo_Count	2
96424	Undefined_Bond_Stereo_Count	1
17779	Total_Formal_Charge	0
59277772	Undefined_Bond_Stereo_Count	0
15129466	Molecular_Weight	114.19
28697	Molecular_Weight	226.4
556498	Mono_Isotopic_Weight	176.120115130
25115964	Rotatable_Bond_Count	5
19965	Mono_Isotopic_Weight	96.093900383
134587348	Undefined_Atom_Stereo_Count	0
656832	Covalent_Unit_Count	2
3081078	Undefined_Bond_Stereo_Count	0
14112079	TPSA	40.5
78836	Defined_Bond_Stereo_Count	0
59969	Hydrogen_Bond_Acceptor_Count	3
10603	Defined_Atom_Stereo_Count	0
4827	Exact_Mass	479.17835
91734	TPSA	58.2
147740	Tautomer_Count	90
134688803	Undefined_Bond_Stereo_Count	0
87035	Hydrogen_Bond_Donor_Count	2
148118273	Isotope_Atom_Count	0
73951506	Defined_Atom_Stereo_Count	1
24530	Non-hydrogen_Atom_Count	3
5484736	Mono_Isotopic_Weight	389.04503815
680429	Defined_Bond_Stereo_Count	0
11556910	Covalent_Unit_Count	1
11814656	XLogP3-AA	5.5
11182588	Undefined_Atom_Stereo_Count	1
29256	Undefined_Bond_Stereo_Count	0
10143006	Exact_Mass	526.04954
135516644	Rotatable_Bond_Count	3
13019092	Non-hydrogen_Atom_Count	6
33137	Undefined_Atom_Stereo_Count	0
54897	TPSA	37.6
409471	Isotope_Atom_Count	0
429551	Hydrogen_Bond_Acceptor_Count	2
20055109	Covalent_Unit_Count	1
2734217	Total_Formal_Charge	0
5326566	Defined_Bond_Stereo_Count	0
54548956	Hydrogen_Bond_Donor_Count	1
11675641	Covalent_Unit_Count	1
192160	Undefined_Bond_Stereo_Count	0
50631	Total_Formal_Charge	0
96780	Structure_Complexity	203
87478594	Non-hydrogen_Atom_Count	8
135484128	Molecular_Weight	600.7
25904	XLogP3-AA	4.6
252139	Undefined_Bond_Stereo_Count	0
5281650	TPSA	96.2
2310	Mono_Isotopic_Weight	155.094628657
59091406	Undefined_Bond_Stereo_Count	0
135484551	Total_Formal_Charge	0
30291	TPSA	55.6
10997012	Molecular_Weight	118.13
445575	Structure_Complexity	609
91301203	Defined_Bond_Stereo_Count	0
74823	Rotatable_Bond_Count	4
629	Mono_Isotopic_Weight	423.18663154
11652865	Exact_Mass	332.04669266
96301	Tautomer_Count	1
4871	Exact_Mass	420.15728848
542317	Molecular_Weight	132.16
562362	Rotatable_Bond_Count	3
64772	Total_Formal_Charge	0
92884	Molecular_Weight	189.12
13019047	Isotope_Atom_Count	0
102090390	Isotope_Atom_Count	0
6440871	Hydrogen_Bond_Acceptor_Count	7
6394935	Defined_Atom_Stereo_Count	0
9263	Structure_Complexity	26.5
157365551	XLogP3-AA	2.5
49170	Exact_Mass	242.12665706
53643899	Defined_Bond_Stereo_Count	0
33038	Hydrogen_Bond_Acceptor_Count	2
86260	Mono_Isotopic_Weight	373.839331
15072854	Molecular_Weight	113.16
447466	Isotope_Atom_Count	0
13898	Defined_Bond_Stereo_Count	0
129146	Undefined_Bond_Stereo_Count	0
20187	TPSA	50.8
13027931	Total_Formal_Charge	0
2054	Isotope_Atom_Count	0
19425	Mono_Isotopic_Weight	80.037448136
156618042	TPSA	190
70609968	Defined_Bond_Stereo_Count	0
18923028	Molecular_Weight	99.13
5222844	Non-hydrogen_Atom_Count	6
391136	Isotope_Atom_Count	0
5893	Undefined_Atom_Stereo_Count	0
5831	Rotatable_Bond_Count	4
682	Structure_Complexity	354
162569	Hydrogen_Bond_Acceptor_Count	6
25070195	TPSA	67.9
117291	TPSA	52.6
87147109	Isotope_Atom_Count	0
271488	Hydrogen_Bond_Acceptor_Count	1
289539	Non-hydrogen_Atom_Count	8
140765	Structure_Complexity	93.7
4454	Defined_Atom_Stereo_Count	0
248898	Molecular_Weight	317.4
9776841	XLogP3-AA	8.9
91700388	Defined_Bond_Stereo_Count	0
846	Total_Formal_Charge	0
10176082	TPSA	3
3372845	Hydrogen_Bond_Donor_Count	1
23680530	Hydrogen_Bond_Donor_Count	2
160355	Molecular_Weight	354.4
15679	Exact_Mass	288.04160728
9867	Undefined_Atom_Stereo_Count	0
10486805	Mono_Isotopic_Weight	100.063662883
54760133	Undefined_Bond_Stereo_Count	0
178024	Hydrogen_Bond_Acceptor_Count	7
21594228	Molecular_Weight	532.7
5460044	Mono_Isotopic_Weight	182.07903816
70620	Hydrogen_Bond_Donor_Count	0
5885030	Non-hydrogen_Atom_Count	26
9543090	Structure_Complexity	309
4422	Isotope_Atom_Count	0
657255	Undefined_Bond_Stereo_Count	0
16399	Hydrogen_Bond_Acceptor_Count	1
167807	Undefined_Atom_Stereo_Count	4
8341	Undefined_Bond_Stereo_Count	0
23567810	Hydrogen_Bond_Donor_Count	0
117266483	Covalent_Unit_Count	1
91394869	Hydrogen_Bond_Acceptor_Count	2
3243871	Defined_Bond_Stereo_Count	0
449281	Mono_Isotopic_Weight	607.10531
73829111	Structure_Complexity	82.2
90243427	Hydrogen_Bond_Acceptor_Count	2
92822	Defined_Bond_Stereo_Count	0
5241	TPSA	52.9
6119	Total_Formal_Charge	0
108835	Exact_Mass	157.07389321
6041	Undefined_Atom_Stereo_Count	0
289847	Exact_Mass	160.074896272
12263	Exact_Mass	101.047678466
625305	Undefined_Atom_Stereo_Count	9
19604274	TPSA	67.4
104902	Exact_Mass	720.40329008
104735	Non-hydrogen_Atom_Count	12
17310	Molecular_Weight	122.19
7551	Tautomer_Count	2
5351560	XLogP3-AA	2.3
94973	Undefined_Atom_Stereo_Count	0
194953	Exact_Mass	202.09535693
25271884	TPSA	133
163838	Exact_Mass	713.2632801
91365800	Defined_Bond_Stereo_Count	0
16049448	Covalent_Unit_Count	1
104774	Rotatable_Bond_Count	10
43146	Mono_Isotopic_Weight	251.131014166
5954	Hydrogen_Bond_Acceptor_Count	0
636374	Rotatable_Bond_Count	8
123542114	Mono_Isotopic_Weight	99.068413911
22137184	Total_Formal_Charge	0
60196430	Hydrogen_Bond_Donor_Count	0
444	Exact_Mass	239.1076919
8310	Non-hydrogen_Atom_Count	20
24901349	Non-hydrogen_Atom_Count	34
441174	Non-hydrogen_Atom_Count	41
295965	Isotope_Atom_Count	0
6473767	Undefined_Bond_Stereo_Count	0
55560	Defined_Bond_Stereo_Count	0
102590130	Rotatable_Bond_Count	96
16932	Exact_Mass	216.093900383
40781	Non-hydrogen_Atom_Count	18
54581335	Structure_Complexity	514
5374527	Defined_Atom_Stereo_Count	0
7695	Undefined_Atom_Stereo_Count	0
123190012	Defined_Bond_Stereo_Count	0
11970	Hydrogen_Bond_Acceptor_Count	3
9877750	Covalent_Unit_Count	1
56842239	Rotatable_Bond_Count	40
118460906	Hydrogen_Bond_Donor_Count	8
9926791	Defined_Bond_Stereo_Count	0
6419725	Molecular_Weight	536.9
130600	Mono_Isotopic_Weight	113.084063974
441333	Defined_Atom_Stereo_Count	0
893947	Exact_Mass	253.0669699
10237	Total_Formal_Charge	0
153667070	Defined_Bond_Stereo_Count	0
28950993	Non-hydrogen_Atom_Count	7
398747	Covalent_Unit_Count	1
7568	Molecular_Weight	260.20
29934831	Hydrogen_Bond_Donor_Count	0
83822	Molecular_Weight	388.8
77579	Defined_Atom_Stereo_Count	0
11636795	Undefined_Bond_Stereo_Count	0
443003	Defined_Atom_Stereo_Count	2
98136	Rotatable_Bond_Count	2
68109743	TPSA	112
18530292	Undefined_Bond_Stereo_Count	0
941361	Non-hydrogen_Atom_Count	30
40438	Isotope_Atom_Count	0
9795278	Undefined_Bond_Stereo_Count	0
142755	Exact_Mass	114.068079557
51933	Isotope_Atom_Count	0
135399594	TPSA	245
40589	Tautomer_Count	1
6456015	TPSA	172
193214	Defined_Atom_Stereo_Count	0
54677971	TPSA	136
97289	Defined_Bond_Stereo_Count	0
9848786	Total_Formal_Charge	0
83953	Undefined_Atom_Stereo_Count	0
10250769	Hydrogen_Bond_Acceptor_Count	7
161562	Exact_Mass	394.13266896
20220679	Molecular_Weight	114.14
781234	TPSA	48.9
38879	Non-hydrogen_Atom_Count	16
18381562	TPSA	53.6
13418386	Non-hydrogen_Atom_Count	8
135459889	Mono_Isotopic_Weight	167.02051497
824784	XLogP3-AA	4.5
5054	Mono_Isotopic_Weight	110.036779430
19003653	TPSA	12
48207	Defined_Atom_Stereo_Count	0
15940571	TPSA	119
905454	Isotope_Atom_Count	0
119101	Tautomer_Count	3
124870718	XLogP3-AA	4.1
447587	TPSA	21.2
68843	Hydrogen_Bond_Donor_Count	1
70682213	Mono_Isotopic_Weight	429.19132300
136219152	XLogP3-AA	4.6
34468	Isotope_Atom_Count	0
13834698	Undefined_Bond_Stereo_Count	0
3973	Non-hydrogen_Atom_Count	23
71307072	Undefined_Atom_Stereo_Count	0
820	Hydrogen_Bond_Donor_Count	19
5288769	Structure_Complexity	382
69293	Hydrogen_Bond_Acceptor_Count	1
47499	Isotope_Atom_Count	0
128419	Undefined_Atom_Stereo_Count	0
15560527	Rotatable_Bond_Count	0
35763	Defined_Atom_Stereo_Count	0
70693548	Total_Formal_Charge	0
1013432	Rotatable_Bond_Count	4
24386	Covalent_Unit_Count	1
80108978	Undefined_Bond_Stereo_Count	0
101940	Defined_Bond_Stereo_Count	0
23894	Exact_Mass	249.93841509
22002061	Non-hydrogen_Atom_Count	8
17890710	Undefined_Atom_Stereo_Count	0
2804680	Rotatable_Bond_Count	2
19078026	Total_Formal_Charge	0
11769095	Isotope_Atom_Count	0
61948	Mono_Isotopic_Weight	263.88977
698716	Undefined_Atom_Stereo_Count	0
10046567	Non-hydrogen_Atom_Count	29
527	XLogP3	0.6
12933751	Covalent_Unit_Count	1
1077757	XLogP3-AA	3.6
51381	Exact_Mass	152.083729621
542317	Total_Formal_Charge	0
35784	TPSA	20.2
662452	Hydrogen_Bond_Acceptor_Count	7
176167	Undefined_Atom_Stereo_Count	0
11547499	Isotope_Atom_Count	0
56679112	Molecular_Weight	341.4
439369	Rotatable_Bond_Count	9
95116	Exact_Mass	210.00205114
4320947	Undefined_Atom_Stereo_Count	3
557445	Non-hydrogen_Atom_Count	8
137698364	Defined_Bond_Stereo_Count	2
9882837	Undefined_Bond_Stereo_Count	0
17630	Isotope_Atom_Count	0
92222	Non-hydrogen_Atom_Count	14
21642823	Undefined_Bond_Stereo_Count	0
18736933	Defined_Bond_Stereo_Count	0
24202578	Tautomer_Count	479
30619	Undefined_Bond_Stereo_Count	0
37906	Hydrogen_Bond_Acceptor_Count	3
69814	Undefined_Bond_Stereo_Count	1
2826731	Hydrogen_Bond_Donor_Count	2
4678	Mono_Isotopic_Weight	205.13140809
11701820	Defined_Atom_Stereo_Count	0
54758309	Isotope_Atom_Count	0
446308	Hydrogen_Bond_Acceptor_Count	4
74680	Hydrogen_Bond_Acceptor_Count	2
15568242	Molecular_Weight	118.20
216992	Molecular_Weight	284.4
9595287	Defined_Bond_Stereo_Count	1
56840960	Undefined_Atom_Stereo_Count	1
96327588	Defined_Atom_Stereo_Count	16
636367	Total_Formal_Charge	0
441414	Mono_Isotopic_Weight	317.11106656
145712321	Hydrogen_Bond_Donor_Count	1
164767	Undefined_Atom_Stereo_Count	0
139449	Molecular_Weight	94.15
66569	Molecular_Weight	160.17
16197725	Defined_Bond_Stereo_Count	0
90488948	Tautomer_Count	6
12479	XLogP3	1.2
6325	Total_Formal_Charge	0
516919	Rotatable_Bond_Count	0
20713453	Structure_Complexity	118
62770	Isotope_Atom_Count	0
11850698	Undefined_Atom_Stereo_Count	0
9256	Hydrogen_Bond_Donor_Count	0
23090352	Total_Formal_Charge	0
14359581	Molecular_Weight	109.13
12747	Undefined_Bond_Stereo_Count	0
48289	Tautomer_Count	1
101080369	Defined_Bond_Stereo_Count	0
9889366	Exact_Mass	438.16469979
9601349	Rotatable_Bond_Count	3
168263	Exact_Mass	114.068079557
616651	Defined_Atom_Stereo_Count	0
162883450	TPSA	272
15559064	Isotope_Atom_Count	0
90227	Non-hydrogen_Atom_Count	27
98850	XLogP3-AA	0.6
60618	Structure_Complexity	504
122522140	Covalent_Unit_Count	1
13695806	Total_Formal_Charge	0
6915744	Total_Formal_Charge	0
82505	TPSA	40.9
9548802	Defined_Bond_Stereo_Count	0
56859	Mono_Isotopic_Weight	320.20999276
71584166	TPSA	107
9839243	Undefined_Atom_Stereo_Count	0
89181	Exact_Mass	142.135765193
98930	Undefined_Atom_Stereo_Count	1
9049	Hydrogen_Bond_Acceptor_Count	1
85769	Total_Formal_Charge	0
71541192	Total_Formal_Charge	0
23615311	TPSA	141
644275	Rotatable_Bond_Count	79
18929959	Total_Formal_Charge	0
71645	Exact_Mass	242.094294304
15559154	Total_Formal_Charge	0
6720	TPSA	45.8
101254313	Covalent_Unit_Count	1
51921893	Total_Formal_Charge	0
10143006	Hydrogen_Bond_Acceptor_Count	11
10558	XLogP3-AA	1.8
10930	Hydrogen_Bond_Donor_Count	1
62155	Defined_Atom_Stereo_Count	0
69537	Covalent_Unit_Count	1
38252	Non-hydrogen_Atom_Count	15
19150	Exact_Mass	405.09945651
44419240	TPSA	93.4
5284469	XLogP3-AA	4.7
68712	Exact_Mass	180.126263138
25154200	Defined_Bond_Stereo_Count	0
68653619	Undefined_Bond_Stereo_Count	0
123642	Mono_Isotopic_Weight	408.24129289
18669439	Molecular_Weight	99.09
156758105	Covalent_Unit_Count	1
6075	Defined_Atom_Stereo_Count	0
42552662	Non-hydrogen_Atom_Count	23
538433	Tautomer_Count	1
70636	XLogP3	2.7
58777015	Hydrogen_Bond_Donor_Count	4
54581861	Rotatable_Bond_Count	6
784510	Covalent_Unit_Count	1
53672	Tautomer_Count	1
71517699	Rotatable_Bond_Count	5
1800	Hydrogen_Bond_Donor_Count	3
738681	Undefined_Atom_Stereo_Count	0
10888051	Isotope_Atom_Count	0
60960	Hydrogen_Bond_Acceptor_Count	4
1311	Undefined_Bond_Stereo_Count	0
8340	Mono_Isotopic_Weight	353.12632271
14117201	Defined_Bond_Stereo_Count	0
4344	Structure_Complexity	53.7
71308226	Rotatable_Bond_Count	7
131460	Undefined_Bond_Stereo_Count	0
4914117	Molecular_Weight	258.30
824336	Non-hydrogen_Atom_Count	23
89311461	TPSA	46.1
65924	Covalent_Unit_Count	1
11286230	Exact_Mass	925.50349992
89200515	Hydrogen_Bond_Donor_Count	5
21484	Undefined_Atom_Stereo_Count	0
23760141	Covalent_Unit_Count	1
11234052	XLogP3-AA	3
51553	Defined_Bond_Stereo_Count	0
75358112	Rotatable_Bond_Count	6
44560911	Covalent_Unit_Count	1
47170034	Undefined_Bond_Stereo_Count	0
57681561	Mono_Isotopic_Weight	393.21781779
78220	Hydrogen_Bond_Donor_Count	1
11796	Defined_Bond_Stereo_Count	0
12585787	XLogP3-AA	2.2
76241	Undefined_Bond_Stereo_Count	0
68696	XLogP3-AA	3.3
675533	Structure_Complexity	365
10108847	Rotatable_Bond_Count	5
36688209	Hydrogen_Bond_Acceptor_Count	4
74572	Defined_Atom_Stereo_Count	0
135566455	Hydrogen_Bond_Acceptor_Count	7
27713	Exact_Mass	271.0975211
18999713	Defined_Bond_Stereo_Count	0
182429	Total_Formal_Charge	0
219023	Molecular_Weight	398.4
16653	TPSA	45.6
135983	Non-hydrogen_Atom_Count	11
16627	TPSA	26.3
58018940	Non-hydrogen_Atom_Count	8
11170931	Defined_Bond_Stereo_Count	0
59730586	XLogP3-AA	3
8920	Mono_Isotopic_Weight	185.214349865
57069375	Defined_Atom_Stereo_Count	6
12830793	Rotatable_Bond_Count	1
8154	Exact_Mass	319.3005780
87479093	XLogP3-AA	0.6
67089	Undefined_Bond_Stereo_Count	0
9957090	Hydrogen_Bond_Acceptor_Count	8
158770620	XLogP3-AA	1.8
6752	Undefined_Bond_Stereo_Count	0
142186967	Undefined_Atom_Stereo_Count	4
11564168	Non-hydrogen_Atom_Count	62
58814044	Exact_Mass	96.068748264
6920223	Defined_Atom_Stereo_Count	0
423438	Defined_Atom_Stereo_Count	0
93898	Defined_Atom_Stereo_Count	0
13416	Non-hydrogen_Atom_Count	12
60746	Mono_Isotopic_Weight	367.0934984
54408458	Total_Formal_Charge	0
20205	Mono_Isotopic_Weight	102.068079557
91825644	Hydrogen_Bond_Acceptor_Count	3
70700	Undefined_Atom_Stereo_Count	0
10510817	Isotope_Atom_Count	0
3480590	Defined_Bond_Stereo_Count	0
76430	Total_Formal_Charge	0
234117	Total_Formal_Charge	0
5369129	Undefined_Bond_Stereo_Count	0
19385693	Exact_Mass	107.048347172
20543	Molecular_Weight	457.7
92843	Mono_Isotopic_Weight	188.11609238
5473310	Mono_Isotopic_Weight	286.04773803
22134406	Mono_Isotopic_Weight	113.047678466
58817179	TPSA	62.8
25077993	Isotope_Atom_Count	0
48783	Exact_Mass	210.10044231
98650	Defined_Bond_Stereo_Count	0
16129706	Covalent_Unit_Count	1
1219	Undefined_Bond_Stereo_Count	0
19667	Exact_Mass	256.170139325
136585	Exact_Mass	106.078250319
46882191	Structure_Complexity	560
5289295	Total_Formal_Charge	0
21585117	Undefined_Atom_Stereo_Count	0
76206	Mono_Isotopic_Weight	134.0134572
53477781	Rotatable_Bond_Count	12
6919003	Defined_Atom_Stereo_Count	0
37983	Exact_Mass	191.131014166
57448758	Non-hydrogen_Atom_Count	46
4739262	Structure_Complexity	475
129800133	Non-hydrogen_Atom_Count	7
67811115	Molecular_Weight	114.14
70337	Defined_Atom_Stereo_Count	0
70686983	Rotatable_Bond_Count	7
23080901	Hydrogen_Bond_Donor_Count	0
7823	Exact_Mass	134.094294304
628281	Isotope_Atom_Count	0
21783	Hydrogen_Bond_Acceptor_Count	4
11966162	Molecular_Weight	907.7
3018793	Defined_Bond_Stereo_Count	0
44260118	Covalent_Unit_Count	1
968688	XLogP3	3.5
13437377	Undefined_Atom_Stereo_Count	1
87161809	Hydrogen_Bond_Donor_Count	1
10143016	Total_Formal_Charge	0
6718	Tautomer_Count	1
231040	Non-hydrogen_Atom_Count	14
13350797	Exact_Mass	97.052763847
145521	Exact_Mass	80.062600255
44565776	Undefined_Bond_Stereo_Count	0
78160	Rotatable_Bond_Count	5
358	Total_Formal_Charge	0
16721	Structure_Complexity	398
23666456	Non-hydrogen_Atom_Count	7
129146	Undefined_Atom_Stereo_Count	0
22672893	Exact_Mass	109.063997236
23675242	Molecular_Weight	85.962
78422638	Defined_Bond_Stereo_Count	0
81818	Covalent_Unit_Count	1
92028754	Mono_Isotopic_Weight	69.9665510
21109	XLogP3-AA	1
71679	Isotope_Atom_Count	0
87931798	Rotatable_Bond_Count	2
520366	TPSA	0
53928139	Defined_Atom_Stereo_Count	0
53481477	Mono_Isotopic_Weight	350.20932405
191841	Exact_Mass	376.308978523
117715670	Hydrogen_Bond_Acceptor_Count	5
5359423	XLogP3	3.4
16065391	XLogP3-AA	5
15271	Tautomer_Count	1
47318	Defined_Atom_Stereo_Count	0
86211	Structure_Complexity	387
5284551	Isotope_Atom_Count	0
108137	TPSA	50.3
6956357	Non-hydrogen_Atom_Count	26
129980649	Exact_Mass	100.052429494
162639143	Covalent_Unit_Count	1
6097185	Tautomer_Count	1
50023	Defined_Atom_Stereo_Count	0
16051951	Defined_Atom_Stereo_Count	9
141543352	Hydrogen_Bond_Acceptor_Count	1
832	Defined_Bond_Stereo_Count	0
65094	Covalent_Unit_Count	1
445212	Exact_Mass	252.11100700
9818231	Hydrogen_Bond_Donor_Count	1
59277772	Defined_Atom_Stereo_Count	0
126970648	Total_Formal_Charge	0
498716	Exact_Mass	40.0358543
54434340	Isotope_Atom_Count	0
44452442	XLogP3-AA	4.5
68116	Structure_Complexity	202
4823	Mono_Isotopic_Weight	334.14297583
59059061	XLogP3-AA	0
638019	Mono_Isotopic_Weight	386.354866087
86388	Exact_Mass	335.15214353
5355751	Tautomer_Count	8
134820051	Defined_Atom_Stereo_Count	0
307976	Rotatable_Bond_Count	0
86208116	Defined_Bond_Stereo_Count	0
2733	Molecular_Weight	169.56
12285869	Exact_Mass	180.06338810
29982856	Molecular_Weight	342.30
5289296	Total_Formal_Charge	0
133633	Molecular_Weight	340.8
5311092	Covalent_Unit_Count	1
141758021	Total_Formal_Charge	0
140565377	Molecular_Weight	181.16
19540	Mono_Isotopic_Weight	140.156500638
53785673	Undefined_Atom_Stereo_Count	0
5353439	Total_Formal_Charge	0
628949	Mono_Isotopic_Weight	316.276615768
4865	Undefined_Atom_Stereo_Count	4
135546259	Hydrogen_Bond_Donor_Count	7
53846435	Isotope_Atom_Count	0
188803	Hydrogen_Bond_Donor_Count	5
249414	Covalent_Unit_Count	1
7941	Isotope_Atom_Count	0
21953621	Isotope_Atom_Count	0
123867503	Exact_Mass	108.093900383
53851	Exact_Mass	317.235479232
57401682	Isotope_Atom_Count	0
55291579	Rotatable_Bond_Count	1
2795425	Structure_Complexity	123
12223113	Defined_Bond_Stereo_Count	0
7932	Defined_Atom_Stereo_Count	0
71583157	Undefined_Atom_Stereo_Count	0
87774825	Hydrogen_Bond_Donor_Count	5
73330464	Tautomer_Count	3
11072675	Hydrogen_Bond_Acceptor_Count	1
24458	Defined_Atom_Stereo_Count	0
53811889	Non-hydrogen_Atom_Count	8
711468	Isotope_Atom_Count	0
164695	Rotatable_Bond_Count	2
3083671	Hydrogen_Bond_Donor_Count	2
2449	Tautomer_Count	127
16441	Undefined_Atom_Stereo_Count	1
60196381	Defined_Bond_Stereo_Count	0
17714	Hydrogen_Bond_Acceptor_Count	3
6194	Structure_Complexity	288
5491989	Hydrogen_Bond_Donor_Count	2
53316385	Mono_Isotopic_Weight	603.1691619
156599225	Exact_Mass	490.36582469
16726085	Isotope_Atom_Count	0
72070	Undefined_Bond_Stereo_Count	0
44560668	Molecular_Weight	401.5
49837968	Rotatable_Bond_Count	3
25202509	Non-hydrogen_Atom_Count	31
365938	Molecular_Weight	385.8
24729360	Defined_Atom_Stereo_Count	4
75905	Hydrogen_Bond_Donor_Count	1
11100989	Hydrogen_Bond_Donor_Count	0
25683	Non-hydrogen_Atom_Count	16
8041	Hydrogen_Bond_Acceptor_Count	2
40496	Structure_Complexity	272
12506259	Defined_Bond_Stereo_Count	0
449107	Covalent_Unit_Count	1
70752	Non-hydrogen_Atom_Count	10
154461366	Structure_Complexity	122
213021	Defined_Bond_Stereo_Count	0
20652033	Total_Formal_Charge	0
6992020	Hydrogen_Bond_Acceptor_Count	4
60789	Defined_Atom_Stereo_Count	1
136870	Exact_Mass	96.093900383
3063228	Non-hydrogen_Atom_Count	10
13382	Total_Formal_Charge	0
24829330	TPSA	137
44276024	Rotatable_Bond_Count	11
3283968	Structure_Complexity	74.1
57417608	Hydrogen_Bond_Acceptor_Count	1
444031	Covalent_Unit_Count	1
646135	Hydrogen_Bond_Donor_Count	2
19045124	Undefined_Bond_Stereo_Count	0
77757	Isotope_Atom_Count	0
2950	Defined_Atom_Stereo_Count	0
36209	Tautomer_Count	1
137212229	Exact_Mass	87.043261792
3081185	Undefined_Atom_Stereo_Count	0
4402	Non-hydrogen_Atom_Count	24
76008	Undefined_Atom_Stereo_Count	0
39617	Covalent_Unit_Count	1
11601	Structure_Complexity	29.3
439456	Molecular_Weight	420.10
10373	Molecular_Weight	247.33
12734620	XLogP3-AA	1.9
19883274	Total_Formal_Charge	0
66755	Defined_Bond_Stereo_Count	0
16665100	Mono_Isotopic_Weight	461.23145648
62558	Isotope_Atom_Count	0
73174	Non-hydrogen_Atom_Count	17
1480	Molecular_Weight	255.5
101989	Defined_Atom_Stereo_Count	7
16212088	Defined_Atom_Stereo_Count	0
668649	Undefined_Atom_Stereo_Count	0
768	Hydrogen_Bond_Acceptor_Count	1
67602	TPSA	0
23279316	Undefined_Bond_Stereo_Count	0
53918	Defined_Bond_Stereo_Count	0
1771194	Structure_Complexity	702
443042	Rotatable_Bond_Count	4
14200531	XLogP3-AA	1.3
44338517	Exact_Mass	462.17419698
4858	Non-hydrogen_Atom_Count	22
23167053	TPSA	59
53910938	XLogP3-AA	3
34313	Defined_Atom_Stereo_Count	0
117479	Covalent_Unit_Count	1
135705228	Non-hydrogen_Atom_Count	36
836	Defined_Atom_Stereo_Count	0
2724032	Structure_Complexity	191
118121642	Hydrogen_Bond_Acceptor_Count	2
53785673	Defined_Atom_Stereo_Count	0
78579	Defined_Atom_Stereo_Count	0
58642	Undefined_Atom_Stereo_Count	0
640180	Rotatable_Bond_Count	4
13559281	Hydrogen_Bond_Acceptor_Count	4
11126230	Defined_Atom_Stereo_Count	0
90997437	TPSA	60.7
101050964	Structure_Complexity	1630
635911	Non-hydrogen_Atom_Count	43
70480837	Exact_Mass	109.027611728
25159190	Undefined_Atom_Stereo_Count	0
133124921	Covalent_Unit_Count	1
53456	Mono_Isotopic_Weight	249.07495584
9957535	Isotope_Atom_Count	0
6093241	Tautomer_Count	1
87635503	XLogP3-AA	0.6
5167	TPSA	140
60452	Undefined_Atom_Stereo_Count	0
19935912	Structure_Complexity	209
70023156	Structure_Complexity	140
12647151	Exact_Mass	132.04225873
21642823	Undefined_Atom_Stereo_Count	0
116864150	Non-hydrogen_Atom_Count	8
19705594	Defined_Bond_Stereo_Count	0
429551	Molecular_Weight	144.17
16741	Covalent_Unit_Count	1
10197702	Defined_Atom_Stereo_Count	0
96826	TPSA	17.1
22967022	Hydrogen_Bond_Acceptor_Count	2
70014	Defined_Bond_Stereo_Count	0
64966	Hydrogen_Bond_Acceptor_Count	4
2871	Mono_Isotopic_Weight	362.0144595
11911	Defined_Bond_Stereo_Count	0
88489585	Exact_Mass	118.062994177
229295	Mono_Isotopic_Weight	410.28209507
86014	Exact_Mass	96.093900383
59874134	Hydrogen_Bond_Acceptor_Count	1
17277	TPSA	92.8
146159199	Non-hydrogen_Atom_Count	36
44342925	TPSA	23.5
134593	Mono_Isotopic_Weight	115.026943022
439373	Rotatable_Bond_Count	2
3067	Rotatable_Bond_Count	4
7707	Defined_Atom_Stereo_Count	0
45791267	Exact_Mass	134.059246208
34364440	Undefined_Atom_Stereo_Count	0
74168	TPSA	38
157599173	Undefined_Atom_Stereo_Count	1
616642	Defined_Atom_Stereo_Count	0
66342	Molecular_Weight	292.3
96191	Isotope_Atom_Count	0
8878	Non-hydrogen_Atom_Count	12
90941530	Undefined_Bond_Stereo_Count	0
85960	Rotatable_Bond_Count	11
8388	Mono_Isotopic_Weight	263.92834
28145931	Non-hydrogen_Atom_Count	27
9689	XLogP3-AA	2.8
88095	Molecular_Weight	162.14
154417	XLogP3	1.8
75317	Molecular_Weight	122.17
138971591	Undefined_Atom_Stereo_Count	1
7844	Molecular_Weight	56.11
24214097	Hydrogen_Bond_Acceptor_Count	4
3033968	Rotatable_Bond_Count	2
643	Hydrogen_Bond_Acceptor_Count	3
138663	Total_Formal_Charge	0
146156930	Total_Formal_Charge	0
2574	TPSA	83.8
58387740	Covalent_Unit_Count	1
10072851	Rotatable_Bond_Count	5
890907	Molecular_Weight	250.29
10727124	XLogP3-AA	2.9
85924947	Defined_Bond_Stereo_Count	0
22645860	Hydrogen_Bond_Acceptor_Count	3
6913185	Exact_Mass	400.0381477
82111162	Mono_Isotopic_Weight	115.099714038
54682507	Exact_Mass	324.09977361
66931399	Defined_Bond_Stereo_Count	0
89559	Molecular_Weight	154.21
163677749	TPSA	20.3
866430	Rotatable_Bond_Count	3
24756	Structure_Complexity	144
947097	Hydrogen_Bond_Donor_Count	1
119097293	Undefined_Bond_Stereo_Count	0
30461	Molecular_Weight	206.24
10175096	Defined_Bond_Stereo_Count	0
509864	Structure_Complexity	554
73423	Hydrogen_Bond_Donor_Count	2
15123310	Mono_Isotopic_Weight	295.0512396
11194308	Structure_Complexity	72.9
66036969	Molecular_Weight	112.13
91489	Hydrogen_Bond_Acceptor_Count	3
2734180	Defined_Bond_Stereo_Count	0
12532	Rotatable_Bond_Count	15
6415	Molecular_Weight	296.74
2555	Structure_Complexity	358
151255	Hydrogen_Bond_Acceptor_Count	3
81512	Structure_Complexity	65.1
142965989	XLogP3-AA	5.1
6378383	Mono_Isotopic_Weight	357.209264485
69873	Covalent_Unit_Count	1
4739928	Hydrogen_Bond_Donor_Count	0
12720	Undefined_Atom_Stereo_Count	0
285657	Mono_Isotopic_Weight	112.03851076
86295	Hydrogen_Bond_Acceptor_Count	11
24848232	Defined_Bond_Stereo_Count	0
96268	Undefined_Bond_Stereo_Count	0
681110	Isotope_Atom_Count	0
47104	Defined_Bond_Stereo_Count	0
1382059	Covalent_Unit_Count	1
12580	Structure_Complexity	82.7
71679410	Structure_Complexity	688
121599	Molecular_Weight	100.12
88890036	Rotatable_Bond_Count	1
25072741	Exact_Mass	431.14567599
55287853	Defined_Atom_Stereo_Count	0
44392220	Hydrogen_Bond_Donor_Count	1
7979	Covalent_Unit_Count	1
15309593	Mono_Isotopic_Weight	216.089877630
968625	TPSA	74.9
6971097	Defined_Bond_Stereo_Count	0
574037	Undefined_Atom_Stereo_Count	0
54581776	TPSA	89
6702	Undefined_Atom_Stereo_Count	0
51299	Defined_Atom_Stereo_Count	0
10964421	Hydrogen_Bond_Donor_Count	1
54759	Isotope_Atom_Count	0
6763	Covalent_Unit_Count	1
11332442	Hydrogen_Bond_Acceptor_Count	3
16699	Isotope_Atom_Count	0
67473	XLogP3	2.5
101744	Non-hydrogen_Atom_Count	22
66602654	Non-hydrogen_Atom_Count	8
21702858	Isotope_Atom_Count	0
25724	XLogP3-AA	1.2
5481350	Isotope_Atom_Count	0
20607721	Hydrogen_Bond_Acceptor_Count	0
135977933	Undefined_Bond_Stereo_Count	0
7673	TPSA	44.4
3730	Non-hydrogen_Atom_Count	34
6433266	Exact_Mass	372.28757437
14707	Structure_Complexity	432
11859	Hydrogen_Bond_Acceptor_Count	1
2762894	TPSA	38.9
15550385	Hydrogen_Bond_Acceptor_Count	3
4076	Defined_Atom_Stereo_Count	0
155142	Rotatable_Bond_Count	23
11782763	Exact_Mass	94.041864811
129890070	Mono_Isotopic_Weight	348.9520720
284024	Undefined_Bond_Stereo_Count	0
4913243	Covalent_Unit_Count	1
53870064	Structure_Complexity	113
88937798	XLogP3-AA	0.4
130545	Hydrogen_Bond_Acceptor_Count	4
5284603	Tautomer_Count	6
78357784	Covalent_Unit_Count	1
154825180	Undefined_Bond_Stereo_Count	0
129769827	Exact_Mass	84.068748264
12940701	Rotatable_Bond_Count	7
127832	Total_Formal_Charge	0
53259022	XLogP3-AA	4.7
2756017	Undefined_Bond_Stereo_Count	0
70882	Defined_Atom_Stereo_Count	0
256591	TPSA	26.3
14266	Covalent_Unit_Count	1
23667626	Covalent_Unit_Count	7
4369270	Undefined_Atom_Stereo_Count	0
99894	Defined_Bond_Stereo_Count	0
9852904	Molecular_Weight	678.6
50993726	Rotatable_Bond_Count	6
9871419	Exact_Mass	522.18608089
14082	Tautomer_Count	1
9834591	TPSA	143
42254	Exact_Mass	481.16964407
62413	Tautomer_Count	1
66117	Defined_Bond_Stereo_Count	0
703128	Defined_Bond_Stereo_Count	0
6806	Total_Formal_Charge	0
62098	Rotatable_Bond_Count	3
21684469	Hydrogen_Bond_Acceptor_Count	3
14020433	Hydrogen_Bond_Acceptor_Count	2
118459248	Molecular_Weight	342.30
13432441	Undefined_Atom_Stereo_Count	1
23670774	Molecular_Weight	415.5
11576068	Defined_Bond_Stereo_Count	0
6919175	Undefined_Bond_Stereo_Count	0
124518033	Defined_Atom_Stereo_Count	0
23695324	Hydrogen_Bond_Acceptor_Count	7
1504097	Non-hydrogen_Atom_Count	8
7848	Hydrogen_Bond_Donor_Count	1
129696858	TPSA	116
5354325	Total_Formal_Charge	0
71412	Undefined_Bond_Stereo_Count	0
5484450	Defined_Bond_Stereo_Count	0
190816	Undefined_Bond_Stereo_Count	0
8052	Isotope_Atom_Count	0
139254081	Defined_Atom_Stereo_Count	6
7172302	Undefined_Bond_Stereo_Count	0
70377524	Non-hydrogen_Atom_Count	18
57441994	Defined_Bond_Stereo_Count	0
9462	Structure_Complexity	167
142959	Structure_Complexity	68.4
93234	Defined_Bond_Stereo_Count	0
6453100	Hydrogen_Bond_Acceptor_Count	4
4045	Undefined_Bond_Stereo_Count	0
21460	Structure_Complexity	59.6
67248272	Hydrogen_Bond_Acceptor_Count	2
13764	Total_Formal_Charge	0
2734167	TPSA	8.8
55245	XLogP3-AA	3.8
23629997	Covalent_Unit_Count	1
11187581	Non-hydrogen_Atom_Count	25
114681	Structure_Complexity	105
26193	Defined_Atom_Stereo_Count	0
98685	Isotope_Atom_Count	0
429342	Structure_Complexity	203
54572303	Exact_Mass	112.03851076
9833937	Total_Formal_Charge	0
9815689	Total_Formal_Charge	0
5318537	Hydrogen_Bond_Acceptor_Count	10
7483	XLogP3	2
107202	Hydrogen_Bond_Acceptor_Count	3
41743	Defined_Bond_Stereo_Count	0
11241	Isotope_Atom_Count	0
91747288	Hydrogen_Bond_Acceptor_Count	2
643789	Undefined_Bond_Stereo_Count	0
23519852	Defined_Bond_Stereo_Count	0
24899382	Defined_Atom_Stereo_Count	3
71541293	Defined_Atom_Stereo_Count	1
9821945	Total_Formal_Charge	0
16404350	Exact_Mass	1201.84136802
118946372	Rotatable_Bond_Count	8
24848382	Mono_Isotopic_Weight	152.107539070
11013485	Tautomer_Count	1
11865410	Defined_Atom_Stereo_Count	4
524766	Rotatable_Bond_Count	2
5320313	Isotope_Atom_Count	0
10047003	Structure_Complexity	533
12416832	Isotope_Atom_Count	0
48883	Mono_Isotopic_Weight	356.1283001
11693521	Exact_Mass	811.47314329
53323371	Undefined_Bond_Stereo_Count	0
7472	Covalent_Unit_Count	1
18735	Non-hydrogen_Atom_Count	17
9974756	Total_Formal_Charge	0
112239	TPSA	26.3
10815	Hydrogen_Bond_Donor_Count	2
53364510	Undefined_Atom_Stereo_Count	1
5281032	Structure_Complexity	548
80009	Rotatable_Bond_Count	0
4560	Exact_Mass	375.98604
134695356	Non-hydrogen_Atom_Count	52
6672	Structure_Complexity	143
57586910	Defined_Bond_Stereo_Count	0
134694073	Rotatable_Bond_Count	10
674754	Exact_Mass	314.05725734
62388	Exact_Mass	224.14124450
19001504	Undefined_Atom_Stereo_Count	0
6419708	Non-hydrogen_Atom_Count	22
9873	Hydrogen_Bond_Donor_Count	0
9796365	Structure_Complexity	431
264090	Undefined_Bond_Stereo_Count	0
148673	Hydrogen_Bond_Acceptor_Count	6
32283	Hydrogen_Bond_Acceptor_Count	2
5984	Hydrogen_Bond_Acceptor_Count	6
534055	Hydrogen_Bond_Donor_Count	1
7	Mono_Isotopic_Weight	163.08579531
6537	Isotope_Atom_Count	0
92174	Total_Formal_Charge	0
4162	Covalent_Unit_Count	1
60196404	Structure_Complexity	886
56955933	Total_Formal_Charge	0
566597	Defined_Bond_Stereo_Count	0
3176	Isotope_Atom_Count	0
18352108	Hydrogen_Bond_Acceptor_Count	2
125286696	Defined_Bond_Stereo_Count	2
89926	Defined_Atom_Stereo_Count	0
126624267	Defined_Bond_Stereo_Count	0
156618186	Undefined_Bond_Stereo_Count	0
12161	Mono_Isotopic_Weight	118.078250319
70789197	Defined_Atom_Stereo_Count	9
3262018	Hydrogen_Bond_Acceptor_Count	3
25868	Molecular_Weight	89.14
11042360	Non-hydrogen_Atom_Count	14
15273523	Undefined_Atom_Stereo_Count	0
105427130	Structure_Complexity	77.7
6917663	Structure_Complexity	268
118658477	Mono_Isotopic_Weight	111.068413911
26111	XLogP3-AA	8
68748	Covalent_Unit_Count	1
9708	Defined_Bond_Stereo_Count	0
56673014	Isotope_Atom_Count	0
52943923	Non-hydrogen_Atom_Count	24
11114	Exact_Mass	272.1291556
67122	TPSA	77.3
66082	Structure_Complexity	62.7
521440	Total_Formal_Charge	0
11768539	Non-hydrogen_Atom_Count	8
7707	XLogP3	1.3
26865	Non-hydrogen_Atom_Count	8
645691	Covalent_Unit_Count	1
3406	Hydrogen_Bond_Donor_Count	1
23283068	Hydrogen_Bond_Donor_Count	0
638552	Undefined_Atom_Stereo_Count	0
129864962	Structure_Complexity	399
223464	Defined_Bond_Stereo_Count	0
90208	XLogP3-AA	1.1
59716033	Mono_Isotopic_Weight	96.068748264
18954572	Molecular_Weight	98.10
28429	Total_Formal_Charge	0
15786916	Non-hydrogen_Atom_Count	3
178103	Total_Formal_Charge	0
73162904	Non-hydrogen_Atom_Count	21
105970	Mono_Isotopic_Weight	245.98342370
44244962	Undefined_Bond_Stereo_Count	0
129681809	Defined_Atom_Stereo_Count	0
19600405	Hydrogen_Bond_Donor_Count	0
14511497	Molecular_Weight	117.15
16211113	Structure_Complexity	112
123880197	Non-hydrogen_Atom_Count	8
7006711	XLogP3	0.1
13991585	Exact_Mass	718.15338487
53641062	Undefined_Atom_Stereo_Count	0
73265310	Covalent_Unit_Count	1
10464312	TPSA	34.1
220001	Defined_Bond_Stereo_Count	0
20849107	Rotatable_Bond_Count	11
129852452	Covalent_Unit_Count	1
10866836	Total_Formal_Charge	0
6857536	Undefined_Bond_Stereo_Count	0
124031779	Covalent_Unit_Count	1
60846	Isotope_Atom_Count	0
23394557	Undefined_Bond_Stereo_Count	0
76957773	Isotope_Atom_Count	0
123212370	Defined_Bond_Stereo_Count	0
21599	Undefined_Atom_Stereo_Count	0
9601226	Isotope_Atom_Count	0
197160	Molecular_Weight	338.66
135887831	Covalent_Unit_Count	1
750205	Undefined_Atom_Stereo_Count	0
5284557	Covalent_Unit_Count	1
94357	Isotope_Atom_Count	0
3521	Total_Formal_Charge	0
12511868	XLogP3-AA	1.3
104416	Tautomer_Count	1
24802025	Hydrogen_Bond_Acceptor_Count	11
10285780	Total_Formal_Charge	0
29935	Defined_Atom_Stereo_Count	0
57773	Defined_Atom_Stereo_Count	0
18947655	Defined_Atom_Stereo_Count	0
5942099	Exact_Mass	306.13280507
54419	Covalent_Unit_Count	1
164912	Defined_Bond_Stereo_Count	0
58242	Rotatable_Bond_Count	5
44563178	XLogP3-AA	2.9
90956916	Non-hydrogen_Atom_Count	8
5284476	Molecular_Weight	197.24
88314418	Defined_Atom_Stereo_Count	0
59899303	Non-hydrogen_Atom_Count	8
446284	Structure_Complexity	398
21655019	Undefined_Bond_Stereo_Count	0
5463858	Rotatable_Bond_Count	0
2157	Tautomer_Count	1
4560140	Rotatable_Bond_Count	2
13275542	Structure_Complexity	137
135436520	Defined_Atom_Stereo_Count	0
73619	Non-hydrogen_Atom_Count	47
4942	Total_Formal_Charge	0
16832	Covalent_Unit_Count	1
3739682	TPSA	83.4
23405789	XLogP3-AA	1.6
755071	TPSA	41.9
117217480	Undefined_Bond_Stereo_Count	0
15221251	Hydrogen_Bond_Acceptor_Count	7
28292	Isotope_Atom_Count	0
157903531	Undefined_Bond_Stereo_Count	0
5904	Structure_Complexity	530
28145931	Structure_Complexity	437
114946	Exact_Mass	120.057514874
14706	Mono_Isotopic_Weight	401.13543
10411334	Rotatable_Bond_Count	7
12271349	Undefined_Atom_Stereo_Count	2
89737	Undefined_Bond_Stereo_Count	0
17579	Mono_Isotopic_Weight	365.04868078
36688118	Undefined_Atom_Stereo_Count	0
13118	Tautomer_Count	3
60060441	Defined_Bond_Stereo_Count	0
22047	Non-hydrogen_Atom_Count	23
119086018	Defined_Atom_Stereo_Count	0
62234773	Total_Formal_Charge	0
33498	Exact_Mass	214.04121336
7254	Non-hydrogen_Atom_Count	9
13620760	Hydrogen_Bond_Acceptor_Count	4
12275362	Non-hydrogen_Atom_Count	8
520744	Defined_Atom_Stereo_Count	0
136729	Defined_Atom_Stereo_Count	0
71751937	TPSA	45.6
16211559	Total_Formal_Charge	0
91414	Covalent_Unit_Count	1
535824	Covalent_Unit_Count	1
129010338	Mono_Isotopic_Weight	416.32904526
55007	Mono_Isotopic_Weight	304.088815002
50878566	Isotope_Atom_Count	0
222549	Non-hydrogen_Atom_Count	18
11234806	TPSA	84.1
5148108	Hydrogen_Bond_Donor_Count	2
22608833	Hydrogen_Bond_Donor_Count	1
57855562	Mono_Isotopic_Weight	82.078250319
13738	TPSA	42.2
18861	Tautomer_Count	1
61315	Total_Formal_Charge	0
8764	Rotatable_Bond_Count	2
90942134	Hydrogen_Bond_Acceptor_Count	3
135391044	Rotatable_Bond_Count	9
9877	Mono_Isotopic_Weight	147.9902769
412163	Undefined_Bond_Stereo_Count	0
136183544	Non-hydrogen_Atom_Count	31
37642	TPSA	23.6
60606	Undefined_Bond_Stereo_Count	0
89105	Undefined_Bond_Stereo_Count	0
91435393	Undefined_Atom_Stereo_Count	1
7379	Mono_Isotopic_Weight	164.120115130
9949648	TPSA	41.6
5326971	Covalent_Unit_Count	1
5257127	Structure_Complexity	37.4
6433412	Undefined_Bond_Stereo_Count	0
15940197	Defined_Atom_Stereo_Count	7
32142	Tautomer_Count	1
80710	Mono_Isotopic_Weight	585.02524542
8372	Undefined_Bond_Stereo_Count	0
41170	Total_Formal_Charge	0
16218641	Undefined_Atom_Stereo_Count	0
135413497	Molecular_Weight	266.09
136450	Covalent_Unit_Count	1
20623561	Undefined_Bond_Stereo_Count	0
53309	Total_Formal_Charge	0
2435	Rotatable_Bond_Count	2
152951	Hydrogen_Bond_Donor_Count	5
194647	Mono_Isotopic_Weight	495.16014201
4216	Hydrogen_Bond_Acceptor_Count	4
5289396	Defined_Atom_Stereo_Count	16
60196321	Covalent_Unit_Count	2
54766	TPSA	91.3
165971	Molecular_Weight	151.990
34327	Hydrogen_Bond_Acceptor_Count	0
2724126	Isotope_Atom_Count	0
139600236	Rotatable_Bond_Count	2
221292	TPSA	20.2
53322367	TPSA	57
87402170	Isotope_Atom_Count	0
3035016	Molecular_Weight	483.5
137849	TPSA	17.1
26731	Defined_Atom_Stereo_Count	0
6455792	TPSA	62.8
9948588	Defined_Atom_Stereo_Count	0
70848	Molecular_Weight	233.27
11729	Structure_Complexity	61.8
145705935	Defined_Atom_Stereo_Count	4
4502	TPSA	270
6944	Undefined_Bond_Stereo_Count	0
4	Non-hydrogen_Atom_Count	5
23521592	Exact_Mass	106.053098200
71459166	Rotatable_Bond_Count	4
22320095	Structure_Complexity	83
84682	Isotope_Atom_Count	0
104815	Hydrogen_Bond_Donor_Count	0
54544621	Rotatable_Bond_Count	2
68405	Covalent_Unit_Count	3
12698	Undefined_Bond_Stereo_Count	0
8681	Structure_Complexity	395
17510	Defined_Bond_Stereo_Count	0
11789136	XLogP3-AA	1
129760006	Defined_Atom_Stereo_Count	0
9956726	TPSA	117
550719	Mono_Isotopic_Weight	110.048012819
90617	Undefined_Atom_Stereo_Count	0
16272	Isotope_Atom_Count	0
54246209	Undefined_Bond_Stereo_Count	0
131704233	Exact_Mass	263.129694
6442	Hydrogen_Bond_Acceptor_Count	3
79302	TPSA	20.2
95162413	Mono_Isotopic_Weight	342.11621151
23664617	Hydrogen_Bond_Donor_Count	0
3034	Hydrogen_Bond_Donor_Count	4
53738849	Molecular_Weight	112.09
23663974	Hydrogen_Bond_Donor_Count	3
14029615	Exact_Mass	168.151415257
3015937	Structure_Complexity	104
3038517	Undefined_Bond_Stereo_Count	0
604152	Molecular_Weight	201.26
108054	XLogP3-AA	1.2
12774278	Total_Formal_Charge	0
5326637	Molecular_Weight	273.20
4841	TPSA	46.5
440707	Molecular_Weight	346.5
56846509	Non-hydrogen_Atom_Count	14
41505	Covalent_Unit_Count	1
24841	Defined_Atom_Stereo_Count	0
17750962	Covalent_Unit_Count	2
17963227	Undefined_Bond_Stereo_Count	0
56840877	Isotope_Atom_Count	0
1991	Isotope_Atom_Count	0
136730	Hydrogen_Bond_Acceptor_Count	3
19324	Rotatable_Bond_Count	3
17132	Isotope_Atom_Count	0
10979337	Structure_Complexity	345
5102	Molecular_Weight	394.4
107767	Total_Formal_Charge	0
20508	Defined_Atom_Stereo_Count	0
57993933	Hydrogen_Bond_Acceptor_Count	1
16218641	Defined_Atom_Stereo_Count	0
179334	Tautomer_Count	2
73415790	Exact_Mass	663.10912256
170286	Undefined_Bond_Stereo_Count	0
61930	Isotope_Atom_Count	0
16721	Undefined_Bond_Stereo_Count	0
139133	Covalent_Unit_Count	1
12151528	Structure_Complexity	56
10255482	Undefined_Atom_Stereo_Count	0
3031	Undefined_Atom_Stereo_Count	0
90754	Defined_Atom_Stereo_Count	0
33038	Rotatable_Bond_Count	17
641496	Structure_Complexity	81.8
16767478	Mono_Isotopic_Weight	109.063997236
9795276	Structure_Complexity	245
21117498	Undefined_Atom_Stereo_Count	0
32767	Defined_Bond_Stereo_Count	0
460516	Mono_Isotopic_Weight	244.08076950
213145	XLogP3-AA	0.6
84440	Isotope_Atom_Count	0
101746	Defined_Atom_Stereo_Count	4
41625	Hydrogen_Bond_Acceptor_Count	4
134694983	Exact_Mass	805.56637496
10265934	Rotatable_Bond_Count	3
102192	Non-hydrogen_Atom_Count	21
44151464	Non-hydrogen_Atom_Count	16
5053	Tautomer_Count	1
70695665	Hydrogen_Bond_Acceptor_Count	3
62719	Hydrogen_Bond_Donor_Count	0
8046	Mono_Isotopic_Weight	314.24570956
67497	XLogP3-AA	3.9
107760	Isotope_Atom_Count	0
97050130	Covalent_Unit_Count	1
80478	Structure_Complexity	298
2829432	Isotope_Atom_Count	0
68226	Exact_Mass	335.89723
83063	Rotatable_Bond_Count	3
9815689	Hydrogen_Bond_Donor_Count	0
667684	Structure_Complexity	247
10064061	Defined_Atom_Stereo_Count	2
53486446	Defined_Bond_Stereo_Count	2
54000569	Defined_Atom_Stereo_Count	0
135430970	Defined_Bond_Stereo_Count	0
38031	Non-hydrogen_Atom_Count	15
59471599	XLogP3-AA	0
101603711	Rotatable_Bond_Count	10
69810334	Structure_Complexity	91
5356785	XLogP3	4.8
20811708	XLogP3-AA	1.6
12637126	Mono_Isotopic_Weight	113.047678466
62949	Exact_Mass	268.11063033
90728924	Defined_Bond_Stereo_Count	0
20626699	Rotatable_Bond_Count	2
135977933	Defined_Atom_Stereo_Count	0
619446	Exact_Mass	278.11583301
20708	Isotope_Atom_Count	0
767	TPSA	57.5
34303	XLogP3-AA	6.4
13594	Tautomer_Count	5
86851	Molecular_Weight	160.21
14200416	Defined_Bond_Stereo_Count	0
4514	Mono_Isotopic_Weight	412.1302182
126981343	Defined_Bond_Stereo_Count	0
20543	Rotatable_Bond_Count	10
57358782	Total_Formal_Charge	0
2773	Molecular_Weight	159.21
44719848	Rotatable_Bond_Count	0
2724039	Defined_Bond_Stereo_Count	0
29353	Total_Formal_Charge	0
5205	Isotope_Atom_Count	0
9009	Structure_Complexity	55.7
54507095	Non-hydrogen_Atom_Count	8
20470622	Structure_Complexity	145
733511	Mono_Isotopic_Weight	319.157228913
89033918	Defined_Bond_Stereo_Count	0
60168097	Hydrogen_Bond_Donor_Count	0
71234	Structure_Complexity	362
71648	Hydrogen_Bond_Acceptor_Count	3
11046239	Tautomer_Count	1
21258259	Undefined_Atom_Stereo_Count	0
8871	Defined_Bond_Stereo_Count	0
9547919	Structure_Complexity	748
28754	Undefined_Bond_Stereo_Count	0
123920652	Molecular_Weight	110.20
8606	Undefined_Atom_Stereo_Count	2
88317	XLogP3-AA	0.8
2775003	TPSA	49.3
81770	Molecular_Weight	102.18
11727234	XLogP3-AA	3
21117215	Undefined_Atom_Stereo_Count	2
83895	Hydrogen_Bond_Donor_Count	2
89158693	Molecular_Weight	110.15
2904	Mono_Isotopic_Weight	379.0427261
12747521	Exact_Mass	107.048347172
581676	Covalent_Unit_Count	1
32345	Isotope_Atom_Count	0
7848	Non-hydrogen_Atom_Count	4
117072582	Undefined_Atom_Stereo_Count	1
57780676	Molecular_Weight	102.14
54459	TPSA	42.8
10877079	Structure_Complexity	93.4
85916	Isotope_Atom_Count	0
75496	Undefined_Bond_Stereo_Count	0
136920818	Defined_Bond_Stereo_Count	0
9931156	Covalent_Unit_Count	1
68940	Undefined_Bond_Stereo_Count	0
56955933	Hydrogen_Bond_Donor_Count	0
83146	Exact_Mass	158.118103753
4937	Molecular_Weight	229.71
169607	Tautomer_Count	2
156618186	Undefined_Atom_Stereo_Count	0
19933060	Structure_Complexity	60.5
11625818	Defined_Atom_Stereo_Count	1
123161	Hydrogen_Bond_Acceptor_Count	0
96389	XLogP3	2.2
5103	Covalent_Unit_Count	1
72462	Hydrogen_Bond_Acceptor_Count	6
40466996	Hydrogen_Bond_Donor_Count	1
5553	Isotope_Atom_Count	0
81217	Tautomer_Count	1
12456	Rotatable_Bond_Count	2
136097	Rotatable_Bond_Count	0
41881	Non-hydrogen_Atom_Count	30
33	Molecular_Weight	78.50
132031748	Total_Formal_Charge	0
2212	Exact_Mass	609.35263424
672296	Rotatable_Bond_Count	1
233552	Rotatable_Bond_Count	4
45380893	Undefined_Atom_Stereo_Count	0
9549168	Undefined_Bond_Stereo_Count	0
77554	Structure_Complexity	302
23694671	Undefined_Bond_Stereo_Count	0
5249209	Structure_Complexity	326
11908386	Defined_Atom_Stereo_Count	10
10871	Hydrogen_Bond_Donor_Count	1
49857672	Covalent_Unit_Count	1
509554	Exact_Mass	356.16371127
2724290	Defined_Bond_Stereo_Count	0
38102	Undefined_Bond_Stereo_Count	0
78457	TPSA	72.6
18624859	Undefined_Atom_Stereo_Count	0
460987	Defined_Atom_Stereo_Count	6
19754146	Undefined_Bond_Stereo_Count	0
22627013	Hydrogen_Bond_Acceptor_Count	2
402871	Hydrogen_Bond_Donor_Count	0
83967	Exact_Mass	312.07799279
90728	Exact_Mass	116.047344113
70969	Tautomer_Count	1
44225660	Molecular_Weight	535.8
13399	Isotope_Atom_Count	0
287064	Molecular_Weight	168.15
24181110	Tautomer_Count	2
53878449	Rotatable_Bond_Count	0
128907	Undefined_Atom_Stereo_Count	0
14782182	Molecular_Weight	115.17
70695760	Covalent_Unit_Count	1
2815	Non-hydrogen_Atom_Count	20
96257	Hydrogen_Bond_Acceptor_Count	6
14459015	Hydrogen_Bond_Acceptor_Count	5
561096	Molecular_Weight	92.14
5497143	Hydrogen_Bond_Acceptor_Count	22
95705	Undefined_Bond_Stereo_Count	0
21359	Isotope_Atom_Count	0
3086618	Rotatable_Bond_Count	7
10285780	Isotope_Atom_Count	0
7842	Rotatable_Bond_Count	0
84647683	Molecular_Weight	113.12
440699	Tautomer_Count	9
1077757	Defined_Atom_Stereo_Count	0
54738	Rotatable_Bond_Count	3
639288	Structure_Complexity	528
5719	Isotope_Atom_Count	0
24958200	Total_Formal_Charge	0
65874	Tautomer_Count	5
94543	Structure_Complexity	174
26710	Defined_Bond_Stereo_Count	0
24208748	Undefined_Bond_Stereo_Count	0
59173	Non-hydrogen_Atom_Count	18
67502	Structure_Complexity	95.2
134688044	Hydrogen_Bond_Acceptor_Count	3
5281899	Total_Formal_Charge	0
11625425	XLogP3-AA	3.4
163285285	Exact_Mass	288.020082
10130270	Defined_Bond_Stereo_Count	0
51039030	Tautomer_Count	6
61375	Defined_Atom_Stereo_Count	0
6777	Hydrogen_Bond_Acceptor_Count	4
6913	Exact_Mass	135.104799419
102239760	Structure_Complexity	1410
3871	Mono_Isotopic_Weight	344.13186158
49771530	Molecular_Weight	88.06
45085092	Structure_Complexity	97.8
14066	Molecular_Weight	102.13
731747	Rotatable_Bond_Count	3
25262965	Defined_Atom_Stereo_Count	2
6800	Rotatable_Bond_Count	1
44623071	Rotatable_Bond_Count	0
130845868	Covalent_Unit_Count	1
442793	Non-hydrogen_Atom_Count	21
49968	Total_Formal_Charge	0
46869955	Mono_Isotopic_Weight	409.14601278
332226	Hydrogen_Bond_Acceptor_Count	3
56927879	Non-hydrogen_Atom_Count	104
136266076	Defined_Atom_Stereo_Count	0
77388	Non-hydrogen_Atom_Count	22
185902	Non-hydrogen_Atom_Count	27
9116	Defined_Atom_Stereo_Count	0
22123753	Rotatable_Bond_Count	4
122980	Defined_Atom_Stereo_Count	0
4552	Molecular_Weight	362.23
59471599	Isotope_Atom_Count	0
134669	Total_Formal_Charge	0
9361	Defined_Bond_Stereo_Count	0
141028526	Isotope_Atom_Count	0
117217480	Undefined_Atom_Stereo_Count	0
146345448	TPSA	30.5
64992139	Rotatable_Bond_Count	1
66330	Exact_Mass	178.062994177
21615038	Hydrogen_Bond_Acceptor_Count	4
66603137	Isotope_Atom_Count	0
5182526	Hydrogen_Bond_Donor_Count	0
154	Exact_Mass	313.06750147
58044734	Exact_Mass	99.068413911
12507028	Undefined_Bond_Stereo_Count	0
66704467	Defined_Bond_Stereo_Count	0
137224318	Exact_Mass	500.18484064
51380895	Hydrogen_Bond_Donor_Count	1
28692	Non-hydrogen_Atom_Count	21
89737	Undefined_Atom_Stereo_Count	0
641385	Exact_Mass	453.02218945
82461	Non-hydrogen_Atom_Count	14
165337	Hydrogen_Bond_Donor_Count	0
70715	TPSA	64.7
5702279	Hydrogen_Bond_Acceptor_Count	18
5284553	Undefined_Bond_Stereo_Count	0
4046	Hydrogen_Bond_Acceptor_Count	9
9570639	Total_Formal_Charge	0
12263	Hydrogen_Bond_Acceptor_Count	2
2752647	TPSA	17.1
41793	Undefined_Bond_Stereo_Count	0
17997105	Structure_Complexity	91.7
72916	Total_Formal_Charge	0
17457	Structure_Complexity	374
403647	Hydrogen_Bond_Donor_Count	1
115118	Hydrogen_Bond_Acceptor_Count	5
3054609	TPSA	159
383414	Non-hydrogen_Atom_Count	71
4459	Molecular_Weight	302.4
129864962	Mono_Isotopic_Weight	322.11398438
8818	Tautomer_Count	2
3355	Non-hydrogen_Atom_Count	28
54129211	Rotatable_Bond_Count	1
10900	Tautomer_Count	1
11704019	TPSA	59.4
117476	Hydrogen_Bond_Acceptor_Count	2
41170	Isotope_Atom_Count	0
28425	Molecular_Weight	249.3
197465	Undefined_Bond_Stereo_Count	0
22386086	Exact_Mass	115.063328530
12571167	Hydrogen_Bond_Donor_Count	0
35898	Hydrogen_Bond_Acceptor_Count	3
163779583	XLogP3-AA	1.7
1381	TPSA	74.2
5487542	Rotatable_Bond_Count	5
6632	Defined_Atom_Stereo_Count	0
2736256	Isotope_Atom_Count	0
10390369	Undefined_Bond_Stereo_Count	0
68187620	Defined_Bond_Stereo_Count	0
123976	Undefined_Bond_Stereo_Count	0
568783	Rotatable_Bond_Count	2
5288033	Non-hydrogen_Atom_Count	19
7909	Total_Formal_Charge	0
149236349	Undefined_Bond_Stereo_Count	0
56950301	Structure_Complexity	732
42713	Undefined_Bond_Stereo_Count	0
118318030	Non-hydrogen_Atom_Count	36
12669582	Total_Formal_Charge	0
529031	Rotatable_Bond_Count	1
551174	Total_Formal_Charge	0
29385	Covalent_Unit_Count	1
236146	TPSA	23.8
395106	Non-hydrogen_Atom_Count	25
444795	Total_Formal_Charge	0
22561495	Structure_Complexity	192
12309460	Non-hydrogen_Atom_Count	19
5783	Defined_Atom_Stereo_Count	0
4136	Hydrogen_Bond_Donor_Count	1
57394709	Undefined_Bond_Stereo_Count	0
91582439	Rotatable_Bond_Count	0
3023651	Isotope_Atom_Count	0
518234	Hydrogen_Bond_Donor_Count	0
12310946	Hydrogen_Bond_Acceptor_Count	0
14708	Mono_Isotopic_Weight	330.230728204
24780	Structure_Complexity	760
349252	Total_Formal_Charge	0
137938997	TPSA	21.8
70141017	Rotatable_Bond_Count	0
7077	Defined_Bond_Stereo_Count	0
70825	Molecular_Weight	206.32
129746471	TPSA	21.8
10493732	Mono_Isotopic_Weight	290.199428076
419293	Isotope_Atom_Count	0
6481	Molecular_Weight	244.37
11174789	Non-hydrogen_Atom_Count	24
6458	Non-hydrogen_Atom_Count	20
15461361	Covalent_Unit_Count	1
237953	Undefined_Atom_Stereo_Count	0
154109449	Hydrogen_Bond_Donor_Count	1
23434	Structure_Complexity	425
2734230	TPSA	8.8
15817734	Defined_Bond_Stereo_Count	0
5702098	Hydrogen_Bond_Acceptor_Count	3
21687221	Structure_Complexity	125
21123938	Undefined_Bond_Stereo_Count	0
52948154	XLogP3-AA	4.6
439213	Rotatable_Bond_Count	1
11309477	TPSA	9.2
70683717	Non-hydrogen_Atom_Count	33
87310	Exact_Mass	177.04596439
7951	Defined_Bond_Stereo_Count	0
53388310	Structure_Complexity	559
12708563	Hydrogen_Bond_Acceptor_Count	1
3705	Defined_Bond_Stereo_Count	0
104726	Defined_Atom_Stereo_Count	0
6537152	Covalent_Unit_Count	1
22600970	Defined_Bond_Stereo_Count	0
62871	Isotope_Atom_Count	0
71457293	Exact_Mass	469.1404486
10474339	Mono_Isotopic_Weight	370.0332044
532	Defined_Bond_Stereo_Count	0
923638	Hydrogen_Bond_Donor_Count	3
68835	Hydrogen_Bond_Acceptor_Count	3
5280980	TPSA	87.1
19284	Rotatable_Bond_Count	16
64666310	Rotatable_Bond_Count	3
73957	Covalent_Unit_Count	2
21047	Mono_Isotopic_Weight	397.24259324
164608	Total_Formal_Charge	0
16016	Defined_Bond_Stereo_Count	0
130429734	Undefined_Bond_Stereo_Count	0
153577917	TPSA	9.2
71773445	XLogP3	0.3
11206	Undefined_Atom_Stereo_Count	0
11652722	Covalent_Unit_Count	1
9571004	Total_Formal_Charge	0
22377554	Non-hydrogen_Atom_Count	8
152057	Hydrogen_Bond_Acceptor_Count	3
93147	Hydrogen_Bond_Acceptor_Count	2
21330	Covalent_Unit_Count	1
44349928	TPSA	62.9
13389335	Hydrogen_Bond_Donor_Count	1
84930	Isotope_Atom_Count	0
42602351	Rotatable_Bond_Count	6
19793984	Defined_Bond_Stereo_Count	0
12682028	Hydrogen_Bond_Donor_Count	2
7891	Undefined_Atom_Stereo_Count	0
179547	Isotope_Atom_Count	0
66587064	Hydrogen_Bond_Donor_Count	2
38945	Molecular_Weight	192.26
480785	Exact_Mass	424.18858861
5878	Defined_Bond_Stereo_Count	0
19595920	Rotatable_Bond_Count	0
139291782	Total_Formal_Charge	0
60209582	TPSA	75.7
138673	XLogP3-AA	1.5
179547	Molecular_Weight	144.09
54680694	Undefined_Bond_Stereo_Count	0
103451510	Undefined_Atom_Stereo_Count	1
2132	Molecular_Weight	378.10
637932	Mono_Isotopic_Weight	84.05512859
59970187	Undefined_Bond_Stereo_Count	0
11966129	Structure_Complexity	1680
5281894	Defined_Atom_Stereo_Count	0
21711104	Structure_Complexity	92.4
285552	Defined_Bond_Stereo_Count	0
118704759	Defined_Atom_Stereo_Count	1
82418995	Hydrogen_Bond_Donor_Count	1
220338	TPSA	37.3
441306	Molecular_Weight	475.6
63002	Non-hydrogen_Atom_Count	38
20438510	Defined_Atom_Stereo_Count	0
129695690	Defined_Bond_Stereo_Count	0
8296	Undefined_Bond_Stereo_Count	0
62731702	Total_Formal_Charge	0
319954	Defined_Bond_Stereo_Count	0
54584753	Molecular_Weight	424.5
4688	Undefined_Bond_Stereo_Count	0
68186	Undefined_Bond_Stereo_Count	0
131634493	Isotope_Atom_Count	0
96638024	TPSA	25.2
12865500	Exact_Mass	116.083729621
522996	Covalent_Unit_Count	1
2779183	Isotope_Atom_Count	0
15229227	Mono_Isotopic_Weight	231.0450916
22805729	Structure_Complexity	621
5252481	Total_Formal_Charge	0
23488	Undefined_Bond_Stereo_Count	0
52366	Exact_Mass	179.094628657
5280483	Covalent_Unit_Count	1
1718	Non-hydrogen_Atom_Count	23
90876	Structure_Complexity	834
12959090	Hydrogen_Bond_Acceptor_Count	2
92180	Hydrogen_Bond_Donor_Count	2
6538991	Hydrogen_Bond_Acceptor_Count	7
18361854	Total_Formal_Charge	0
70819549	Undefined_Atom_Stereo_Count	0
12298579	Undefined_Atom_Stereo_Count	0
21996048	Covalent_Unit_Count	1
31217	Undefined_Bond_Stereo_Count	0
68494	Mono_Isotopic_Weight	286.05897142
164633	Defined_Atom_Stereo_Count	2
100641	Total_Formal_Charge	0
65453	TPSA	214
90479422	Covalent_Unit_Count	1
11808	Exact_Mass	257.97524
62802	Undefined_Atom_Stereo_Count	0
1765	Hydrogen_Bond_Acceptor_Count	13
29025	Defined_Bond_Stereo_Count	0
7056	Undefined_Atom_Stereo_Count	0
6437358	Molecular_Weight	625.7
20038	XLogP3	3
729483	Undefined_Atom_Stereo_Count	0
429016	Defined_Bond_Stereo_Count	0
74766064	Total_Formal_Charge	0
12698	Defined_Atom_Stereo_Count	0
628889	Mono_Isotopic_Weight	315.0217694
86384	Defined_Bond_Stereo_Count	0
12313523	Defined_Atom_Stereo_Count	5
9801235	XLogP3-AA	4
76356	Undefined_Atom_Stereo_Count	0
123754760	Hydrogen_Bond_Donor_Count	0
65573986	Hydrogen_Bond_Acceptor_Count	1
521324	Mono_Isotopic_Weight	101.084063974
17776820	Exact_Mass	110.109550447
23278143	Non-hydrogen_Atom_Count	19
93092	TPSA	24.7
107968	Molecular_Weight	205.28
11485	Hydrogen_Bond_Acceptor_Count	1
23521244	Hydrogen_Bond_Acceptor_Count	0
44480399	Exact_Mass	393.13247072
7491	Mono_Isotopic_Weight	166.074227566
69689	Tautomer_Count	3
12245073	Undefined_Bond_Stereo_Count	0
20281045	Hydrogen_Bond_Donor_Count	0
5284570	TPSA	49.8
494023	Covalent_Unit_Count	1
65124	TPSA	129
12428018	Covalent_Unit_Count	1
9824345	Molecular_Weight	436.5
65388	Undefined_Bond_Stereo_Count	0
13401998	Hydrogen_Bond_Donor_Count	1
21138	Covalent_Unit_Count	1
19044091	Non-hydrogen_Atom_Count	7
60993	Covalent_Unit_Count	1
25380	Undefined_Bond_Stereo_Count	0
24864821	Molecular_Weight	383.4
3459	Defined_Bond_Stereo_Count	0
83681	TPSA	0
97617	Undefined_Atom_Stereo_Count	0
11843834	Undefined_Atom_Stereo_Count	0
14010333	Hydrogen_Bond_Acceptor_Count	4
8264	Defined_Atom_Stereo_Count	0
54269666	Non-hydrogen_Atom_Count	6
147707442	Defined_Atom_Stereo_Count	10
159326	Structure_Complexity	516
129859529	TPSA	20.3
6993950	Defined_Atom_Stereo_Count	0
25015	Defined_Atom_Stereo_Count	4
135465076	Defined_Bond_Stereo_Count	1
9983292	Undefined_Atom_Stereo_Count	0
85844257	TPSA	0
131664	Total_Formal_Charge	0
136362	Mono_Isotopic_Weight	88.100048391
11684684	Hydrogen_Bond_Donor_Count	3
54143259	Non-hydrogen_Atom_Count	7
5325504	Isotope_Atom_Count	0
3036864	Hydrogen_Bond_Donor_Count	1
134824657	Mono_Isotopic_Weight	529.21726296
97747	Molecular_Weight	254.41
57452	Molecular_Weight	210.66
156592059	Exact_Mass	895.04440356
21832123	TPSA	51.8
116129411	Total_Formal_Charge	0
87291665	Isotope_Atom_Count	0
53249048	Undefined_Bond_Stereo_Count	0
21911205	Undefined_Atom_Stereo_Count	1
13082452	XLogP3-AA	1
61631	Hydrogen_Bond_Acceptor_Count	2
6960	Hydrogen_Bond_Donor_Count	0
71825	Exact_Mass	256.109944368
14728565	Non-hydrogen_Atom_Count	15
5284448	XLogP3-AA	5.3
12814873	Structure_Complexity	415
2014	Molecular_Weight	288.73
9799	Covalent_Unit_Count	1
129	Tautomer_Count	2
71124	Isotope_Atom_Count	0
8002585	Defined_Bond_Stereo_Count	0
10531	Covalent_Unit_Count	1
447508	Undefined_Bond_Stereo_Count	0
148546849	Defined_Bond_Stereo_Count	0
52947103	Rotatable_Bond_Count	7
85495	Undefined_Bond_Stereo_Count	0
123489618	Structure_Complexity	117
11309	TPSA	0
705497	Defined_Atom_Stereo_Count	0
93101	Tautomer_Count	1
11020241	Structure_Complexity	232
76449347	Hydrogen_Bond_Donor_Count	3
20563296	Defined_Bond_Stereo_Count	0
144189552	Exact_Mass	113.047678466
153519852	Rotatable_Bond_Count	2
637932	Undefined_Atom_Stereo_Count	0
164075219	Hydrogen_Bond_Acceptor_Count	0
91617	Molecular_Weight	534.5
2192	Defined_Bond_Stereo_Count	0
192154	Total_Formal_Charge	0
90258	Covalent_Unit_Count	1
136142	Covalent_Unit_Count	1
5362	Total_Formal_Charge	0
558363	Mono_Isotopic_Weight	99.104799419
11225102	Rotatable_Bond_Count	6
52944532	Undefined_Bond_Stereo_Count	0
6918141	Tautomer_Count	1
13000487	Structure_Complexity	0
16682993	Defined_Atom_Stereo_Count	0
93798	Molecular_Weight	475.3
572565	Undefined_Bond_Stereo_Count	0
17522	TPSA	83.6
12339044	Isotope_Atom_Count	0
47319	Molecular_Weight	929.1
9862	Rotatable_Bond_Count	3
53643899	Mono_Isotopic_Weight	158.05790880
59540609	Mono_Isotopic_Weight	111.068413911
11601669	Exact_Mass	286.193280068
10290764	Hydrogen_Bond_Donor_Count	2
9653	Molecular_Weight	276.4
23675747	Hydrogen_Bond_Acceptor_Count	4
15158	Hydrogen_Bond_Donor_Count	0
1491	Isotope_Atom_Count	0
25217475	Defined_Atom_Stereo_Count	3
205586	Defined_Atom_Stereo_Count	1
57229732	Total_Formal_Charge	0
7346	Defined_Bond_Stereo_Count	0
12468309	Non-hydrogen_Atom_Count	8
44134719	Hydrogen_Bond_Donor_Count	5
126961564	Covalent_Unit_Count	1
10044792	Hydrogen_Bond_Acceptor_Count	6
165079254	Hydrogen_Bond_Donor_Count	2
3035829	Rotatable_Bond_Count	4
31202	Covalent_Unit_Count	2
153142415	Defined_Bond_Stereo_Count	0
312666	Mono_Isotopic_Weight	100.063662883
97617	Defined_Atom_Stereo_Count	0
54573150	Mono_Isotopic_Weight	111.068413911
12712037	Defined_Bond_Stereo_Count	0
23471	Covalent_Unit_Count	1
170364	Total_Formal_Charge	0
10455790	Mono_Isotopic_Weight	438.14920402
25654	TPSA	131
71335300	Undefined_Bond_Stereo_Count	0
83904773	Hydrogen_Bond_Acceptor_Count	1
12271341	Covalent_Unit_Count	1
8011	Undefined_Atom_Stereo_Count	0
102069	Defined_Bond_Stereo_Count	0
13843	TPSA	50.1
520148	Tautomer_Count	1
122669	XLogP3-AA	1.8
12297	Hydrogen_Bond_Donor_Count	1
587128	Non-hydrogen_Atom_Count	11
71484	Structure_Complexity	995
35911	Covalent_Unit_Count	1
28610	Rotatable_Bond_Count	7
54676038	Exact_Mass	336.06338810
156651923	Undefined_Atom_Stereo_Count	2
14257662	Defined_Bond_Stereo_Count	0
5094384	Rotatable_Bond_Count	0
12724643	Molecular_Weight	112.17
25181471	Total_Formal_Charge	0
22627013	Undefined_Bond_Stereo_Count	0
71341	Mono_Isotopic_Weight	349.01123610
183809	Rotatable_Bond_Count	4
44348	Covalent_Unit_Count	1
824784	Total_Formal_Charge	0
123628	Structure_Complexity	369
5366925	Mono_Isotopic_Weight	188.9748192
1284234	Structure_Complexity	223
44593340	Undefined_Bond_Stereo_Count	0
577	Exact_Mass	342.14002096
18458	Rotatable_Bond_Count	2
23525700	Isotope_Atom_Count	0
71517867	Defined_Atom_Stereo_Count	1
99474	Undefined_Bond_Stereo_Count	0
9805635	Covalent_Unit_Count	1
278711	Structure_Complexity	690
15430	Covalent_Unit_Count	1
13367	Hydrogen_Bond_Acceptor_Count	1
13810472	Hydrogen_Bond_Acceptor_Count	1
142891	Rotatable_Bond_Count	3
19594968	Structure_Complexity	31.9
70381	Defined_Atom_Stereo_Count	0
71955	Structure_Complexity	278
64973730	Rotatable_Bond_Count	3
23087	XLogP3	2.4
5213	Undefined_Bond_Stereo_Count	0
86677009	Total_Formal_Charge	0
60165516	Non-hydrogen_Atom_Count	20
92722	XLogP3-AA	1.3
2828	Structure_Complexity	509
67615000	Isotope_Atom_Count	0
9535	Defined_Bond_Stereo_Count	0
87446	Rotatable_Bond_Count	0
61789	Total_Formal_Charge	0
69429	XLogP3-AA	7.8
76198	Rotatable_Bond_Count	3
52938427	Mono_Isotopic_Weight	404.18484064
45359047	Mono_Isotopic_Weight	372.24922409
440728	Defined_Bond_Stereo_Count	0
123268	TPSA	40.1
9942133	Structure_Complexity	101
9949821	Covalent_Unit_Count	1
2967	Tautomer_Count	3
5411	Hydrogen_Bond_Donor_Count	1
16623	Undefined_Atom_Stereo_Count	0
14805	Total_Formal_Charge	0
23847	Undefined_Bond_Stereo_Count	0
114523	Total_Formal_Charge	0
95724	Tautomer_Count	3
694052	Defined_Atom_Stereo_Count	1
118388029	Undefined_Bond_Stereo_Count	0
54583932	Defined_Atom_Stereo_Count	1
6708461	Structure_Complexity	1370
55278707	Undefined_Bond_Stereo_Count	0
31353	Undefined_Atom_Stereo_Count	1
5486793	Non-hydrogen_Atom_Count	24
60196372	Undefined_Bond_Stereo_Count	0
5281771	Covalent_Unit_Count	1
54187438	Non-hydrogen_Atom_Count	7
12231382	TPSA	9.2
8370	Defined_Bond_Stereo_Count	0
10130524	Covalent_Unit_Count	1
6436541	TPSA	35.9
129885959	Hydrogen_Bond_Donor_Count	6
12284866	Structure_Complexity	64
86088606	Isotope_Atom_Count	0
5281437	Isotope_Atom_Count	0
5283742	Molecular_Weight	416.6
26690	Exact_Mass	199.193614421
11865423	Rotatable_Bond_Count	11
74828	Molecular_Weight	136.62
62517	Molecular_Weight	578.4
89678335	Covalent_Unit_Count	1
5702285	Mono_Isotopic_Weight	263.0843696
287983	Non-hydrogen_Atom_Count	6
5347	Exact_Mass	820.53704916
56619338	Molecular_Weight	170.08
44183	Defined_Atom_Stereo_Count	0
57751150	Molecular_Weight	113.11
90487065	Molecular_Weight	112.13
85301	XLogP3	1.4
46274	Hydrogen_Bond_Donor_Count	1
2676	Defined_Atom_Stereo_Count	0
73921	Covalent_Unit_Count	1
13950369	Covalent_Unit_Count	1
44123754	Hydrogen_Bond_Donor_Count	2
25142312	XLogP3-AA	3.1
59185552	Covalent_Unit_Count	1
636345	Defined_Bond_Stereo_Count	0
4616	Non-hydrogen_Atom_Count	20
86640	Hydrogen_Bond_Donor_Count	0
6819	Undefined_Bond_Stereo_Count	0
57782	Exact_Mass	280.15354051
66576989	Undefined_Atom_Stereo_Count	0
52421	TPSA	116
31170	Undefined_Atom_Stereo_Count	0
55362	Undefined_Bond_Stereo_Count	0
7230	Exact_Mass	238.05984080
64965	Exact_Mass	413.03098
10110	Hydrogen_Bond_Donor_Count	1
164075219	Undefined_Atom_Stereo_Count	2
91453	Exact_Mass	430.30830982
1964	Undefined_Bond_Stereo_Count	1
65920	Undefined_Bond_Stereo_Count	0
118197550	Exact_Mass	103.063328530
98306	Defined_Bond_Stereo_Count	0
65663	Undefined_Atom_Stereo_Count	0
8372	Structure_Complexity	480
404289	Undefined_Bond_Stereo_Count	0
107905	Defined_Atom_Stereo_Count	2
5328791	Isotope_Atom_Count	0
10478302	Defined_Atom_Stereo_Count	0
5354004	Non-hydrogen_Atom_Count	22
21900379	Structure_Complexity	61.5
2984	Undefined_Atom_Stereo_Count	0
86289608	Undefined_Atom_Stereo_Count	0
115011059	Total_Formal_Charge	0
77941	Hydrogen_Bond_Donor_Count	1
10131269	Total_Formal_Charge	0
31378	XLogP3	1.7
11496886	Non-hydrogen_Atom_Count	26
91610	Defined_Atom_Stereo_Count	0
21026	Non-hydrogen_Atom_Count	11
71456725	Undefined_Bond_Stereo_Count	0
460612	TPSA	66.6
62760	Tautomer_Count	1
7421	Rotatable_Bond_Count	1
15568	Exact_Mass	286.11782371
225609	Total_Formal_Charge	0
65575055	Defined_Bond_Stereo_Count	0
11662332	Covalent_Unit_Count	1
25150	Isotope_Atom_Count	0
45116684	Covalent_Unit_Count	1
185495	Tautomer_Count	1
44562492	Mono_Isotopic_Weight	389.10856464
5238	Covalent_Unit_Count	2
57037620	Covalent_Unit_Count	1
68013637	Defined_Atom_Stereo_Count	4
82191	Non-hydrogen_Atom_Count	8
45256107	Defined_Atom_Stereo_Count	0
88890	Mono_Isotopic_Weight	280.193948774
71785	Defined_Bond_Stereo_Count	0
56603728	Hydrogen_Bond_Acceptor_Count	5
51997	TPSA	62.6
6518	Structure_Complexity	311
16627	Rotatable_Bond_Count	4
34239	Rotatable_Bond_Count	2
3086514	Structure_Complexity	379
135505	Molecular_Weight	243.35
137530132	Structure_Complexity	879
156418	Hydrogen_Bond_Acceptor_Count	4
12321787	Defined_Atom_Stereo_Count	1
77345	Undefined_Atom_Stereo_Count	0
91456	Structure_Complexity	207
4726	Covalent_Unit_Count	1
16134490	XLogP3-AA	4.5
395999	Defined_Bond_Stereo_Count	0
5635	Isotope_Atom_Count	0
16220118	Isotope_Atom_Count	0
24900942	Structure_Complexity	656
54925	TPSA	115
534838	Undefined_Bond_Stereo_Count	1
183679	Isotope_Atom_Count	0
82418980	Molecular_Weight	112.09
5281764	Rotatable_Bond_Count	11
56851705	Hydrogen_Bond_Donor_Count	3
5459211	Total_Formal_Charge	0
24197462	TPSA	76.6
122172945	Defined_Bond_Stereo_Count	1
31200	Undefined_Atom_Stereo_Count	0
2761494	Tautomer_Count	5
73950789	Defined_Bond_Stereo_Count	0
216247	Isotope_Atom_Count	0
439570	TPSA	17.1
53903478	Isotope_Atom_Count	0
139061810	Rotatable_Bond_Count	9
11919	TPSA	0
24312	TPSA	12.9
12498	Molecular_Weight	290.19
4135	Isotope_Atom_Count	0
45271369	XLogP3-AA	3.7
17963	Non-hydrogen_Atom_Count	22
6488	Tautomer_Count	5
516356	Structure_Complexity	904
9927988	Exact_Mass	342.11621151
373735	Rotatable_Bond_Count	8
21987892	Undefined_Atom_Stereo_Count	0
16318	Non-hydrogen_Atom_Count	22
21935075	Defined_Bond_Stereo_Count	0
57341282	Hydrogen_Bond_Acceptor_Count	15
17899	Exact_Mass	226.266051085
192711	XLogP3-AA	4.2
59296066	Isotope_Atom_Count	0
89770232	Hydrogen_Bond_Acceptor_Count	11
8949	Exact_Mass	213.9963942
11534837	Undefined_Bond_Stereo_Count	0
123891134	Rotatable_Bond_Count	1
61574	Hydrogen_Bond_Acceptor_Count	3
11329359	Isotope_Atom_Count	0
51086	Undefined_Atom_Stereo_Count	0
64334	Hydrogen_Bond_Acceptor_Count	2
65589	Molecular_Weight	296.4
10041070	Defined_Bond_Stereo_Count	0
5351811	TPSA	65
101815861	Defined_Bond_Stereo_Count	0
68260574	Total_Formal_Charge	0
11321106	TPSA	8.8
135565472	Structure_Complexity	1050
25050	Rotatable_Bond_Count	1
71335	Structure_Complexity	679
704314	Exact_Mass	302.01836991
54203587	Total_Formal_Charge	0
25015463	Hydrogen_Bond_Acceptor_Count	8
3020	Covalent_Unit_Count	1
83818	Mono_Isotopic_Weight	417.1584211
123892631	TPSA	37.3
4920	Defined_Atom_Stereo_Count	0
135461001	Exact_Mass	433.13459597
71829	Mono_Isotopic_Weight	382.1037253
78874	Isotope_Atom_Count	0
5246420	Molecular_Weight	280.50
94169	Tautomer_Count	1
54732242	Defined_Atom_Stereo_Count	4
13684986	Total_Formal_Charge	0
24257	Structure_Complexity	163
9604	Tautomer_Count	1
40466858	Hydrogen_Bond_Donor_Count	1
24875318	Rotatable_Bond_Count	6
74190	Non-hydrogen_Atom_Count	7
8069	Covalent_Unit_Count	1
638105	Molecular_Weight	80.08
79946	TPSA	221
14829	Defined_Bond_Stereo_Count	0
14012376	Covalent_Unit_Count	1
67825	Defined_Bond_Stereo_Count	0
12118	Molecular_Weight	191.27
16375	Structure_Complexity	48.1
15904	Defined_Atom_Stereo_Count	0
5622	Hydrogen_Bond_Acceptor_Count	8
47027	Hydrogen_Bond_Acceptor_Count	1
137700140	Hydrogen_Bond_Acceptor_Count	4
43507	Isotope_Atom_Count	0
87609775	Defined_Atom_Stereo_Count	2
718449	XLogP3-AA	1.8
57398255	Exact_Mass	479.16272547
5354626	Hydrogen_Bond_Acceptor_Count	3
448372	Non-hydrogen_Atom_Count	15
12303662	Hydrogen_Bond_Donor_Count	1
2724039	Mono_Isotopic_Weight	209.94550188
140248	XLogP3-AA	0.1
24917007	Defined_Bond_Stereo_Count	0
49769064	Rotatable_Bond_Count	9
149514711	Molecular_Weight	112.17
25138203	Molecular_Weight	354.4
20015	Total_Formal_Charge	0
816	Rotatable_Bond_Count	6
11558904	Molecular_Weight	326.4
12729368	Undefined_Bond_Stereo_Count	0
70691486	Undefined_Atom_Stereo_Count	0
715567	TPSA	69
15188270	Defined_Bond_Stereo_Count	0
7247	XLogP3-AA	3
61293	Undefined_Bond_Stereo_Count	0
62332	Isotope_Atom_Count	0
11029783	Defined_Bond_Stereo_Count	0
4668904	Undefined_Bond_Stereo_Count	0
99129	Hydrogen_Bond_Donor_Count	0
441344	Undefined_Bond_Stereo_Count	0
56665393	Isotope_Atom_Count	0
442632	Undefined_Atom_Stereo_Count	0
2853	Mono_Isotopic_Weight	515.27438392
87869	TPSA	213
11060054	Undefined_Atom_Stereo_Count	0
88959077	Hydrogen_Bond_Acceptor_Count	2
11332423	Undefined_Bond_Stereo_Count	0
9574768	Total_Formal_Charge	0
406563	Defined_Bond_Stereo_Count	0
47576	Undefined_Bond_Stereo_Count	0
21192690	Hydrogen_Bond_Donor_Count	1
443131	Rotatable_Bond_Count	2
43029	Rotatable_Bond_Count	6
11164	Rotatable_Bond_Count	1
62209	Structure_Complexity	152
54557	XLogP3	2.8
6560	Undefined_Bond_Stereo_Count	0
15652148	Molecular_Weight	125.13
4389	Rotatable_Bond_Count	4
24203	Rotatable_Bond_Count	0
10253143	Molecular_Weight	449.3
71301276	Tautomer_Count	1
3081411	TPSA	340
54069261	Undefined_Atom_Stereo_Count	1
31393	Exact_Mass	377.786786
139024271	Undefined_Bond_Stereo_Count	0
13483371	Undefined_Atom_Stereo_Count	0
135554441	Undefined_Atom_Stereo_Count	0
3548422	Covalent_Unit_Count	1
91586	Molecular_Weight	97.12
135564558	Undefined_Atom_Stereo_Count	0
6327114	Molecular_Weight	109.04
155895288	Rotatable_Bond_Count	1
192154	Hydrogen_Bond_Donor_Count	0
15884	Structure_Complexity	169
53319933	Molecular_Weight	242.30
54704426	Structure_Complexity	971
7021156	Undefined_Atom_Stereo_Count	0
23354329	Structure_Complexity	111
4571	Undefined_Bond_Stereo_Count	0
186183	Undefined_Bond_Stereo_Count	0
521874	Mono_Isotopic_Weight	83.0137915
10686	Covalent_Unit_Count	1
80487728	Defined_Atom_Stereo_Count	0
3032854	Hydrogen_Bond_Acceptor_Count	2
33255	Rotatable_Bond_Count	7
16787580	Defined_Bond_Stereo_Count	0
20784398	Rotatable_Bond_Count	2
704232	Mono_Isotopic_Weight	312.14739250
65802	Undefined_Bond_Stereo_Count	0
68740	Molecular_Weight	272.09
9840851	Molecular_Weight	339.4
117488	Isotope_Atom_Count	0
12021642	Hydrogen_Bond_Donor_Count	1
13490845	Exact_Mass	447.27734404
16131300	Hydrogen_Bond_Acceptor_Count	46
14169893	Undefined_Atom_Stereo_Count	0
567118	Non-hydrogen_Atom_Count	7
13129031	Structure_Complexity	111
68790	Defined_Atom_Stereo_Count	0
3966	Total_Formal_Charge	0
11597936	Hydrogen_Bond_Acceptor_Count	7
3849989	Hydrogen_Bond_Acceptor_Count	2
8233	Molecular_Weight	733.9
1548994	Non-hydrogen_Atom_Count	35
117563748	Defined_Bond_Stereo_Count	0
35784	Defined_Bond_Stereo_Count	0
6722	Isotope_Atom_Count	0
8210	Non-hydrogen_Atom_Count	15
137968081	Exact_Mass	645.22909095
5353760	Molecular_Weight	268.39
5702628	Hydrogen_Bond_Acceptor_Count	2
5362689	Isotope_Atom_Count	0
25099	Molecular_Weight	301.4
101875160	Structure_Complexity	71.4
71562042	Hydrogen_Bond_Acceptor_Count	9
140560	XLogP3-AA	0.5
135749824	Defined_Atom_Stereo_Count	9
9848869	Total_Formal_Charge	0
52949760	Exact_Mass	369.18748367
10313382	Undefined_Atom_Stereo_Count	0
72725	Isotope_Atom_Count	0
452126	Hydrogen_Bond_Acceptor_Count	9
79571	Exact_Mass	141.078978594
446998	Molecular_Weight	291.33
18353888	Total_Formal_Charge	0
17381	Hydrogen_Bond_Donor_Count	0
15182658	Hydrogen_Bond_Acceptor_Count	2
86388	Molecular_Weight	335.4
198822	Exact_Mass	339.0577075
5288193	Undefined_Bond_Stereo_Count	0
22178808	XLogP3-AA	16
23555879	TPSA	21.6
13485108	Mono_Isotopic_Weight	112.088815002
9795291	Undefined_Bond_Stereo_Count	0
5205	Structure_Complexity	397
73920	Covalent_Unit_Count	1
44563067	TPSA	105
85658	Molecular_Weight	336.5
22348641	Total_Formal_Charge	0
152119	XLogP3-AA	0.6
3326	Undefined_Bond_Stereo_Count	0
524655	Total_Formal_Charge	0
641768	Defined_Bond_Stereo_Count	0
29249	Molecular_Weight	326.5
49243	Structure_Complexity	338
129317940	Hydrogen_Bond_Acceptor_Count	7
9895194	Molecular_Weight	613.8
20167	Covalent_Unit_Count	1
54126628	Defined_Atom_Stereo_Count	0
6476	Defined_Bond_Stereo_Count	0
5354076	Hydrogen_Bond_Acceptor_Count	2
5207587	Structure_Complexity	6.1
173604	Tautomer_Count	1
526362	Exact_Mass	325.87649
66615270	Undefined_Atom_Stereo_Count	0
5463911	TPSA	38.7
3082781	TPSA	46.3
14219	Hydrogen_Bond_Donor_Count	4
123134107	Undefined_Atom_Stereo_Count	3
46916401	Hydrogen_Bond_Acceptor_Count	11
4924	Exact_Mass	219.02319428
16685262	Exact_Mass	57.9999281
101815861	Exact_Mass	273.870525
449107	Defined_Atom_Stereo_Count	2
61100	Undefined_Bond_Stereo_Count	0
12664537	Hydrogen_Bond_Acceptor_Count	4
130845868	Structure_Complexity	96.7
134283942	Exact_Mass	111.068413911
20691	Hydrogen_Bond_Acceptor_Count	1
791998	Exact_Mass	322.168127949
59704100	Mono_Isotopic_Weight	116.083729621
22356182	XLogP3-AA	0.5
204	Isotope_Atom_Count	0
5284648	Exact_Mass	270.05282342
13483371	Defined_Atom_Stereo_Count	0
19828393	Mono_Isotopic_Weight	135.079647300
134688091	Exact_Mass	446.26683893
12719155	Hydrogen_Bond_Acceptor_Count	2
21948548	Covalent_Unit_Count	1
134008	Defined_Bond_Stereo_Count	0
21702818	Mono_Isotopic_Weight	109.052763847
91590	Exact_Mass	253.13611680
151014	Covalent_Unit_Count	1
54586637	Undefined_Bond_Stereo_Count	0
44155874	Hydrogen_Bond_Donor_Count	0
54173839	Non-hydrogen_Atom_Count	7
5484366	Undefined_Atom_Stereo_Count	0
66616	Defined_Bond_Stereo_Count	0
855556	Non-hydrogen_Atom_Count	20
6011	Covalent_Unit_Count	1
13012673	Hydrogen_Bond_Donor_Count	1
7117	Rotatable_Bond_Count	1
73211	Covalent_Unit_Count	1
38093	Hydrogen_Bond_Donor_Count	3
73665	TPSA	47.4
520362	Structure_Complexity	101
5458589	Covalent_Unit_Count	2
5364420	Molecular_Weight	326.5
39605	Non-hydrogen_Atom_Count	6
2122	Structure_Complexity	614
21830191	Covalent_Unit_Count	1
243313	Isotope_Atom_Count	0
37034	Hydrogen_Bond_Acceptor_Count	0
50914976	XLogP3-AA	1.4
9846588	Mono_Isotopic_Weight	450.23660143
5284580	Hydrogen_Bond_Donor_Count	7
49867936	TPSA	168
23432895	Defined_Bond_Stereo_Count	0
66903	Exact_Mass	366.349780706
82839	Structure_Complexity	18.3
2747993	Undefined_Bond_Stereo_Count	0
3000479	Total_Formal_Charge	0
9296	Undefined_Bond_Stereo_Count	0
132781234	TPSA	297
75466425	Exact_Mass	294.173213330
5667	Rotatable_Bond_Count	10
14765771	Undefined_Atom_Stereo_Count	0
3661	Hydrogen_Bond_Acceptor_Count	4
21817604	Non-hydrogen_Atom_Count	7
154257	Total_Formal_Charge	0
6420118	Defined_Bond_Stereo_Count	0
197344	Defined_Atom_Stereo_Count	0
5318386	Tautomer_Count	1
61453	Covalent_Unit_Count	1
18918215	Defined_Bond_Stereo_Count	0
131737226	Defined_Atom_Stereo_Count	0
82766	Total_Formal_Charge	0
22213349	Defined_Atom_Stereo_Count	0
80108693	Structure_Complexity	70.1
44324941	TPSA	69.2
4033	Exact_Mass	155.0268547
11167	Defined_Bond_Stereo_Count	0
7702	TPSA	9.2
91820194	Undefined_Bond_Stereo_Count	0
12695798	Non-hydrogen_Atom_Count	8
91696191	Non-hydrogen_Atom_Count	14
9048976	Molecular_Weight	336.5
5358751	Defined_Bond_Stereo_Count	5
5699	Total_Formal_Charge	0
44031	Hydrogen_Bond_Donor_Count	1
21659832	Molecular_Weight	117.10
177976	Molecular_Weight	375.4
60961	Tautomer_Count	3
522446	Covalent_Unit_Count	1
3276	Hydrogen_Bond_Acceptor_Count	5
5899068	Non-hydrogen_Atom_Count	20
571736	Hydrogen_Bond_Donor_Count	1
115011059	Hydrogen_Bond_Donor_Count	0
21703153	Undefined_Bond_Stereo_Count	0
96309	Non-hydrogen_Atom_Count	14
54676715	Defined_Bond_Stereo_Count	0
4740	Hydrogen_Bond_Acceptor_Count	4
126686768	Hydrogen_Bond_Acceptor_Count	2
81923	Non-hydrogen_Atom_Count	9
519449	Defined_Bond_Stereo_Count	0
54726191	Covalent_Unit_Count	1
107949	Total_Formal_Charge	0
8747	Undefined_Atom_Stereo_Count	0
57156265	Structure_Complexity	147
439501	Exact_Mass	584.28327683
5288706	Exact_Mass	485.27536898
22035327	Structure_Complexity	151
42268	Rotatable_Bond_Count	2
135738681	Total_Formal_Charge	0
24977371	Rotatable_Bond_Count	2
58054368	Rotatable_Bond_Count	9
96135	Total_Formal_Charge	0
411	Mono_Isotopic_Weight	353.13487601
5356	TPSA	114
87757577	Defined_Bond_Stereo_Count	0
90427261	Rotatable_Bond_Count	2
12386	Hydrogen_Bond_Acceptor_Count	2
151348	Defined_Atom_Stereo_Count	0
3082052	Defined_Atom_Stereo_Count	3
119058013	Tautomer_Count	6
3768578	Isotope_Atom_Count	0
17942383	TPSA	28.7
159832	Undefined_Atom_Stereo_Count	0
74267	Non-hydrogen_Atom_Count	28
16219464	Mono_Isotopic_Weight	527.23263824
76223135	Rotatable_Bond_Count	0
4224596	XLogP3	2.3
9530	Undefined_Bond_Stereo_Count	0
64645	Defined_Bond_Stereo_Count	0
3336	Exact_Mass	315.198699802
65737	XLogP3-AA	1.8
75714	Isotope_Atom_Count	0
6154	Exact_Mass	373.27809293
12285892	Non-hydrogen_Atom_Count	12
11503827	Rotatable_Bond_Count	5
17541	Undefined_Atom_Stereo_Count	0
37888437	TPSA	103
45086609	Molecular_Weight	142.16
15080	Covalent_Unit_Count	1
135410914	Covalent_Unit_Count	1
89518751	Mono_Isotopic_Weight	342.11621151
11475	Non-hydrogen_Atom_Count	9
3178	Isotope_Atom_Count	0
7794	Mono_Isotopic_Weight	154.135765193
65677	Undefined_Atom_Stereo_Count	0
3696	Tautomer_Count	9
163698895	Molecular_Weight	114.15
529274	Isotope_Atom_Count	0
614048	TPSA	92.3
19809513	Covalent_Unit_Count	1
44570851	Isotope_Atom_Count	0
7491	Undefined_Atom_Stereo_Count	0
356063	Mono_Isotopic_Weight	130.062994177
5282315	Covalent_Unit_Count	2
104806	Hydrogen_Bond_Acceptor_Count	4
21325329	Exact_Mass	115.099714038
14986	Tautomer_Count	9
73200935	Isotope_Atom_Count	0
9916195	Rotatable_Bond_Count	7
8289	Total_Formal_Charge	0
535111	Total_Formal_Charge	0
71206	Defined_Atom_Stereo_Count	7
93147	Undefined_Atom_Stereo_Count	0
70995	Undefined_Bond_Stereo_Count	0
109640	TPSA	12.9
134669	Exact_Mass	179.06161445
163325	Total_Formal_Charge	0
19092	Defined_Bond_Stereo_Count	0
14528850	Hydrogen_Bond_Donor_Count	1
21189113	Non-hydrogen_Atom_Count	7
147059143	Undefined_Atom_Stereo_Count	1
5353	Structure_Complexity	368
82728	Defined_Bond_Stereo_Count	0
10405144	Structure_Complexity	243
22648408	Defined_Bond_Stereo_Count	0
197998	Exact_Mass	359.1652068
2842	Undefined_Atom_Stereo_Count	5
24956	Total_Formal_Charge	0
119095779	Undefined_Atom_Stereo_Count	0
81325	Isotope_Atom_Count	0
24490	Tautomer_Count	1
129726370	Hydrogen_Bond_Acceptor_Count	2
22401764	XLogP3-AA	0.2
54460807	XLogP3-AA	1.3
54092188	Undefined_Atom_Stereo_Count	0
5289104	Non-hydrogen_Atom_Count	44
587322	Hydrogen_Bond_Acceptor_Count	4
33713	Total_Formal_Charge	0
26898	Undefined_Bond_Stereo_Count	0
2812423	Covalent_Unit_Count	1
22082536	XLogP3-AA	1.2
68023775	Hydrogen_Bond_Acceptor_Count	1
4353	Isotope_Atom_Count	0
65063	Mono_Isotopic_Weight	308.04095237
8181	Mono_Isotopic_Weight	270.255880323
443880	TPSA	89.9
59184	Isotope_Atom_Count	0
556380	XLogP3-AA	1
13806	Undefined_Bond_Stereo_Count	0
62572	Hydrogen_Bond_Donor_Count	1
24873277	XLogP3-AA	3
87524	TPSA	87
364849	Undefined_Bond_Stereo_Count	0
23039770	Mono_Isotopic_Weight	95.037113783
11593706	Mono_Isotopic_Weight	211.0611356
54307121	Defined_Atom_Stereo_Count	0
21499	Defined_Bond_Stereo_Count	0
11719407	Undefined_Atom_Stereo_Count	0
9161	Undefined_Atom_Stereo_Count	0
1470	TPSA	87
57493771	Non-hydrogen_Atom_Count	19
6918524	Molecular_Weight	269.73
85445	Molecular_Weight	214.64
20033044	Defined_Atom_Stereo_Count	0
60044069	Exact_Mass	284.16237386
9874838	Defined_Atom_Stereo_Count	0
79483	Hydrogen_Bond_Donor_Count	2
129866077	Hydrogen_Bond_Donor_Count	11
39941	Molecular_Weight	301.72
145815	Defined_Bond_Stereo_Count	0
41432	XLogP3	0.1
3081364	Structure_Complexity	242
122672078	Molecular_Weight	112.17
54687668	Undefined_Bond_Stereo_Count	0
104775	Defined_Bond_Stereo_Count	0
85856	XLogP3-AA	9.6
67505	Undefined_Bond_Stereo_Count	0
60196307	Exact_Mass	482.14871294
118098295	Hydrogen_Bond_Donor_Count	8
6240	Hydrogen_Bond_Acceptor_Count	3
4273	Undefined_Atom_Stereo_Count	0
59704271	TPSA	279
62583	Isotope_Atom_Count	0
9967941	Mono_Isotopic_Weight	343.17969569
28	Structure_Complexity	229
17040	Structure_Complexity	182
537142	Undefined_Atom_Stereo_Count	2
11858154	Undefined_Atom_Stereo_Count	0
160310226	TPSA	45.6
154013151	Molecular_Weight	116.11
80281	Undefined_Atom_Stereo_Count	0
44560619	Covalent_Unit_Count	1
448400	Undefined_Bond_Stereo_Count	0
28557	Defined_Bond_Stereo_Count	0
131709225	Tautomer_Count	11
13001614	Defined_Bond_Stereo_Count	0
12656145	XLogP3-AA	2
86640	Non-hydrogen_Atom_Count	13
662369	Covalent_Unit_Count	1
69808	Structure_Complexity	59.1
49865859	XLogP3-AA	3.5
14435951	XLogP3-AA	0.5
22099238	Hydrogen_Bond_Donor_Count	2
520190	Exact_Mass	290.260965704
90931176	Hydrogen_Bond_Acceptor_Count	0
61701	Hydrogen_Bond_Donor_Count	0
62883	Mono_Isotopic_Weight	419.13623594
9048976	Rotatable_Bond_Count	7
14145	TPSA	74.3
3345	Structure_Complexity	391
146159752	Undefined_Atom_Stereo_Count	5
3762	TPSA	72.7
8241	TPSA	62.3
59755734	TPSA	3.2
31281	Defined_Bond_Stereo_Count	0
5804	Molecular_Weight	635.96
138889	Rotatable_Bond_Count	3
63116	Non-hydrogen_Atom_Count	21
62322	Hydrogen_Bond_Donor_Count	0
46173365	XLogP3	0.3
71978	TPSA	277
59864	Hydrogen_Bond_Donor_Count	0
22138511	Covalent_Unit_Count	1
551249	Covalent_Unit_Count	1
12755	Exact_Mass	109.052763847
13728409	Molecular_Weight	620.7
5281071	XLogP3	1.5
8292	Rotatable_Bond_Count	7
66711	Molecular_Weight	238.31
63255	XLogP3	2.9
10148984	Non-hydrogen_Atom_Count	5
129696858	Hydrogen_Bond_Acceptor_Count	8
10707	Total_Formal_Charge	0
5282439	Total_Formal_Charge	0
18470	Structure_Complexity	274
9576912	Isotope_Atom_Count	0
492967	Defined_Bond_Stereo_Count	0
194519	Exact_Mass	304.02175079
16911	Covalent_Unit_Count	1
344200	Hydrogen_Bond_Donor_Count	3
10441658	Exact_Mass	105.078978594
135566069	Non-hydrogen_Atom_Count	108
23649154	Defined_Bond_Stereo_Count	0
555949	Total_Formal_Charge	0
83909	Molecular_Weight	360.3
11908489	Mono_Isotopic_Weight	342.11621151
6438863	Exact_Mass	1316.1505
9094	Molecular_Weight	158.26
2735172	Rotatable_Bond_Count	0
2782	Undefined_Atom_Stereo_Count	0
208924	Defined_Bond_Stereo_Count	0
12786810	Rotatable_Bond_Count	2
24776154	Defined_Atom_Stereo_Count	0
87495646	Total_Formal_Charge	0
119202	Structure_Complexity	725
46900403	Molecular_Weight	351.4
398495	Non-hydrogen_Atom_Count	22
9904	Molecular_Weight	274.4
12763	Isotope_Atom_Count	0
38904	Undefined_Atom_Stereo_Count	0
83970	Undefined_Atom_Stereo_Count	0
11251803	Isotope_Atom_Count	0
81093	XLogP3-AA	1.7
39834	TPSA	57.6
65	Molecular_Weight	179.00
69957602	Exact_Mass	113.084063974
14528850	Exact_Mass	112.088815002
19352068	Total_Formal_Charge	0
3097	Total_Formal_Charge	0
12441597	Exact_Mass	116.083729621
54598522	Isotope_Atom_Count	0
2963764	Covalent_Unit_Count	1
484651	Structure_Complexity	2070
2724025	Covalent_Unit_Count	1
66749731	Hydrogen_Bond_Donor_Count	2
57392872	Rotatable_Bond_Count	6
71167	Defined_Atom_Stereo_Count	0
905275	Defined_Atom_Stereo_Count	0
11332423	Defined_Atom_Stereo_Count	0
6918474	Structure_Complexity	201
9917	Undefined_Atom_Stereo_Count	0
6973628	Hydrogen_Bond_Donor_Count	0
11174599	Defined_Atom_Stereo_Count	9
3595299	Defined_Bond_Stereo_Count	0
94715	Rotatable_Bond_Count	1
5355836	Exact_Mass	192.04225873
37015	Total_Formal_Charge	0
6099917	Non-hydrogen_Atom_Count	12
69536	Molecular_Weight	395.07
11007859	Undefined_Atom_Stereo_Count	0
5329098	Undefined_Bond_Stereo_Count	0
36582	Hydrogen_Bond_Donor_Count	0
22000495	Molecular_Weight	101.10
10276115	Rotatable_Bond_Count	8
111804	Undefined_Bond_Stereo_Count	0
5326713	Hydrogen_Bond_Donor_Count	0
534094	Undefined_Bond_Stereo_Count	0
21353681	Isotope_Atom_Count	0
9517	Non-hydrogen_Atom_Count	14
21827	XLogP3-AA	1
16682935	Mono_Isotopic_Weight	352.997587
21947198	Molecular_Weight	195.15
61100	Undefined_Atom_Stereo_Count	0
72200672	Mono_Isotopic_Weight	491.02763
56963011	Mono_Isotopic_Weight	608.18345
154515561	Covalent_Unit_Count	1
60196267	Undefined_Bond_Stereo_Count	0
10298	Total_Formal_Charge	0
53667465	XLogP3-AA	2.3
57399426	TPSA	52.6
439210	Exact_Mass	211.953380
10498042	Rotatable_Bond_Count	5
146158627	Mono_Isotopic_Weight	1406.74927579
6916033	Structure_Complexity	457
66992840	Defined_Atom_Stereo_Count	0
78330	Total_Formal_Charge	0
45214	Exact_Mass	301.019183
9693	Rotatable_Bond_Count	4
66070288	Undefined_Bond_Stereo_Count	0
23983765	Rotatable_Bond_Count	4
89525526	Molecular_Weight	136.19
5460221	Undefined_Bond_Stereo_Count	0
10725321	Isotope_Atom_Count	0
3015569	Defined_Bond_Stereo_Count	0
134820103	Rotatable_Bond_Count	11
14946164	Defined_Bond_Stereo_Count	0
71311215	Non-hydrogen_Atom_Count	24
398741	Exact_Mass	237.08406
66000	TPSA	126
139254656	Covalent_Unit_Count	1
28936	Mono_Isotopic_Weight	425.94662
135413539	Defined_Bond_Stereo_Count	2
98181817	Covalent_Unit_Count	1
81358402	Structure_Complexity	96.6
62158	Exact_Mass	242.09027155
15461303	Structure_Complexity	682
16212939	Rotatable_Bond_Count	10
12576	Mono_Isotopic_Weight	166.03784206
6429029	Undefined_Atom_Stereo_Count	1
67106798	Undefined_Atom_Stereo_Count	0
5253	Defined_Bond_Stereo_Count	0
20064163	TPSA	46.2
26136	Total_Formal_Charge	0
10462961	Mono_Isotopic_Weight	783.40948040
791	Mono_Isotopic_Weight	131.094628657
22274936	Defined_Atom_Stereo_Count	0
405298	Covalent_Unit_Count	1
160230029	TPSA	48.2
92158	TPSA	17.1
657378	Hydrogen_Bond_Acceptor_Count	8
130770920	Defined_Atom_Stereo_Count	0
5371246	Total_Formal_Charge	0
91397067	Undefined_Atom_Stereo_Count	3
13314	Total_Formal_Charge	0
427842	XLogP3-AA	1.5
12562238	Rotatable_Bond_Count	2
22386086	Structure_Complexity	101
67434749	Undefined_Bond_Stereo_Count	0
5817	Hydrogen_Bond_Donor_Count	1
683563	Total_Formal_Charge	0
44144454	Covalent_Unit_Count	4
6453	Rotatable_Bond_Count	6
2734231	Non-hydrogen_Atom_Count	23
5283155	TPSA	57.5
68624	Rotatable_Bond_Count	3
12303	Molecular_Weight	102.14
5257090	Rotatable_Bond_Count	1
126	TPSA	37.3
65888	Covalent_Unit_Count	1
113	Exact_Mass	213.98785418
48362	Hydrogen_Bond_Acceptor_Count	1
6300	Undefined_Bond_Stereo_Count	0
19906389	Molecular_Weight	115.17
7004913	TPSA	26
10176113	Hydrogen_Bond_Donor_Count	0
122706529	Covalent_Unit_Count	1
246983	TPSA	20.2
140470	Defined_Atom_Stereo_Count	0
5284468	Undefined_Bond_Stereo_Count	0
6674	XLogP3-AA	2.6
22137869	Covalent_Unit_Count	1
92374	Structure_Complexity	189
22349965	Undefined_Atom_Stereo_Count	0
5283377	Exact_Mass	236.214015512
158536	Defined_Atom_Stereo_Count	0
91267	Isotope_Atom_Count	0
118984396	Defined_Atom_Stereo_Count	2
43704	Covalent_Unit_Count	1
60172	Structure_Complexity	327
57399651	Exact_Mass	320.0900848
3014827	Total_Formal_Charge	0
246219	TPSA	64.4
164164617	Hydrogen_Bond_Donor_Count	3
54584750	Rotatable_Bond_Count	15
44190035	Isotope_Atom_Count	0
76871762	Covalent_Unit_Count	2
45120480	Isotope_Atom_Count	0
9871212	Rotatable_Bond_Count	12
139244568	Hydrogen_Bond_Donor_Count	1
35455	Exact_Mass	320.152477885
57397970	Defined_Atom_Stereo_Count	1
7005019	Covalent_Unit_Count	1
23723057	Undefined_Bond_Stereo_Count	0
6371710	XLogP3-AA	1.7
6727	Mono_Isotopic_Weight	457.2051535
14626842	Molecular_Weight	420.5
22447183	XLogP3-AA	3.2
6273	Hydrogen_Bond_Donor_Count	0
140956	Non-hydrogen_Atom_Count	13
436	Exact_Mass	192.089877630
11955855	Non-hydrogen_Atom_Count	27
587128	Structure_Complexity	145
71719928	Molecular_Weight	525.6
6919025	Molecular_Weight	264.8
136183544	Covalent_Unit_Count	3
4707	Undefined_Bond_Stereo_Count	0
4538	Non-hydrogen_Atom_Count	11
135398678	Rotatable_Bond_Count	0
14537426	Non-hydrogen_Atom_Count	7
4278369	Defined_Atom_Stereo_Count	0
30065	Exact_Mass	261.172878976
65856	Defined_Atom_Stereo_Count	2
135985157	Defined_Bond_Stereo_Count	0
49436	Structure_Complexity	259
95809	XLogP3-AA	5.5
129860447	Molecular_Weight	87.12
6057875	Total_Formal_Charge	0
142882	Hydrogen_Bond_Donor_Count	1
77455	Molecular_Weight	323.4
55182	Structure_Complexity	443
98177686	Non-hydrogen_Atom_Count	20
11286230	Rotatable_Bond_Count	3
21715587	Mono_Isotopic_Weight	110.048012819
14086017	Defined_Atom_Stereo_Count	0
71743826	Covalent_Unit_Count	1
78759348	Non-hydrogen_Atom_Count	25
24621	Mono_Isotopic_Weight	161.885062
11093	Tautomer_Count	1
220	Structure_Complexity	234
44119664	Defined_Bond_Stereo_Count	0
6620134	Mono_Isotopic_Weight	445.20015635
68027	Isotope_Atom_Count	0
25058199	Hydrogen_Bond_Donor_Count	3
13627570	Total_Formal_Charge	0
541123	XLogP3	1.7
583941	Rotatable_Bond_Count	2
6387197	Hydrogen_Bond_Donor_Count	0
638552	Molecular_Weight	319.9
68903	TPSA	49.4
15766	Covalent_Unit_Count	1
131698851	Covalent_Unit_Count	1
44516953	Non-hydrogen_Atom_Count	45
11992	Undefined_Atom_Stereo_Count	0
135400456	Total_Formal_Charge	0
258618	Hydrogen_Bond_Acceptor_Count	1
13205764	Defined_Bond_Stereo_Count	0
135705228	Total_Formal_Charge	0
69089	Undefined_Atom_Stereo_Count	0
15914	Rotatable_Bond_Count	1
106824140	Hydrogen_Bond_Acceptor_Count	3
9457	Isotope_Atom_Count	0
709225	Exact_Mass	320.10956770
12933280	Undefined_Bond_Stereo_Count	0
7855	Rotatable_Bond_Count	0
45157716	Defined_Bond_Stereo_Count	0
129769827	TPSA	38.4
180559	Non-hydrogen_Atom_Count	19
22645860	Isotope_Atom_Count	0
124012131	TPSA	49.5
6951129	Defined_Bond_Stereo_Count	0
85776583	Mono_Isotopic_Weight	116.047344113
24635	Molecular_Weight	366.22
6440352	Tautomer_Count	228
11789162	Mono_Isotopic_Weight	112.088815002
4975	Defined_Bond_Stereo_Count	0
75258	Rotatable_Bond_Count	2
1283	Isotope_Atom_Count	0
5353985	Isotope_Atom_Count	0
102366731	Undefined_Bond_Stereo_Count	0
4456	TPSA	29.5
5288595	Hydrogen_Bond_Donor_Count	2
516892	Structure_Complexity	33.9
77749	Mono_Isotopic_Weight	113.047678466
6451	Covalent_Unit_Count	1
25007063	XLogP3-AA	4.2
95512	Undefined_Bond_Stereo_Count	0
11860544	Rotatable_Bond_Count	1
20294925	Isotope_Atom_Count	0
537037	Total_Formal_Charge	0
4158661	Hydrogen_Bond_Acceptor_Count	8
1141	Tautomer_Count	1
101417708	Undefined_Bond_Stereo_Count	0
14830385	Molecular_Weight	117.10
19892314	Defined_Atom_Stereo_Count	0
65092	Exact_Mass	90.01393598
14939066	Isotope_Atom_Count	0
14709	Hydrogen_Bond_Acceptor_Count	3
129668601	Rotatable_Bond_Count	3
9547096	Rotatable_Bond_Count	44
21513403	Defined_Bond_Stereo_Count	0
11634725	Defined_Atom_Stereo_Count	1
734999	Undefined_Bond_Stereo_Count	0
24027	Molecular_Weight	378.3
123597	Total_Formal_Charge	0
6945	Hydrogen_Bond_Donor_Count	0
54727975	TPSA	82.4
237873	Defined_Atom_Stereo_Count	0
10436952	Undefined_Atom_Stereo_Count	1
78422631	Hydrogen_Bond_Acceptor_Count	2
93012	Hydrogen_Bond_Donor_Count	1
77990	Molecular_Weight	400.4
14288779	Defined_Bond_Stereo_Count	0
76280	XLogP3	2.1
11099	Exact_Mass	167.094628657
4583	Covalent_Unit_Count	1
58655	Rotatable_Bond_Count	3
146156670	Hydrogen_Bond_Acceptor_Count	8
118210659	Hydrogen_Bond_Acceptor_Count	4
701621	Hydrogen_Bond_Donor_Count	1
7587	Defined_Bond_Stereo_Count	0
5772	Non-hydrogen_Atom_Count	73
13765	Total_Formal_Charge	0
16754849	Defined_Atom_Stereo_Count	2
60192	Hydrogen_Bond_Acceptor_Count	4
17563	Covalent_Unit_Count	1
4453511	Structure_Complexity	417
537142	TPSA	12.5
96359	XLogP3-AA	3.1
158038961	Hydrogen_Bond_Acceptor_Count	1
698931	Undefined_Atom_Stereo_Count	0
17520	Non-hydrogen_Atom_Count	10
72332520	Hydrogen_Bond_Donor_Count	0
78131	Undefined_Bond_Stereo_Count	0
8015	Molecular_Weight	68.08
155774	Total_Formal_Charge	0
6067	Tautomer_Count	1
54680692	Rotatable_Bond_Count	3
32209	Structure_Complexity	392
20491	XLogP3	0.5
6657	Non-hydrogen_Atom_Count	7
83979	Mono_Isotopic_Weight	543.17406074
55416	XLogP3-AA	3.2
81762	Rotatable_Bond_Count	3
16551	Exact_Mass	154.0316058
9812772	Hydrogen_Bond_Donor_Count	2
59968312	Rotatable_Bond_Count	0
45357148	Structure_Complexity	3220
103079114	Total_Formal_Charge	0
57399440	Total_Formal_Charge	0
295864	Total_Formal_Charge	0
11992	Defined_Atom_Stereo_Count	0
90476206	Hydrogen_Bond_Acceptor_Count	9
170813	Rotatable_Bond_Count	6
78959	Defined_Atom_Stereo_Count	0
53373584	Mono_Isotopic_Weight	837.49281610
10909490	Undefined_Atom_Stereo_Count	0
19354670	Mono_Isotopic_Weight	86.084398327
85694	Molecular_Weight	398.6
917	Hydrogen_Bond_Donor_Count	3
448400	Undefined_Atom_Stereo_Count	0
123217920	Defined_Bond_Stereo_Count	0
9948	Mono_Isotopic_Weight	196.088815002
57401684	TPSA	102
12951370	Tautomer_Count	1
12899069	Total_Formal_Charge	0
91027156	Non-hydrogen_Atom_Count	8
83346	Hydrogen_Bond_Acceptor_Count	2
9929785	Molecular_Weight	380.5
946372	Undefined_Atom_Stereo_Count	0
4811	Undefined_Atom_Stereo_Count	2
70297	Molecular_Weight	172.56
5794	Defined_Atom_Stereo_Count	0
12847949	Hydrogen_Bond_Donor_Count	1
68363	Defined_Atom_Stereo_Count	0
12768403	Undefined_Bond_Stereo_Count	0
23221	Non-hydrogen_Atom_Count	16
9526	Hydrogen_Bond_Acceptor_Count	6
21684469	Isotope_Atom_Count	0
45266908	Hydrogen_Bond_Acceptor_Count	19
10660	Exact_Mass	469.1880675
11297955	Undefined_Atom_Stereo_Count	1
90488948	Undefined_Atom_Stereo_Count	0
2415	Total_Formal_Charge	0
11565	Rotatable_Bond_Count	0
16726873	Molecular_Weight	517.0
6440728	TPSA	50.9
6564	Hydrogen_Bond_Donor_Count	0
30720	Undefined_Atom_Stereo_Count	0
196604	Defined_Bond_Stereo_Count	0
63958	Structure_Complexity	567
5748551	Hydrogen_Bond_Donor_Count	2
94960	Hydrogen_Bond_Acceptor_Count	3
299882	Hydrogen_Bond_Acceptor_Count	0
55	Exact_Mass	654.53758147
156594090	Total_Formal_Charge	0
130872	TPSA	165
9500	Defined_Bond_Stereo_Count	0
45381802	Undefined_Atom_Stereo_Count	0
87793884	Undefined_Bond_Stereo_Count	0
10326800	Exact_Mass	640.36247064
134694678	Isotope_Atom_Count	0
3034368	TPSA	181
657381	Non-hydrogen_Atom_Count	26
93131	Defined_Atom_Stereo_Count	0
72899	Total_Formal_Charge	0
90843502	Non-hydrogen_Atom_Count	8
5421897	Rotatable_Bond_Count	3
115157	Defined_Bond_Stereo_Count	0
15510	Defined_Atom_Stereo_Count	0
5360487	Exact_Mass	420.09575085
154209129	Defined_Atom_Stereo_Count	0
154104	Defined_Atom_Stereo_Count	1
10243599	Hydrogen_Bond_Acceptor_Count	4
135398640	Rotatable_Bond_Count	4
88093948	Exact_Mass	416.32904526
6279	Total_Formal_Charge	0
14989493	Undefined_Atom_Stereo_Count	0
12675	Undefined_Bond_Stereo_Count	0
71756167	Defined_Atom_Stereo_Count	0
4646	Non-hydrogen_Atom_Count	17
344888	Hydrogen_Bond_Acceptor_Count	2
22015566	Mono_Isotopic_Weight	303.100776666
52291	Tautomer_Count	1
69508	Structure_Complexity	304
9930121	Defined_Bond_Stereo_Count	0
15945857	Undefined_Bond_Stereo_Count	0
12313170	Isotope_Atom_Count	0
28951015	Undefined_Bond_Stereo_Count	0
147569	Covalent_Unit_Count	1
6519	Mono_Isotopic_Weight	719.710750
60196394	Isotope_Atom_Count	0
32503	Defined_Atom_Stereo_Count	0
118984404	Hydrogen_Bond_Acceptor_Count	6
23866	Hydrogen_Bond_Acceptor_Count	0
444899	Exact_Mass	304.240230259
16115	XLogP3	3.5
23727981	Molecular_Weight	241.25
201136	Defined_Bond_Stereo_Count	0
4125253	Rotatable_Bond_Count	11
78412	Tautomer_Count	1
11408688	Covalent_Unit_Count	2
9576912	Rotatable_Bond_Count	5
84647611	Hydrogen_Bond_Donor_Count	1
80873	Molecular_Weight	360.6
42574	Tautomer_Count	79
71451930	TPSA	99.2
70695343	XLogP3-AA	3.9
738033	Undefined_Atom_Stereo_Count	0
36235	Hydrogen_Bond_Donor_Count	1
22379495	Undefined_Atom_Stereo_Count	0
9416	Total_Formal_Charge	0
21419483	Hydrogen_Bond_Acceptor_Count	3
72074	Molecular_Weight	296.33
154101	TPSA	38.3
548545	Isotope_Atom_Count	0
22947120	Structure_Complexity	126
10286834	Non-hydrogen_Atom_Count	25
9778	TPSA	0
6501	Undefined_Atom_Stereo_Count	2
216208	Mono_Isotopic_Weight	505.26890461
25209	Exact_Mass	196.219100893
240534	Hydrogen_Bond_Acceptor_Count	2
5282546	Molecular_Weight	493.5
84151	Total_Formal_Charge	0
61523	Mono_Isotopic_Weight	164.120115130
90978	Hydrogen_Bond_Donor_Count	0
23690449	Structure_Complexity	334
668508	Defined_Bond_Stereo_Count	0
138950	Hydrogen_Bond_Donor_Count	0
79303108	Undefined_Atom_Stereo_Count	0
71795	Undefined_Bond_Stereo_Count	0
111804	Undefined_Atom_Stereo_Count	0
20678	Rotatable_Bond_Count	1
19366304	Defined_Atom_Stereo_Count	0
11405	XLogP3	1.9
121329665	TPSA	190
13248582	Hydrogen_Bond_Donor_Count	0
70374	Non-hydrogen_Atom_Count	16
6420013	Mono_Isotopic_Weight	343.1550360
91618345	Non-hydrogen_Atom_Count	8
86278404	Mono_Isotopic_Weight	180.06338810
19527	Total_Formal_Charge	0
5792	Undefined_Bond_Stereo_Count	0
31265	Defined_Bond_Stereo_Count	0
11702	Hydrogen_Bond_Donor_Count	1
129791	Defined_Atom_Stereo_Count	0
96132	TPSA	67.5
97665	Hydrogen_Bond_Donor_Count	2
7244	Isotope_Atom_Count	0
22238266	Undefined_Atom_Stereo_Count	0
132939819	Mono_Isotopic_Weight	181.06674293
11040661	Exact_Mass	114.068079557
135398604	Hydrogen_Bond_Acceptor_Count	10
6971	Hydrogen_Bond_Donor_Count	2
46848036	TPSA	99.2
11007917	Exact_Mass	128.083729621
21311941	Defined_Bond_Stereo_Count	0
18617	Rotatable_Bond_Count	0
11960468	Defined_Bond_Stereo_Count	0
725692	Total_Formal_Charge	0
165363475	Defined_Atom_Stereo_Count	8
21116680	Tautomer_Count	2
5523	Exact_Mass	263.188529040
542152	Rotatable_Bond_Count	2
65506	Mono_Isotopic_Weight	536.30172086
4543	Tautomer_Count	1
12492	Isotope_Atom_Count	0
71406	Isotope_Atom_Count	0
5959	Undefined_Bond_Stereo_Count	0
154701779	Molecular_Weight	365.4
76960246	Defined_Atom_Stereo_Count	9
143713444	Hydrogen_Bond_Acceptor_Count	1
61120	Mono_Isotopic_Weight	263.15214353
558092	Structure_Complexity	75.6
2456	Molecular_Weight	247.31
5352837	Rotatable_Bond_Count	5
2375	Defined_Atom_Stereo_Count	0
13353092	Defined_Atom_Stereo_Count	0
118210659	Rotatable_Bond_Count	0
23667630	Non-hydrogen_Atom_Count	30
9133	Mono_Isotopic_Weight	203.073499291
118855445	Mono_Isotopic_Weight	712.27966526
306917	Total_Formal_Charge	0
97127	Hydrogen_Bond_Donor_Count	0
123298319	Non-hydrogen_Atom_Count	7
55802	Structure_Complexity	164
48558	Isotope_Atom_Count	0
75821	Isotope_Atom_Count	0
67940	Undefined_Bond_Stereo_Count	0
3000391	TPSA	196
23279315	Structure_Complexity	78.9
1012	Hydrogen_Bond_Donor_Count	10
92786	Defined_Bond_Stereo_Count	0
72402	Molecular_Weight	363.4
8499	Non-hydrogen_Atom_Count	12
105130	Rotatable_Bond_Count	0
135697	Mono_Isotopic_Weight	112.016043985
16008685	Molecular_Weight	353.4
22149470	Molecular_Weight	100.16
3957	Defined_Atom_Stereo_Count	0
20949	Isotope_Atom_Count	0
31224	Undefined_Bond_Stereo_Count	2
38988322	Total_Formal_Charge	0
4121	TPSA	126
6300	Undefined_Atom_Stereo_Count	0
519642	Covalent_Unit_Count	1
6597	Hydrogen_Bond_Donor_Count	1
1899	Undefined_Bond_Stereo_Count	0
44599207	Isotope_Atom_Count	0
91667591	Mono_Isotopic_Weight	977.2875094
94330	Covalent_Unit_Count	1
522621	Hydrogen_Bond_Acceptor_Count	0
20588866	Undefined_Atom_Stereo_Count	0
23647685	TPSA	186
81512	Rotatable_Bond_Count	0
223866	Hydrogen_Bond_Donor_Count	3
31203	Exact_Mass	360.363025472
89143843	Covalent_Unit_Count	1
5364643	Hydrogen_Bond_Acceptor_Count	1
17166	Undefined_Atom_Stereo_Count	0
57401195	Non-hydrogen_Atom_Count	30
16414	Defined_Atom_Stereo_Count	0
66561	Hydrogen_Bond_Donor_Count	1
16213460	Defined_Atom_Stereo_Count	0
3331	Undefined_Bond_Stereo_Count	0
21537113	TPSA	74.6
19606581	Mono_Isotopic_Weight	208.07355886
4011	Covalent_Unit_Count	1
135476784	Rotatable_Bond_Count	2
49937	XLogP3-AA	1.4
2734664	Molecular_Weight	140.25
119058	Defined_Bond_Stereo_Count	0
27902	Non-hydrogen_Atom_Count	23
57993933	Undefined_Bond_Stereo_Count	0
72466	Mono_Isotopic_Weight	1511.4785360
23064418	Defined_Atom_Stereo_Count	0
6917793	TPSA	176
9524	Structure_Complexity	46.5
24776140	Rotatable_Bond_Count	2
5283741	Molecular_Weight	416.6
30923	Structure_Complexity	216
86592	TPSA	17.1
4570	Non-hydrogen_Atom_Count	24
13610389	TPSA	30.7
67248938	XLogP3-AA	3
3132	Hydrogen_Bond_Acceptor_Count	4
77781	Structure_Complexity	152
170832	Mono_Isotopic_Weight	259.157228913
448258	Hydrogen_Bond_Donor_Count	1
5743396	Defined_Bond_Stereo_Count	0
81421	Structure_Complexity	318
101218360	Defined_Atom_Stereo_Count	0
915	Total_Formal_Charge	0
181674	Rotatable_Bond_Count	1
697993	TPSA	69.4
1629	Defined_Bond_Stereo_Count	0
2529	Total_Formal_Charge	0
75828	TPSA	17.1
72165188	Defined_Bond_Stereo_Count	0
91760	Rotatable_Bond_Count	3
10780	Structure_Complexity	211
5281037	Isotope_Atom_Count	0
54520	Covalent_Unit_Count	1
6169	Undefined_Atom_Stereo_Count	0
258030	XLogP3-AA	2
10796238	Exact_Mass	1095.46702979
12248932	Isotope_Atom_Count	0
700865	Isotope_Atom_Count	0
45257	Molecular_Weight	291.4
153939682	Defined_Bond_Stereo_Count	0
8418	XLogP3	4.4
31070	Tautomer_Count	2
9954410	Isotope_Atom_Count	0
9883149	Molecular_Weight	310.30
274730	Hydrogen_Bond_Acceptor_Count	7
224242	Non-hydrogen_Atom_Count	7
111290	Isotope_Atom_Count	0
441384	Defined_Bond_Stereo_Count	0
15945857	Defined_Atom_Stereo_Count	0
402827	Defined_Bond_Stereo_Count	0
71463896	Undefined_Bond_Stereo_Count	0
137530132	Undefined_Bond_Stereo_Count	0
16115747	Undefined_Atom_Stereo_Count	0
76324338	Non-hydrogen_Atom_Count	59
91482	Defined_Bond_Stereo_Count	0
10457598	Non-hydrogen_Atom_Count	32
23704140	Structure_Complexity	880
4974205	Covalent_Unit_Count	1
135920954	Total_Formal_Charge	0
28031	Defined_Bond_Stereo_Count	0
11825335	Mono_Isotopic_Weight	391.1350495
9887304	Covalent_Unit_Count	1
83884	Hydrogen_Bond_Acceptor_Count	9
5289547	Defined_Atom_Stereo_Count	6
86614862	Molecular_Weight	358.2
13838145	Mono_Isotopic_Weight	92.062600255
32065	Total_Formal_Charge	0
10080379	Defined_Atom_Stereo_Count	0
9939627	Rotatable_Bond_Count	21
3116	Undefined_Atom_Stereo_Count	0
3014017	TPSA	37.3
54572303	Rotatable_Bond_Count	2
87063833	Molecular_Weight	178.76
176265	Mono_Isotopic_Weight	263.17077098
67518639	Defined_Atom_Stereo_Count	3
88867195	Exact_Mass	113.120449483
82259	Isotope_Atom_Count	0
135489810	Non-hydrogen_Atom_Count	8
12697524	Molecular_Weight	370.4
23665763	Defined_Atom_Stereo_Count	0
529331	Structure_Complexity	72.9
15446403	Hydrogen_Bond_Donor_Count	0
46206643	Rotatable_Bond_Count	3
20112	Undefined_Atom_Stereo_Count	1
6992028	Hydrogen_Bond_Donor_Count	1
11423559	Structure_Complexity	131
601880	TPSA	63.6
11432	Structure_Complexity	38.8
85254	Hydrogen_Bond_Donor_Count	1
12248	Covalent_Unit_Count	1
92897	Molecular_Weight	414.4
6445786	Isotope_Atom_Count	0
22882	Non-hydrogen_Atom_Count	21
5460221	XLogP3-AA	7.9
53313171	Undefined_Bond_Stereo_Count	0
17533	Non-hydrogen_Atom_Count	17
136069	Exact_Mass	130.053098200
33443	Non-hydrogen_Atom_Count	16
66697936	Rotatable_Bond_Count	0
6435335	Non-hydrogen_Atom_Count	30
53325875	Covalent_Unit_Count	1
838	Total_Formal_Charge	0
9868219	Rotatable_Bond_Count	12
135399895	Non-hydrogen_Atom_Count	8
99477	Tautomer_Count	3
57537	Isotope_Atom_Count	0
13177208	Total_Formal_Charge	0
2907	Hydrogen_Bond_Donor_Count	1
102366731	Undefined_Atom_Stereo_Count	0
500	Hydrogen_Bond_Donor_Count	3
23263	Tautomer_Count	1
11258980	TPSA	92.3
57773	Rotatable_Bond_Count	5
6450003	Total_Formal_Charge	0
10932	Molecular_Weight	103.12
141130780	Defined_Bond_Stereo_Count	0
16733482	Hydrogen_Bond_Donor_Count	4
9962735	Total_Formal_Charge	0
1069125	Hydrogen_Bond_Acceptor_Count	2
12204059	Undefined_Atom_Stereo_Count	4
70262	XLogP3-AA	1.3
701038	Non-hydrogen_Atom_Count	19
28563239	Rotatable_Bond_Count	3
8185	Molecular_Weight	170.29
6440554	Defined_Atom_Stereo_Count	3
2737121	Undefined_Bond_Stereo_Count	0
7210	Molecular_Weight	282.34
425051	Rotatable_Bond_Count	0
10261065	Rotatable_Bond_Count	0
133562634	Isotope_Atom_Count	0
266934	Total_Formal_Charge	0
71895	Hydrogen_Bond_Acceptor_Count	3
19867655	Defined_Atom_Stereo_Count	0
17455	Exact_Mass	394.19556569
1664	Defined_Atom_Stereo_Count	0
53420035	Undefined_Atom_Stereo_Count	2
547064	Hydrogen_Bond_Donor_Count	0
4201	Undefined_Atom_Stereo_Count	0
12513422	Mono_Isotopic_Weight	96.057514874
26361	Structure_Complexity	297
4707	Defined_Atom_Stereo_Count	0
51402807	XLogP3-AA	0.4
571736	Non-hydrogen_Atom_Count	8
76973769	Defined_Atom_Stereo_Count	6
148139	Isotope_Atom_Count	0
9954082	Undefined_Atom_Stereo_Count	0
763	Covalent_Unit_Count	1
26030	Isotope_Atom_Count	0
534258	TPSA	20.2
58460047	Structure_Complexity	860
23714647	Rotatable_Bond_Count	2
694678	Non-hydrogen_Atom_Count	22
44183	XLogP3-AA	3.4
715567	Exact_Mass	285.12996879
71432915	Total_Formal_Charge	0
4419	Molecular_Weight	357.4
5311360	Tautomer_Count	1
70355	Undefined_Atom_Stereo_Count	0
87090701	Covalent_Unit_Count	1
44455234	Hydrogen_Bond_Donor_Count	4
520277	Undefined_Atom_Stereo_Count	0
78225435	Rotatable_Bond_Count	5
78006	TPSA	0
14222	Defined_Atom_Stereo_Count	0
3968000	Non-hydrogen_Atom_Count	28
18509075	Undefined_Bond_Stereo_Count	0
107758	Hydrogen_Bond_Acceptor_Count	18
135565610	Mono_Isotopic_Weight	458.15901982
128919	Mono_Isotopic_Weight	381.17043419
6506250	Undefined_Atom_Stereo_Count	1
13113267	Molecular_Weight	112.17
10240769	Rotatable_Bond_Count	3
75675	Defined_Bond_Stereo_Count	0
447634	Isotope_Atom_Count	0
101080369	Undefined_Bond_Stereo_Count	0
56675795	Hydrogen_Bond_Acceptor_Count	7
142809	Defined_Atom_Stereo_Count	0
137430	Defined_Bond_Stereo_Count	0
80	Mono_Isotopic_Weight	172.03717335
10130120	Non-hydrogen_Atom_Count	10
95285	Tautomer_Count	4
13003788	Molecular_Weight	110.15
94213	Non-hydrogen_Atom_Count	12
68783	Covalent_Unit_Count	1
51041	Undefined_Bond_Stereo_Count	0
20226563	Defined_Atom_Stereo_Count	0
21180574	Exact_Mass	108.043596145
16719	Total_Formal_Charge	0
7881	Mono_Isotopic_Weight	210.10209608
18955278	Hydrogen_Bond_Donor_Count	0
56670170	Hydrogen_Bond_Acceptor_Count	7
135564655	Undefined_Atom_Stereo_Count	0
58645437	Covalent_Unit_Count	1
1894	Defined_Atom_Stereo_Count	0
1548955	Defined_Bond_Stereo_Count	1
99416	Exact_Mass	265.14264148
82458	XLogP3-AA	5.9
155971023	Undefined_Bond_Stereo_Count	0
786892	TPSA	67.8
62258	Isotope_Atom_Count	0
108018	Defined_Bond_Stereo_Count	0
54111	Molecular_Weight	290.12
44230575	Undefined_Bond_Stereo_Count	0
163934	Molecular_Weight	170.25
9887812	Total_Formal_Charge	0
54684286	Exact_Mass	243.07428713
5311064	Hydrogen_Bond_Acceptor_Count	5
56953649	Structure_Complexity	490
253186	Undefined_Atom_Stereo_Count	0
242605	Total_Formal_Charge	0
70700216	Rotatable_Bond_Count	2
73945	Undefined_Bond_Stereo_Count	0
53765090	Total_Formal_Charge	0
520383	Undefined_Atom_Stereo_Count	1
130471	XLogP3-AA	1.1
11829372	Covalent_Unit_Count	1
162268759	Non-hydrogen_Atom_Count	6
45085047	Structure_Complexity	139
139986	Non-hydrogen_Atom_Count	7
23695767	Molecular_Weight	372.3
156144	Mono_Isotopic_Weight	340.0269143
10198719	Molecular_Weight	243.33
6941	Tautomer_Count	1
6918580	Isotope_Atom_Count	0
16957	TPSA	0
969472	Defined_Atom_Stereo_Count	1
135392883	Covalent_Unit_Count	1
31218	Structure_Complexity	370
123628	Undefined_Atom_Stereo_Count	0
34927	Undefined_Bond_Stereo_Count	0
457126	XLogP3-AA	0.9
5460495	Mono_Isotopic_Weight	115.063328530
129711656	Non-hydrogen_Atom_Count	14
10987215	Molecular_Weight	198.05
12507	Covalent_Unit_Count	1
4714	Defined_Atom_Stereo_Count	0
10282517	Exact_Mass	615.18616351
133108869	Structure_Complexity	133
3465817	Rotatable_Bond_Count	3
12580406	Total_Formal_Charge	0
2817	Mono_Isotopic_Weight	179.0137915
54372438	Hydrogen_Bond_Donor_Count	0
8799	Undefined_Bond_Stereo_Count	0
98889	Defined_Bond_Stereo_Count	0
57082085	Isotope_Atom_Count	0
65565	Total_Formal_Charge	0
10379	Mono_Isotopic_Weight	199.063328530
47289	Tautomer_Count	2
9834478	Hydrogen_Bond_Donor_Count	3
88948	Defined_Atom_Stereo_Count	0
217409	XLogP3	2.3
16049024	Total_Formal_Charge	0
2244	Molecular_Weight	180.16
94398	Isotope_Atom_Count	0
70694813	Isotope_Atom_Count	0
71644	Non-hydrogen_Atom_Count	19
134980383	Isotope_Atom_Count	0
76223467	XLogP3-AA	0.2
23649245	Undefined_Atom_Stereo_Count	0
23665760	Exact_Mass	73.9535366
11285653	XLogP3-AA	3.6
28951015	Undefined_Atom_Stereo_Count	0
9890250	Mono_Isotopic_Weight	455.1623268
16683028	Hydrogen_Bond_Acceptor_Count	7
48103	Tautomer_Count	1
25203894	Undefined_Atom_Stereo_Count	0
101992406	XLogP3-AA	1.2
11670	Mono_Isotopic_Weight	102.104465066
19082030	Defined_Atom_Stereo_Count	0
59296041	XLogP3-AA	1.6
447378	Rotatable_Bond_Count	6
10027822	Molecular_Weight	473.5
16132416	Total_Formal_Charge	0
60196361	TPSA	16.1
6140	Isotope_Atom_Count	0
145721938	Structure_Complexity	596
16836	Rotatable_Bond_Count	4
74825	Mono_Isotopic_Weight	243.901449
110	Exact_Mass	151.97794440
42626680	Exact_Mass	180.06338810
77676	Rotatable_Bond_Count	3
146157955	TPSA	241
71624344	Defined_Atom_Stereo_Count	0
1494	Defined_Bond_Stereo_Count	0
13885286	Covalent_Unit_Count	1
20221840	TPSA	67.8
68401	Total_Formal_Charge	0
2363	Hydrogen_Bond_Donor_Count	1
82418959	Hydrogen_Bond_Acceptor_Count	3
450503	Tautomer_Count	1
13795010	Covalent_Unit_Count	1
4228493	XLogP3-AA	1.8
68616	Defined_Bond_Stereo_Count	0
39912	TPSA	37.3
701741	Undefined_Atom_Stereo_Count	0
4874	Total_Formal_Charge	0
17891	Structure_Complexity	225
20220682	Exact_Mass	116.083729621
20782688	Undefined_Bond_Stereo_Count	0
184830	Hydrogen_Bond_Acceptor_Count	2
21983433	Hydrogen_Bond_Acceptor_Count	3
55918	Structure_Complexity	347
131721456	Structure_Complexity	386
184644	Defined_Atom_Stereo_Count	12
74651	Mono_Isotopic_Weight	166.062994177
101621557	Total_Formal_Charge	0
76415	Total_Formal_Charge	0
31621	Non-hydrogen_Atom_Count	22
77999	Structure_Complexity	469
18601660	Defined_Atom_Stereo_Count	5
11612445	Covalent_Unit_Count	1
145515817	Undefined_Bond_Stereo_Count	0
57545	Rotatable_Bond_Count	7
908	Defined_Bond_Stereo_Count	0
18736933	Molecular_Weight	129.16
145819	Tautomer_Count	1
349711	Rotatable_Bond_Count	1
135538	TPSA	58.3
522693	Defined_Bond_Stereo_Count	0
3898924	Mono_Isotopic_Weight	102.068079557
16683028	Isotope_Atom_Count	0
3011721	Undefined_Bond_Stereo_Count	0
17910644	Non-hydrogen_Atom_Count	8
85904461	Undefined_Atom_Stereo_Count	4
49871818	Structure_Complexity	706
20062234	Rotatable_Bond_Count	0
7955	Undefined_Atom_Stereo_Count	0
21590560	Covalent_Unit_Count	1
92210	Molecular_Weight	116.16
5373493	XLogP3	0.3
137185902	Defined_Bond_Stereo_Count	7
57392965	Structure_Complexity	877
14171936	Defined_Atom_Stereo_Count	0
137261994	Undefined_Atom_Stereo_Count	0
30295	Mono_Isotopic_Weight	265.204179104
12310	Hydrogen_Bond_Acceptor_Count	0
23080901	XLogP3-AA	0.1
46942544	Mono_Isotopic_Weight	332.11071051
88314154	XLogP3-AA	0.4
439468	Exact_Mass	579.89504254
16036825	Total_Formal_Charge	0
16375	Covalent_Unit_Count	1
18273	Rotatable_Bond_Count	1
63134	TPSA	32.7
23355	Tautomer_Count	10
11584	Mono_Isotopic_Weight	100.052429494
135414248	Defined_Atom_Stereo_Count	0
133478	Total_Formal_Charge	0
44669160	TPSA	91.8
643447	Covalent_Unit_Count	1
126843213	Hydrogen_Bond_Acceptor_Count	91
644007	Structure_Complexity	405
968	Undefined_Bond_Stereo_Count	0
413552	Total_Formal_Charge	0
76958	Hydrogen_Bond_Donor_Count	1
60904070	XLogP3-AA	1.2
141738	Rotatable_Bond_Count	2
54676715	Rotatable_Bond_Count	9
17613	Exact_Mass	150.0811428
57458911	Structure_Complexity	364
12220	XLogP3	2.3
135920954	Hydrogen_Bond_Acceptor_Count	7
78836	Defined_Atom_Stereo_Count	0
101744	Total_Formal_Charge	0
163591174	Non-hydrogen_Atom_Count	7
92043424	Structure_Complexity	3290
15627	Defined_Atom_Stereo_Count	0
261555	Structure_Complexity	711
7672	Undefined_Bond_Stereo_Count	0
86790	Hydrogen_Bond_Donor_Count	0
53861228	Structure_Complexity	61.2
12302693	Mono_Isotopic_Weight	342.11621151
5318039	Rotatable_Bond_Count	10
73376	Molecular_Weight	207.3
548989	Defined_Bond_Stereo_Count	0
11986122	Molecular_Weight	230.04
21103	Structure_Complexity	235
20147457	Molecular_Weight	84.12
37563	Isotope_Atom_Count	0
3331	Undefined_Atom_Stereo_Count	0
35775	Molecular_Weight	286.30
125286695	Undefined_Bond_Stereo_Count	0
83904778	Total_Formal_Charge	0
3779	Mono_Isotopic_Weight	211.12084340
133520	Rotatable_Bond_Count	1
13065	Undefined_Bond_Stereo_Count	0
131634423	Covalent_Unit_Count	3
444041	Defined_Bond_Stereo_Count	0
17856440	Exact_Mass	103.099714038
16584	Structure_Complexity	129
518944	Undefined_Atom_Stereo_Count	0
137018	Total_Formal_Charge	0
650201	Molecular_Weight	395.5
95941	Hydrogen_Bond_Donor_Count	1
423375	Mono_Isotopic_Weight	171.08301860
11274968	Total_Formal_Charge	0
76451	Rotatable_Bond_Count	6
11846570	Rotatable_Bond_Count	12
10384666	Hydrogen_Bond_Donor_Count	2
100959353	TPSA	104
18545678	Non-hydrogen_Atom_Count	7
50491	Undefined_Atom_Stereo_Count	2
21285	Hydrogen_Bond_Donor_Count	1
316177	Mono_Isotopic_Weight	200.083729621
139588352	Exact_Mass	1314.32434128
37686	Non-hydrogen_Atom_Count	23
20685	Exact_Mass	346.18273264
9026	Exact_Mass	354.31339520
78759283	Isotope_Atom_Count	0
18608283	Total_Formal_Charge	0
154689	Hydrogen_Bond_Acceptor_Count	4
6912404	Undefined_Atom_Stereo_Count	0
21321822	Total_Formal_Charge	0
16005120	Isotope_Atom_Count	0
71563	Defined_Bond_Stereo_Count	0
13155261	Structure_Complexity	80.2
12744	TPSA	0
20072023	Exact_Mass	116.047344113
5325574	Covalent_Unit_Count	1
450598	Defined_Atom_Stereo_Count	0
57406911	Structure_Complexity	847
734215	Hydrogen_Bond_Donor_Count	1
171409	Hydrogen_Bond_Acceptor_Count	12
7567277	Non-hydrogen_Atom_Count	11
3045406	Molecular_Weight	317.9
22024814	Molecular_Weight	98.14
12314962	Undefined_Atom_Stereo_Count	9
99580	XLogP3-AA	3.1
24461	Hydrogen_Bond_Donor_Count	0
104926	Hydrogen_Bond_Acceptor_Count	5
13244862	Total_Formal_Charge	0
3480590	Exact_Mass	252.06338810
68028	Hydrogen_Bond_Acceptor_Count	4
11137427	Defined_Atom_Stereo_Count	0
139147285	Hydrogen_Bond_Donor_Count	1
69982	Hydrogen_Bond_Acceptor_Count	3
5371102	Undefined_Bond_Stereo_Count	0
21152819	Undefined_Atom_Stereo_Count	2
19606817	Molecular_Weight	96.13
5978	Defined_Bond_Stereo_Count	0
11105310	Defined_Bond_Stereo_Count	0
21630	Tautomer_Count	1
20684386	Covalent_Unit_Count	1
146461	Undefined_Atom_Stereo_Count	0
518516	TPSA	20.2
13908	Molecular_Weight	216.26
14844402	Mono_Isotopic_Weight	526.2023205
193	Exact_Mass	384.12158893
429095	Rotatable_Bond_Count	5
445995	Tautomer_Count	1
23564147	Exact_Mass	112.088815002
2649	Hydrogen_Bond_Donor_Count	4
13087266	Hydrogen_Bond_Acceptor_Count	1
129856110	Hydrogen_Bond_Donor_Count	4
575278	Exact_Mass	115.099714038
23352408	Structure_Complexity	96.6
29199	Hydrogen_Bond_Donor_Count	2
398652	Defined_Atom_Stereo_Count	0
9960569	Undefined_Atom_Stereo_Count	0
3940691	Non-hydrogen_Atom_Count	16
5497123	Structure_Complexity	345
10104005	TPSA	38.4
21680715	Defined_Atom_Stereo_Count	4
686752	Undefined_Bond_Stereo_Count	0
11105655	Hydrogen_Bond_Donor_Count	0
13003788	Total_Formal_Charge	0
72401	Non-hydrogen_Atom_Count	30
53315139	Hydrogen_Bond_Acceptor_Count	24
20996	Hydrogen_Bond_Acceptor_Count	0
5353897	Defined_Atom_Stereo_Count	0
12202791	Isotope_Atom_Count	0
123664524	Covalent_Unit_Count	1
24860548	Total_Formal_Charge	0
69667	Hydrogen_Bond_Acceptor_Count	0
11377211	Defined_Atom_Stereo_Count	6
7951	Structure_Complexity	82.9
68316758	Non-hydrogen_Atom_Count	8
54258195	Hydrogen_Bond_Acceptor_Count	3
89150	Total_Formal_Charge	0
33558	Undefined_Bond_Stereo_Count	0
119570	Non-hydrogen_Atom_Count	14
3037261	Hydrogen_Bond_Acceptor_Count	3
10021783	XLogP3-AA	5.4
5249	Covalent_Unit_Count	1
15205080	Undefined_Atom_Stereo_Count	1
80349	Rotatable_Bond_Count	2
20592372	Non-hydrogen_Atom_Count	7
8136	Hydrogen_Bond_Donor_Count	0
10704662	Rotatable_Bond_Count	0
18719616	Hydrogen_Bond_Acceptor_Count	3
135398514	Undefined_Bond_Stereo_Count	0
10987299	Isotope_Atom_Count	0
88454	TPSA	26.3
70452	Mono_Isotopic_Weight	87.104799419
87653	Covalent_Unit_Count	1
71317097	Hydrogen_Bond_Donor_Count	5
129720364	Mono_Isotopic_Weight	283.16443955
5283339	Tautomer_Count	4
84393	Defined_Bond_Stereo_Count	0
14829	Structure_Complexity	2
557816	Non-hydrogen_Atom_Count	8
5486998	Tautomer_Count	3
6432238	Structure_Complexity	2.8
5320547	Structure_Complexity	255
89374436	Defined_Atom_Stereo_Count	0
146159775	Total_Formal_Charge	0
69656	Non-hydrogen_Atom_Count	6
18509075	Undefined_Atom_Stereo_Count	0
70002683	Undefined_Bond_Stereo_Count	0
903738	Exact_Mass	338.0491912
5005	Non-hydrogen_Atom_Count	32
9970626	Molecular_Weight	275.3
25324	Structure_Complexity	212
8983	Undefined_Atom_Stereo_Count	0
280526	Defined_Atom_Stereo_Count	0
138404353	Undefined_Atom_Stereo_Count	0
606430	Mono_Isotopic_Weight	208.109944368
11153672	Isotope_Atom_Count	0
129631468	Total_Formal_Charge	0
453131	XLogP3	0.9
446727	Structure_Complexity	450
641773	Undefined_Bond_Stereo_Count	0
45267632	Structure_Complexity	743
258	Hydrogen_Bond_Acceptor_Count	7
272991	Non-hydrogen_Atom_Count	30
108108	Total_Formal_Charge	0
1097	TPSA	347
7413	Isotope_Atom_Count	0
523523	Mono_Isotopic_Weight	96.093900383
55291103	Mono_Isotopic_Weight	114.042927438
57249770	TPSA	54.4
1519	Undefined_Bond_Stereo_Count	0
40898	Non-hydrogen_Atom_Count	8
10687	Tautomer_Count	9
12521030	Exact_Mass	223.98509127
672296	Isotope_Atom_Count	0
71773446	Rotatable_Bond_Count	6
77290	Covalent_Unit_Count	1
52195	Mono_Isotopic_Weight	308.188863393
3221	Undefined_Atom_Stereo_Count	0
7001	Undefined_Atom_Stereo_Count	0
72941511	Non-hydrogen_Atom_Count	31
56626368	Structure_Complexity	74.2
3622	Undefined_Bond_Stereo_Count	0
71751553	Molecular_Weight	396.3
14343599	Undefined_Atom_Stereo_Count	0
3036931	Isotope_Atom_Count	0
67811115	Defined_Atom_Stereo_Count	0
135814	Mono_Isotopic_Weight	296.17360725
86093867	Total_Formal_Charge	0
10434	Covalent_Unit_Count	1
3681	Isotope_Atom_Count	0
572565	Mono_Isotopic_Weight	108.043596145
54167752	Mono_Isotopic_Weight	95.94876769
21823262	Non-hydrogen_Atom_Count	6
61571	Hydrogen_Bond_Donor_Count	0
90727	Defined_Atom_Stereo_Count	0
54582513	Hydrogen_Bond_Acceptor_Count	2
13400658	Isotope_Atom_Count	0
19029677	Isotope_Atom_Count	0
123223	Hydrogen_Bond_Donor_Count	0
10091748	Defined_Atom_Stereo_Count	0
3456	Defined_Atom_Stereo_Count	0
3363	Undefined_Atom_Stereo_Count	3
55285	Defined_Bond_Stereo_Count	0
34927	Undefined_Atom_Stereo_Count	0
139938268	Molecular_Weight	105.14
9806063	Rotatable_Bond_Count	0
54228006	Undefined_Atom_Stereo_Count	0
22596604	Defined_Bond_Stereo_Count	0
23684827	Mono_Isotopic_Weight	138.97039376
74454	Total_Formal_Charge	0
4277439	Hydrogen_Bond_Donor_Count	1
101526	Hydrogen_Bond_Donor_Count	3
58099153	TPSA	13.1
12474173	Defined_Atom_Stereo_Count	0
2737121	Defined_Atom_Stereo_Count	0
129675901	Structure_Complexity	226
3801	Undefined_Bond_Stereo_Count	1
39328	Hydrogen_Bond_Donor_Count	1
39048	Isotope_Atom_Count	0
24866519	Undefined_Atom_Stereo_Count	0
21566834	Undefined_Atom_Stereo_Count	0
16213872	Defined_Bond_Stereo_Count	0
81902	Rotatable_Bond_Count	1
25715	Covalent_Unit_Count	2
11269297	Hydrogen_Bond_Donor_Count	3
25191022	Non-hydrogen_Atom_Count	36
11377	Defined_Bond_Stereo_Count	0
6597	Non-hydrogen_Atom_Count	6
42051894	Total_Formal_Charge	0
12285856	Mono_Isotopic_Weight	181.06966484
2654	Undefined_Bond_Stereo_Count	1
5377791	Hydrogen_Bond_Acceptor_Count	4
22594387	Isotope_Atom_Count	0
6433547	Defined_Atom_Stereo_Count	0
776222	Total_Formal_Charge	0
3773	Hydrogen_Bond_Acceptor_Count	3
13040869	Rotatable_Bond_Count	1
71584162	Total_Formal_Charge	0
149519	Total_Formal_Charge	0
163853278	Molecular_Weight	95.14
14078850	XLogP3-AA	4
21139953	Isotope_Atom_Count	0
54331	Rotatable_Bond_Count	4
135392883	Undefined_Atom_Stereo_Count	1
9378	Isotope_Atom_Count	0
144798	Structure_Complexity	37.5
138860	Structure_Complexity	168
7985	Non-hydrogen_Atom_Count	25
1265	Molecular_Weight	485.5
740525	Covalent_Unit_Count	1
67944215	Undefined_Atom_Stereo_Count	1
128600	Structure_Complexity	481
97727	Total_Formal_Charge	0
10360656	Hydrogen_Bond_Donor_Count	1
131751341	Isotope_Atom_Count	0
549780	TPSA	24.4
146474256	Hydrogen_Bond_Acceptor_Count	2
66986	Undefined_Atom_Stereo_Count	0
90478690	Isotope_Atom_Count	0
56841910	Defined_Atom_Stereo_Count	1
5280934	Covalent_Unit_Count	1
5354022	Total_Formal_Charge	0
64992139	Isotope_Atom_Count	0
4096517	Rotatable_Bond_Count	3
53465	Undefined_Atom_Stereo_Count	0
10040	Defined_Atom_Stereo_Count	0
17995818	Structure_Complexity	94.4
45749	Isotope_Atom_Count	0
17948845	Defined_Bond_Stereo_Count	0
11625386	Undefined_Bond_Stereo_Count	0
56672294	Defined_Atom_Stereo_Count	0
442504	Hydrogen_Bond_Donor_Count	0
641005	Exact_Mass	116.120115130
6324599	Structure_Complexity	1610
6837	Isotope_Atom_Count	0
53276	Rotatable_Bond_Count	6
19547	Defined_Bond_Stereo_Count	0
156614059	Covalent_Unit_Count	2
134826704	Exact_Mass	1142.51450758
165542	Total_Formal_Charge	0
14523552	Undefined_Atom_Stereo_Count	0
76191	Non-hydrogen_Atom_Count	11
20903	XLogP3-AA	1.3
441072	Molecular_Weight	127.23
154825561	TPSA	206
54378536	Total_Formal_Charge	0
7505	Hydrogen_Bond_Donor_Count	0
65681	Hydrogen_Bond_Acceptor_Count	3
60710317	XLogP3-AA	0.1
4103	Covalent_Unit_Count	1
4211	Covalent_Unit_Count	1
54227233	Defined_Bond_Stereo_Count	0
82131	Mono_Isotopic_Weight	213.96294
75846	TPSA	76.4
5230726	Mono_Isotopic_Weight	264.175224706
134688993	Molecular_Weight	263.78
6669	Tautomer_Count	2
154354742	Undefined_Bond_Stereo_Count	0
53786	Hydrogen_Bond_Acceptor_Count	4
638186	Total_Formal_Charge	0
102004607	Hydrogen_Bond_Donor_Count	17
123334	Molecular_Weight	36.006
55300295	TPSA	29.1
79302	Structure_Complexity	132
83970	Hydrogen_Bond_Acceptor_Count	12
13347992	Rotatable_Bond_Count	0
12260467	Exact_Mass	109.089149355
19516	Hydrogen_Bond_Acceptor_Count	2
10131132	Undefined_Bond_Stereo_Count	0
439168	Tautomer_Count	4
12432039	Non-hydrogen_Atom_Count	6
11612445	Undefined_Atom_Stereo_Count	1
136657690	Total_Formal_Charge	0
135402009	Molecular_Weight	473.4
565843	TPSA	109
92299	Total_Formal_Charge	0
277	Defined_Bond_Stereo_Count	0
11123355	Structure_Complexity	101
15981894	Isotope_Atom_Count	0
411817	Covalent_Unit_Count	1
97289	Undefined_Atom_Stereo_Count	0
820051	XLogP3-AA	0.2
78723	Hydrogen_Bond_Donor_Count	1
963699	Exact_Mass	289.0869564
123392765	Total_Formal_Charge	0
2724429	Rotatable_Bond_Count	4
44126086	TPSA	106
373949	Structure_Complexity	193
9577986	Mono_Isotopic_Weight	420.20088463
59348	XLogP3-AA	2.5
21466942	Total_Formal_Charge	0
19041912	Mono_Isotopic_Weight	113.047678466
12312963	Undefined_Atom_Stereo_Count	0
2540	Hydrogen_Bond_Donor_Count	1
5284650	Non-hydrogen_Atom_Count	15
118210492	Hydrogen_Bond_Donor_Count	0
15660	Hydrogen_Bond_Acceptor_Count	2
15842094	XLogP3-AA	8
10887840	Hydrogen_Bond_Donor_Count	1
61305	TPSA	142
16218636	Undefined_Atom_Stereo_Count	0
5159	Defined_Atom_Stereo_Count	0
162171	XLogP3	2.5
81896	Undefined_Bond_Stereo_Count	0
11957590	Rotatable_Bond_Count	6
10517	Rotatable_Bond_Count	9
390658	Isotope_Atom_Count	0
11972518	Exact_Mass	1110.57633051
2583694	Undefined_Bond_Stereo_Count	0
243521	Rotatable_Bond_Count	2
17549	Covalent_Unit_Count	1
42715	Hydrogen_Bond_Donor_Count	0
59736263	TPSA	63.8
117957447	Mono_Isotopic_Weight	102.079312947
53316418	Hydrogen_Bond_Acceptor_Count	11
135398731	Molecular_Weight	521.21
19956	Defined_Bond_Stereo_Count	0
169016	Hydrogen_Bond_Acceptor_Count	5
6796	Isotope_Atom_Count	0
66086	Tautomer_Count	1
54602348	Rotatable_Bond_Count	0
10082421	TPSA	46.5
7020657	Undefined_Bond_Stereo_Count	0
10654192	Molecular_Weight	112.13
219224	Rotatable_Bond_Count	3
166486721	TPSA	20.3
3018793	Defined_Atom_Stereo_Count	0
24752885	Exact_Mass	270.18310931
25070195	Structure_Complexity	536
14298876	Covalent_Unit_Count	1
6436055	Exact_Mass	453.07767569
64423	Non-hydrogen_Atom_Count	22
25160	TPSA	46.6
73896891	Defined_Atom_Stereo_Count	12
120	Total_Formal_Charge	0
14017772	Non-hydrogen_Atom_Count	8
10500527	Mono_Isotopic_Weight	389.05447821
11274968	Hydrogen_Bond_Donor_Count	0
5462328	Exact_Mass	369.15762283
17014	Undefined_Atom_Stereo_Count	0
14970970	Structure_Complexity	109
92268	Covalent_Unit_Count	1
9868580	Hydrogen_Bond_Acceptor_Count	4
11974	Undefined_Bond_Stereo_Count	0
53917786	Covalent_Unit_Count	1
3003191	Molecular_Weight	324.4
77996	Mono_Isotopic_Weight	416.32904526
46203882	Rotatable_Bond_Count	1
10648	Non-hydrogen_Atom_Count	16
112029	Undefined_Atom_Stereo_Count	1
20137	Hydrogen_Bond_Acceptor_Count	2
21161643	Covalent_Unit_Count	1
1291	Isotope_Atom_Count	0
63333521	Rotatable_Bond_Count	0
5354499	Isotope_Atom_Count	0
10035228	Exact_Mass	181.06674293
56663313	Undefined_Bond_Stereo_Count	0
13367	Defined_Atom_Stereo_Count	0
154825229	Molecular_Weight	218.33
77332	TPSA	9.2
11962267	Defined_Atom_Stereo_Count	0
25213	Defined_Atom_Stereo_Count	0
5353521	Isotope_Atom_Count	0
4130	Undefined_Atom_Stereo_Count	0
11858154	XLogP3-AA	3.4
734033	TPSA	40.6
9859	Mono_Isotopic_Weight	262.24720734
10898649	Hydrogen_Bond_Acceptor_Count	2
117965	Hydrogen_Bond_Donor_Count	2
14325610	Isotope_Atom_Count	0
58505	TPSA	86.9
54173839	Rotatable_Bond_Count	2
1573	Total_Formal_Charge	0
135410917	Undefined_Bond_Stereo_Count	0
21804	Non-hydrogen_Atom_Count	18
9826358	Exact_Mass	478.20029610
11189402	Hydrogen_Bond_Donor_Count	1
135398735	Defined_Atom_Stereo_Count	9
57358493	Tautomer_Count	36
656587	Covalent_Unit_Count	2
46195832	Exact_Mass	752.1575354
10909482	Structure_Complexity	85.4
636397	Rotatable_Bond_Count	7
16692	Structure_Complexity	254
31238	Exact_Mass	260.250401021
6604866	XLogP3	2.7
59883	Exact_Mass	417.24162724
10132844	Isotope_Atom_Count	0
15853020	XLogP3-AA	0.3
11094545	Undefined_Bond_Stereo_Count	0
4060	Mono_Isotopic_Weight	218.105527694
14667	Rotatable_Bond_Count	4
7672	Defined_Atom_Stereo_Count	0
54704426	Total_Formal_Charge	0
60154328	Mono_Isotopic_Weight	285.13380813
5364712	Hydrogen_Bond_Donor_Count	1
180576	Rotatable_Bond_Count	3
160368576	Total_Formal_Charge	0
9597	Rotatable_Bond_Count	3
55317	Undefined_Bond_Stereo_Count	0
45934213	Total_Formal_Charge	0
91742	Hydrogen_Bond_Donor_Count	1
371715	Rotatable_Bond_Count	1
436515	Covalent_Unit_Count	1
153929434	Mono_Isotopic_Weight	98.036779430
5284517	Isotope_Atom_Count	0
793266	Total_Formal_Charge	0
6420057	Tautomer_Count	1
11768605	Undefined_Bond_Stereo_Count	0
12219387	Rotatable_Bond_Count	1
142994149	Molecular_Weight	98.10
124009720	Hydrogen_Bond_Acceptor_Count	2
19094	Structure_Complexity	179
59907918	Molecular_Weight	342.30
21343689	Hydrogen_Bond_Acceptor_Count	0
71681318	Undefined_Atom_Stereo_Count	2
7543	Defined_Atom_Stereo_Count	0
70476156	Hydrogen_Bond_Donor_Count	3
836002	Hydrogen_Bond_Acceptor_Count	2
518727	Undefined_Bond_Stereo_Count	0
16406	Rotatable_Bond_Count	5
54258707	Rotatable_Bond_Count	2
439192	Hydrogen_Bond_Acceptor_Count	6
17258	Defined_Bond_Stereo_Count	0
70377524	Defined_Bond_Stereo_Count	0
66840	Hydrogen_Bond_Acceptor_Count	3
536549	Rotatable_Bond_Count	0
38875	Undefined_Bond_Stereo_Count	0
84715968	Mono_Isotopic_Weight	97.089149355
20058737	Total_Formal_Charge	0
74266	Isotope_Atom_Count	0
91506	Exact_Mass	911.15746899
71916	Hydrogen_Bond_Acceptor_Count	4
114994	Defined_Atom_Stereo_Count	0
11399084	Undefined_Bond_Stereo_Count	0
59445439	Exact_Mass	180.06338810
25116	Molecular_Weight	212.67
105426997	Total_Formal_Charge	0
10214	Defined_Bond_Stereo_Count	0
136738541	Exact_Mass	1115.33041247
129893524	Hydrogen_Bond_Acceptor_Count	21
342681	Undefined_Atom_Stereo_Count	0
730852	Isotope_Atom_Count	0
8882	Defined_Atom_Stereo_Count	0
159027	Molecular_Weight	127.18
1024	Total_Formal_Charge	0
9860424	Structure_Complexity	378
40473166	Covalent_Unit_Count	1
317542	Mono_Isotopic_Weight	112.088815002
57302612	Non-hydrogen_Atom_Count	6
7059	XLogP3	2.6
5153297	Hydrogen_Bond_Donor_Count	2
16156	Structure_Complexity	336
88482362	Hydrogen_Bond_Donor_Count	0
4449	Covalent_Unit_Count	1
5362620	Isotope_Atom_Count	0
36457	Total_Formal_Charge	0
2513	Molecular_Weight	138.00
54585373	Total_Formal_Charge	0
28754	Non-hydrogen_Atom_Count	31
23574562	Structure_Complexity	143
62926	Total_Formal_Charge	0
135509117	Total_Formal_Charge	0
674188	Total_Formal_Charge	0
8642	Mono_Isotopic_Weight	326.03153051
26747	TPSA	40.5
25074469	Hydrogen_Bond_Acceptor_Count	21
58714	Molecular_Weight	197.23
9815299	Undefined_Atom_Stereo_Count	0
21766189	Non-hydrogen_Atom_Count	8
886088	Mono_Isotopic_Weight	338.0921014
720471	Total_Formal_Charge	0
29685	Isotope_Atom_Count	0
3955344	Tautomer_Count	16
49865919	Undefined_Atom_Stereo_Count	0
158849	Molecular_Weight	1028.8
60148392	Mono_Isotopic_Weight	403.09397682
39268	Defined_Atom_Stereo_Count	0
84720	Total_Formal_Charge	0
224244	Exact_Mass	112.088815002
5352974	Non-hydrogen_Atom_Count	13
57707	Hydrogen_Bond_Acceptor_Count	3
72441	TPSA	144
513886	TPSA	89.8
11451	Molecular_Weight	174.18
26375	Total_Formal_Charge	0
74320	Molecular_Weight	412.95
4695	TPSA	132
54345713	Total_Formal_Charge	0
9883915	Isotope_Atom_Count	0
133562683	Molecular_Weight	721.8
411828	TPSA	12.5
68517380	Undefined_Atom_Stereo_Count	0
129876172	Rotatable_Bond_Count	4
71300410	Rotatable_Bond_Count	0
75081	Hydrogen_Bond_Donor_Count	0
9886249	Total_Formal_Charge	0
17593	Hydrogen_Bond_Acceptor_Count	2
4144353	Undefined_Atom_Stereo_Count	0
76592	Total_Formal_Charge	0
439271	Rotatable_Bond_Count	5
133637885	Isotope_Atom_Count	0
15037	Defined_Atom_Stereo_Count	0
6606	TPSA	20.2
8033	Exact_Mass	146.130679813
6951123	Covalent_Unit_Count	1
14445624	Undefined_Bond_Stereo_Count	0
53395363	Rotatable_Bond_Count	3
13933900	TPSA	35.3
596336	Defined_Atom_Stereo_Count	0
8020	Structure_Complexity	12.4
8549	Defined_Atom_Stereo_Count	3
55296078	Rotatable_Bond_Count	1
443970	Undefined_Atom_Stereo_Count	0
16659838	Undefined_Bond_Stereo_Count	0
10686	XLogP3	3.6
23276065	Mono_Isotopic_Weight	362.0144595
94865124	Covalent_Unit_Count	1
86422	Tautomer_Count	1
44589090	Undefined_Bond_Stereo_Count	0
107876	Hydrogen_Bond_Acceptor_Count	13
166556	Isotope_Atom_Count	0
736858	Non-hydrogen_Atom_Count	12
14041489	Total_Formal_Charge	0
15657909	Total_Formal_Charge	0
138991601	XLogP3-AA	4.6
500	Defined_Bond_Stereo_Count	0
317457	Defined_Bond_Stereo_Count	0
56682220	Hydrogen_Bond_Acceptor_Count	5
20691661	Hydrogen_Bond_Donor_Count	2
8164	TPSA	26.3
98136	Hydrogen_Bond_Donor_Count	1
5360886	TPSA	62.1
88525	Undefined_Atom_Stereo_Count	0
6436924	Defined_Atom_Stereo_Count	0
54680675	TPSA	188
1684	XLogP3-AA	4.6
86063	Non-hydrogen_Atom_Count	13
15677238	Undefined_Bond_Stereo_Count	0
14784415	XLogP3-AA	0
68205	Mono_Isotopic_Weight	334.08412354
18358	Defined_Atom_Stereo_Count	0
12250	Defined_Atom_Stereo_Count	0
20219	Isotope_Atom_Count	0
12702817	XLogP3-AA	1
6971097	Undefined_Atom_Stereo_Count	0
14714336	Non-hydrogen_Atom_Count	8
75195	Covalent_Unit_Count	1
57563	Undefined_Atom_Stereo_Count	0
284948	Hydrogen_Bond_Acceptor_Count	6
19705594	Defined_Atom_Stereo_Count	0
72573106	TPSA	58.3
529333	Defined_Atom_Stereo_Count	0
64218	Structure_Complexity	387
117933221	Rotatable_Bond_Count	0
88703	Undefined_Atom_Stereo_Count	0
70685868	Isotope_Atom_Count	0
79000	Non-hydrogen_Atom_Count	8
13158	Covalent_Unit_Count	2
231010	Non-hydrogen_Atom_Count	19
80085	Defined_Atom_Stereo_Count	0
8188	Non-hydrogen_Atom_Count	12
92363	Structure_Complexity	136
397053	Rotatable_Bond_Count	4
51030053	Mono_Isotopic_Weight	396.19098865
123971568	Covalent_Unit_Count	1
54475034	Undefined_Bond_Stereo_Count	0
13207481	Mono_Isotopic_Weight	117.078978594
11115995	TPSA	43.4
76958	Rotatable_Bond_Count	19
135442941	Covalent_Unit_Count	2
227996	Rotatable_Bond_Count	2
86187	XLogP3-AA	2
7252	Undefined_Atom_Stereo_Count	0
62656	Defined_Atom_Stereo_Count	0
72038	Molecular_Weight	295.4
57394389	Covalent_Unit_Count	1
23675796	Exact_Mass	295.99666808
12364760	Hydrogen_Bond_Acceptor_Count	1
6441012	Total_Formal_Charge	0
85026	Defined_Atom_Stereo_Count	0
122214878	Isotope_Atom_Count	0
542556	Undefined_Atom_Stereo_Count	0
141233	Hydrogen_Bond_Acceptor_Count	0
6456015	Hydrogen_Bond_Acceptor_Count	9
237031	Mono_Isotopic_Weight	112.063662883
101707	Exact_Mass	235.136099547
135436543	Mono_Isotopic_Weight	204.089877630
521928	Molecular_Weight	330.5
12206947	Exact_Mass	111.068413911
3009	Defined_Bond_Stereo_Count	0
11249248	Undefined_Atom_Stereo_Count	0
71587288	Non-hydrogen_Atom_Count	33
25750	TPSA	65.1
71105	TPSA	71.4
14140995	Rotatable_Bond_Count	0
24211936	Hydrogen_Bond_Acceptor_Count	5
2327	Non-hydrogen_Atom_Count	18
12049	Tautomer_Count	1
153	Hydrogen_Bond_Donor_Count	5
61203	Exact_Mass	188.03208797
4144353	Defined_Atom_Stereo_Count	0
11768518	Defined_Bond_Stereo_Count	0
12323351	Total_Formal_Charge	0
57750343	Isotope_Atom_Count	0
566735	Molecular_Weight	98.10
12828792	Rotatable_Bond_Count	2
99334	Hydrogen_Bond_Donor_Count	0
1519	Defined_Atom_Stereo_Count	0
11576068	Undefined_Atom_Stereo_Count	0
5413034	XLogP3-AA	2.4
7263	Mono_Isotopic_Weight	142.0297759
12760717	Undefined_Bond_Stereo_Count	0
16158208	Total_Formal_Charge	0
9415	Defined_Bond_Stereo_Count	0
216210	Molecular_Weight	471.5
757	Molecular_Weight	76.05
21768	Non-hydrogen_Atom_Count	11
13349554	Structure_Complexity	107
16684171	Hydrogen_Bond_Donor_Count	0
7022	Mono_Isotopic_Weight	239.02522894
6730	Undefined_Bond_Stereo_Count	0
7459	Defined_Atom_Stereo_Count	0
6102820	Hydrogen_Bond_Acceptor_Count	5
101074209	TPSA	215
71395877	XLogP3-AA	2.2
131852189	Structure_Complexity	303
70128954	Hydrogen_Bond_Acceptor_Count	1
13884	Molecular_Weight	162.18
566597	Undefined_Bond_Stereo_Count	0
91945062	Isotope_Atom_Count	0
85178	Structure_Complexity	281
13810419	Non-hydrogen_Atom_Count	8
53477715	Molecular_Weight	639.5
20294925	XLogP3	0.3
19385	Total_Formal_Charge	0
68901	TPSA	121
11954310	Rotatable_Bond_Count	11
64965	Rotatable_Bond_Count	3
90936519	Structure_Complexity	2330
95416	Structure_Complexity	312
16684171	Defined_Bond_Stereo_Count	0
14069104	Structure_Complexity	148
44563109	Defined_Atom_Stereo_Count	0
141814359	Total_Formal_Charge	0
12479	TPSA	52.6
9834591	Exact_Mass	235.01505818
91772	Undefined_Atom_Stereo_Count	0
41506	Mono_Isotopic_Weight	346.13805082
87481019	TPSA	17.1
8408	Non-hydrogen_Atom_Count	15
17734	Mono_Isotopic_Weight	255.12190603
71624685	Hydrogen_Bond_Donor_Count	1
59772010	Isotope_Atom_Count	0
68741938	Exact_Mass	559.31341002
12658	Undefined_Bond_Stereo_Count	2
23662383	Structure_Complexity	210
8843	Non-hydrogen_Atom_Count	11
5460308	Defined_Bond_Stereo_Count	0
95187	Rotatable_Bond_Count	0
23219736	Undefined_Bond_Stereo_Count	0
71307528	Total_Formal_Charge	0
17825297	Defined_Bond_Stereo_Count	0
162990683	Total_Formal_Charge	0
16202184	TPSA	99.4
198576	Mono_Isotopic_Weight	313.240564612
390049	Mono_Isotopic_Weight	418.14163842
115011065	Isotope_Atom_Count	0
137075	TPSA	15.8
31390	Hydrogen_Bond_Acceptor_Count	4
104711138	Undefined_Atom_Stereo_Count	1
14029615	Defined_Atom_Stereo_Count	1
11346	Structure_Complexity	197
638026	Undefined_Atom_Stereo_Count	0
86412	XLogP3-AA	2.3
13199217	Non-hydrogen_Atom_Count	8
16768425	Hydrogen_Bond_Donor_Count	1
11366953	Exact_Mass	94.078250319
13792437	Undefined_Bond_Stereo_Count	0
711656	Rotatable_Bond_Count	0
5362858	Undefined_Atom_Stereo_Count	1
84597	Covalent_Unit_Count	1
5492929	Total_Formal_Charge	0
1201549	Structure_Complexity	340
5462310	Undefined_Atom_Stereo_Count	0
101063449	Exact_Mass	442.19915329
1820	Mono_Isotopic_Weight	179.03825660
4426	Exact_Mass	445.20015635
119098876	XLogP3-AA	17.5
9679	Isotope_Atom_Count	0
6185	Rotatable_Bond_Count	2
6922965	Hydrogen_Bond_Acceptor_Count	1
10479060	Structure_Complexity	709
84693	Mono_Isotopic_Weight	112.088815002
3362	Defined_Atom_Stereo_Count	0
38140	Total_Formal_Charge	0
5156	Undefined_Bond_Stereo_Count	0
71857	Exact_Mass	375.15426879
141516912	Defined_Bond_Stereo_Count	0
59173	Defined_Bond_Stereo_Count	0
96381	Exact_Mass	220.146329876
22323434	Exact_Mass	466.19771322
3267	Defined_Atom_Stereo_Count	0
122361528	XLogP3-AA	4
129508	Non-hydrogen_Atom_Count	26
4093	Molecular_Weight	86.09
23703979	Hydrogen_Bond_Acceptor_Count	9
91434	Hydrogen_Bond_Donor_Count	4
85824359	Exact_Mass	108.093900383
6918331	Defined_Bond_Stereo_Count	0
13795006	Undefined_Bond_Stereo_Count	0
20693488	Isotope_Atom_Count	0
22842006	Structure_Complexity	808
28523	Hydrogen_Bond_Acceptor_Count	22
65764	Hydrogen_Bond_Donor_Count	0
139292186	Defined_Bond_Stereo_Count	2
165598	Exact_Mass	177.04596439
543237	Total_Formal_Charge	0
22134026	XLogP3-AA	0
67713	Total_Formal_Charge	0
153991111	Undefined_Atom_Stereo_Count	1
328397	Undefined_Bond_Stereo_Count	0
14930392	Rotatable_Bond_Count	2
13450501	TPSA	0
101992406	Molecular_Weight	111.07
11731903	Exact_Mass	391.00951716
57123750	Hydrogen_Bond_Donor_Count	5
12442892	Mono_Isotopic_Weight	534.22651085
667490	Hydrogen_Bond_Donor_Count	2
42552697	Isotope_Atom_Count	0
5657	Covalent_Unit_Count	1
12523	Rotatable_Bond_Count	13
933	Undefined_Bond_Stereo_Count	0
87953	Rotatable_Bond_Count	17
116841780	Mono_Isotopic_Weight	109.089149355
843190	Mono_Isotopic_Weight	333.09358328
154809859	Undefined_Bond_Stereo_Count	1
134823960	Molecular_Weight	266.34
3609	Undefined_Bond_Stereo_Count	0
247704	TPSA	72.7
54467044	Total_Formal_Charge	0
21080	Structure_Complexity	348
120393	XLogP3	2.8
75614	Isotope_Atom_Count	0
37524	Mono_Isotopic_Weight	156.162648646
9794159	Defined_Bond_Stereo_Count	0
131740853	Hydrogen_Bond_Donor_Count	3
71679077	Undefined_Bond_Stereo_Count	0
10306	XLogP3-AA	3.3
39164	XLogP3-AA	4.2
53384391	Exact_Mass	1456.4334786
46853873	Non-hydrogen_Atom_Count	93
2883813	Undefined_Bond_Stereo_Count	0
4402648	Hydrogen_Bond_Donor_Count	2
13046623	Undefined_Atom_Stereo_Count	0
71733	Structure_Complexity	287
6450232	Isotope_Atom_Count	0
520540	Total_Formal_Charge	0
46216142	Rotatable_Bond_Count	3
150736	Mono_Isotopic_Weight	204.06338810
123555270	Total_Formal_Charge	0
58247643	Hydrogen_Bond_Donor_Count	1
12103	Isotope_Atom_Count	0
41541	Defined_Bond_Stereo_Count	0
52355	Covalent_Unit_Count	1
17131	Tautomer_Count	1
102515443	Hydrogen_Bond_Acceptor_Count	12
144512943	Exact_Mass	100.063662883
16051	XLogP3-AA	4
47547	Isotope_Atom_Count	0
12562198	Total_Formal_Charge	0
10245972	Covalent_Unit_Count	1
9860424	Defined_Bond_Stereo_Count	0
70691434	Covalent_Unit_Count	1
120508	Defined_Bond_Stereo_Count	0
12359154	Defined_Bond_Stereo_Count	0
168256	Structure_Complexity	511
70482	XLogP3-AA	0.1
7030	Undefined_Atom_Stereo_Count	0
36811	Isotope_Atom_Count	0
237	Hydrogen_Bond_Donor_Count	1
21864086	Undefined_Bond_Stereo_Count	0
10310138	Total_Formal_Charge	0
11386	Isotope_Atom_Count	0
78358485	Covalent_Unit_Count	1
16051954	TPSA	531
46181941	Undefined_Atom_Stereo_Count	1
6016	Exact_Mass	299.15819492
903675	Undefined_Atom_Stereo_Count	0
8153	Isotope_Atom_Count	0
20571541	Rotatable_Bond_Count	3
22563	Total_Formal_Charge	0
64149	Total_Formal_Charge	0
133136	TPSA	59
130013569	Isotope_Atom_Count	0
57768583	Isotope_Atom_Count	0
135410917	Undefined_Atom_Stereo_Count	0
13245702	Hydrogen_Bond_Acceptor_Count	0
21233	Hydrogen_Bond_Donor_Count	0
2317	Undefined_Atom_Stereo_Count	0
439570	Covalent_Unit_Count	1
10052040	Isotope_Atom_Count	0
24812	Isotope_Atom_Count	0
12707110	Exact_Mass	85.052763847
21498	Undefined_Atom_Stereo_Count	0
387179	Defined_Atom_Stereo_Count	0
2250	Defined_Bond_Stereo_Count	0
17326	Undefined_Atom_Stereo_Count	0
3048356	TPSA	23.5
68666	Mono_Isotopic_Weight	478.04393321
986	Covalent_Unit_Count	1
539829	TPSA	52.6
9952884	Mono_Isotopic_Weight	401.11577528
516910	TPSA	52.5
22477643	Hydrogen_Bond_Donor_Count	1
964	Non-hydrogen_Atom_Count	7
12431744	Mono_Isotopic_Weight	92.026214747
98172	Defined_Atom_Stereo_Count	0
2229	Tautomer_Count	1
71986	Isotope_Atom_Count	0
670359	Hydrogen_Bond_Acceptor_Count	4
135983	Covalent_Unit_Count	1
12069	Non-hydrogen_Atom_Count	15
77918	Structure_Complexity	130
11261	Undefined_Bond_Stereo_Count	0
3034394	Defined_Bond_Stereo_Count	0
5289373	TPSA	97.7
7340	Defined_Atom_Stereo_Count	0
71625272	Structure_Complexity	464
71221	XLogP3-AA	2.2
31362	Isotope_Atom_Count	0
18668047	Hydrogen_Bond_Donor_Count	1
3014084	Exact_Mass	99.032028402
10246085	Hydrogen_Bond_Acceptor_Count	3
70119	Structure_Complexity	77
9081	Non-hydrogen_Atom_Count	10
22041940	Covalent_Unit_Count	1
7077	Structure_Complexity	235
141354627	TPSA	59.4
44814423	Hydrogen_Bond_Donor_Count	4
18990949	Exact_Mass	101.047678466
101194	XLogP3-AA	0.2
27756	Defined_Atom_Stereo_Count	0
2733779	Hydrogen_Bond_Acceptor_Count	8
941385	TPSA	71.1
19101060	Defined_Bond_Stereo_Count	0
9417	Hydrogen_Bond_Acceptor_Count	4
2784	Non-hydrogen_Atom_Count	26
38875	Undefined_Atom_Stereo_Count	0
74695	Isotope_Atom_Count	0
55250378	Rotatable_Bond_Count	0
10034579	Undefined_Bond_Stereo_Count	0
92965	Non-hydrogen_Atom_Count	19
905275	Isotope_Atom_Count	0
65926	Molecular_Weight	204.27
1641	Isotope_Atom_Count	0
136070	Rotatable_Bond_Count	0
12296	Undefined_Bond_Stereo_Count	0
123934238	Undefined_Atom_Stereo_Count	3
11426929	Defined_Atom_Stereo_Count	0
11027	Structure_Complexity	207
13066	Molecular_Weight	228.31
66187	Total_Formal_Charge	0
59167199	Molecular_Weight	110.20
14453671	Undefined_Bond_Stereo_Count	0
5360134	Rotatable_Bond_Count	2
49769064	Defined_Atom_Stereo_Count	10
26360	Isotope_Atom_Count	0
9793723	Non-hydrogen_Atom_Count	8
6102852	Mono_Isotopic_Weight	605.13321
6238	Hydrogen_Bond_Acceptor_Count	3
89240655	XLogP3-AA	1.1
24978601	Covalent_Unit_Count	1
57000164	Exact_Mass	113.011292958
62398142	TPSA	35.8
10117987	Defined_Bond_Stereo_Count	0
3816	Hydrogen_Bond_Donor_Count	3
71433469	Rotatable_Bond_Count	0
53316474	Isotope_Atom_Count	0
140066067	Molecular_Weight	107.11
19016	Non-hydrogen_Atom_Count	10
66840	Molecular_Weight	244.04
11286453	Total_Formal_Charge	0
64968	Hydrogen_Bond_Acceptor_Count	14
439377	Non-hydrogen_Atom_Count	11
21139920	Total_Formal_Charge	0
226	Molecular_Weight	79.038
136647975	Undefined_Bond_Stereo_Count	0
8584	Defined_Bond_Stereo_Count	0
60199634	Structure_Complexity	726
57704514	Defined_Bond_Stereo_Count	0
11116690	Exact_Mass	182.05831813
12306254	Non-hydrogen_Atom_Count	7
230076	Mono_Isotopic_Weight	1084.47265329
135413504	Total_Formal_Charge	0
54580767	Defined_Bond_Stereo_Count	0
71345	Hydrogen_Bond_Donor_Count	0
439255	Molecular_Weight	152.15
904	Defined_Bond_Stereo_Count	0
6762	Molecular_Weight	446.0
636364	Molecular_Weight	549.6
17050	Total_Formal_Charge	0
26375	Hydrogen_Bond_Donor_Count	0
2966	Mono_Isotopic_Weight	175.110947427
274	Hydrogen_Bond_Acceptor_Count	10
130032075	Undefined_Atom_Stereo_Count	0
32343	Defined_Bond_Stereo_Count	0
49836027	Undefined_Atom_Stereo_Count	0
22947	Undefined_Bond_Stereo_Count	0
2318095	Undefined_Atom_Stereo_Count	0
24939268	Undefined_Atom_Stereo_Count	0
393601	Structure_Complexity	778
798232	Molecular_Weight	340.8
715567	Covalent_Unit_Count	1
21058	Structure_Complexity	273
79081	Tautomer_Count	1
170472	TPSA	129
7048801	Rotatable_Bond_Count	3
429	TPSA	155
139081837	Hydrogen_Bond_Acceptor_Count	4
138891	Undefined_Atom_Stereo_Count	1
85551668	Mono_Isotopic_Weight	117.042593085
56453	Defined_Bond_Stereo_Count	0
21798	Defined_Bond_Stereo_Count	0
11164	Isotope_Atom_Count	0
103656	XLogP3-AA	2
53631972	Total_Formal_Charge	0
123212370	Defined_Atom_Stereo_Count	0
5311108	Undefined_Atom_Stereo_Count	0
91264731	Covalent_Unit_Count	1
108147	Hydrogen_Bond_Acceptor_Count	12
120096	Tautomer_Count	1
17835	Structure_Complexity	66.4
6996	Hydrogen_Bond_Acceptor_Count	1
16217806	Defined_Atom_Stereo_Count	1
69462056	Non-hydrogen_Atom_Count	8
23670844	Exact_Mass	267.96536795
456161	Rotatable_Bond_Count	9
23964	Undefined_Bond_Stereo_Count	0
91663303	Mono_Isotopic_Weight	475.23587315
95162202	Mono_Isotopic_Weight	342.11621151
53741494	TPSA	9.2
22386270	TPSA	44.3
58550596	XLogP3-AA	0.8
102063093	Defined_Bond_Stereo_Count	0
79003661	Hydrogen_Bond_Donor_Count	1
16667738	Structure_Complexity	552
14353870	TPSA	33.4
12353957	Total_Formal_Charge	0
10155136	XLogP3-AA	3.6
14294904	Covalent_Unit_Count	1
13609	TPSA	0
24848367	Hydrogen_Bond_Acceptor_Count	3
44226825	Rotatable_Bond_Count	5
16109396	Non-hydrogen_Atom_Count	26
667	Hydrogen_Bond_Donor_Count	11
7938	Molecular_Weight	108.14
5281099	Undefined_Bond_Stereo_Count	0
135423792	Isotope_Atom_Count	0
21844441	Defined_Atom_Stereo_Count	0
774	Rotatable_Bond_Count	2
67329	Isotope_Atom_Count	0
8051	Structure_Complexity	66.8
74685	Covalent_Unit_Count	1
14552708	Rotatable_Bond_Count	12
18757559	Defined_Bond_Stereo_Count	0
5323984	Structure_Complexity	118
9861147	Hydrogen_Bond_Donor_Count	1
15633846	Covalent_Unit_Count	1
135436538	Defined_Bond_Stereo_Count	0
72323	Mono_Isotopic_Weight	338.13923312
62960	Defined_Atom_Stereo_Count	2
21873527	Total_Formal_Charge	0
6951563	Defined_Atom_Stereo_Count	0
89175197	Rotatable_Bond_Count	0
104609	Undefined_Bond_Stereo_Count	0
7361	Undefined_Atom_Stereo_Count	0
101874073	Defined_Bond_Stereo_Count	0
611370	TPSA	67.2
119097350	Hydrogen_Bond_Donor_Count	0
435459	Tautomer_Count	1
506152	Total_Formal_Charge	0
398579	Total_Formal_Charge	0
131750287	Hydrogen_Bond_Acceptor_Count	9
17892701	Defined_Atom_Stereo_Count	0
720213	Total_Formal_Charge	0
60060441	Defined_Atom_Stereo_Count	0
24351	Isotope_Atom_Count	0
160435	Hydrogen_Bond_Acceptor_Count	2
3766	XLogP3-AA	5.2
50990393	TPSA	320
17181	Total_Formal_Charge	0
71969	Covalent_Unit_Count	1
87898	Molecular_Weight	223.14
65506	Covalent_Unit_Count	5
13003788	Undefined_Atom_Stereo_Count	5
16258	Exact_Mass	163.026943022
135456190	XLogP3-AA	4.1
6419108	TPSA	58.6
162918	Rotatable_Bond_Count	2
143378061	Undefined_Bond_Stereo_Count	0
5070	Isotope_Atom_Count	0
115071571	Exact_Mass	114.068079557
66171	TPSA	17.8
52914324	Exact_Mass	650.33156444
68030	Undefined_Atom_Stereo_Count	0
1374121	XLogP3-AA	4.3
21805682	Hydrogen_Bond_Acceptor_Count	2
91122567	TPSA	18.5
263077	Rotatable_Bond_Count	2
11396600	Hydrogen_Bond_Donor_Count	2
5282198	Total_Formal_Charge	0
21855	Tautomer_Count	2
156598696	Isotope_Atom_Count	0
138539	Non-hydrogen_Atom_Count	7
9539	Undefined_Atom_Stereo_Count	0
11150163	Undefined_Bond_Stereo_Count	0
77129	Defined_Atom_Stereo_Count	0
21828691	Rotatable_Bond_Count	1
70683717	XLogP3-AA	2.9
84506	Hydrogen_Bond_Acceptor_Count	6
135409438	Tautomer_Count	9
21040078	Hydrogen_Bond_Donor_Count	1
11539235	Rotatable_Bond_Count	6
137240	Hydrogen_Bond_Donor_Count	0
64930	Exact_Mass	639.37711765
57390796	Undefined_Bond_Stereo_Count	0
25199890	Hydrogen_Bond_Acceptor_Count	14
3081	Defined_Bond_Stereo_Count	0
10159630	Undefined_Bond_Stereo_Count	0
77530	Hydrogen_Bond_Donor_Count	0
20056755	Defined_Bond_Stereo_Count	0
14297260	Rotatable_Bond_Count	0
9832750	Molecular_Weight	899.1
123248	Mono_Isotopic_Weight	70.041864811
80376	Covalent_Unit_Count	1
84921	TPSA	20.3
3526	Rotatable_Bond_Count	18
403591	Undefined_Atom_Stereo_Count	0
68847	Molecular_Weight	376.5
10336591	Covalent_Unit_Count	1
69020	Covalent_Unit_Count	1
46937085	Mono_Isotopic_Weight	433.23654186
11095	Covalent_Unit_Count	1
95848	Rotatable_Bond_Count	7
7016	Structure_Complexity	180
19016	Tautomer_Count	1
57089031	Covalent_Unit_Count	1
94973	Hydrogen_Bond_Acceptor_Count	2
136240586	Covalent_Unit_Count	1
5266	Rotatable_Bond_Count	11
8892	Undefined_Bond_Stereo_Count	0
18744	Isotope_Atom_Count	0
44558536	Defined_Bond_Stereo_Count	0
2320	Isotope_Atom_Count	0
197083	Structure_Complexity	481
66071	Mono_Isotopic_Weight	88.100048391
60678	Total_Formal_Charge	0
6437379	Undefined_Atom_Stereo_Count	0
11161534	Hydrogen_Bond_Acceptor_Count	3
129642209	Total_Formal_Charge	0
14079045	Rotatable_Bond_Count	7
56682411	Isotope_Atom_Count	0
514067	Non-hydrogen_Atom_Count	24
123239	Non-hydrogen_Atom_Count	11
20983	Total_Formal_Charge	0
46477	Rotatable_Bond_Count	1
36975	Undefined_Atom_Stereo_Count	1
830713	Defined_Bond_Stereo_Count	0
5684	Hydrogen_Bond_Acceptor_Count	5
15972136	Hydrogen_Bond_Donor_Count	0
23690943	Tautomer_Count	6
60618	Tautomer_Count	1
91053206	Hydrogen_Bond_Donor_Count	5
130659	Hydrogen_Bond_Acceptor_Count	15
46451	TPSA	30.5
53930639	Defined_Bond_Stereo_Count	0
71560661	Non-hydrogen_Atom_Count	18
91751	Defined_Bond_Stereo_Count	0
60967	Covalent_Unit_Count	1
5282349	Exact_Mass	410.318480578
15811016	Mono_Isotopic_Weight	182.018755
96428	Total_Formal_Charge	0
81472	Undefined_Atom_Stereo_Count	0
12278548	Exact_Mass	111.079647300
821	Undefined_Atom_Stereo_Count	24
71517366	Structure_Complexity	1020
23675947	Rotatable_Bond_Count	5
4963	TPSA	143
13792437	Undefined_Atom_Stereo_Count	0
68654	Molecular_Weight	481.4
14897389	Mono_Isotopic_Weight	114.031694049
58714	Defined_Atom_Stereo_Count	0
10464455	Defined_Atom_Stereo_Count	0
10031812	XLogP3-AA	5.1
54610537	Covalent_Unit_Count	2
6950	Structure_Complexity	298
388029	Defined_Bond_Stereo_Count	0
132252	Mono_Isotopic_Weight	383.0820006
6918483	Hydrogen_Bond_Acceptor_Count	5
24860538	Hydrogen_Bond_Acceptor_Count	0
7108	Non-hydrogen_Atom_Count	14
29761	XLogP3	2.8
4224798	Isotope_Atom_Count	0
44565821	TPSA	142
1257	Undefined_Atom_Stereo_Count	2
120081	Mono_Isotopic_Weight	222.06405680
2955894	XLogP3-AA	3.6
93032	Undefined_Bond_Stereo_Count	0
17764882	Molecular_Weight	116.12
46552	Undefined_Atom_Stereo_Count	0
92550	Tautomer_Count	1
13217907	Rotatable_Bond_Count	1
20848883	Mono_Isotopic_Weight	561.0801915
61828	Mono_Isotopic_Weight	239.93012
21401558	Defined_Atom_Stereo_Count	0
91139914	XLogP3-AA	2.7
143403310	Hydrogen_Bond_Donor_Count	2
11951725	Rotatable_Bond_Count	4
18719	Undefined_Atom_Stereo_Count	2
67113727	Isotope_Atom_Count	0
53373584	Total_Formal_Charge	0
123373475	Undefined_Atom_Stereo_Count	3
136059	Hydrogen_Bond_Donor_Count	0
28360672	Structure_Complexity	789
11636	Non-hydrogen_Atom_Count	27
19100324	Hydrogen_Bond_Donor_Count	1
56675696	Exact_Mass	422.12127520
5916968	Rotatable_Bond_Count	13
46930998	Isotope_Atom_Count	0
107428	Molecular_Weight	180.16
129785733	Molecular_Weight	98.10
35754	Mono_Isotopic_Weight	281.08506629
4674	Undefined_Atom_Stereo_Count	0
9950891	Molecular_Weight	363.4
66342	Defined_Atom_Stereo_Count	0
95850	Structure_Complexity	351
123924	XLogP3-AA	4.9
140328	Isotope_Atom_Count	0
73706	Non-hydrogen_Atom_Count	13
164912	Undefined_Atom_Stereo_Count	0
480242	Hydrogen_Bond_Donor_Count	2
24946105	TPSA	108
68841	Tautomer_Count	1
72959169	Molecular_Weight	516.6
5373773	Mono_Isotopic_Weight	250.12050905
15634681	Hydrogen_Bond_Donor_Count	1
20502	Total_Formal_Charge	0
5357479	Hydrogen_Bond_Donor_Count	1
9568069	XLogP3	1
7216	Total_Formal_Charge	0
12409173	Covalent_Unit_Count	1
75227	Defined_Atom_Stereo_Count	0
12319	Isotope_Atom_Count	0
9892540	XLogP3-AA	3.8
702289	Isotope_Atom_Count	0
6435893	XLogP3-AA	7.5
315201	Undefined_Atom_Stereo_Count	2
59791	Undefined_Bond_Stereo_Count	0
5311345	TPSA	78.7
2724290	Undefined_Atom_Stereo_Count	0
65228	Molecular_Weight	495.0
42239	Undefined_Atom_Stereo_Count	0
160458	Rotatable_Bond_Count	0
526739	Hydrogen_Bond_Donor_Count	0
409350	Hydrogen_Bond_Acceptor_Count	4
85557	Total_Formal_Charge	0
3086319	XLogP3-AA	2.6
90472770	Structure_Complexity	151
10145345	Covalent_Unit_Count	1
528856	Rotatable_Bond_Count	6
79885	Undefined_Bond_Stereo_Count	0
136649217	Exact_Mass	690.11624602
493662	TPSA	331
5284597	TPSA	37.3
16669	Non-hydrogen_Atom_Count	14
24916897	Mono_Isotopic_Weight	508.24160744
12302651	Isotope_Atom_Count	0
21501	Hydrogen_Bond_Donor_Count	1
60199634	Isotope_Atom_Count	0
71210615	Covalent_Unit_Count	1
2736145	Hydrogen_Bond_Donor_Count	1
69558	Defined_Atom_Stereo_Count	0
5032	Total_Formal_Charge	0
447377	Covalent_Unit_Count	1
4471892	Covalent_Unit_Count	1
123133975	Non-hydrogen_Atom_Count	57
46916694	Exact_Mass	432.15460314
25144864	Molecular_Weight	1089.3
45358084	Covalent_Unit_Count	2
60155097	Undefined_Bond_Stereo_Count	0
7500	TPSA	0
524410	Covalent_Unit_Count	1
44419240	Hydrogen_Bond_Acceptor_Count	3
11502243	Exact_Mass	401.0877226
28540	Tautomer_Count	3
26710	Undefined_Atom_Stereo_Count	0
6436730	TPSA	319
9850056	Defined_Bond_Stereo_Count	0
3718	Defined_Bond_Stereo_Count	0
141048867	Isotope_Atom_Count	0
10034577	Structure_Complexity	42.8
23679005	Undefined_Bond_Stereo_Count	0
11862	Total_Formal_Charge	0
31472	Rotatable_Bond_Count	13
47714	Exact_Mass	390.28824308
45084984	Molecular_Weight	110.15
24995524	Exact_Mass	430.0437292
117781134	Defined_Atom_Stereo_Count	2
34549	Tautomer_Count	2
132992789	Defined_Atom_Stereo_Count	0
5078	Covalent_Unit_Count	1
142403638	TPSA	44
4092	Structure_Complexity	138
2006	TPSA	121
79051	Mono_Isotopic_Weight	116.094963011
2460	Rotatable_Bond_Count	8
5284363	Isotope_Atom_Count	0
20665999	Undefined_Atom_Stereo_Count	0
15677238	Total_Formal_Charge	0
25209	Covalent_Unit_Count	1
7973	Exact_Mass	156.95271
17014	XLogP3-AA	3
8779	Hydrogen_Bond_Donor_Count	0
141959525	Hydrogen_Bond_Acceptor_Count	1
91902981	Mono_Isotopic_Weight	665.30474055
38019	Total_Formal_Charge	0
6063	Total_Formal_Charge	0
54144657	Defined_Bond_Stereo_Count	0
12523	Undefined_Atom_Stereo_Count	3
9903853	Undefined_Atom_Stereo_Count	0
85554474	Hydrogen_Bond_Donor_Count	2
108147	Non-hydrogen_Atom_Count	59
24987688	XLogP3-AA	3.1
659218	TPSA	80.7
439661	Molecular_Weight	172.23
121207282	Defined_Bond_Stereo_Count	0
159247	Mono_Isotopic_Weight	185.0374194
46782362	Undefined_Atom_Stereo_Count	0
139088080	Non-hydrogen_Atom_Count	21
164912	Defined_Atom_Stereo_Count	0
86233	Covalent_Unit_Count	1
22906680	Hydrogen_Bond_Acceptor_Count	1
54682463	Undefined_Bond_Stereo_Count	0
20055083	Defined_Bond_Stereo_Count	3
28500	Defined_Atom_Stereo_Count	0
9211	TPSA	9.2
11029769	Undefined_Atom_Stereo_Count	0
1289	Undefined_Bond_Stereo_Count	0
154083	Non-hydrogen_Atom_Count	18
66532	Covalent_Unit_Count	1
6505	Total_Formal_Charge	0
9826451	Covalent_Unit_Count	1
57397776	Covalent_Unit_Count	1
94215	Exact_Mass	120.078644241
67000	Defined_Atom_Stereo_Count	0
13908	Rotatable_Bond_Count	0
131709225	Mono_Isotopic_Weight	908.38775915
12417	Mono_Isotopic_Weight	86.073164938
543562	Structure_Complexity	98.3
5281232	Covalent_Unit_Count	1
54025583	TPSA	33
11407412	Hydrogen_Bond_Donor_Count	1
25209	Undefined_Bond_Stereo_Count	1
3748774	Defined_Atom_Stereo_Count	0
5354626	Tautomer_Count	4
2723694	XLogP3-AA	4.2
7203	Undefined_Atom_Stereo_Count	0
156907991	Undefined_Bond_Stereo_Count	0
8809	Hydrogen_Bond_Acceptor_Count	5
71035	Non-hydrogen_Atom_Count	18
5463599	Structure_Complexity	62.1
11227182	Molecular_Weight	597.7
84141	Total_Formal_Charge	0
3081078	Hydrogen_Bond_Acceptor_Count	2
146156428	Defined_Bond_Stereo_Count	0
656604	Mono_Isotopic_Weight	223.03368562
12598	Tautomer_Count	2
25588	Non-hydrogen_Atom_Count	15
39176	Molecular_Weight	114.19
3001	Molecular_Weight	372.5
3045400	XLogP3-AA	3
3641725	Undefined_Bond_Stereo_Count	0
5368396	Tautomer_Count	1
564664	Mono_Isotopic_Weight	108.093900383
65562	Undefined_Atom_Stereo_Count	0
3292	Undefined_Atom_Stereo_Count	1
12375523	Undefined_Bond_Stereo_Count	0
11622909	Undefined_Bond_Stereo_Count	0
14962	Mono_Isotopic_Weight	623.21150888
13594	Hydrogen_Bond_Donor_Count	0
16698	Structure_Complexity	305
22934413	Non-hydrogen_Atom_Count	8
6420038	Rotatable_Bond_Count	7
26710	Defined_Atom_Stereo_Count	0
63260	Rotatable_Bond_Count	4
51387014	Isotope_Atom_Count	0
66714960	Mono_Isotopic_Weight	183.05449518
86088606	Rotatable_Bond_Count	1
36255	Undefined_Bond_Stereo_Count	0
133728	Undefined_Bond_Stereo_Count	0
91420197	TPSA	58.3
6620134	TPSA	94.8
7106	Covalent_Unit_Count	1
444742	Rotatable_Bond_Count	25
10256440	Structure_Complexity	951
44418576	Structure_Complexity	346
65216	Exact_Mass	422.1608497
68316842	Isotope_Atom_Count	0
73162904	Exact_Mass	326.169686
453915	Rotatable_Bond_Count	1
31716	Defined_Atom_Stereo_Count	0
60196363	Covalent_Unit_Count	1
1574	XLogP3-AA	1.4
154132	Mono_Isotopic_Weight	354.0901833
57541295	Defined_Atom_Stereo_Count	2
10240797	TPSA	32.8
75373	Tautomer_Count	1
13316167	Undefined_Bond_Stereo_Count	0
22023476	Total_Formal_Charge	0
11415	Covalent_Unit_Count	1
53315588	Structure_Complexity	1210
638034	Structure_Complexity	596
64937	Defined_Atom_Stereo_Count	0
497100	Structure_Complexity	165
58221868	Undefined_Bond_Stereo_Count	0
272079	Undefined_Atom_Stereo_Count	0
38235	Structure_Complexity	221
77999	Non-hydrogen_Atom_Count	25
11647899	Defined_Bond_Stereo_Count	0
66704605	Exact_Mass	98.073164938
28936	Molecular_Weight	428.1
7812	Defined_Bond_Stereo_Count	0
11829373	Total_Formal_Charge	0
57796	Hydrogen_Bond_Donor_Count	2
740	Covalent_Unit_Count	1
5206	Defined_Bond_Stereo_Count	0
46204403	Structure_Complexity	77
164675904	Hydrogen_Bond_Acceptor_Count	2
175586	Hydrogen_Bond_Acceptor_Count	10
13001072	Isotope_Atom_Count	0
62753	Total_Formal_Charge	0
91026652	Hydrogen_Bond_Acceptor_Count	2
12647151	Covalent_Unit_Count	1
73946427	Defined_Bond_Stereo_Count	2
22928648	Hydrogen_Bond_Donor_Count	1
86830	Total_Formal_Charge	1
2762863	Molecular_Weight	111.12
91231076	Isotope_Atom_Count	0
6497	Rotatable_Bond_Count	2
733511	Non-hydrogen_Atom_Count	24
330	Undefined_Bond_Stereo_Count	0
23286	Isotope_Atom_Count	0
4351	Undefined_Atom_Stereo_Count	0
12907914	Rotatable_Bond_Count	0
18186100	Non-hydrogen_Atom_Count	6
12309464	Total_Formal_Charge	0
19820834	Rotatable_Bond_Count	1
870718	XLogP3-AA	1.4
11020241	Isotope_Atom_Count	0
20061	Defined_Bond_Stereo_Count	0
30971	Isotope_Atom_Count	0
7820	Rotatable_Bond_Count	5
65188	Defined_Atom_Stereo_Count	0
2853	Structure_Complexity	856
22833294	Molecular_Weight	377.3
88283211	Undefined_Bond_Stereo_Count	0
7021	Exact_Mass	238.08412354
160889158	Mono_Isotopic_Weight	113.058911855
3032296	Undefined_Atom_Stereo_Count	0
107775	Undefined_Bond_Stereo_Count	0
21580808	Mono_Isotopic_Weight	273.12728871
20262675	Exact_Mass	112.052429494
595921	Tautomer_Count	1
64862	Undefined_Bond_Stereo_Count	0
62816	Defined_Bond_Stereo_Count	0
21450089	TPSA	9.2
17460	Rotatable_Bond_Count	7
129669846	Structure_Complexity	1330
16950	Rotatable_Bond_Count	10
11285	Total_Formal_Charge	0
2203	Defined_Atom_Stereo_Count	0
476	Hydrogen_Bond_Acceptor_Count	7
57507663	Isotope_Atom_Count	0
4873	Structure_Complexity	2
122517441	Undefined_Bond_Stereo_Count	0
40479707	Exact_Mass	302.17561863
156622209	Mono_Isotopic_Weight	98.048012819
166775	Hydrogen_Bond_Donor_Count	14
11105310	Hydrogen_Bond_Acceptor_Count	1
12420323	Undefined_Bond_Stereo_Count	0
15558640	Covalent_Unit_Count	1
65923	Structure_Complexity	765
10308	TPSA	12
7663	Isotope_Atom_Count	0
7939	TPSA	51.8
68019	Mono_Isotopic_Weight	206.0638410
138059757	Molecular_Weight	430.5
550964	Hydrogen_Bond_Donor_Count	1
53701	Hydrogen_Bond_Acceptor_Count	4
34698	Covalent_Unit_Count	1
54582823	XLogP3-AA	1.5
129627802	Molecular_Weight	843.1
1059	Isotope_Atom_Count	0
3544	Undefined_Bond_Stereo_Count	0
4684505	Exact_Mass	338.08668395
16051947	Non-hydrogen_Atom_Count	56
44629596	Rotatable_Bond_Count	11
7487	Hydrogen_Bond_Donor_Count	0
49858377	Structure_Complexity	566
12933279	TPSA	41.1
79583	Structure_Complexity	283
24257	Hydrogen_Bond_Donor_Count	0
87348	Defined_Bond_Stereo_Count	0
142422	Covalent_Unit_Count	1
44630020	Mono_Isotopic_Weight	497.12580676
60966	Undefined_Bond_Stereo_Count	0
721137	Covalent_Unit_Count	1
13275542	Defined_Atom_Stereo_Count	0
8396	Structure_Complexity	149
637563	Mono_Isotopic_Weight	148.088815002
23128	TPSA	0
59185552	TPSA	37.4
93301	Undefined_Bond_Stereo_Count	0
272079	Defined_Atom_Stereo_Count	0
16722522	Total_Formal_Charge	0
9552077	Isotope_Atom_Count	0
10087661	XLogP3-AA	6.1
15590756	Rotatable_Bond_Count	0
14459508	Total_Formal_Charge	0
135596593	Defined_Atom_Stereo_Count	5
8855	XLogP3-AA	1.6
19927	Non-hydrogen_Atom_Count	7
11794741	Isotope_Atom_Count	0
84339	Covalent_Unit_Count	1
59525132	XLogP3-AA	0.1
59172784	Non-hydrogen_Atom_Count	7
162236685	Defined_Bond_Stereo_Count	0
54376298	Total_Formal_Charge	0
394128	Structure_Complexity	563
20274687	Rotatable_Bond_Count	0
71462510	Non-hydrogen_Atom_Count	28
67314475	TPSA	40.7
27941	Total_Formal_Charge	0
23278715	Exact_Mass	620.35923573
10809678	Isotope_Atom_Count	0
70678916	Undefined_Atom_Stereo_Count	0
17933153	Rotatable_Bond_Count	4
137609	Covalent_Unit_Count	1
5281168	Tautomer_Count	1
736331	Mono_Isotopic_Weight	221.10519334
518900	Undefined_Atom_Stereo_Count	0
108032	Covalent_Unit_Count	1
4570	Hydrogen_Bond_Acceptor_Count	12
13225428	Non-hydrogen_Atom_Count	7
18622350	TPSA	35.3
13740445	TPSA	25.2
59875983	Total_Formal_Charge	0
70783	Isotope_Atom_Count	0
7301	Mono_Isotopic_Weight	86.073164938
12694	Molecular_Weight	127.95
101008927	Exact_Mass	275.188529040
139323923	Hydrogen_Bond_Donor_Count	5
18722856	Structure_Complexity	106
16760139	TPSA	92.4
4513	Defined_Atom_Stereo_Count	0
2484	XLogP3	6.3
69932654	Defined_Bond_Stereo_Count	0
15461361	Defined_Bond_Stereo_Count	2
64502	Tautomer_Count	1
11115995	Covalent_Unit_Count	1
18471709	Rotatable_Bond_Count	3
87714328	Undefined_Atom_Stereo_Count	1
44126033	TPSA	106
1449	Hydrogen_Bond_Donor_Count	1
15202861	Rotatable_Bond_Count	1
91475	Exact_Mass	334.25079494
642623	Undefined_Bond_Stereo_Count	0
31953	Total_Formal_Charge	0
71382907	Structure_Complexity	131
321436	Total_Formal_Charge	0
16058317	Non-hydrogen_Atom_Count	91
60569	Covalent_Unit_Count	2
67497	Mono_Isotopic_Weight	184.03467143
12002774	Total_Formal_Charge	0
9961434	Rotatable_Bond_Count	27
54682930	Molecular_Weight	162.14
5222844	Hydrogen_Bond_Donor_Count	1
22836366	Exact_Mass	181.06966484
22198	Structure_Complexity	55.5
119435	XLogP3	3.4
13632	Isotope_Atom_Count	0
17178037	XLogP3-AA	0.1
20712539	Total_Formal_Charge	0
139589209	Covalent_Unit_Count	1
52922056	Total_Formal_Charge	0
15942892	TPSA	156
2215	Rotatable_Bond_Count	0
2724372	Exact_Mass	294.173213330
69341308	Hydrogen_Bond_Acceptor_Count	2
299	Structure_Complexity	631
155804760	Covalent_Unit_Count	1
19100566	TPSA	32.3
12236939	Structure_Complexity	74.1
9615347	Rotatable_Bond_Count	10
12295187	Covalent_Unit_Count	1
82322	Molecular_Weight	117.15
118499237	Undefined_Atom_Stereo_Count	0
8159	Tautomer_Count	1
4060	XLogP3-AA	1.5
68704	Covalent_Unit_Count	1
25195346	Hydrogen_Bond_Donor_Count	3
10867835	Exact_Mass	221.09292838
49865863	Covalent_Unit_Count	1
71343993	Structure_Complexity	79.8
153386860	Molecular_Weight	110.15
941651	Undefined_Atom_Stereo_Count	0
55300430	Structure_Complexity	155
15983549	Mono_Isotopic_Weight	454.22162007
66898	Exact_Mass	207.09291458
470375	Undefined_Bond_Stereo_Count	0
441073	XLogP3	2.9
166918	TPSA	6
91442807	Isotope_Atom_Count	0
46902102	Covalent_Unit_Count	2
5460797	Exact_Mass	118.050418117
45484851	Hydrogen_Bond_Acceptor_Count	3
5636	Hydrogen_Bond_Acceptor_Count	5
9787	Structure_Complexity	1350
9956119	Undefined_Bond_Stereo_Count	0
135564980	XLogP3-AA	3.6
440967	Hydrogen_Bond_Donor_Count	0
142772	Non-hydrogen_Atom_Count	32
12081	Isotope_Atom_Count	0
834519	Rotatable_Bond_Count	6
34001	Non-hydrogen_Atom_Count	23
117979204	Undefined_Atom_Stereo_Count	2
107275	Defined_Bond_Stereo_Count	0
6326719	Structure_Complexity	1940
7216	Hydrogen_Bond_Donor_Count	0
7628	Isotope_Atom_Count	0
1549789	Non-hydrogen_Atom_Count	18
801471	Undefined_Atom_Stereo_Count	0
141466486	Total_Formal_Charge	0
175988	Tautomer_Count	1
138125	Covalent_Unit_Count	1
6299	Mono_Isotopic_Weight	404.413049667
45934310	Defined_Atom_Stereo_Count	4
11449	Isotope_Atom_Count	0
76013	Undefined_Atom_Stereo_Count	0
18527351	Undefined_Bond_Stereo_Count	0
32281	Defined_Bond_Stereo_Count	0
55288485	Defined_Bond_Stereo_Count	0
7119	Defined_Atom_Stereo_Count	0
58070804	Hydrogen_Bond_Acceptor_Count	6
91302105	XLogP3-AA	0.3
133109198	Mono_Isotopic_Weight	748.50852574
135565589	Defined_Atom_Stereo_Count	4
6278	Isotope_Atom_Count	0
165363121	Hydrogen_Bond_Donor_Count	0
79314	Hydrogen_Bond_Acceptor_Count	3
163488608	Structure_Complexity	113
124247	Exact_Mass	209.10519334
222714	Undefined_Atom_Stereo_Count	1
40428945	Undefined_Bond_Stereo_Count	0
2341	Tautomer_Count	1
168908	Hydrogen_Bond_Acceptor_Count	6
70023156	Undefined_Atom_Stereo_Count	1
137704662	Mono_Isotopic_Weight	528.21078060
26956	Defined_Atom_Stereo_Count	5
5357696	Mono_Isotopic_Weight	84.91178974
52230	Non-hydrogen_Atom_Count	21
40846579	Hydrogen_Bond_Donor_Count	2
441336	Tautomer_Count	6
4497	Undefined_Atom_Stereo_Count	1
6434622	Total_Formal_Charge	0
10220256	Hydrogen_Bond_Acceptor_Count	3
21798491	Mono_Isotopic_Weight	114.079312947
44809	Covalent_Unit_Count	3
7982	Undefined_Atom_Stereo_Count	0
5366074	Molecular_Weight	190.28
6327580	Undefined_Atom_Stereo_Count	0
91759533	Covalent_Unit_Count	1
10409	Hydrogen_Bond_Acceptor_Count	1
25023856	Non-hydrogen_Atom_Count	34
6438373	Isotope_Atom_Count	0
1871	Mono_Isotopic_Weight	175.026943022
6919078	Molecular_Weight	171.24
4763	Undefined_Bond_Stereo_Count	0
40839	Mono_Isotopic_Weight	753.41014911
11278075	Rotatable_Bond_Count	0
2729	Defined_Bond_Stereo_Count	0
129688356	Total_Formal_Charge	0
13317841	Molecular_Weight	112.13
8555	Total_Formal_Charge	0
9869776	Isotope_Atom_Count	0
31348	Hydrogen_Bond_Acceptor_Count	7
71800	Isotope_Atom_Count	1
1362	Isotope_Atom_Count	0
9233	Undefined_Atom_Stereo_Count	0
10975405	Molecular_Weight	85.10
529279	XLogP3-AA	3.3
522007	XLogP3-AA	1.8
41663	Rotatable_Bond_Count	1
40813	Undefined_Atom_Stereo_Count	0
166572	XLogP3	2.1
11083832	Mono_Isotopic_Weight	96.032362755
60753	Hydrogen_Bond_Donor_Count	2
20192394	Non-hydrogen_Atom_Count	13
5281794	Defined_Bond_Stereo_Count	1
71740	Non-hydrogen_Atom_Count	26
68809	Tautomer_Count	1
6436158	Covalent_Unit_Count	1
157429	Hydrogen_Bond_Acceptor_Count	13
5486209	Molecular_Weight	197.24
16362	Mono_Isotopic_Weight	461.22786888
23670844	Total_Formal_Charge	0
18626415	Exact_Mass	102.068079557
10171487	TPSA	73.4
535504	XLogP3-AA	0.2
11416	Hydrogen_Bond_Donor_Count	0
53983207	Isotope_Atom_Count	0
154478098	Defined_Bond_Stereo_Count	0
6141	Defined_Bond_Stereo_Count	0
6093170	Hydrogen_Bond_Donor_Count	0
24532	Undefined_Bond_Stereo_Count	0
78383862	Defined_Atom_Stereo_Count	0
16021	Isotope_Atom_Count	0
19676	Isotope_Atom_Count	0
5464343	Defined_Bond_Stereo_Count	0
717663	Undefined_Bond_Stereo_Count	1
139584100	Non-hydrogen_Atom_Count	92
101755686	Exact_Mass	977.52483213
42602260	Non-hydrogen_Atom_Count	30
3724921	Mono_Isotopic_Weight	114.104465066
39164	Structure_Complexity	337
53956489	Non-hydrogen_Atom_Count	7
7306	Defined_Bond_Stereo_Count	0
441477	Molecular_Weight	179.17
72187569	Structure_Complexity	557
145325785	Covalent_Unit_Count	1
6400264	Rotatable_Bond_Count	1
55917	Mono_Isotopic_Weight	276.0777887
54684141	Total_Formal_Charge	0
9971980	Covalent_Unit_Count	2
54258707	Isotope_Atom_Count	0
6439522	Defined_Bond_Stereo_Count	1
131724228	Non-hydrogen_Atom_Count	92
123292394	Hydrogen_Bond_Donor_Count	1
208923	Covalent_Unit_Count	1
28506	Structure_Complexity	328
20563296	Defined_Atom_Stereo_Count	0
406793	Molecular_Weight	527.6
24176	Total_Formal_Charge	0
72207931	Undefined_Atom_Stereo_Count	1
5723	Hydrogen_Bond_Acceptor_Count	6
91566861	Hydrogen_Bond_Acceptor_Count	0
13693091	Exact_Mass	112.088815002
135542454	Non-hydrogen_Atom_Count	25
5312122	XLogP3-AA	4.5
482604	Covalent_Unit_Count	1
138669688	Exact_Mass	764.3738198
12702016	Rotatable_Bond_Count	2
62731702	Rotatable_Bond_Count	1
6341	Isotope_Atom_Count	0
54584708	Molecular_Weight	430.4
6481	Covalent_Unit_Count	1
636402	Rotatable_Bond_Count	4
46835136	Hydrogen_Bond_Donor_Count	1
166796	Mono_Isotopic_Weight	414.03275590
9954083	Rotatable_Bond_Count	6
33184	Defined_Bond_Stereo_Count	0
170254	Defined_Bond_Stereo_Count	0
13200773	Defined_Atom_Stereo_Count	0
70694392	Rotatable_Bond_Count	5
3001662	Non-hydrogen_Atom_Count	30
20041648	XLogP3-AA	0.4
36255	Undefined_Atom_Stereo_Count	0
10331	Isotope_Atom_Count	0
66105	Molecular_Weight	354.4
107377	XLogP3-AA	4.5
22477643	Non-hydrogen_Atom_Count	8
3400822	Covalent_Unit_Count	1
90078292	Isotope_Atom_Count	0
53956290	XLogP3-AA	3
377	Hydrogen_Bond_Donor_Count	6
2159	Molecular_Weight	369.5
15148131	Defined_Bond_Stereo_Count	0
638759	Defined_Atom_Stereo_Count	0
60503	Defined_Bond_Stereo_Count	0
46783763	Tautomer_Count	2
24872560	Isotope_Atom_Count	0
57396607	Defined_Atom_Stereo_Count	0
93074	Covalent_Unit_Count	1
446596	Rotatable_Bond_Count	17
20219	Rotatable_Bond_Count	9
56629862	Molecular_Weight	101.15
15442732	Covalent_Unit_Count	1
13314	Non-hydrogen_Atom_Count	22
164486	Structure_Complexity	248
66646	Tautomer_Count	4
5216	TPSA	62.7
12285889	TPSA	110
91016264	Structure_Complexity	173
61489	Hydrogen_Bond_Acceptor_Count	8
5909	Exact_Mass	244.0978555
2724259	Exact_Mass	1122.78526064
42552739	Defined_Atom_Stereo_Count	10
162291	Molecular_Weight	623.0
56	Undefined_Bond_Stereo_Count	8
5308	XLogP3-AA	3.1
57397461	Molecular_Weight	409.9
101333850	Non-hydrogen_Atom_Count	10
6838	Non-hydrogen_Atom_Count	15
11741	Defined_Atom_Stereo_Count	0
431668	Hydrogen_Bond_Donor_Count	2
2490	Rotatable_Bond_Count	7
24533	Structure_Complexity	2
9162	Total_Formal_Charge	0
163594	Undefined_Bond_Stereo_Count	0
3779	Hydrogen_Bond_Acceptor_Count	4
122639	Rotatable_Bond_Count	33
88423	XLogP3	3.2
3406	Hydrogen_Bond_Acceptor_Count	1
56149	Covalent_Unit_Count	1
21307	Defined_Atom_Stereo_Count	0
83075	Undefined_Bond_Stereo_Count	0
9794203	Total_Formal_Charge	0
146158553	Defined_Atom_Stereo_Count	1
16072219	TPSA	173
2724159	Mono_Isotopic_Weight	150.104465066
11966124	Total_Formal_Charge	0
53909396	Mono_Isotopic_Weight	88.052429494
37250	Molecular_Weight	360.9
10931233	Mono_Isotopic_Weight	1197.20932
95229	Defined_Bond_Stereo_Count	0
129891	TPSA	37.3
12309464	Hydrogen_Bond_Donor_Count	0
18999023	Hydrogen_Bond_Donor_Count	1
9568628	Molecular_Weight	327.5
70647795	Hydrogen_Bond_Acceptor_Count	1
8485	TPSA	62.8
148401	Structure_Complexity	34.8
61680	TPSA	63.2
57131110	Structure_Complexity	179
130525028	Covalent_Unit_Count	1
39985	Structure_Complexity	358
9371	Defined_Bond_Stereo_Count	0
4339626	Isotope_Atom_Count	0
442021	Exact_Mass	394.18925731
23378249	TPSA	47.9
17887248	Hydrogen_Bond_Donor_Count	2
538774	Defined_Atom_Stereo_Count	0
66662059	Molecular_Weight	467.5
54685047	Defined_Atom_Stereo_Count	5
60150204	Defined_Bond_Stereo_Count	0
20943	Undefined_Atom_Stereo_Count	3
22222161	XLogP3-AA	0.5
23665765	Defined_Bond_Stereo_Count	0
73330464	Hydrogen_Bond_Acceptor_Count	6
93193	Tautomer_Count	1
24434	Molecular_Weight	101.103
135398733	Defined_Atom_Stereo_Count	0
6441082	Tautomer_Count	2
11751549	Undefined_Bond_Stereo_Count	0
44144429	TPSA	154
83247	Defined_Atom_Stereo_Count	0
25132613	TPSA	77.9
56924536	Exact_Mass	309.921259
9547222	Exact_Mass	270.161979940
4953	Mono_Isotopic_Weight	334.21440943
54582078	Mono_Isotopic_Weight	359.13150553
3033972	Molecular_Weight	257.86
2212	Rotatable_Bond_Count	11
13587	TPSA	13.1
476	Non-hydrogen_Atom_Count	14
578771	Total_Formal_Charge	0
8918	Non-hydrogen_Atom_Count	13
3180466	Exact_Mass	468.21614077
8276	Undefined_Atom_Stereo_Count	0
23263244	Molecular_Weight	112.13
9889823	Hydrogen_Bond_Donor_Count	2
57095141	TPSA	21.3
171284	Exact_Mass	582.20608914
19078651	Hydrogen_Bond_Donor_Count	1
10898675	Covalent_Unit_Count	1
34001	Mono_Isotopic_Weight	341.1393859
74888	Mono_Isotopic_Weight	473.91501
11158353	Non-hydrogen_Atom_Count	26
96281	Hydrogen_Bond_Acceptor_Count	4
67513158	Hydrogen_Bond_Acceptor_Count	2
11550005	Isotope_Atom_Count	0
6588	XLogP3-AA	3.6
14818447	Rotatable_Bond_Count	0
688009	Isotope_Atom_Count	0
14060968	XLogP3-AA	0
60150535	Hydrogen_Bond_Acceptor_Count	6
3000605	Undefined_Bond_Stereo_Count	0
10688007	Hydrogen_Bond_Acceptor_Count	4
5288382	Defined_Atom_Stereo_Count	6
42807	Isotope_Atom_Count	0
20678	Isotope_Atom_Count	0
91506	Structure_Complexity	1610
13698	Structure_Complexity	207
8575	Mono_Isotopic_Weight	222.08920892
12209481	XLogP3-AA	1.2
5437	Total_Formal_Charge	0
89374436	Mono_Isotopic_Weight	110.036779430
23270069	Covalent_Unit_Count	1
5811	Undefined_Atom_Stereo_Count	0
12358803	Rotatable_Bond_Count	10
11185559	XLogP3-AA	4.4
31247	TPSA	26.3
598696	Defined_Atom_Stereo_Count	0
12428017	Undefined_Bond_Stereo_Count	0
21777	Total_Formal_Charge	0
11578610	XLogP3-AA	3.9
1047	Defined_Atom_Stereo_Count	0
107771	TPSA	73.8
11701820	Undefined_Bond_Stereo_Count	0
72221005	Exact_Mass	95.048347172
613	Molecular_Weight	867.6
12096747	Mono_Isotopic_Weight	655.41562841
96302	Covalent_Unit_Count	1
14235	Undefined_Bond_Stereo_Count	0
72200931	Isotope_Atom_Count	0
5462501	Hydrogen_Bond_Acceptor_Count	6
12754185	Mono_Isotopic_Weight	111.104799419
54216748	Rotatable_Bond_Count	2
4136	Structure_Complexity	129
6432061	Hydrogen_Bond_Acceptor_Count	0
123744867	TPSA	27.1
13610389	Non-hydrogen_Atom_Count	7
12613	XLogP3-AA	3.1
26644345	Covalent_Unit_Count	1
134694358	Isotope_Atom_Count	0
70694805	XLogP3-AA	0.6
23378923	Undefined_Bond_Stereo_Count	0
18928374	Structure_Complexity	94
192160	Mono_Isotopic_Weight	342.21949481
68802	Defined_Atom_Stereo_Count	0
60025	Undefined_Atom_Stereo_Count	0
71679410	Exact_Mass	419.34787550
15301081	Defined_Bond_Stereo_Count	0
12441598	Mono_Isotopic_Weight	116.083729621
13848133	Rotatable_Bond_Count	1
129009964	Isotope_Atom_Count	0
5281614	Covalent_Unit_Count	1
9793714	Defined_Bond_Stereo_Count	0
151726	Mono_Isotopic_Weight	125.047678466
2117002	Isotope_Atom_Count	0
123358	Structure_Complexity	208
71555	Rotatable_Bond_Count	4
391144	Non-hydrogen_Atom_Count	36
443936	Defined_Atom_Stereo_Count	8
71755913	Hydrogen_Bond_Acceptor_Count	3
70070	Exact_Mass	411.92994806
22246713	Non-hydrogen_Atom_Count	8
9936746	Exact_Mass	491.1182738
145627882	Non-hydrogen_Atom_Count	8
6674	Mono_Isotopic_Weight	402.24062418
53892222	Hydrogen_Bond_Acceptor_Count	5
10532551	Exact_Mass	678.26494143
146472812	XLogP3-AA	4.4
38878	Undefined_Bond_Stereo_Count	0
13083763	Rotatable_Bond_Count	1
10778228	Hydrogen_Bond_Donor_Count	3
2734167	Exact_Mass	188.1080262
58420421	Defined_Bond_Stereo_Count	0
44644	Tautomer_Count	1
15983966	Covalent_Unit_Count	1
43095	Molecular_Weight	258.36
14484	Tautomer_Count	2
6440176	Undefined_Bond_Stereo_Count	0
185792	Exact_Mass	121.971284
163156	Hydrogen_Bond_Donor_Count	3
8368	Isotope_Atom_Count	0
57401427	Hydrogen_Bond_Acceptor_Count	5
21938314	Defined_Bond_Stereo_Count	0
12599704	Exact_Mass	102.068079557
68953	Mono_Isotopic_Weight	299.97859
545963	Isotope_Atom_Count	0
6918141	Covalent_Unit_Count	1
439177	Defined_Bond_Stereo_Count	0
10038849	Hydrogen_Bond_Donor_Count	1
11761584	Covalent_Unit_Count	1
10633	Hydrogen_Bond_Acceptor_Count	2
73101855	Isotope_Atom_Count	0
228	Mono_Isotopic_Weight	427.01989983
471	Molecular_Weight	304.25
12709580	Structure_Complexity	112
16217359	Rotatable_Bond_Count	0
31952	Non-hydrogen_Atom_Count	12
5648	Undefined_Atom_Stereo_Count	2
90628	Exact_Mass	332.152604
14069	Covalent_Unit_Count	1
13042808	Non-hydrogen_Atom_Count	7
24848235	Undefined_Bond_Stereo_Count	0
16224456	Mono_Isotopic_Weight	609.26612791
10248	Rotatable_Bond_Count	5
56673689	Covalent_Unit_Count	1
55287301	TPSA	12
8737	Exact_Mass	183.0298355
9577585	Isotope_Atom_Count	0
10373	Hydrogen_Bond_Acceptor_Count	3
12632903	Structure_Complexity	67.3
3731	Defined_Bond_Stereo_Count	0
16698	Undefined_Bond_Stereo_Count	0
15747657	TPSA	99.6
659840	TPSA	23.5
3335	Structure_Complexity	310
23616254	Total_Formal_Charge	0
36832	Defined_Atom_Stereo_Count	0
5460221	Structure_Complexity	228
57927	Defined_Bond_Stereo_Count	0
84130	Defined_Bond_Stereo_Count	0
11363176	Structure_Complexity	674
86209	Tautomer_Count	2
140143509	Non-hydrogen_Atom_Count	7
894278	Undefined_Bond_Stereo_Count	0
26731	Hydrogen_Bond_Acceptor_Count	2
49800054	XLogP3	3.4
11347670	Undefined_Bond_Stereo_Count	0
23615408	Defined_Bond_Stereo_Count	0
92270	Defined_Bond_Stereo_Count	0
89976630	Exact_Mass	107.037113783
66383	Rotatable_Bond_Count	12
700489	TPSA	74.9
4369414	Non-hydrogen_Atom_Count	27
445785	Undefined_Bond_Stereo_Count	0
6435500	Hydrogen_Bond_Acceptor_Count	7
53290	Undefined_Atom_Stereo_Count	0
139692	TPSA	0
16217535	Hydrogen_Bond_Donor_Count	8
87962	Molecular_Weight	205.30
84883	Hydrogen_Bond_Donor_Count	0
5460819	Total_Formal_Charge	1
527633	XLogP3	1
6400	Tautomer_Count	1
10452	Undefined_Atom_Stereo_Count	0
135410875	Exact_Mass	427.14918341
88534608	Non-hydrogen_Atom_Count	8
10975417	Molecular_Weight	99.17
6537488	Total_Formal_Charge	0
13034799	Exact_Mass	98.048012819
156591873	Undefined_Atom_Stereo_Count	6
67233382	Exact_Mass	367.12560926
69484	TPSA	43.4
855860	Defined_Bond_Stereo_Count	0
226057	Covalent_Unit_Count	1
652	Tautomer_Count	1
135418174	Defined_Bond_Stereo_Count	0
1204288	Tautomer_Count	3
156212	Hydrogen_Bond_Donor_Count	0
147873	Mono_Isotopic_Weight	240.10111102
74431	Exact_Mass	269.177964357
19851301	Undefined_Atom_Stereo_Count	0
40428945	Undefined_Atom_Stereo_Count	0
129319344	Exact_Mass	1098.63148185
101815861	Defined_Atom_Stereo_Count	0
9025	TPSA	18.5
70106	TPSA	17.1
11504295	Exact_Mass	386.18417193
89332529	Exact_Mass	180.06338810
397053	XLogP3-AA	4.5
253	Covalent_Unit_Count	1
11574638	TPSA	53.1
4115	Molecular_Weight	345.6
25912	Total_Formal_Charge	0
529448	Defined_Bond_Stereo_Count	0
5282459	Hydrogen_Bond_Donor_Count	0
3033017	XLogP3	2.9
574808	Isotope_Atom_Count	0
87402170	Rotatable_Bond_Count	2
79535	TPSA	20.2
14143179	XLogP3-AA	0.5
10493	Molecular_Weight	548.7
59269371	Exact_Mass	112.052429494
156212	Defined_Bond_Stereo_Count	0
10991161	Undefined_Atom_Stereo_Count	0
11083834	Structure_Complexity	76.1
18769664	Defined_Bond_Stereo_Count	0
138125	Undefined_Atom_Stereo_Count	1
127757	Undefined_Atom_Stereo_Count	0
17412	Covalent_Unit_Count	1
41733	Covalent_Unit_Count	2
60822	Tautomer_Count	3
16113206	Hydrogen_Bond_Donor_Count	1
16224	Hydrogen_Bond_Acceptor_Count	1
13207	Total_Formal_Charge	0
60044069	Undefined_Bond_Stereo_Count	0
13974331	Exact_Mass	112.052429494
77676	TPSA	51.8
82693	Undefined_Bond_Stereo_Count	0
33341	Isotope_Atom_Count	0
9898827	Structure_Complexity	144
15558642	Molecular_Weight	177.22
839431	Isotope_Atom_Count	0
66537	Defined_Bond_Stereo_Count	0
168928	Structure_Complexity	878
852344	Covalent_Unit_Count	1
56841936	Tautomer_Count	1
17820196	Defined_Atom_Stereo_Count	0
39622	Structure_Complexity	529
198068	Hydrogen_Bond_Donor_Count	0
163988282	Rotatable_Bond_Count	1
449101	Exact_Mass	149.06880783
23566493	Rotatable_Bond_Count	0
65730	Isotope_Atom_Count	0
10767	Hydrogen_Bond_Donor_Count	0
42395	Undefined_Bond_Stereo_Count	0
54688	Structure_Complexity	1190
66320	Defined_Bond_Stereo_Count	0
18956015	Rotatable_Bond_Count	0
12734620	Undefined_Bond_Stereo_Count	0
68343	Mono_Isotopic_Weight	200.0174972
54502555	Rotatable_Bond_Count	2
46174110	Covalent_Unit_Count	2
93083	Rotatable_Bond_Count	1
44521023	Defined_Bond_Stereo_Count	0
8366	Undefined_Atom_Stereo_Count	1
679386	XLogP3-AA	1.8
33191	Exact_Mass	176.120115130
71795	Mono_Isotopic_Weight	324.183778013
5289514	XLogP3-AA	4.2
58391580	Undefined_Atom_Stereo_Count	6
20426877	Isotope_Atom_Count	0
688145	TPSA	29.1
589314	Undefined_Bond_Stereo_Count	0
24946456	Non-hydrogen_Atom_Count	30
91575456	Non-hydrogen_Atom_Count	7
44284481	Hydrogen_Bond_Donor_Count	32
4345	Molecular_Weight	361.5
45051637	Structure_Complexity	19.1
12434511	Hydrogen_Bond_Acceptor_Count	2
57057991	Molecular_Weight	116.11
22889103	Non-hydrogen_Atom_Count	7
20307232	Structure_Complexity	186
23995	Rotatable_Bond_Count	0
41428	Undefined_Bond_Stereo_Count	0
11366997	Hydrogen_Bond_Donor_Count	1
6918286	Non-hydrogen_Atom_Count	26
58463204	Undefined_Atom_Stereo_Count	2
21453	Defined_Atom_Stereo_Count	0
76971015	Non-hydrogen_Atom_Count	36
14013	Structure_Complexity	24.8
123631	Structure_Complexity	545
779179	Hydrogen_Bond_Acceptor_Count	5
44267026	Structure_Complexity	177
637552	Total_Formal_Charge	0
93563	Tautomer_Count	1
135423095	Non-hydrogen_Atom_Count	28
6576	Covalent_Unit_Count	1
27368	Non-hydrogen_Atom_Count	19
158693	Undefined_Bond_Stereo_Count	0
65108	Defined_Atom_Stereo_Count	0
5282340	Defined_Bond_Stereo_Count	0
28230148	TPSA	93.2
6902	Molecular_Weight	150.13
110823	TPSA	44.5
9844225	Mono_Isotopic_Weight	405.1343006
17563	Tautomer_Count	2
16760374	Exact_Mass	636.12921216
43580	Isotope_Atom_Count	0
59876594	Isotope_Atom_Count	0
20644245	Non-hydrogen_Atom_Count	7
5280633	Covalent_Unit_Count	1
9861	Exact_Mass	288.28284396
9999	XLogP3	0.1
62341	Defined_Atom_Stereo_Count	0
20770532	Mono_Isotopic_Weight	111.068413911
87635503	Non-hydrogen_Atom_Count	7
124655	XLogP3-AA	1.6
17473	Molecular_Weight	580.28
15633846	Undefined_Atom_Stereo_Count	1
134820051	Undefined_Bond_Stereo_Count	0
3899	Undefined_Bond_Stereo_Count	0
12036417	Rotatable_Bond_Count	0
101882533	Structure_Complexity	735
12965	Structure_Complexity	68.5
82650924	Undefined_Bond_Stereo_Count	0
19239	Covalent_Unit_Count	1
60503	Rotatable_Bond_Count	5
9919910	Structure_Complexity	2080
88959077	Exact_Mass	113.047678466
54459901	Hydrogen_Bond_Acceptor_Count	2
15560527	Hydrogen_Bond_Acceptor_Count	4
77314	Hydrogen_Bond_Donor_Count	0
60496	Rotatable_Bond_Count	11
9219	TPSA	28.7
126968609	Hydrogen_Bond_Acceptor_Count	5
165653078	Covalent_Unit_Count	1
136114017	Structure_Complexity	952
127053480	Isotope_Atom_Count	0
164513337	Hydrogen_Bond_Acceptor_Count	6
5488631	Hydrogen_Bond_Acceptor_Count	2
50857	Exact_Mass	180.126263138
15448	XLogP3	4.5
35784	Defined_Atom_Stereo_Count	0
16667743	TPSA	128
486543	Exact_Mass	589.32239674
135474265	Defined_Bond_Stereo_Count	0
5327073	Rotatable_Bond_Count	11
521993	XLogP3-AA	0.5
2757748	Structure_Complexity	104
36273	Mono_Isotopic_Weight	325.14601278
1923	Hydrogen_Bond_Donor_Count	1
3085416	Undefined_Bond_Stereo_Count	3
5282230	Exact_Mass	327.11067264
701	Undefined_Atom_Stereo_Count	1
5360696	Undefined_Bond_Stereo_Count	0
443879	Undefined_Atom_Stereo_Count	0
122903	Molecular_Weight	168.15
12302653	Mono_Isotopic_Weight	342.11621151
139590844	Defined_Bond_Stereo_Count	0
5364448	Isotope_Atom_Count	0
16122612	TPSA	17
79014	Hydrogen_Bond_Acceptor_Count	3
71148	Non-hydrogen_Atom_Count	28
9954739	Total_Formal_Charge	0
85925	Molecular_Weight	142.28
22523	Defined_Bond_Stereo_Count	0
5879	Structure_Complexity	459
13375090	Isotope_Atom_Count	0
52165	TPSA	74.8
6295	Isotope_Atom_Count	0
33613	Covalent_Unit_Count	1
54586288	Undefined_Atom_Stereo_Count	0
444614	Non-hydrogen_Atom_Count	25
102730	Rotatable_Bond_Count	2
107502	Hydrogen_Bond_Donor_Count	3
13400657	Non-hydrogen_Atom_Count	7
23667299	Hydrogen_Bond_Donor_Count	3
40846	Undefined_Bond_Stereo_Count	0
12162479	Non-hydrogen_Atom_Count	11
11634725	Molecular_Weight	500.3
5378015	Rotatable_Bond_Count	2
151193	Mono_Isotopic_Weight	464.1251329
21962683	TPSA	0
6651	Structure_Complexity	155
1570	Defined_Bond_Stereo_Count	0
7710	Defined_Atom_Stereo_Count	0
5324720	Undefined_Atom_Stereo_Count	0
39546	Isotope_Atom_Count	0
150748	Undefined_Atom_Stereo_Count	2
6365	Hydrogen_Bond_Acceptor_Count	0
16760207	Structure_Complexity	361
67979346	TPSA	72.9
2674	Rotatable_Bond_Count	6
13398	Hydrogen_Bond_Donor_Count	0
2950	Undefined_Bond_Stereo_Count	0
60335	Molecular_Weight	262.43
19176	Isotope_Atom_Count	0
9795547	Non-hydrogen_Atom_Count	20
10953453	Defined_Atom_Stereo_Count	0
9548590	Structure_Complexity	600
54086435	Hydrogen_Bond_Donor_Count	4
398595	Mono_Isotopic_Weight	321.17796
38989055	Isotope_Atom_Count	0
84986	Molecular_Weight	210.68
46783063	Covalent_Unit_Count	2
11819049	Mono_Isotopic_Weight	100.088815002
20256	Defined_Bond_Stereo_Count	0
48889	Hydrogen_Bond_Donor_Count	0
10930	TPSA	43.1
16218739	Undefined_Bond_Stereo_Count	0
6527	Rotatable_Bond_Count	6
3037161	Rotatable_Bond_Count	5
14440442	Exact_Mass	100.03851076
15691707	Non-hydrogen_Atom_Count	7
69109362	Exact_Mass	101.047678466
47318	TPSA	109
102242	Tautomer_Count	2
6538996	Defined_Bond_Stereo_Count	0
24901143	Undefined_Bond_Stereo_Count	0
440623	Molecular_Weight	286.4
17179	Mono_Isotopic_Weight	332.1583747
15981292	Defined_Bond_Stereo_Count	0
7274	Hydrogen_Bond_Acceptor_Count	2
64421	Defined_Bond_Stereo_Count	0
91063960	Rotatable_Bond_Count	1
66616	Hydrogen_Bond_Acceptor_Count	3
5080759	Mono_Isotopic_Weight	230.094294304
10462	Rotatable_Bond_Count	3
87439	Total_Formal_Charge	0
348554	Rotatable_Bond_Count	0
83859	Molecular_Weight	439.0
15566624	Structure_Complexity	100
67548	Tautomer_Count	1
53999929	Molecular_Weight	113.07
67419859	Rotatable_Bond_Count	11
15110004	Rotatable_Bond_Count	4
54539493	Structure_Complexity	115
38989055	Hydrogen_Bond_Donor_Count	0
101059324	Hydrogen_Bond_Donor_Count	0
118540789	Hydrogen_Bond_Donor_Count	1
339496	Undefined_Bond_Stereo_Count	0
4369524	Mono_Isotopic_Weight	297.09358328
57395184	Mono_Isotopic_Weight	671.2021192
133698931	Hydrogen_Bond_Acceptor_Count	23
93079	Hydrogen_Bond_Donor_Count	0
12497	Defined_Atom_Stereo_Count	0
35455	Undefined_Bond_Stereo_Count	0
5128450	Defined_Atom_Stereo_Count	0
53835394	Non-hydrogen_Atom_Count	8
2568	Hydrogen_Bond_Acceptor_Count	4
12087	Total_Formal_Charge	0
1043	Exact_Mass	132.043596145
67233382	Rotatable_Bond_Count	3
132862	Structure_Complexity	193
48	Molecular_Weight	145.11
84759	Non-hydrogen_Atom_Count	11
11776	Undefined_Bond_Stereo_Count	0
24654	Exact_Mass	50.048012819
12367843	Rotatable_Bond_Count	0
13220	Covalent_Unit_Count	1
12601908	Non-hydrogen_Atom_Count	7
11977	XLogP3-AA	0.6
22866	Covalent_Unit_Count	3
91746164	Mono_Isotopic_Weight	559.07167442
29934831	Isotope_Atom_Count	0
23724965	TPSA	136
93186	Structure_Complexity	136
73697	Mono_Isotopic_Weight	204.043596145
89398913	Non-hydrogen_Atom_Count	10
130659	Undefined_Atom_Stereo_Count	0
1551553	Undefined_Bond_Stereo_Count	0
56665390	Molecular_Weight	418.5
20326	Non-hydrogen_Atom_Count	23
12408077	Covalent_Unit_Count	1
4205685	Undefined_Bond_Stereo_Count	0
14899	Rotatable_Bond_Count	10
44144517	Rotatable_Bond_Count	2
43471	Defined_Bond_Stereo_Count	0
12248306	Structure_Complexity	101
5466987	Undefined_Atom_Stereo_Count	2
5505	TPSA	83.6
220338	Tautomer_Count	1
450591	Defined_Bond_Stereo_Count	0
3002335	Exact_Mass	511.18959167
122214804	Mono_Isotopic_Weight	311.9868610
58079819	Rotatable_Bond_Count	1
147895	Covalent_Unit_Count	1
6918293	Isotope_Atom_Count	0
22661587	TPSA	3
18962468	Isotope_Atom_Count	0
140945	Total_Formal_Charge	0
16749605	Hydrogen_Bond_Acceptor_Count	1
153311	Defined_Atom_Stereo_Count	3
23114997	Hydrogen_Bond_Acceptor_Count	1
11500877	XLogP3-AA	3
657210	Structure_Complexity	130
16722832	Rotatable_Bond_Count	8
7712	Mono_Isotopic_Weight	162.068079557
9066	Hydrogen_Bond_Donor_Count	1
70589	Undefined_Atom_Stereo_Count	0
725300	Total_Formal_Charge	0
158334	Molecular_Weight	843.1
2734898	Covalent_Unit_Count	3
534918	Isotope_Atom_Count	0
65359	Covalent_Unit_Count	1
8054	Hydrogen_Bond_Acceptor_Count	3
23535	Defined_Bond_Stereo_Count	0
25137901	TPSA	263
5281068	Mono_Isotopic_Weight	390.1346349
12958096	Molecular_Weight	128.18
26033	Tautomer_Count	1
56463	Undefined_Atom_Stereo_Count	0
805	Undefined_Atom_Stereo_Count	4
66586067	Isotope_Atom_Count	0
80972	Hydrogen_Bond_Donor_Count	0
31281	Undefined_Bond_Stereo_Count	0
540987	Defined_Bond_Stereo_Count	0
57057056	Hydrogen_Bond_Donor_Count	1
58373	Undefined_Bond_Stereo_Count	0
13244490	Isotope_Atom_Count	0
41839	Mono_Isotopic_Weight	359.0746777
15969	Tautomer_Count	2
25010556	Non-hydrogen_Atom_Count	26
43436603	TPSA	44
91362186	Undefined_Bond_Stereo_Count	0
3032361	Hydrogen_Bond_Acceptor_Count	2
86220885	XLogP3-AA	0.5
15474	Defined_Bond_Stereo_Count	0
771852	Molecular_Weight	302.30
15001198	Exact_Mass	235.84260
565674	Mono_Isotopic_Weight	180.151415257
11256720	Isotope_Atom_Count	0
9019	Defined_Atom_Stereo_Count	0
5678496	Total_Formal_Charge	0
7622	TPSA	3.2
9577984	Isotope_Atom_Count	0
69980	Isotope_Atom_Count	0
73949	Undefined_Bond_Stereo_Count	0
10781	Defined_Atom_Stereo_Count	0
65919626	Rotatable_Bond_Count	1
287180	Rotatable_Bond_Count	3
24750	Structure_Complexity	115
735091	Non-hydrogen_Atom_Count	16
10245190	XLogP3-AA	4.5
17799404	Defined_Bond_Stereo_Count	0
520445	Molecular_Weight	118.13
2762919	Rotatable_Bond_Count	0
78484	Hydrogen_Bond_Acceptor_Count	1
70686982	Isotope_Atom_Count	0
445318	Molecular_Weight	292.37
422478	Defined_Bond_Stereo_Count	0
1243	Isotope_Atom_Count	0
519103	Defined_Atom_Stereo_Count	0
46205408	Hydrogen_Bond_Acceptor_Count	8
95640	Tautomer_Count	1
2775641	Non-hydrogen_Atom_Count	8
9256	Isotope_Atom_Count	0
91933514	Structure_Complexity	3700
72187525	Hydrogen_Bond_Donor_Count	0
410906	Defined_Bond_Stereo_Count	0
25132069	Non-hydrogen_Atom_Count	26
6875624	TPSA	78.4
8843	TPSA	17.1
134129158	Total_Formal_Charge	0
137635	Tautomer_Count	3
137784	Structure_Complexity	82
65819	XLogP3-AA	1.3
5113487	Defined_Atom_Stereo_Count	0
49170	Defined_Bond_Stereo_Count	0
3040551	Total_Formal_Charge	0
10369242	TPSA	147
5459958	Structure_Complexity	136
58655	Structure_Complexity	212
517922	Isotope_Atom_Count	0
160876	Undefined_Atom_Stereo_Count	0
3082781	Rotatable_Bond_Count	3
3110	Hydrogen_Bond_Donor_Count	0
11094587	Defined_Atom_Stereo_Count	0
18795108	Rotatable_Bond_Count	2
12184591	Rotatable_Bond_Count	9
450840	Molecular_Weight	302.35
136212897	Isotope_Atom_Count	0
409474	Mono_Isotopic_Weight	283.157228913
68914546	Covalent_Unit_Count	2
5426	Total_Formal_Charge	0
24243	Undefined_Bond_Stereo_Count	0
9006	Structure_Complexity	108
9366	Defined_Bond_Stereo_Count	0
23704143	Tautomer_Count	4
1483	Undefined_Bond_Stereo_Count	0
74236	Tautomer_Count	1
163900	Mono_Isotopic_Weight	132.078644241
5738	Hydrogen_Bond_Acceptor_Count	7
14601092	Defined_Bond_Stereo_Count	0
11979704	Tautomer_Count	1
69046	Hydrogen_Bond_Donor_Count	2
5327	XLogP3	0.3
87504	Defined_Atom_Stereo_Count	1
67259738	Molecular_Weight	110.07
1057	Total_Formal_Charge	0
9743	TPSA	20.2
448285	Molecular_Weight	359.9
351770	Undefined_Bond_Stereo_Count	0
52918382	TPSA	94.5
25512	Hydrogen_Bond_Donor_Count	0
1643	Undefined_Bond_Stereo_Count	0
5243	Exact_Mass	437.02390878
5362460	Covalent_Unit_Count	1
5287879	Non-hydrogen_Atom_Count	59
6435812	TPSA	24.8
83872	Exact_Mass	258.11504700
431630	Molecular_Weight	100.12
129672477	Hydrogen_Bond_Donor_Count	5
5363685	Total_Formal_Charge	0
100930731	Total_Formal_Charge	0
5385314	Exact_Mass	170.05790880
6347538	Structure_Complexity	590
57121306	Mono_Isotopic_Weight	100.052429494
83150	Hydrogen_Bond_Donor_Count	2
443310	Hydrogen_Bond_Donor_Count	4
12902	TPSA	20.2
2723755	Non-hydrogen_Atom_Count	6
25195346	Defined_Bond_Stereo_Count	0
16049160	XLogP3-AA	2.9
134826704	Non-hydrogen_Atom_Count	82
7371	Defined_Bond_Stereo_Count	0
9839190	XLogP3-AA	1.1
72199784	Non-hydrogen_Atom_Count	35
6575	Covalent_Unit_Count	1
11105356	Undefined_Atom_Stereo_Count	0
85296	Tautomer_Count	1
10444160	Mono_Isotopic_Weight	237.10010796
71305034	Molecular_Weight	408.4
54522	Defined_Atom_Stereo_Count	0
46783403	Molecular_Weight	785.9
210328	TPSA	101
21867279	Defined_Atom_Stereo_Count	0
1479277	Undefined_Bond_Stereo_Count	0
43102	Hydrogen_Bond_Acceptor_Count	2
493662	Isotope_Atom_Count	0
23661960	Molecular_Weight	160.21
44144393	Covalent_Unit_Count	1
40159	Exact_Mass	390.0789499
24766296	Defined_Atom_Stereo_Count	0
3823	Total_Formal_Charge	0
6918678	Exact_Mass	361.12738533
6328526	Covalent_Unit_Count	2
49862872	Total_Formal_Charge	0
64487	Total_Formal_Charge	0
6441079	Undefined_Atom_Stereo_Count	9
68741938	Total_Formal_Charge	0
6435507	Covalent_Unit_Count	1
82851	Undefined_Bond_Stereo_Count	0
4205685	Defined_Atom_Stereo_Count	0
522325	Mono_Isotopic_Weight	333.07592146
12500500	Undefined_Atom_Stereo_Count	1
153997	Total_Formal_Charge	0
637593	Covalent_Unit_Count	1
46911864	Defined_Bond_Stereo_Count	2
28183	Molecular_Weight	316.22
51577	Total_Formal_Charge	0
72764	Tautomer_Count	2
6436605	Molecular_Weight	326.2
82047	Isotope_Atom_Count	0
10340798	Undefined_Atom_Stereo_Count	0
24771	Covalent_Unit_Count	1
126969054	Covalent_Unit_Count	1
2293	Isotope_Atom_Count	0
153386581	Non-hydrogen_Atom_Count	7
86601564	Undefined_Bond_Stereo_Count	0
37049	Structure_Complexity	689
7062	Undefined_Atom_Stereo_Count	0
6491	TPSA	58.2
11837140	Exact_Mass	260.94488788
97497	Molecular_Weight	96.13
24749711	Covalent_Unit_Count	1
51504	TPSA	68.9
17750876	TPSA	190
154058	Covalent_Unit_Count	2
85862	Rotatable_Bond_Count	4
90878759	TPSA	24.7
12304539	Total_Formal_Charge	0
9552081	Non-hydrogen_Atom_Count	60
21325324	Hydrogen_Bond_Acceptor_Count	2
10048011	Structure_Complexity	552
496	Covalent_Unit_Count	1
135580753	Hydrogen_Bond_Acceptor_Count	4
57401205	Mono_Isotopic_Weight	462.14607235
11492951	Defined_Atom_Stereo_Count	0
18542107	Defined_Atom_Stereo_Count	0
91747	Isotope_Atom_Count	0
870718	Hydrogen_Bond_Acceptor_Count	5
21519587	Structure_Complexity	99
9816506	Non-hydrogen_Atom_Count	19
135484551	Isotope_Atom_Count	0
2797779	Defined_Bond_Stereo_Count	0
52945260	Mono_Isotopic_Weight	353.13103142
14637946	Undefined_Bond_Stereo_Count	0
20216100	Structure_Complexity	76.2
64772	Isotope_Atom_Count	0
5359484	TPSA	88.8
10200813	Mono_Isotopic_Weight	397.14378429
26009888	Mono_Isotopic_Weight	113.058911855
73185506	TPSA	9.2
57397810	Defined_Bond_Stereo_Count	0
138694	Defined_Bond_Stereo_Count	0
53302268	XLogP3-AA	0
13778	XLogP3-AA	1.4
3743706	Exact_Mass	127.06088375
215932	Undefined_Atom_Stereo_Count	0
19604274	Molecular_Weight	192.17
3095	Undefined_Bond_Stereo_Count	0
5282768	Covalent_Unit_Count	1
53825954	Undefined_Atom_Stereo_Count	0
31343	Total_Formal_Charge	0
165571	Hydrogen_Bond_Donor_Count	0
19027501	Undefined_Atom_Stereo_Count	0
810229	Isotope_Atom_Count	0
97368	Exact_Mass	147.05315777
5250834	Hydrogen_Bond_Acceptor_Count	0
89663	Isotope_Atom_Count	0
6608	Rotatable_Bond_Count	2
6057875	Mono_Isotopic_Weight	665.30474055
57396085	Molecular_Weight	414.5
49290	Tautomer_Count	5
71587288	Covalent_Unit_Count	2
15109863	Hydrogen_Bond_Acceptor_Count	1
70430	Isotope_Atom_Count	0
11788264	TPSA	12
117781134	Non-hydrogen_Atom_Count	14
10887879	Hydrogen_Bond_Acceptor_Count	2
377339	Total_Formal_Charge	0
66117	Isotope_Atom_Count	0
6619	Non-hydrogen_Atom_Count	21
681274	Defined_Atom_Stereo_Count	0
56737	TPSA	106
3269	Defined_Bond_Stereo_Count	0
23039770	Rotatable_Bond_Count	2
16556	Exact_Mass	222.173213330
1549103	Structure_Complexity	156
755	Covalent_Unit_Count	1
11976366	Mono_Isotopic_Weight	334.14814140
109016492	Hydrogen_Bond_Donor_Count	2
846	Isotope_Atom_Count	0
5462	Rotatable_Bond_Count	7
5364328	Structure_Complexity	102
151129985	Hydrogen_Bond_Acceptor_Count	3
6125	Exact_Mass	133.95919704
95433	Undefined_Bond_Stereo_Count	0
5473268	Defined_Bond_Stereo_Count	1
631779	Exact_Mass	352.101702159
71469	Undefined_Bond_Stereo_Count	0
87481476	Defined_Atom_Stereo_Count	0
3489	Covalent_Unit_Count	1
57351929	Defined_Bond_Stereo_Count	0
134695314	Isotope_Atom_Count	0
42827	Rotatable_Bond_Count	2
59296081	Covalent_Unit_Count	1
129712967	Defined_Bond_Stereo_Count	0
11636816	Defined_Bond_Stereo_Count	0
117881739	Defined_Bond_Stereo_Count	0
9863827	Total_Formal_Charge	0
79875564	Hydrogen_Bond_Donor_Count	1
71590622	Undefined_Atom_Stereo_Count	1
93500	Total_Formal_Charge	0
9867061	Non-hydrogen_Atom_Count	30
6432746	Covalent_Unit_Count	1
21917690	TPSA	27.7
41936	Defined_Atom_Stereo_Count	0
145458139	Defined_Bond_Stereo_Count	0
1582	Undefined_Bond_Stereo_Count	0
9548659	Isotope_Atom_Count	0
135398729	Exact_Mass	237.08618923
543565	XLogP3-AA	0.6
7619	Non-hydrogen_Atom_Count	16
96033	Defined_Atom_Stereo_Count	0
446284	Rotatable_Bond_Count	13
71752170	Hydrogen_Bond_Donor_Count	1
25244520	Exact_Mass	166.97454984
53786	Exact_Mass	370.18566972
543129	Covalent_Unit_Count	1
54399	Non-hydrogen_Atom_Count	31
387	Covalent_Unit_Count	1
779179	Exact_Mass	347.18450629
10345790	Non-hydrogen_Atom_Count	32
24961094	Isotope_Atom_Count	0
12369	Structure_Complexity	35.4
68009554	Molecular_Weight	342.30
3796816	Mono_Isotopic_Weight	110.036779430
489236	Total_Formal_Charge	0
56669107	Undefined_Bond_Stereo_Count	0
159169	Rotatable_Bond_Count	0
11675388	Non-hydrogen_Atom_Count	27
100439	Mono_Isotopic_Weight	190.04907545
11711595	Isotope_Atom_Count	0
95913783	Non-hydrogen_Atom_Count	7
49864506	Non-hydrogen_Atom_Count	20
2042	Defined_Atom_Stereo_Count	0
133679779	Non-hydrogen_Atom_Count	8
6413529	Defined_Bond_Stereo_Count	2
129664186	Hydrogen_Bond_Donor_Count	0
72732196	Hydrogen_Bond_Donor_Count	2
41282	Hydrogen_Bond_Acceptor_Count	0
23672329	Undefined_Atom_Stereo_Count	0
5280795	Undefined_Atom_Stereo_Count	0
10931233	Isotope_Atom_Count	0
4507	Tautomer_Count	5
130150721	Hydrogen_Bond_Donor_Count	1
70683750	Covalent_Unit_Count	1
5447130	Hydrogen_Bond_Acceptor_Count	5
5976	Undefined_Bond_Stereo_Count	0
4678317	Undefined_Bond_Stereo_Count	0
87048	Molecular_Weight	141.13
11100989	Isotope_Atom_Count	0
70677	Total_Formal_Charge	0
12148754	TPSA	98.7
54687420	Undefined_Bond_Stereo_Count	0
6436223	Non-hydrogen_Atom_Count	44
154109602	Undefined_Atom_Stereo_Count	2
14840499	Hydrogen_Bond_Donor_Count	0
18233	Molecular_Weight	102.09
160523	Covalent_Unit_Count	3
690	Hydrogen_Bond_Acceptor_Count	3
4903	Undefined_Bond_Stereo_Count	0
16681432	Structure_Complexity	1850
3035405	Molecular_Weight	1213.4
78738	Hydrogen_Bond_Acceptor_Count	3
117659387	Undefined_Atom_Stereo_Count	2
127527	Undefined_Atom_Stereo_Count	0
102565432	Rotatable_Bond_Count	3
961	Structure_Complexity	0
86007746	Hydrogen_Bond_Donor_Count	0
9837352	Undefined_Bond_Stereo_Count	0
61622	Total_Formal_Charge	0
91490309	Hydrogen_Bond_Acceptor_Count	3
154237264	Undefined_Bond_Stereo_Count	0
43834223	Undefined_Bond_Stereo_Count	0
84393	Mono_Isotopic_Weight	205.9723768
446504	Covalent_Unit_Count	1
7814	Covalent_Unit_Count	1
7560	Hydrogen_Bond_Acceptor_Count	1
4372	Undefined_Bond_Stereo_Count	2
23694671	Hydrogen_Bond_Acceptor_Count	2
6361	Isotope_Atom_Count	0
129744573	Molecular_Weight	111.10
88035683	TPSA	44.6
5880	Total_Formal_Charge	0
39929	Non-hydrogen_Atom_Count	17
45852	Total_Formal_Charge	0
58970	Defined_Atom_Stereo_Count	0
9642	Mono_Isotopic_Weight	494.21160968
75057	Defined_Bond_Stereo_Count	0
14017	Isotope_Atom_Count	0
28674	Isotope_Atom_Count	0
6419536	TPSA	50.2
71517529	Undefined_Bond_Stereo_Count	0
5372405	Covalent_Unit_Count	1
139061810	Defined_Bond_Stereo_Count	0
131668620	Undefined_Bond_Stereo_Count	5
6097177	Mono_Isotopic_Weight	313.8723432
45933578	Covalent_Unit_Count	1
70693548	Isotope_Atom_Count	0
61718	Mono_Isotopic_Weight	256.16745924
586083	Non-hydrogen_Atom_Count	16
21130160	Non-hydrogen_Atom_Count	8
962001	Rotatable_Bond_Count	4
469	Covalent_Unit_Count	1
67513158	Undefined_Atom_Stereo_Count	0
193989	Rotatable_Bond_Count	6
7019016	Defined_Atom_Stereo_Count	1
7398	Undefined_Atom_Stereo_Count	0
12936897	Covalent_Unit_Count	1
42438	Undefined_Bond_Stereo_Count	0
439456	Rotatable_Bond_Count	6
33014	Non-hydrogen_Atom_Count	22
91133104	Defined_Atom_Stereo_Count	0
123671885	Exact_Mass	102.068079557
381993	TPSA	85.1
56962313	Non-hydrogen_Atom_Count	33
91408078	Isotope_Atom_Count	0
6562	Undefined_Bond_Stereo_Count	0
95866	Molecular_Weight	90.08
80085	Isotope_Atom_Count	0
643312	Hydrogen_Bond_Donor_Count	2
69591	Hydrogen_Bond_Donor_Count	1
136649217	Undefined_Bond_Stereo_Count	0
7135	Hydrogen_Bond_Donor_Count	1
41171	Tautomer_Count	1
10898645	Exact_Mass	94.053098200
637997	Structure_Complexity	95.7
83193	TPSA	30.4
176453	Hydrogen_Bond_Acceptor_Count	4
13198436	Exact_Mass	102.031694049
15221251	Non-hydrogen_Atom_Count	23
10006	Tautomer_Count	8
90472762	Hydrogen_Bond_Donor_Count	5
12229396	Undefined_Atom_Stereo_Count	0
139058077	Covalent_Unit_Count	4
3801344	Hydrogen_Bond_Donor_Count	0
8940	Structure_Complexity	390
636367	Isotope_Atom_Count	0
11116296	Covalent_Unit_Count	1
75082	Non-hydrogen_Atom_Count	6
71302984	Isotope_Atom_Count	0
71160	Molecular_Weight	258.35
81909	Total_Formal_Charge	0
139192	Defined_Bond_Stereo_Count	0
23622607	Undefined_Bond_Stereo_Count	0
5442	Hydrogen_Bond_Donor_Count	0
101625661	Hydrogen_Bond_Donor_Count	2
13351	Undefined_Bond_Stereo_Count	0
123609380	Defined_Atom_Stereo_Count	0
25127622	Isotope_Atom_Count	0
51142	XLogP3-AA	8
71455485	Defined_Bond_Stereo_Count	0
79036	Mono_Isotopic_Weight	150.104465066
8059	Isotope_Atom_Count	0
5360621	Exact_Mass	461.16858144
968688	Hydrogen_Bond_Donor_Count	0
11974215	Defined_Atom_Stereo_Count	0
14173662	Mono_Isotopic_Weight	111.032028402
71459864	Rotatable_Bond_Count	18
90469695	Hydrogen_Bond_Donor_Count	5
2712	Undefined_Bond_Stereo_Count	0
637668	Mono_Isotopic_Weight	178.062994177
123964585	Isotope_Atom_Count	0
12643154	Isotope_Atom_Count	0
64805	Hydrogen_Bond_Acceptor_Count	3
50614	Undefined_Bond_Stereo_Count	0
70698365	Molecular_Weight	656.4
86170	Covalent_Unit_Count	1
89076189	Non-hydrogen_Atom_Count	8
5541	Isotope_Atom_Count	0
9883104	Defined_Bond_Stereo_Count	0
11725	Hydrogen_Bond_Donor_Count	0
71713951	TPSA	106
10405997	Exact_Mass	356.23514488
53741494	Covalent_Unit_Count	1
154489025	Undefined_Bond_Stereo_Count	1
22819	Non-hydrogen_Atom_Count	10
24776149	Isotope_Atom_Count	0
2724588	Hydrogen_Bond_Acceptor_Count	9
19859	Hydrogen_Bond_Donor_Count	1
36821	Covalent_Unit_Count	1
57057991	Defined_Atom_Stereo_Count	0
7892	Defined_Atom_Stereo_Count	0
16218740	Total_Formal_Charge	1
323	Hydrogen_Bond_Acceptor_Count	2
165609608	Rotatable_Bond_Count	2
135403803	Undefined_Atom_Stereo_Count	0
270624	Exact_Mass	100.052429494
11197252	Defined_Bond_Stereo_Count	0
91558991	Isotope_Atom_Count	0
57372628	Rotatable_Bond_Count	6
108956	Non-hydrogen_Atom_Count	37
4866625	Defined_Bond_Stereo_Count	0
123337109	Undefined_Atom_Stereo_Count	2
78490	Hydrogen_Bond_Donor_Count	0
26618	Isotope_Atom_Count	0
444346	XLogP3-AA	0.6
22841634	Rotatable_Bond_Count	2
5388880	Structure_Complexity	0
163798512	Exact_Mass	665.30474055
54698175	Mono_Isotopic_Weight	542.17049376
11829397	TPSA	25.1
71987	Isotope_Atom_Count	0
15953353	Structure_Complexity	615
6502	Mono_Isotopic_Weight	120.078644241
66576988	Rotatable_Bond_Count	8
6230	Defined_Atom_Stereo_Count	6
75947	Isotope_Atom_Count	0
6334	TPSA	0
46204458	Total_Formal_Charge	0
542882	Structure_Complexity	194
17317	Molecular_Weight	236.34
16211460	Total_Formal_Charge	0
540327	Structure_Complexity	415
17722	Defined_Bond_Stereo_Count	0
2811	TPSA	60.9
249778	Defined_Atom_Stereo_Count	0
12313849	Mono_Isotopic_Weight	347.07937252
10410064	Structure_Complexity	686
8441	Undefined_Bond_Stereo_Count	0
21673601	Mono_Isotopic_Weight	276.14739250
14338	Hydrogen_Bond_Donor_Count	0
3906961	Mono_Isotopic_Weight	201.98101840
11655511	Undefined_Atom_Stereo_Count	0
23668195	Isotope_Atom_Count	0
54706667	TPSA	80.6
9236	Defined_Atom_Stereo_Count	0
5312	Structure_Complexity	183
1858	Hydrogen_Bond_Donor_Count	2
5330213	Hydrogen_Bond_Donor_Count	1
135763205	Rotatable_Bond_Count	3
13427979	Defined_Atom_Stereo_Count	0
96910	Molecular_Weight	281.33
53372724	Rotatable_Bond_Count	9
13166771	Hydrogen_Bond_Donor_Count	0
6918003	TPSA	50.2
134919	Covalent_Unit_Count	1
138024	Hydrogen_Bond_Donor_Count	0
4485	Covalent_Unit_Count	1
51416813	Molecular_Weight	369.4
59259660	Undefined_Bond_Stereo_Count	0
10031812	Exact_Mass	620.33089573
10818	Rotatable_Bond_Count	1
186044	Exact_Mass	101.047678466
83909	TPSA	29.5
7266	Total_Formal_Charge	0
135407408	Total_Formal_Charge	0
5284380	Rotatable_Bond_Count	5
125462113	Total_Formal_Charge	0
9543026	TPSA	389
23622607	Structure_Complexity	610
131731747	Non-hydrogen_Atom_Count	13
638116	Exact_Mass	116.065741536
74	Undefined_Atom_Stereo_Count	5
34515	Tautomer_Count	2
57399651	Hydrogen_Bond_Acceptor_Count	6
21951770	Hydrogen_Bond_Acceptor_Count	5
70103	Rotatable_Bond_Count	0
11488729	Hydrogen_Bond_Donor_Count	0
121732	XLogP3-AA	1.4
22976356	Total_Formal_Charge	0
498650	Total_Formal_Charge	0
9275	Total_Formal_Charge	0
4103	Hydrogen_Bond_Acceptor_Count	7
81309	Tautomer_Count	1
14555267	Hydrogen_Bond_Donor_Count	1
527633	Isotope_Atom_Count	0
15620	Structure_Complexity	27.4
4171	Exact_Mass	267.18344366
103875	Tautomer_Count	1
5311032	Exact_Mass	641.37884898
5076	Exact_Mass	720.31276100
44229138	Hydrogen_Bond_Acceptor_Count	3
9494	Covalent_Unit_Count	1
5281525	Hydrogen_Bond_Acceptor_Count	1
71793	Defined_Atom_Stereo_Count	0
91465	XLogP3-AA	9.4
5289295	Isotope_Atom_Count	0
116842253	Mono_Isotopic_Weight	109.089149355
139158	Isotope_Atom_Count	0
9915813	Defined_Bond_Stereo_Count	0
141289	Molecular_Weight	94.15
51346588	Rotatable_Bond_Count	0
17811	Rotatable_Bond_Count	3
101148	XLogP3	1.8
67128499	Hydrogen_Bond_Donor_Count	2
9863672	Exact_Mass	323.11037616
23685289	Non-hydrogen_Atom_Count	9
88064	Exact_Mass	131.058243149
57398150	Non-hydrogen_Atom_Count	26
447278	Undefined_Bond_Stereo_Count	0
60768	TPSA	45.9
279305	Defined_Atom_Stereo_Count	0
441130	Rotatable_Bond_Count	5
129539	Hydrogen_Bond_Donor_Count	0
33672	Covalent_Unit_Count	1
23678591	Defined_Atom_Stereo_Count	0
28332	Non-hydrogen_Atom_Count	39
143466591	TPSA	21.6
57396865	XLogP3-AA	3.5
7118	Total_Formal_Charge	0
13019050	Non-hydrogen_Atom_Count	30
53486702	Exact_Mass	388.03102
25138203	Mono_Isotopic_Weight	354.11504700
64696	Hydrogen_Bond_Donor_Count	2
105039	Hydrogen_Bond_Acceptor_Count	3
44119664	Undefined_Atom_Stereo_Count	0
502206	Defined_Atom_Stereo_Count	15
2546	Covalent_Unit_Count	1
572331	Defined_Atom_Stereo_Count	0
67473	Covalent_Unit_Count	1
86083878	Undefined_Bond_Stereo_Count	0
5287541	Hydrogen_Bond_Acceptor_Count	6
52993101	Covalent_Unit_Count	1
216454	Tautomer_Count	2
19911136	Undefined_Bond_Stereo_Count	0
101598717	Covalent_Unit_Count	1
76171	Isotope_Atom_Count	0
66304	Undefined_Bond_Stereo_Count	0
5320	Isotope_Atom_Count	0
6419108	Defined_Bond_Stereo_Count	0
2762874	Undefined_Atom_Stereo_Count	0
170563	Hydrogen_Bond_Donor_Count	2
18622372	Undefined_Bond_Stereo_Count	0
3173542	Undefined_Bond_Stereo_Count	0
203911	Rotatable_Bond_Count	2
36613	Tautomer_Count	1
64247	Undefined_Atom_Stereo_Count	0
459971	Defined_Bond_Stereo_Count	0
127441	Isotope_Atom_Count	0
87612217	Undefined_Bond_Stereo_Count	0
101836	Total_Formal_Charge	0
21998683	XLogP3-AA	0.7
5284572	Hydrogen_Bond_Acceptor_Count	7
162639137	Total_Formal_Charge	0
88705879	Covalent_Unit_Count	1
12004418	Hydrogen_Bond_Acceptor_Count	2
18366133	Isotope_Atom_Count	0
8042	Defined_Atom_Stereo_Count	0
61539	Covalent_Unit_Count	1
107952	Rotatable_Bond_Count	11
25272039	Covalent_Unit_Count	1
12523672	Undefined_Atom_Stereo_Count	2
805985	Covalent_Unit_Count	1
68210	Total_Formal_Charge	0
93500	Hydrogen_Bond_Donor_Count	0
19809734	Isotope_Atom_Count	0
16051942	Hydrogen_Bond_Donor_Count	1
11062335	Covalent_Unit_Count	1
21863274	Total_Formal_Charge	0
22574	Mono_Isotopic_Weight	232.99940812
58531	Total_Formal_Charge	0
4285	XLogP3-AA	6.3
118210808	Exact_Mass	114.068079557
7469	Exact_Mass	136.052429494
12628168	Structure_Complexity	118
91668194	Molecular_Weight	415.4
138199	Defined_Atom_Stereo_Count	0
14103059	Undefined_Bond_Stereo_Count	0
44228720	Covalent_Unit_Count	1
67383967	Defined_Bond_Stereo_Count	0
21703573	Undefined_Bond_Stereo_Count	0
16157	Total_Formal_Charge	0
656652	Defined_Bond_Stereo_Count	0
129711560	Hydrogen_Bond_Donor_Count	2
135407110	Mono_Isotopic_Weight	268.08076950
139113917	Hydrogen_Bond_Acceptor_Count	12
7918	Hydrogen_Bond_Acceptor_Count	3
25162926	Exact_Mass	583.23212480
67688	Total_Formal_Charge	0
3048356	Undefined_Atom_Stereo_Count	0
19879775	XLogP3-AA	2.1
90643	Rotatable_Bond_Count	0
18769554	Undefined_Bond_Stereo_Count	0
101626738	Undefined_Atom_Stereo_Count	0
17873276	Isotope_Atom_Count	0
15376	Covalent_Unit_Count	1
5362119	Hydrogen_Bond_Acceptor_Count	7
521928	Structure_Complexity	635
14868106	Rotatable_Bond_Count	1
4713	Undefined_Atom_Stereo_Count	0
23379007	Undefined_Atom_Stereo_Count	2
562676	XLogP3-AA	2.6
141407440	Non-hydrogen_Atom_Count	8
70884982	Total_Formal_Charge	0
32698	Rotatable_Bond_Count	4
118984450	Molecular_Weight	5808
2142	TPSA	332
69215	Hydrogen_Bond_Donor_Count	0
92416	Hydrogen_Bond_Acceptor_Count	4
129797817	Covalent_Unit_Count	1
10399	Covalent_Unit_Count	1
9746	XLogP3	0.8
9800555	Defined_Atom_Stereo_Count	0
5174	XLogP3	3.7
19362293	Non-hydrogen_Atom_Count	7
4678317	Undefined_Atom_Stereo_Count	0
1519404	Total_Formal_Charge	0
135403805	Rotatable_Bond_Count	3
5011	Defined_Atom_Stereo_Count	0
154058	Defined_Atom_Stereo_Count	2
25001002	Rotatable_Bond_Count	12
12510987	Hydrogen_Bond_Acceptor_Count	2
75675	Undefined_Bond_Stereo_Count	0
48368	Tautomer_Count	1
23265	Rotatable_Bond_Count	2
205586	Covalent_Unit_Count	1
13524524	Defined_Atom_Stereo_Count	0
134167153	Non-hydrogen_Atom_Count	47
6957673	Molecular_Weight	404.4
11617559	Undefined_Atom_Stereo_Count	0
134688043	Hydrogen_Bond_Donor_Count	4
8502	Molecular_Weight	185.56
676041	Exact_Mass	219.125928785
13427979	Undefined_Atom_Stereo_Count	0
5250834	Mono_Isotopic_Weight	150.128274515
137430	Undefined_Bond_Stereo_Count	0
80009	Mono_Isotopic_Weight	99.104799419
24967621	Hydrogen_Bond_Acceptor_Count	4
2762874	Defined_Atom_Stereo_Count	0
75530159	Structure_Complexity	173
84552	Non-hydrogen_Atom_Count	6
192925	Hydrogen_Bond_Acceptor_Count	1
1356	Hydrogen_Bond_Donor_Count	5
10766	Structure_Complexity	247
60155100	Hydrogen_Bond_Acceptor_Count	7
12579403	Rotatable_Bond_Count	1
448223	Covalent_Unit_Count	1
60627	Hydrogen_Bond_Donor_Count	1
441757	Rotatable_Bond_Count	2
66609	Defined_Bond_Stereo_Count	0
13908	Non-hydrogen_Atom_Count	15
148013616	Defined_Bond_Stereo_Count	0
86811394	Defined_Bond_Stereo_Count	0
104163	Exact_Mass	230.21066147
12339043	Hydrogen_Bond_Acceptor_Count	1
7434	Structure_Complexity	229
119716	XLogP3	3.4
87455238	Undefined_Bond_Stereo_Count	0
717663	Mono_Isotopic_Weight	281.116426730
446845	Hydrogen_Bond_Acceptor_Count	5
63089348	Total_Formal_Charge	0
135457035	Undefined_Bond_Stereo_Count	0
6810	TPSA	43.4
54887	Hydrogen_Bond_Donor_Count	4
642799	TPSA	12.9
6536	TPSA	32.7
154353878	Undefined_Atom_Stereo_Count	0
13241308	Hydrogen_Bond_Acceptor_Count	3
23950	Mono_Isotopic_Weight	101.904340
548521	XLogP3-AA	0.4
9847721	Mono_Isotopic_Weight	474.19031994
9865514	Non-hydrogen_Atom_Count	30
10931397	TPSA	34.5
5356544	Total_Formal_Charge	0
88300	Exact_Mass	296.19875937
31639	Non-hydrogen_Atom_Count	14
11017510	Covalent_Unit_Count	1
639643	Isotope_Atom_Count	0
429095	Undefined_Atom_Stereo_Count	0
150257	Exact_Mass	267.06776246
9827294	Undefined_Bond_Stereo_Count	0
11589453	Hydrogen_Bond_Donor_Count	1
35372055	Defined_Bond_Stereo_Count	0
54585642	Non-hydrogen_Atom_Count	24
451187	Undefined_Bond_Stereo_Count	0
16212436	Mono_Isotopic_Weight	566.04954
31291	Defined_Atom_Stereo_Count	0
131752860	Hydrogen_Bond_Acceptor_Count	1
139977	Undefined_Bond_Stereo_Count	0
134828	Mono_Isotopic_Weight	298.09535693
524217	Undefined_Bond_Stereo_Count	0
130023	Hydrogen_Bond_Donor_Count	2
2209	Rotatable_Bond_Count	1
97289	Mono_Isotopic_Weight	178.0185425
54480591	Undefined_Bond_Stereo_Count	1
129652979	Defined_Atom_Stereo_Count	0
11084068	Hydrogen_Bond_Donor_Count	1
338812	Exact_Mass	112.052429494
5280906	Exact_Mass	335.17327290
95890	Hydrogen_Bond_Acceptor_Count	1
102681	XLogP3-AA	2.7
123840	Defined_Atom_Stereo_Count	0
5783	Undefined_Bond_Stereo_Count	0
21227	Exact_Mass	114.068079557
154016567	Molecular_Weight	111.10
40520	TPSA	46.6
137701808	Exact_Mass	639.37711765
135678081	Hydrogen_Bond_Acceptor_Count	12
434207	Defined_Bond_Stereo_Count	0
11637983	Rotatable_Bond_Count	3
146159824	Mono_Isotopic_Weight	284.16237386
56669107	Defined_Atom_Stereo_Count	0
5311217	Hydrogen_Bond_Donor_Count	1
21702858	Molecular_Weight	114.14
657004	Hydrogen_Bond_Acceptor_Count	5
13191	Isotope_Atom_Count	0
83966	Undefined_Atom_Stereo_Count	0
79241	Tautomer_Count	1
6437380	Isotope_Atom_Count	0
57224326	Structure_Complexity	70.8
9820008	Defined_Bond_Stereo_Count	0
11574877	Defined_Bond_Stereo_Count	0
56841872	Mono_Isotopic_Weight	392.19990218
9949648	Undefined_Atom_Stereo_Count	0
12554265	Defined_Bond_Stereo_Count	0
62672	Non-hydrogen_Atom_Count	10
19350299	XLogP3-AA	0
92043261	Mono_Isotopic_Weight	215.97756350
12671690	Defined_Bond_Stereo_Count	0
573744	Undefined_Atom_Stereo_Count	0
12936897	Undefined_Atom_Stereo_Count	1
80717	Mono_Isotopic_Weight	260.01030715
564751	Undefined_Bond_Stereo_Count	0
54687420	Defined_Atom_Stereo_Count	0
5324166	Total_Formal_Charge	0
56672298	Mono_Isotopic_Weight	405.12594604
4293	Exact_Mass	337.95234150
155907170	TPSA	186
23622607	Undefined_Atom_Stereo_Count	0
82441	Hydrogen_Bond_Acceptor_Count	12
15983287	Undefined_Atom_Stereo_Count	1
78225453	TPSA	95.5
14286	Hydrogen_Bond_Donor_Count	0
134056	Rotatable_Bond_Count	7
18600476	Molecular_Weight	362.42
9855453	Rotatable_Bond_Count	3
12548640	Hydrogen_Bond_Acceptor_Count	2
12471321	Undefined_Atom_Stereo_Count	2
145915578	Total_Formal_Charge	0
72076	Undefined_Atom_Stereo_Count	0
858712	Covalent_Unit_Count	1
431094	Exact_Mass	1197.605436
61680	Defined_Bond_Stereo_Count	0
13083754	Molecular_Weight	112.17
21325324	Structure_Complexity	94.5
3033674	Hydrogen_Bond_Acceptor_Count	8
1034	Isotope_Atom_Count	0
134816864	Defined_Bond_Stereo_Count	0
146681255	Isotope_Atom_Count	0
11126191	Molecular_Weight	102.13
47104	Structure_Complexity	350
12132	Mono_Isotopic_Weight	208.100048391
10459649	Hydrogen_Bond_Acceptor_Count	9
17806836	Defined_Bond_Stereo_Count	0
131674979	Non-hydrogen_Atom_Count	59
22169421	Exact_Mass	309.151749610
1676	Undefined_Atom_Stereo_Count	0
4927	Covalent_Unit_Count	1
21703573	Defined_Atom_Stereo_Count	0
82703	Rotatable_Bond_Count	1
11355992	Structure_Complexity	87.7
11717831	Undefined_Bond_Stereo_Count	0
20662793	Isotope_Atom_Count	0
1136	Total_Formal_Charge	0
9823887	Non-hydrogen_Atom_Count	30
146159661	TPSA	23.5
60148432	Defined_Atom_Stereo_Count	0
66901	Isotope_Atom_Count	0
514	Rotatable_Bond_Count	7
54605723	Rotatable_Bond_Count	4
2633	TPSA	304
4432	Non-hydrogen_Atom_Count	31
73441	Tautomer_Count	10
141008392	Total_Formal_Charge	0
17151	Undefined_Bond_Stereo_Count	0
13199930	Non-hydrogen_Atom_Count	12
229	Non-hydrogen_Atom_Count	10
255	Molecular_Weight	340.18
17198	Non-hydrogen_Atom_Count	14
72618469	Defined_Bond_Stereo_Count	0
61048	Rotatable_Bond_Count	4
708614	Total_Formal_Charge	0
6331075	Hydrogen_Bond_Donor_Count	2
24814	Total_Formal_Charge	0
11208660	Undefined_Bond_Stereo_Count	0
131634907	Isotope_Atom_Count	0
163501159	Covalent_Unit_Count	1
10076625	Hydrogen_Bond_Donor_Count	2
45788574	Isotope_Atom_Count	0
3754	Hydrogen_Bond_Acceptor_Count	5
946372	Structure_Complexity	492
4255	Undefined_Bond_Stereo_Count	0
23622607	Defined_Atom_Stereo_Count	10
10754	Hydrogen_Bond_Donor_Count	4
13084	Hydrogen_Bond_Donor_Count	2
12472	Defined_Atom_Stereo_Count	0
123935295	Total_Formal_Charge	0
83966	Defined_Atom_Stereo_Count	0
10325129	Hydrogen_Bond_Acceptor_Count	8
118990144	XLogP3-AA	0.4
57800	Molecular_Weight	408.3
19543	Covalent_Unit_Count	1
89921642	Hydrogen_Bond_Acceptor_Count	15
96299	Mono_Isotopic_Weight	238.110613074
56659408	Undefined_Atom_Stereo_Count	0
82220	Total_Formal_Charge	0
53484567	Non-hydrogen_Atom_Count	8
233085	Hydrogen_Bond_Acceptor_Count	4
43375	Defined_Bond_Stereo_Count	0
85963	Tautomer_Count	1
6437358	Covalent_Unit_Count	1
67112	Hydrogen_Bond_Donor_Count	1
17865	Undefined_Atom_Stereo_Count	0
3791	Covalent_Unit_Count	1
11451	TPSA	83
9082	Isotope_Atom_Count	0
52950209	Total_Formal_Charge	0
85802	Isotope_Atom_Count	0
96665	TPSA	54.4
721436	Defined_Bond_Stereo_Count	0
72823952	Undefined_Atom_Stereo_Count	2
22103887	Rotatable_Bond_Count	2
5324776	Total_Formal_Charge	0
62371	Non-hydrogen_Atom_Count	19
15179723	Covalent_Unit_Count	1
347475	Total_Formal_Charge	0
57340467	Molecular_Weight	344.3
19966769	Covalent_Unit_Count	1
9952	TPSA	29.5
12750	Rotatable_Bond_Count	0
636857	Exact_Mass	479.24202116
18673160	Undefined_Bond_Stereo_Count	0
15208	Undefined_Bond_Stereo_Count	0
82419	Rotatable_Bond_Count	1
72076	Defined_Atom_Stereo_Count	0
81569	Tautomer_Count	1
6450531	Undefined_Atom_Stereo_Count	0
6806	Isotope_Atom_Count	0
96350	Tautomer_Count	1
19375004	TPSA	35.3
51124	Defined_Bond_Stereo_Count	0
6918126	Undefined_Atom_Stereo_Count	0
158506	Rotatable_Bond_Count	4
2761815	XLogP3	0.1
7168	Non-hydrogen_Atom_Count	15
134688669	Hydrogen_Bond_Donor_Count	2
12713	Non-hydrogen_Atom_Count	14
10989	Exact_Mass	158.167065321
57357187	TPSA	86.7
447001	Mono_Isotopic_Weight	302.08923998
25622	Undefined_Bond_Stereo_Count	0
123753428	Defined_Bond_Stereo_Count	0
53234134	Non-hydrogen_Atom_Count	45
13082452	Mono_Isotopic_Weight	114.068079557
43834	Tautomer_Count	1
1783	Structure_Complexity	529
57391320	XLogP3-AA	3.1
119096	XLogP3	2
109022	Covalent_Unit_Count	1
152743492	Structure_Complexity	588
13758360	Defined_Atom_Stereo_Count	0
18952325	Defined_Bond_Stereo_Count	0
24751	Defined_Bond_Stereo_Count	0
2774635	TPSA	12.9
11733	Defined_Bond_Stereo_Count	0
719704	Hydrogen_Bond_Acceptor_Count	3
20056828	Hydrogen_Bond_Acceptor_Count	18
87985	TPSA	26.3
2733525	Structure_Complexity	690
518996	Defined_Bond_Stereo_Count	0
9962911	Hydrogen_Bond_Acceptor_Count	16
64587	Tautomer_Count	2
79242	Hydrogen_Bond_Donor_Count	2
220272	Hydrogen_Bond_Acceptor_Count	3
3222	TPSA	95.9
25201948	Isotope_Atom_Count	0
43102	Undefined_Atom_Stereo_Count	0
37140	Defined_Atom_Stereo_Count	0
83656	Defined_Atom_Stereo_Count	0
54886	Hydrogen_Bond_Acceptor_Count	7
134687906	Non-hydrogen_Atom_Count	59
7105	Tautomer_Count	1
160024	Defined_Atom_Stereo_Count	2
543047	Hydrogen_Bond_Donor_Count	1
422	Hydrogen_Bond_Acceptor_Count	10
551778	Structure_Complexity	67.9
55298701	Non-hydrogen_Atom_Count	7
71482479	Mono_Isotopic_Weight	146.06914219
9839581	Total_Formal_Charge	0
21809327	Isotope_Atom_Count	0
54392998	Isotope_Atom_Count	0
104881	Structure_Complexity	500
11840951	Hydrogen_Bond_Acceptor_Count	5
122706529	Hydrogen_Bond_Donor_Count	6
522390	Structure_Complexity	34.8
17783223	Undefined_Bond_Stereo_Count	0
58863	Rotatable_Bond_Count	10
65773	XLogP3-AA	2
21414	Hydrogen_Bond_Donor_Count	1
15004989	Undefined_Atom_Stereo_Count	1
59908032	XLogP3-AA	2.6
166560	Rotatable_Bond_Count	0
5354042	Defined_Bond_Stereo_Count	3
49862689	Isotope_Atom_Count	0
21791633	Defined_Bond_Stereo_Count	0
265520	Hydrogen_Bond_Acceptor_Count	2
8630	Tautomer_Count	1
57992215	Covalent_Unit_Count	1
46911956	TPSA	21.3
22505735	Total_Formal_Charge	0
20697439	Total_Formal_Charge	0
15567528	Undefined_Bond_Stereo_Count	0
17992338	Mono_Isotopic_Weight	100.063662883
16129759	Undefined_Atom_Stereo_Count	20
71332025	Undefined_Bond_Stereo_Count	1
73241	Structure_Complexity	171
107950	Mono_Isotopic_Weight	278.07793079
11755113	Undefined_Atom_Stereo_Count	1
231934	Defined_Bond_Stereo_Count	1
1127	Non-hydrogen_Atom_Count	5
22833341	Mono_Isotopic_Weight	554.016873
5301	XLogP3-AA	0.5
44457029	TPSA	73.2
154067559	Total_Formal_Charge	0
48978	Defined_Atom_Stereo_Count	0
71584053	Hydrogen_Bond_Donor_Count	1
5280531	Undefined_Atom_Stereo_Count	0
46869955	Non-hydrogen_Atom_Count	29
39622	Mono_Isotopic_Weight	337.11142153
4518	Covalent_Unit_Count	1
179849	Total_Formal_Charge	0
78241	Defined_Bond_Stereo_Count	0
185992	Covalent_Unit_Count	1
123415454	Exact_Mass	97.089149355
127243400	Exact_Mass	733.52411623
91617740	Isotope_Atom_Count	0
5288615	XLogP3-AA	1.6
34388	Total_Formal_Charge	0
137735	Molecular_Weight	96.13
56769	TPSA	0
53384934	Hydrogen_Bond_Donor_Count	7
121207425	Defined_Atom_Stereo_Count	0
442461	Isotope_Atom_Count	0
23535	Exact_Mass	273.172878976
9849490	Isotope_Atom_Count	0
443406	TPSA	43.7
127382	Isotope_Atom_Count	0
3668575	Non-hydrogen_Atom_Count	21
66193	Molecular_Weight	174.19
138680	Undefined_Bond_Stereo_Count	0
8543	Tautomer_Count	9
11107	Mono_Isotopic_Weight	156.068748264
25352	TPSA	91.6
7401	Defined_Atom_Stereo_Count	0
2779024	Hydrogen_Bond_Acceptor_Count	5
83167	Total_Formal_Charge	0
91580832	TPSA	58.6
139585999	TPSA	115
10633	Defined_Atom_Stereo_Count	7
11402147	TPSA	26
714	Exact_Mass	795.11012487
48346	Exact_Mass	225.1284273
31393	Hydrogen_Bond_Acceptor_Count	1
16666	TPSA	20.2
60982	TPSA	29.5
11632113	Hydrogen_Bond_Acceptor_Count	7
11512	Molecular_Weight	114.23
16667743	Undefined_Atom_Stereo_Count	0
6433520	Structure_Complexity	385
6950248	Hydrogen_Bond_Donor_Count	1
5280805	Defined_Bond_Stereo_Count	0
564664	Non-hydrogen_Atom_Count	8
22020761	TPSA	18.5
5018304	Undefined_Bond_Stereo_Count	0
6793	Hydrogen_Bond_Donor_Count	2
50983	Defined_Bond_Stereo_Count	0
90937445	Molecular_Weight	905.0
12639	Rotatable_Bond_Count	2
452977	Defined_Atom_Stereo_Count	5
154525053	Molecular_Weight	106.16
119058036	Hydrogen_Bond_Donor_Count	61
319701	Hydrogen_Bond_Acceptor_Count	5
92162	Non-hydrogen_Atom_Count	5
38409	Hydrogen_Bond_Donor_Count	1
8916	Mono_Isotopic_Weight	157.183049738
16040270	XLogP3-AA	2.6
9230	Molecular_Weight	117.15
443732	Exact_Mass	71.073499291
66	TPSA	20.2
23616906	Hydrogen_Bond_Acceptor_Count	5
439778	Defined_Atom_Stereo_Count	0
135413538	TPSA	124
535188	Covalent_Unit_Count	1
148475193	Undefined_Bond_Stereo_Count	0
522041	Covalent_Unit_Count	1
65456803	Defined_Bond_Stereo_Count	0
21517	Molecular_Weight	469.7
1516506	Defined_Bond_Stereo_Count	0
5056739	TPSA	29.5
11578	Tautomer_Count	6
50896	Defined_Bond_Stereo_Count	0
18851	Defined_Atom_Stereo_Count	0
5918	Isotope_Atom_Count	0
5284627	Structure_Complexity	556
3034479	Defined_Atom_Stereo_Count	5
30668	Undefined_Atom_Stereo_Count	1
52949466	Defined_Bond_Stereo_Count	0
83883	Rotatable_Bond_Count	6
140152057	Defined_Atom_Stereo_Count	0
59107469	Total_Formal_Charge	0
11840927	Mono_Isotopic_Weight	228.09324893
72200357	Undefined_Bond_Stereo_Count	0
229851	Hydrogen_Bond_Acceptor_Count	5
11263492	Isotope_Atom_Count	0
20132002	Covalent_Unit_Count	1
78435478	Non-hydrogen_Atom_Count	23
20111	XLogP3	2
12746990	Rotatable_Bond_Count	0
4472	Exact_Mass	298.14297583
6323	TPSA	0
7870	Molecular_Weight	118.17
12078	Undefined_Atom_Stereo_Count	0
15335183	Defined_Bond_Stereo_Count	0
70377524	Undefined_Bond_Stereo_Count	0
25023854	Hydrogen_Bond_Donor_Count	2
684	Molecular_Weight	564.3
49789564	Non-hydrogen_Atom_Count	21
12794196	Covalent_Unit_Count	1
7683	Undefined_Atom_Stereo_Count	0
534922	Covalent_Unit_Count	1
128563	Undefined_Atom_Stereo_Count	0
632910	Defined_Atom_Stereo_Count	0
4078	Undefined_Bond_Stereo_Count	0
129830033	Molecular_Weight	240.56
2059	Non-hydrogen_Atom_Count	25
182069	Undefined_Bond_Stereo_Count	0
6040503	Undefined_Atom_Stereo_Count	0
58270050	Undefined_Bond_Stereo_Count	0
1923	Exact_Mass	145.052763847
12571	Rotatable_Bond_Count	4
917	Exact_Mass	153.10144537
23618032	Tautomer_Count	2
10214	Undefined_Bond_Stereo_Count	0
1982	Rotatable_Bond_Count	3
15561463	Structure_Complexity	62.7
77117	Rotatable_Bond_Count	4
716995	Molecular_Weight	270.33
13909090	Hydrogen_Bond_Donor_Count	1
6868	Exact_Mass	239.02522894
14724482	TPSA	552
10176216	Covalent_Unit_Count	4
151175776	Structure_Complexity	113
91195806	XLogP3-AA	2.1
8685	Rotatable_Bond_Count	6
57441855	Defined_Bond_Stereo_Count	0
35525	Hydrogen_Bond_Donor_Count	0
6469	Undefined_Bond_Stereo_Count	0
10898648	Rotatable_Bond_Count	0
9548590	Hydrogen_Bond_Acceptor_Count	4
436	Undefined_Atom_Stereo_Count	0
16015	Rotatable_Bond_Count	2
72323	Covalent_Unit_Count	1
135473834	Undefined_Bond_Stereo_Count	0
9579252	Undefined_Atom_Stereo_Count	0
135458645	Undefined_Bond_Stereo_Count	3
10329946	Molecular_Weight	181.15
83763	Structure_Complexity	101
68022407	Covalent_Unit_Count	1
130770920	Hydrogen_Bond_Acceptor_Count	2
5387838	Defined_Atom_Stereo_Count	0
36560	Non-hydrogen_Atom_Count	14
27826	Tautomer_Count	1
4942	Isotope_Atom_Count	0
70689350	Hydrogen_Bond_Acceptor_Count	6
825229	Isotope_Atom_Count	0
13112619	Molecular_Weight	85.15
6454351	XLogP3	1.6
62530	Exact_Mass	206.167065321
44368	Hydrogen_Bond_Acceptor_Count	0
65452	Defined_Atom_Stereo_Count	19
25008120	Hydrogen_Bond_Acceptor_Count	15
75460	Structure_Complexity	110
4472	Defined_Atom_Stereo_Count	0
6127	TPSA	0
443939	Total_Formal_Charge	0
93542	Hydrogen_Bond_Acceptor_Count	7
60363	Hydrogen_Bond_Donor_Count	0
71448903	Hydrogen_Bond_Donor_Count	9
688303	Structure_Complexity	388
4421	Hydrogen_Bond_Donor_Count	1
9799942	Total_Formal_Charge	0
15086461	Exact_Mass	108.068748264
6788	Defined_Bond_Stereo_Count	0
9962644	Mono_Isotopic_Weight	842.51400504
10345214	Hydrogen_Bond_Donor_Count	3
119146	Total_Formal_Charge	0
123462301	Covalent_Unit_Count	1
564751	Undefined_Atom_Stereo_Count	0
82234717	Exact_Mass	100.063662883
72652	Exact_Mass	309.09766318
54511	Defined_Bond_Stereo_Count	0
10725321	Rotatable_Bond_Count	2
64463	Non-hydrogen_Atom_Count	18
5363095	Covalent_Unit_Count	1
7647	Non-hydrogen_Atom_Count	14
53835276	Rotatable_Bond_Count	1
11787	Molecular_Weight	178.61
24206429	Tautomer_Count	1
102601816	TPSA	110
78126908	Mono_Isotopic_Weight	472.31887450
91250151	Non-hydrogen_Atom_Count	10
8390	Hydrogen_Bond_Donor_Count	1
441401	Molecular_Weight	337.35
46856340	Covalent_Unit_Count	3
105746	Structure_Complexity	148
21675633	TPSA	9.2
64303	Hydrogen_Bond_Acceptor_Count	3
252281	Total_Formal_Charge	0
5151436	Exact_Mass	96.057514874
14307	Non-hydrogen_Atom_Count	11
10080395	Molecular_Weight	120.58
4895	Non-hydrogen_Atom_Count	29
24822701	Undefined_Atom_Stereo_Count	0
59450	Total_Formal_Charge	1
74370	Isotope_Atom_Count	0
18616638	Exact_Mass	99.068413911
3034450	Non-hydrogen_Atom_Count	10
9806190	Molecular_Weight	505.6
61306	Defined_Bond_Stereo_Count	0
44455045	Hydrogen_Bond_Acceptor_Count	12
5248373	Mono_Isotopic_Weight	114.115698455
4373	XLogP3	0.1
549405	Defined_Atom_Stereo_Count	0
90592	Total_Formal_Charge	0
6919173	Structure_Complexity	240
518234	Isotope_Atom_Count	0
21496049	Defined_Atom_Stereo_Count	0
3000825	Molecular_Weight	324.4
60196260	Exact_Mass	305.18383758
45488111	Defined_Atom_Stereo_Count	0
15420544	Covalent_Unit_Count	1
132306	Defined_Atom_Stereo_Count	0
547935	Covalent_Unit_Count	1
6590	Covalent_Unit_Count	1
5282108	Mono_Isotopic_Weight	192.151415257
11298500	Undefined_Atom_Stereo_Count	0
8299	TPSA	37.3
6918509	XLogP3-AA	3.1
23672302	Molecular_Weight	342.4
8747	Hydrogen_Bond_Acceptor_Count	2
10796706	Rotatable_Bond_Count	2
8509	Hydrogen_Bond_Acceptor_Count	2
2413	Exact_Mass	281.08743528
70355	Tautomer_Count	1
91589	Molecular_Weight	204.65
1548886	Non-hydrogen_Atom_Count	25
5494414	Hydrogen_Bond_Acceptor_Count	7
44620953	Undefined_Atom_Stereo_Count	0
22281424	Hydrogen_Bond_Acceptor_Count	2
2800647	Rotatable_Bond_Count	5
3153	Isotope_Atom_Count	0
6918111	Exact_Mass	328.1917559
66647165	Structure_Complexity	42.8
146558401	Rotatable_Bond_Count	2
101946434	TPSA	0
10473	Molecular_Weight	81.54
25271818	Molecular_Weight	337.4
6920143	Defined_Atom_Stereo_Count	1
5280490	Undefined_Bond_Stereo_Count	0
87140770	Undefined_Atom_Stereo_Count	1
69938	Tautomer_Count	1
34192	Structure_Complexity	213
76564	Total_Formal_Charge	0
28561	TPSA	80
118665446	Isotope_Atom_Count	0
22086042	Total_Formal_Charge	0
22010122	Rotatable_Bond_Count	1
18852	Hydrogen_Bond_Donor_Count	0
13360	Molecular_Weight	130.14
2895	Hydrogen_Bond_Donor_Count	0
6084	Mono_Isotopic_Weight	375.1237359
22221739	Exact_Mass	98.036779430
150679	Mono_Isotopic_Weight	270.08652358
73415816	Exact_Mass	482.0563357
45358055	Mono_Isotopic_Weight	840.37930247
31398	Non-hydrogen_Atom_Count	8
11869222	Molecular_Weight	401.5
601293	Structure_Complexity	160
5288631	Total_Formal_Charge	0
10433	Hydrogen_Bond_Donor_Count	2
82058	Undefined_Bond_Stereo_Count	0
135424354	Tautomer_Count	17
7874	Defined_Atom_Stereo_Count	0
48305	Non-hydrogen_Atom_Count	27
2769	Structure_Complexity	581
48041	Total_Formal_Charge	0
441242	Isotope_Atom_Count	0
90687044	Molecular_Weight	109.13
14245	TPSA	0
20439251	Defined_Bond_Stereo_Count	0
129851046	TPSA	37.3
133084	Hydrogen_Bond_Acceptor_Count	5
15715874	TPSA	52
19918	XLogP3-AA	2.3
54111	Undefined_Bond_Stereo_Count	0
147556052	Mono_Isotopic_Weight	111.104799419
4538	Undefined_Atom_Stereo_Count	1
3664	Undefined_Bond_Stereo_Count	0
5197257	Undefined_Atom_Stereo_Count	2
409535	Total_Formal_Charge	0
5240	Structure_Complexity	42.9
59799570	Non-hydrogen_Atom_Count	25
7386	Rotatable_Bond_Count	0
11263492	XLogP3-AA	2.2
71360804	Covalent_Unit_Count	1
5815211	Covalent_Unit_Count	1
9416	Hydrogen_Bond_Acceptor_Count	3
54676539	Undefined_Bond_Stereo_Count	0
44229079	Defined_Bond_Stereo_Count	1
603711	Exact_Mass	214.07759887
2336	Undefined_Bond_Stereo_Count	0
5484731	Molecular_Weight	461.5
14072448	Mono_Isotopic_Weight	114.042927438
129688356	Hydrogen_Bond_Donor_Count	4
74353448	Hydrogen_Bond_Donor_Count	4
57478179	Undefined_Bond_Stereo_Count	0
21225563	Isotope_Atom_Count	0
93050	Rotatable_Bond_Count	3
17834171	Hydrogen_Bond_Acceptor_Count	2
98044588	Hydrogen_Bond_Acceptor_Count	2
24404	Undefined_Bond_Stereo_Count	0
10234	Defined_Bond_Stereo_Count	0
4996	Undefined_Atom_Stereo_Count	0
2799	Hydrogen_Bond_Donor_Count	1
46943432	XLogP3-AA	2.9
163962080	Covalent_Unit_Count	1
66824709	Undefined_Atom_Stereo_Count	0
629281	TPSA	105
53689772	Molecular_Weight	108.10
194791	Exact_Mass	833.27485046
400185	Defined_Atom_Stereo_Count	0
11377	Defined_Atom_Stereo_Count	0
144021791	Rotatable_Bond_Count	1
77470	Defined_Bond_Stereo_Count	0
11839	Exact_Mass	343.78700
873450	Hydrogen_Bond_Acceptor_Count	4
285725	TPSA	41.5
642110	Hydrogen_Bond_Donor_Count	1
17151	Defined_Atom_Stereo_Count	0
16211656	Undefined_Bond_Stereo_Count	0
71312102	Covalent_Unit_Count	5
10286159	Defined_Atom_Stereo_Count	3
57358267	Defined_Bond_Stereo_Count	0
23725123	Molecular_Weight	350.4
59660022	Hydrogen_Bond_Donor_Count	1
20784398	TPSA	9.2
252139	Rotatable_Bond_Count	4
33728341	Molecular_Weight	113.12
68723	Hydrogen_Bond_Donor_Count	1
13452165	Isotope_Atom_Count	0
2781329	Isotope_Atom_Count	0
694634	Mono_Isotopic_Weight	270.136827821
91711338	Mono_Isotopic_Weight	302.224580195
67795854	Exact_Mass	342.11621151
528166	TPSA	0
6433513	Total_Formal_Charge	0
5459784	Tautomer_Count	1
107917	Undefined_Bond_Stereo_Count	0
72199429	Covalent_Unit_Count	1
156497240	Total_Formal_Charge	0
125098	Defined_Atom_Stereo_Count	0
11573395	Mono_Isotopic_Weight	325.157897619
313444	Non-hydrogen_Atom_Count	11
50142	Molecular_Weight	294.5
87081618	Defined_Bond_Stereo_Count	0
216265	Rotatable_Bond_Count	10
25608	Tautomer_Count	1
10461508	XLogP3-AA	4.6
62253	TPSA	27.7
123479258	Hydrogen_Bond_Acceptor_Count	1
8124	Covalent_Unit_Count	1
70732	Defined_Atom_Stereo_Count	0
59557732	Isotope_Atom_Count	0
12559	Hydrogen_Bond_Acceptor_Count	16
35525	Mono_Isotopic_Weight	166.110613074
53384896	Undefined_Atom_Stereo_Count	13
25130088	Mono_Isotopic_Weight	462.27432435
21466942	Mono_Isotopic_Weight	103.063328530
2795218	Hydrogen_Bond_Donor_Count	1
15547703	Hydrogen_Bond_Acceptor_Count	6
403804	Isotope_Atom_Count	0
12909725	Hydrogen_Bond_Donor_Count	0
444000	Molecular_Weight	564.3
328	Isotope_Atom_Count	0
14148804	XLogP3-AA	1.4
3739682	Non-hydrogen_Atom_Count	24
39425	Covalent_Unit_Count	1
11063855	XLogP3	4.1
89785	TPSA	97.6
122672143	TPSA	9.2
643221	Defined_Bond_Stereo_Count	0
53387026	Undefined_Bond_Stereo_Count	0
3529	Covalent_Unit_Count	1
122522140	Defined_Atom_Stereo_Count	2
398743	Hydrogen_Bond_Donor_Count	1
17740	Defined_Bond_Stereo_Count	0
2912	Defined_Bond_Stereo_Count	0
27519	Covalent_Unit_Count	1
10184774	XLogP3-AA	3.7
3506	Covalent_Unit_Count	1
2588	Covalent_Unit_Count	1
101621557	Hydrogen_Bond_Acceptor_Count	3
19782479	Hydrogen_Bond_Acceptor_Count	2
108054	TPSA	1
9887867	Hydrogen_Bond_Acceptor_Count	2
55281352	Non-hydrogen_Atom_Count	6
44719490	Non-hydrogen_Atom_Count	17
549244	Hydrogen_Bond_Donor_Count	0
12877	Hydrogen_Bond_Acceptor_Count	0
10897645	Defined_Bond_Stereo_Count	0
4849	Isotope_Atom_Count	0
44421047	Mono_Isotopic_Weight	923.48784986
24705	Exact_Mass	236.10840961
23719520	Rotatable_Bond_Count	2
53805787	Undefined_Bond_Stereo_Count	0
4523766	Isotope_Atom_Count	0
206567	Undefined_Atom_Stereo_Count	0
15595455	Isotope_Atom_Count	0
133611834	Total_Formal_Charge	0
29742	Covalent_Unit_Count	1
135412736	Covalent_Unit_Count	1
20095	Hydrogen_Bond_Acceptor_Count	3
9669	Total_Formal_Charge	0
18757800	Molecular_Weight	147.17
16835	Isotope_Atom_Count	0
11867	Total_Formal_Charge	0
53486288	Undefined_Atom_Stereo_Count	1
132031748	Isotope_Atom_Count	0
163429552	Exact_Mass	112.052429494
124770286	Non-hydrogen_Atom_Count	47
10442	Undefined_Bond_Stereo_Count	0
5353495	Hydrogen_Bond_Acceptor_Count	15
916113	XLogP3-AA	1.9
170993	XLogP3-AA	2.4
636399	Undefined_Atom_Stereo_Count	1
13301951	Isotope_Atom_Count	0
56962336	Rotatable_Bond_Count	10
91230338	Isotope_Atom_Count	0
12959090	Molecular_Weight	85.10
5352624	XLogP3	4.8
22486676	Defined_Atom_Stereo_Count	0
5081356	Hydrogen_Bond_Acceptor_Count	12
20701649	Non-hydrogen_Atom_Count	7
10437166	Undefined_Bond_Stereo_Count	0
39546	Structure_Complexity	464
13727	Total_Formal_Charge	0
2104	Structure_Complexity	1410
56911	Rotatable_Bond_Count	1
82273	Total_Formal_Charge	0
83864197	Total_Formal_Charge	0
120057	Undefined_Bond_Stereo_Count	0
3940	Defined_Atom_Stereo_Count	0
134692058	Exact_Mass	448.17333247
154419142	Rotatable_Bond_Count	1
56430	Structure_Complexity	87.9
19864017	Hydrogen_Bond_Acceptor_Count	5
5311211	Hydrogen_Bond_Acceptor_Count	3
123839315	XLogP3-AA	1.3
4017	Hydrogen_Bond_Donor_Count	18
57402652	Exact_Mass	349.0339557
118027	Mono_Isotopic_Weight	140.083729621
23677829	Hydrogen_Bond_Donor_Count	2
8683	Structure_Complexity	189
57398150	Defined_Atom_Stereo_Count	1
9270	Tautomer_Count	1
441276	Undefined_Bond_Stereo_Count	0
5465	XLogP3	2.8
44149909	Undefined_Bond_Stereo_Count	0
42608371	Isotope_Atom_Count	0
5351548	Undefined_Bond_Stereo_Count	0
23675339	Hydrogen_Bond_Acceptor_Count	7
16049450	Molecular_Weight	482.1
33713	Undefined_Atom_Stereo_Count	2
51763	Non-hydrogen_Atom_Count	16
24760653	Rotatable_Bond_Count	5
11614934	Undefined_Bond_Stereo_Count	0
33032	Non-hydrogen_Atom_Count	10
22203	Exact_Mass	324.14739250
31075	Undefined_Bond_Stereo_Count	0
5311236	Total_Formal_Charge	0
2877	Structure_Complexity	330
64627	Mono_Isotopic_Weight	356.22122615
1299	Isotope_Atom_Count	0
5281899	Isotope_Atom_Count	0
16212960	Undefined_Bond_Stereo_Count	0
16217327	Molecular_Weight	171.41
162918377	Defined_Bond_Stereo_Count	1
27448	Exact_Mass	438.76997
554	Structure_Complexity	148
13144653	Defined_Bond_Stereo_Count	0
135618566	Covalent_Unit_Count	1
5787	Undefined_Atom_Stereo_Count	0
231360	Defined_Bond_Stereo_Count	0
53245646	XLogP3-AA	3.1
63989	Defined_Atom_Stereo_Count	0
5370664	XLogP3	1
9104	Total_Formal_Charge	0
80296	Hydrogen_Bond_Acceptor_Count	10
68322079	Molecular_Weight	353.4
189594	TPSA	23.5
135446965	Non-hydrogen_Atom_Count	33
94791	Total_Formal_Charge	0
22081030	Mono_Isotopic_Weight	111.032028402
2810830	Defined_Bond_Stereo_Count	0
10299876	Structure_Complexity	492
154518019	Exact_Mass	82.053098200
15062870	TPSA	41.1
590581	Hydrogen_Bond_Donor_Count	0
53870634	Total_Formal_Charge	0
542352	Defined_Atom_Stereo_Count	0
564184	TPSA	47.6
22096568	Mono_Isotopic_Weight	63.02684640
20087	Isotope_Atom_Count	0
156410	Total_Formal_Charge	0
49862626	TPSA	57.8
398652	Exact_Mass	429.16885622
44387934	Defined_Bond_Stereo_Count	0
13684981	Mono_Isotopic_Weight	104.047344113
15614042	Defined_Bond_Stereo_Count	0
11520894	Structure_Complexity	1940
3037261	Mono_Isotopic_Weight	233.05104977
135570470	Hydrogen_Bond_Acceptor_Count	16
12754184	Mono_Isotopic_Weight	97.089149355
25245437	Structure_Complexity	1280
73801102	TPSA	46.2
61235	Covalent_Unit_Count	1
91572	Hydrogen_Bond_Acceptor_Count	4
14382273	Molecular_Weight	116.16
71905	Non-hydrogen_Atom_Count	19
39722	Molecular_Weight	255.74
69332648	Exact_Mass	112.063662883
25133630	Undefined_Bond_Stereo_Count	0
42754	Covalent_Unit_Count	1
9888075	Covalent_Unit_Count	2
10419146	Molecular_Weight	112.17
643544	Structure_Complexity	80.2
51256	TPSA	0
13229	Isotope_Atom_Count	0
226274	Molecular_Weight	113.16
13306877	Structure_Complexity	82.6
53735	Isotope_Atom_Count	0
9849925	Undefined_Bond_Stereo_Count	0
87532	Hydrogen_Bond_Donor_Count	0
31370	Isotope_Atom_Count	0
47721	Exact_Mass	274.172150702
20226552	Rotatable_Bond_Count	0
693165	Hydrogen_Bond_Acceptor_Count	3
334657	Undefined_Atom_Stereo_Count	0
222155	Mono_Isotopic_Weight	548.29853298
67975127	Undefined_Bond_Stereo_Count	0
14265921	Defined_Bond_Stereo_Count	0
10176082	Defined_Bond_Stereo_Count	0
36084	Structure_Complexity	296
163900	Molecular_Weight	132.16
80076	Mono_Isotopic_Weight	92.0028925
134018	Mono_Isotopic_Weight	316.08816355
21591456	Non-hydrogen_Atom_Count	16
528405	Rotatable_Bond_Count	1
6435824	Structure_Complexity	125
12673086	Non-hydrogen_Atom_Count	14
186114	Tautomer_Count	2
135491728	Total_Formal_Charge	0
146156882	Undefined_Bond_Stereo_Count	0
12209630	Isotope_Atom_Count	0
642765	Non-hydrogen_Atom_Count	8
3245	Undefined_Bond_Stereo_Count	0
70484261	Rotatable_Bond_Count	0
6407	Hydrogen_Bond_Donor_Count	0
91657	Tautomer_Count	6
9862936	Undefined_Bond_Stereo_Count	0
76356	Structure_Complexity	211
439165	TPSA	157
70377524	Defined_Atom_Stereo_Count	0
909750	Molecular_Weight	341.4
11732	Undefined_Atom_Stereo_Count	1
5280863	Defined_Atom_Stereo_Count	0
6947362	Mono_Isotopic_Weight	322.168127949
572516	Defined_Bond_Stereo_Count	0
3813	Defined_Bond_Stereo_Count	0
61346	Isotope_Atom_Count	0
6257	Defined_Atom_Stereo_Count	0
25000	Exact_Mass	182.908829
8994	Undefined_Bond_Stereo_Count	0
56646651	Non-hydrogen_Atom_Count	26
56649463	Total_Formal_Charge	0
519112	Defined_Atom_Stereo_Count	0
27553	Covalent_Unit_Count	1
5319022	Mono_Isotopic_Weight	190.099379685
9864348	Isotope_Atom_Count	0
5375	Defined_Atom_Stereo_Count	0
9794842	Hydrogen_Bond_Acceptor_Count	2
59252	Undefined_Bond_Stereo_Count	0
126961192	Rotatable_Bond_Count	11
30220	Non-hydrogen_Atom_Count	9
8264	Exact_Mass	154.06712817
141411141	Isotope_Atom_Count	0
21859	Defined_Bond_Stereo_Count	0
35785	Hydrogen_Bond_Donor_Count	0
4224596	Defined_Bond_Stereo_Count	0
10461263	Rotatable_Bond_Count	13
66141	Undefined_Bond_Stereo_Count	0
5313082	Rotatable_Bond_Count	36
13050985	Undefined_Atom_Stereo_Count	1
85943658	Total_Formal_Charge	0
82322	Structure_Complexity	80.5
54901	Defined_Bond_Stereo_Count	0
441261	Structure_Complexity	615
10901	Covalent_Unit_Count	1
25072741	Molecular_Weight	431.4
64107	Isotope_Atom_Count	0
41663	Isotope_Atom_Count	0
81530	Defined_Bond_Stereo_Count	0
69860	Isotope_Atom_Count	0
10099005	Structure_Complexity	983
72253	Defined_Bond_Stereo_Count	0
73913	Hydrogen_Bond_Acceptor_Count	5
56593143	Rotatable_Bond_Count	7
54585032	Mono_Isotopic_Weight	211.063328530
53302285	Non-hydrogen_Atom_Count	7
200734	Mono_Isotopic_Weight	118.099379685
94222	TPSA	52.3
11777341	Defined_Bond_Stereo_Count	0
26124	Undefined_Atom_Stereo_Count	0
94744	Molecular_Weight	117.15
34154	Isotope_Atom_Count	0
139080230	Defined_Bond_Stereo_Count	2
71451930	XLogP3-AA	4.3
20200448	Molecular_Weight	112.13
25263111	Defined_Atom_Stereo_Count	0
16664362	Hydrogen_Bond_Acceptor_Count	4
2105	Exact_Mass	189.07495584
137326482	Defined_Bond_Stereo_Count	0
12848394	TPSA	36.3
17845829	Mono_Isotopic_Weight	113.058911855
11430856	Undefined_Atom_Stereo_Count	0
11957696	Mono_Isotopic_Weight	439.13582
6918524	Defined_Bond_Stereo_Count	0
440959	Mono_Isotopic_Weight	161.06880783
6659	Defined_Atom_Stereo_Count	0
4382	Non-hydrogen_Atom_Count	12
21144838	Structure_Complexity	320
37137	Hydrogen_Bond_Acceptor_Count	9
151117	Hydrogen_Bond_Acceptor_Count	7
92851	Defined_Atom_Stereo_Count	1
82593536	Mono_Isotopic_Weight	102.068079557
9983746	Exact_Mass	254.094294304
58189	Total_Formal_Charge	0
54033586	Exact_Mass	112.088815002
2092	Defined_Bond_Stereo_Count	0
680	Covalent_Unit_Count	1
9810601	Hydrogen_Bond_Acceptor_Count	14
57340467	Defined_Bond_Stereo_Count	0
3434	Defined_Bond_Stereo_Count	0
5462077	Molecular_Weight	272.39
15650	Molecular_Weight	98.14
13439	Hydrogen_Bond_Donor_Count	0
5310983	Isotope_Atom_Count	0
71115	Hydrogen_Bond_Acceptor_Count	2
2761399	Undefined_Atom_Stereo_Count	0
449355	TPSA	102
130054486	Undefined_Atom_Stereo_Count	1
62416539	XLogP3-AA	0.5
500	Defined_Atom_Stereo_Count	0
135989	Molecular_Weight	82.14
44353367	Exact_Mass	344.0119330
349902	Covalent_Unit_Count	1
564864	Rotatable_Bond_Count	2
199605	Defined_Atom_Stereo_Count	1
13896532	Isotope_Atom_Count	0
30959	Defined_Atom_Stereo_Count	0
12136798	Covalent_Unit_Count	1
15206928	Isotope_Atom_Count	0
17937355	TPSA	29.5
131810	Rotatable_Bond_Count	18
5365589	Undefined_Bond_Stereo_Count	0
40466900	Mono_Isotopic_Weight	411.19601972
53759539	Molecular_Weight	270.25
16050553	Mono_Isotopic_Weight	381.24162724
154824336	Undefined_Bond_Stereo_Count	0
17355	Rotatable_Bond_Count	3
347476	Structure_Complexity	70.9
9843089	Tautomer_Count	1
156212	Mono_Isotopic_Weight	310.930761
21356	Molecular_Weight	204.01
14578458	Exact_Mass	101.084063974
44590517	Non-hydrogen_Atom_Count	34
5547	Defined_Bond_Stereo_Count	0
15204529	XLogP3-AA	1.1
76344	Rotatable_Bond_Count	4
21136466	Total_Formal_Charge	0
118855904	Rotatable_Bond_Count	1
6918335	Rotatable_Bond_Count	11
644241	Hydrogen_Bond_Donor_Count	2
614100	Mono_Isotopic_Weight	254.130679813
47024	Hydrogen_Bond_Acceptor_Count	3
22166430	Undefined_Atom_Stereo_Count	0
13134933	Undefined_Atom_Stereo_Count	0
12828792	TPSA	33
10432339	Covalent_Unit_Count	1
174251	Non-hydrogen_Atom_Count	49
13286	Hydrogen_Bond_Acceptor_Count	6
13853	Exact_Mass	86.073164938
135974	TPSA	0
660	Hydrogen_Bond_Acceptor_Count	2
23681141	Defined_Bond_Stereo_Count	0
10658	TPSA	39.4
24434	Exact_Mass	100.95152435
10431444	Covalent_Unit_Count	1
40927	TPSA	53.1
54169147	Non-hydrogen_Atom_Count	8
75606	Structure_Complexity	80.2
2211	Isotope_Atom_Count	0
8491	Covalent_Unit_Count	1
265370	Covalent_Unit_Count	1
131254	Structure_Complexity	729
13556	Hydrogen_Bond_Acceptor_Count	0
10048368	Exact_Mass	431.07575
118176200	XLogP3-AA	0.1
859783	Undefined_Atom_Stereo_Count	0
12636255	TPSA	32.8
4356	Defined_Bond_Stereo_Count	0
6770	Total_Formal_Charge	0
6839	Defined_Bond_Stereo_Count	0
2280	TPSA	178
449035	Defined_Bond_Stereo_Count	0
71158	Isotope_Atom_Count	0
42208	Structure_Complexity	716
3008	Hydrogen_Bond_Donor_Count	0
40240	Undefined_Atom_Stereo_Count	0
5282517	Total_Formal_Charge	0
216293	Molecular_Weight	812.4
96380	Non-hydrogen_Atom_Count	15
441558	Defined_Atom_Stereo_Count	2
10975436	Rotatable_Bond_Count	0
5795	Isotope_Atom_Count	0
88482362	Structure_Complexity	182
17945614	Covalent_Unit_Count	1
127036839	Structure_Complexity	304
75598	Exact_Mass	151.063328530
134694117	Undefined_Atom_Stereo_Count	1
16547	Mono_Isotopic_Weight	210.05282342
11774	Molecular_Weight	440.3
168924	Total_Formal_Charge	0
5834	Undefined_Atom_Stereo_Count	0
105426997	Rotatable_Bond_Count	1
54278701	XLogP3-AA	2.5
10102	Rotatable_Bond_Count	0
24838350	Mono_Isotopic_Weight	1058.31784
71755913	TPSA	53.2
11664966	Undefined_Bond_Stereo_Count	0
7969	Exact_Mass	110.01902136
4132	Undefined_Atom_Stereo_Count	5
2244	Exact_Mass	180.04225873
9818287	Rotatable_Bond_Count	6
23714994	Defined_Bond_Stereo_Count	1
3035218	Hydrogen_Bond_Donor_Count	7
40475	Molecular_Weight	395.3
231360	Structure_Complexity	81.8
31877	Defined_Atom_Stereo_Count	0
17231	TPSA	46.5
2531445	Undefined_Atom_Stereo_Count	0
561780	Structure_Complexity	118
3052	Rotatable_Bond_Count	2
20055008	Defined_Atom_Stereo_Count	7
56840987	Defined_Atom_Stereo_Count	6
8763	Undefined_Atom_Stereo_Count	0
30545	Covalent_Unit_Count	1
12531954	Mono_Isotopic_Weight	112.063662883
200213	Total_Formal_Charge	0
23696271	Undefined_Bond_Stereo_Count	0
2336	Defined_Atom_Stereo_Count	0
148184	TPSA	46.1
27712	Covalent_Unit_Count	1
5280497	Non-hydrogen_Atom_Count	25
23106685	Exact_Mass	101.084063974
67591	Molecular_Weight	180.16
57190391	Covalent_Unit_Count	1
73233	Covalent_Unit_Count	1
57398253	Undefined_Atom_Stereo_Count	0
2641	Isotope_Atom_Count	0
90581	Non-hydrogen_Atom_Count	6
55288363	TPSA	29.1
92877	Exact_Mass	276.245315640
53701761	Defined_Bond_Stereo_Count	0
2761815	Hydrogen_Bond_Donor_Count	2
40127	Tautomer_Count	3
18150	Molecular_Weight	120.58
9920369	Hydrogen_Bond_Acceptor_Count	2
5464027	Tautomer_Count	3
43032	Hydrogen_Bond_Acceptor_Count	3
45008	Isotope_Atom_Count	0
121493082	Molecular_Weight	6435
11957587	TPSA	170
228397	Defined_Bond_Stereo_Count	0
14671580	Molecular_Weight	114.19
9475	Exact_Mass	131.094628657
71311204	Molecular_Weight	376.95
9547150	Non-hydrogen_Atom_Count	64
610072	Molecular_Weight	222.37
56033	Tautomer_Count	5
123769339	Hydrogen_Bond_Donor_Count	1
640759	Molecular_Weight	131.17
71112644	Total_Formal_Charge	0
6978	XLogP3	2
123966800	Molecular_Weight	111.10
14151226	TPSA	20.3
12942137	Non-hydrogen_Atom_Count	21
410806	Isotope_Atom_Count	0
6918653	Undefined_Bond_Stereo_Count	0
44719848	Hydrogen_Bond_Acceptor_Count	1
235303	Hydrogen_Bond_Donor_Count	1
9883002	Covalent_Unit_Count	1
89760664	Undefined_Atom_Stereo_Count	0
452548	Hydrogen_Bond_Acceptor_Count	14
2329	Mono_Isotopic_Weight	404.13722174
44258737	Total_Formal_Charge	0
123668737	TPSA	58.3
5483631	Non-hydrogen_Atom_Count	1
42599603	TPSA	86
101611446	Hydrogen_Bond_Acceptor_Count	0
57104	TPSA	104
24401	Mono_Isotopic_Weight	118.917702
444455	Exact_Mass	463.19883619
70637	Non-hydrogen_Atom_Count	12
69480	Rotatable_Bond_Count	4
191468	Undefined_Bond_Stereo_Count	0
14030006	Mono_Isotopic_Weight	932.76803489
54613184	Hydrogen_Bond_Acceptor_Count	10
5650	Non-hydrogen_Atom_Count	32
123268	Tautomer_Count	1
52949543	Molecular_Weight	439.4
96776	Covalent_Unit_Count	1
68943	Molecular_Weight	291.4
4995	Non-hydrogen_Atom_Count	9
3301	Hydrogen_Bond_Donor_Count	2
50914976	Structure_Complexity	535
497300	Defined_Bond_Stereo_Count	0
10414810	Mono_Isotopic_Weight	536.13412551
67828	Total_Formal_Charge	0
14094187	Undefined_Bond_Stereo_Count	0
19846	Structure_Complexity	52.5
68713	Molecular_Weight	255.31
10111264	Hydrogen_Bond_Acceptor_Count	5
15842094	Exact_Mass	705.63912
37678	Total_Formal_Charge	0
66992840	Undefined_Bond_Stereo_Count	0
6141	Molecular_Weight	340.3
96421	Total_Formal_Charge	0
25153273	Non-hydrogen_Atom_Count	11
14410	Undefined_Bond_Stereo_Count	0
22219016	Total_Formal_Charge	0
118104	XLogP3-AA	0.5
3000668	Undefined_Atom_Stereo_Count	1
95496	Molecular_Weight	195.20
90431674	Defined_Bond_Stereo_Count	0
84923	Defined_Atom_Stereo_Count	0
207	Undefined_Bond_Stereo_Count	0
90916291	Isotope_Atom_Count	0
94781	Tautomer_Count	1
71209	Total_Formal_Charge	0
104883	TPSA	0
132367	Hydrogen_Bond_Acceptor_Count	4
9995236	Undefined_Bond_Stereo_Count	0
199480	Undefined_Bond_Stereo_Count	0
41211	Undefined_Bond_Stereo_Count	0
11539725	Total_Formal_Charge	0
53232451	Structure_Complexity	513
4740	Exact_Mass	278.13789045
9830317	Tautomer_Count	1
71545	Isotope_Atom_Count	0
10261049	Undefined_Bond_Stereo_Count	0
126981343	Exact_Mass	114.104465066
67108207	Non-hydrogen_Atom_Count	21
59270	Molecular_Weight	402.3
627867	Molecular_Weight	306.4
135444614	Rotatable_Bond_Count	7
57417608	Undefined_Bond_Stereo_Count	0
6918078	Structure_Complexity	402
124246	Structure_Complexity	665
134687781	Mono_Isotopic_Weight	803.48197664
26651	Defined_Bond_Stereo_Count	0
83960	Rotatable_Bond_Count	8
16219856	Covalent_Unit_Count	2
111026	Undefined_Atom_Stereo_Count	1
87187299	Total_Formal_Charge	0
2218	Defined_Bond_Stereo_Count	0
6360	XLogP3-AA	2.1
34457	Hydrogen_Bond_Donor_Count	2
555949	Undefined_Atom_Stereo_Count	2
157955	Defined_Bond_Stereo_Count	0
12636118	Defined_Bond_Stereo_Count	0
6769	Hydrogen_Bond_Donor_Count	1
104975	XLogP3-AA	2.6
177168	Total_Formal_Charge	0
57399426	Rotatable_Bond_Count	7
441276	Defined_Atom_Stereo_Count	10
33353	TPSA	83.1
141315890	Defined_Bond_Stereo_Count	0
14505	Exact_Mass	110.036779430
25008940	Non-hydrogen_Atom_Count	36
20772203	TPSA	41.5
9919816	Undefined_Atom_Stereo_Count	0
53404864	Exact_Mass	100.088815002
15480320	Mono_Isotopic_Weight	257.99075
138394156	Hydrogen_Bond_Acceptor_Count	8
102242	Non-hydrogen_Atom_Count	22
60303	Non-hydrogen_Atom_Count	25
41870	Molecular_Weight	280.28
59814883	Exact_Mass	110.073164938
57061367	Total_Formal_Charge	0
558359	Defined_Atom_Stereo_Count	0
3922	Structure_Complexity	591
22170205	Hydrogen_Bond_Acceptor_Count	5
8713	Mono_Isotopic_Weight	125.02992040
11915	Undefined_Bond_Stereo_Count	0
44297456	Hydrogen_Bond_Acceptor_Count	9
97698	Hydrogen_Bond_Donor_Count	0
9168	Undefined_Bond_Stereo_Count	0
133562737	TPSA	161
124072	Exact_Mass	372.15728848
2274	Undefined_Atom_Stereo_Count	2
60196377	Hydrogen_Bond_Acceptor_Count	2
73795	Covalent_Unit_Count	1
21618	Molecular_Weight	104.10
102358067	Hydrogen_Bond_Donor_Count	0
7348	Non-hydrogen_Atom_Count	19
5282451	Defined_Atom_Stereo_Count	4
440864	Exact_Mass	104.047344113
146887978	Isotope_Atom_Count	0
10899025	Defined_Bond_Stereo_Count	0
236	TPSA	106
55284153	Mono_Isotopic_Weight	112.074896272
44195571	Total_Formal_Charge	0
65914	Tautomer_Count	4
106999	Defined_Bond_Stereo_Count	0
11378454	Defined_Bond_Stereo_Count	0
123451	Total_Formal_Charge	0
493082	Hydrogen_Bond_Acceptor_Count	6
123799979	Total_Formal_Charge	0
4532218	Molecular_Weight	106.19
98949	Undefined_Atom_Stereo_Count	3
23581798	Non-hydrogen_Atom_Count	24
14416477	XLogP3-AA	2.1
24672	Exact_Mass	432.99260866
2520	Mono_Isotopic_Weight	454.28315770
129830140	Non-hydrogen_Atom_Count	15
6858006	Molecular_Weight	873.1
44422352	Defined_Bond_Stereo_Count	0
7499	Exact_Mass	108.093900383
45026	Mono_Isotopic_Weight	293.16270821
3080719	Isotope_Atom_Count	0
3114	Exact_Mass	339.231062557
3082718	Exact_Mass	390.1265688
22979	Mono_Isotopic_Weight	487.11279790
7527	Isotope_Atom_Count	0
53464	XLogP3	3.7
96237	Molecular_Weight	286.3
62240	XLogP3-AA	4.1
841083	Defined_Atom_Stereo_Count	0
26964	Defined_Bond_Stereo_Count	0
89646	Defined_Atom_Stereo_Count	0
59503411	TPSA	110
6918988	Isotope_Atom_Count	0
135297777	Structure_Complexity	733
72200038	Isotope_Atom_Count	0
20385080	Non-hydrogen_Atom_Count	8
22002061	Covalent_Unit_Count	1
20061	Undefined_Bond_Stereo_Count	0
89479318	Rotatable_Bond_Count	0
6973628	Isotope_Atom_Count	0
90453	Undefined_Bond_Stereo_Count	0
53803	Covalent_Unit_Count	2
24180719	Mono_Isotopic_Weight	413.0412465
493	Hydrogen_Bond_Acceptor_Count	21
4560140	Covalent_Unit_Count	1
9854073	Structure_Complexity	1690
118210311	Exact_Mass	110.011627311
7225	Molecular_Weight	133.15
11638363	Defined_Bond_Stereo_Count	0
9847494	Isotope_Atom_Count	0
67713	Rotatable_Bond_Count	1
10517	Structure_Complexity	404
36342	Total_Formal_Charge	0
165879	Rotatable_Bond_Count	2
76189844	TPSA	116
21466713	TPSA	60.2
271792	Covalent_Unit_Count	1
13668	Hydrogen_Bond_Donor_Count	3
36604	XLogP3	2.1
67591	Covalent_Unit_Count	1
2733708	Defined_Bond_Stereo_Count	0
6328	Tautomer_Count	1
96261	XLogP3	3
86170	Tautomer_Count	1
57645443	TPSA	110
558521	Covalent_Unit_Count	1
25133630	Defined_Atom_Stereo_Count	0
16739648	Hydrogen_Bond_Acceptor_Count	3
3739682	Undefined_Atom_Stereo_Count	0
22349965	Undefined_Bond_Stereo_Count	0
11126249	Mono_Isotopic_Weight	124.088815002
54585641	Undefined_Atom_Stereo_Count	0
3081	Undefined_Atom_Stereo_Count	0
69627068	Non-hydrogen_Atom_Count	8
20379467	Structure_Complexity	81.8
101088599	Defined_Bond_Stereo_Count	2
10345214	Defined_Bond_Stereo_Count	0
15178985	Undefined_Bond_Stereo_Count	0
36190	Hydrogen_Bond_Donor_Count	0
136378	Mono_Isotopic_Weight	68.062600255
12823444	XLogP3	2.3
8168	Non-hydrogen_Atom_Count	15
8298	Exact_Mass	142.135765193
598777	Undefined_Bond_Stereo_Count	0
23669619	Defined_Bond_Stereo_Count	0
18728	Undefined_Atom_Stereo_Count	4
446600	Non-hydrogen_Atom_Count	23
5833	Exact_Mass	416.20213067
1089	Total_Formal_Charge	0
9916282	Molecular_Weight	580.7
441254	Isotope_Atom_Count	0
5319754	Exact_Mass	98.073164938
391	TPSA	113
2982	Structure_Complexity	643
37933	Rotatable_Bond_Count	11
13808253	Molecular_Weight	100.12
57328385	Isotope_Atom_Count	0
12180	Isotope_Atom_Count	0
3486	Structure_Complexity	569
5287596	Non-hydrogen_Atom_Count	31
6537503	Defined_Atom_Stereo_Count	0
11354711	Defined_Atom_Stereo_Count	13
140519105	Hydrogen_Bond_Acceptor_Count	2
452110	Undefined_Atom_Stereo_Count	0
150067	Rotatable_Bond_Count	2
4984721	Defined_Bond_Stereo_Count	0
8509	Undefined_Atom_Stereo_Count	0
400769	Rotatable_Bond_Count	2
49597	Molecular_Weight	311.76
7309	Non-hydrogen_Atom_Count	13
130035101	Mono_Isotopic_Weight	112.052429494
40473404	Total_Formal_Charge	0
96706	Exact_Mass	112.027277375
21575	Mono_Isotopic_Weight	181.03750770
72402	Mono_Isotopic_Weight	363.12190603
5459910	Mono_Isotopic_Weight	297.13649347
13528037	Rotatable_Bond_Count	7
6919629	Defined_Bond_Stereo_Count	0
102724	Defined_Bond_Stereo_Count	0
21900379	Rotatable_Bond_Count	4
124969	Rotatable_Bond_Count	4
11263471	Undefined_Bond_Stereo_Count	0
71571512	Covalent_Unit_Count	1
70683024	Hydrogen_Bond_Donor_Count	12
9927058	Undefined_Bond_Stereo_Count	0
139488	Tautomer_Count	2
106705	Undefined_Bond_Stereo_Count	0
144702	Total_Formal_Charge	0
135412609	Undefined_Bond_Stereo_Count	0
54151808	Undefined_Bond_Stereo_Count	0
15910	Isotope_Atom_Count	0
1864	Exact_Mass	248.11609238
22091031	Covalent_Unit_Count	1
12117	Non-hydrogen_Atom_Count	16
14029616	Molecular_Weight	168.28
73759973	Molecular_Weight	544.5
44392167	Non-hydrogen_Atom_Count	37
184821	Tautomer_Count	2
54493752	Covalent_Unit_Count	1
26091	Tautomer_Count	1
444237	Structure_Complexity	2230
123373137	Molecular_Weight	301.36
14151226	Non-hydrogen_Atom_Count	8
65731	Non-hydrogen_Atom_Count	20
5281650	Defined_Bond_Stereo_Count	0
2763078	Undefined_Bond_Stereo_Count	0
191841	Total_Formal_Charge	0
14245	Hydrogen_Bond_Donor_Count	0
46214236	Structure_Complexity	1660
18787	Mono_Isotopic_Weight	226.110613074
12398	Covalent_Unit_Count	1
445063	Molecular_Weight	309.27
11337	Hydrogen_Bond_Donor_Count	6
665263	Defined_Bond_Stereo_Count	0
42580058	Exact_Mass	342.11621151
226147	Non-hydrogen_Atom_Count	18
4627783	Undefined_Bond_Stereo_Count	0
71115	Undefined_Bond_Stereo_Count	0
21252133	Exact_Mass	114.104465066
9816483	Hydrogen_Bond_Acceptor_Count	3
247769	Hydrogen_Bond_Donor_Count	1
3740	Molecular_Weight	1215.8
124013	Defined_Atom_Stereo_Count	0
57391652	Hydrogen_Bond_Acceptor_Count	11
46203139	Hydrogen_Bond_Acceptor_Count	10
686703	Hydrogen_Bond_Acceptor_Count	3
3081	Defined_Atom_Stereo_Count	0
67811115	Hydrogen_Bond_Acceptor_Count	2
118984411	Hydrogen_Bond_Donor_Count	1
74040195	Total_Formal_Charge	0
448	XLogP3	0.9
135765350	TPSA	53.5
17171354	Exact_Mass	114.079312947
96135	Isotope_Atom_Count	0
8631	Defined_Bond_Stereo_Count	0
9929785	TPSA	78.4
70922	Molecular_Weight	88.07
9930448	Non-hydrogen_Atom_Count	28
97032	TPSA	40.5
447	Undefined_Atom_Stereo_Count	0
85944292	Isotope_Atom_Count	0
11315446	Undefined_Atom_Stereo_Count	0
68260833	Isotope_Atom_Count	0
10966200	Undefined_Bond_Stereo_Count	0
71309905	Hydrogen_Bond_Donor_Count	5
12550332	Exact_Mass	101.047678466
107838	Rotatable_Bond_Count	0
7282	TPSA	0
9991	Isotope_Atom_Count	0
77456	Hydrogen_Bond_Donor_Count	0
122767	Mono_Isotopic_Weight	287.07834094
7285	Isotope_Atom_Count	0
93858	Defined_Atom_Stereo_Count	0
5858	Defined_Atom_Stereo_Count	6
337359	Exact_Mass	236.05972032
3230	TPSA	74.6
5315244	Hydrogen_Bond_Acceptor_Count	12
92950	Exact_Mass	158.178298710
87653	XLogP3-AA	0.3
20192394	Hydrogen_Bond_Acceptor_Count	3
30487	Undefined_Bond_Stereo_Count	0
91272	Undefined_Bond_Stereo_Count	0
2741	Hydrogen_Bond_Donor_Count	1
154689	XLogP3-AA	2.9
175915	Exact_Mass	250.07537038
163201191	Defined_Atom_Stereo_Count	0
122361528	Structure_Complexity	1830
1481733	Hydrogen_Bond_Donor_Count	2
8554	Exact_Mass	194.05790880
39212	Mono_Isotopic_Weight	491.18793473
94811	Non-hydrogen_Atom_Count	6
18377249	TPSA	26
637584	Covalent_Unit_Count	1
52940810	Hydrogen_Bond_Acceptor_Count	5
71597391	Total_Formal_Charge	0
8272	Undefined_Atom_Stereo_Count	0
54317152	Mono_Isotopic_Weight	112.063662883
2392	Total_Formal_Charge	0
44339155	Exact_Mass	458.22392874
517072	TPSA	49.4
16224	XLogP3	4.2
28459	Non-hydrogen_Atom_Count	12
599225	Defined_Bond_Stereo_Count	0
76739	Isotope_Atom_Count	0
25160	Covalent_Unit_Count	1
78293	Defined_Atom_Stereo_Count	0
5460094	Structure_Complexity	756
3220	Molecular_Weight	270.24
1505	Total_Formal_Charge	1
5352728	TPSA	75.9
128815	Hydrogen_Bond_Acceptor_Count	8
89976681	Mono_Isotopic_Weight	107.037113783
2972	Mono_Isotopic_Weight	139.063328530
10610	XLogP3-AA	3.3
13917884	Mono_Isotopic_Weight	101.047678466
91176619	Defined_Bond_Stereo_Count	0
24865264	Non-hydrogen_Atom_Count	33
20654321	Undefined_Atom_Stereo_Count	2
16130199	Mono_Isotopic_Weight	4489.1866445
213013	Covalent_Unit_Count	1
3011527	Undefined_Atom_Stereo_Count	5
129320263	Exact_Mass	337.05798562
27979	XLogP3-AA	1.4
53693313	Hydrogen_Bond_Acceptor_Count	2
16215	Isotope_Atom_Count	0
10564696	Tautomer_Count	1
123969077	Structure_Complexity	90.6
5326751	Molecular_Weight	568.3
117633116	Exact_Mass	180.06338810
12304	Exact_Mass	102.104465066
118435360	Rotatable_Bond_Count	5
11332503	Tautomer_Count	1
446094	Molecular_Weight	154.3
7017101	Hydrogen_Bond_Donor_Count	0
824060	Undefined_Bond_Stereo_Count	0
130804	Rotatable_Bond_Count	8
13584550	TPSA	17.1
6042	Mono_Isotopic_Weight	300.0811600
101180753	Covalent_Unit_Count	1
23677058	Hydrogen_Bond_Acceptor_Count	3
667449	Molecular_Weight	324.4
56848	XLogP3-AA	4.2
60287	Exact_Mass	263.188529040
14926954	Undefined_Bond_Stereo_Count	0
158895	Exact_Mass	338.12665706
33728341	Covalent_Unit_Count	1
535795	Isotope_Atom_Count	0
457801	Mono_Isotopic_Weight	414.386166214
3316	Total_Formal_Charge	0
16097	Exact_Mass	181.03750770
15008	Molecular_Weight	196.20
58173	Hydrogen_Bond_Acceptor_Count	3
57391458	Hydrogen_Bond_Acceptor_Count	6
10193406	Hydrogen_Bond_Acceptor_Count	4
68195	Hydrogen_Bond_Donor_Count	2
18410302	Defined_Atom_Stereo_Count	0
12699188	Hydrogen_Bond_Donor_Count	2
8067	Hydrogen_Bond_Acceptor_Count	1
122706485	Exact_Mass	2166.9705054
398641	Total_Formal_Charge	0
80281	Rotatable_Bond_Count	17
133121364	Undefined_Atom_Stereo_Count	3
11409972	Rotatable_Bond_Count	8
54077	Total_Formal_Charge	0
23581798	Undefined_Bond_Stereo_Count	0
3461	TPSA	108
522996	XLogP3-AA	3.3
67412	Hydrogen_Bond_Acceptor_Count	2
22065792	Defined_Bond_Stereo_Count	0
62445	TPSA	26.3
11469055	Hydrogen_Bond_Donor_Count	0
27661	Exact_Mass	191.04298701
9813985	Structure_Complexity	327
92180	Non-hydrogen_Atom_Count	15
11865423	Non-hydrogen_Atom_Count	25
66733	Defined_Bond_Stereo_Count	0
7530950	Defined_Atom_Stereo_Count	3
20190406	Non-hydrogen_Atom_Count	8
3631	Non-hydrogen_Atom_Count	19
90181814	Total_Formal_Charge	0
44190553	Rotatable_Bond_Count	2
23649154	Isotope_Atom_Count	0
136892	Tautomer_Count	2
10176108	Covalent_Unit_Count	1
88483174	Defined_Bond_Stereo_Count	0
12184591	Undefined_Atom_Stereo_Count	0
62143	Non-hydrogen_Atom_Count	11
66992840	Undefined_Atom_Stereo_Count	0
57341	Rotatable_Bond_Count	4
57401370	Total_Formal_Charge	0
13462200	Hydrogen_Bond_Donor_Count	1
18470	Hydrogen_Bond_Acceptor_Count	0
320930	Structure_Complexity	444
11423561	Hydrogen_Bond_Acceptor_Count	1
70754	Total_Formal_Charge	0
56033	TPSA	117
12544003	Molecular_Weight	100.16
7079	Molecular_Weight	269.29
16050551	Exact_Mass	367.22597718
141011968	Mono_Isotopic_Weight	107.02319505
14535399	Mono_Isotopic_Weight	106.9899821
9548619	Isotope_Atom_Count	0
69903	Exact_Mass	207.08954328
98651	Rotatable_Bond_Count	3
10378638	Covalent_Unit_Count	1
6723	XLogP3-AA	0.1
72392	Mono_Isotopic_Weight	322.18523456
52949373	Covalent_Unit_Count	1
68026923	Non-hydrogen_Atom_Count	7
5625	Structure_Complexity	749
118705388	Exact_Mass	460.1565488
72148	Exact_Mass	333.15512091
2734941	Exact_Mass	398.216337987
55289898	Total_Formal_Charge	0
129606985	Structure_Complexity	756
15580	Molecular_Weight	277.14
31018	Rotatable_Bond_Count	1
636367	Exact_Mass	193.05863707
124220089	Undefined_Bond_Stereo_Count	0
55289602	Hydrogen_Bond_Donor_Count	1
3754	Covalent_Unit_Count	1
13216994	Defined_Bond_Stereo_Count	0
131162679	Mono_Isotopic_Weight	117.078978594
14109	Undefined_Bond_Stereo_Count	0
65834	TPSA	20.3
241027	Structure_Complexity	130
11320921	Isotope_Atom_Count	0
70542877	Mono_Isotopic_Weight	97.027611728
6434217	Undefined_Atom_Stereo_Count	2
10497540	XLogP3-AA	0.7
9918559	Molecular_Weight	477.5
70722	Structure_Complexity	114
141543352	Defined_Atom_Stereo_Count	0
135749823	Exact_Mass	680.24757729
6336	Tautomer_Count	1
4630917	Exact_Mass	245.177964357
135402009	Defined_Atom_Stereo_Count	0
137895	Defined_Atom_Stereo_Count	0
15699917	Covalent_Unit_Count	1
60196341	Undefined_Atom_Stereo_Count	14
65478	Hydrogen_Bond_Acceptor_Count	9
107715	Covalent_Unit_Count	1
12695	Defined_Bond_Stereo_Count	0
13408391	XLogP3-AA	3.3
136219151	Rotatable_Bond_Count	4
10662	Covalent_Unit_Count	1
132302	Tautomer_Count	1
41781	Exact_Mass	348.12561169
5463153	Hydrogen_Bond_Donor_Count	0
257950	Isotope_Atom_Count	0
10930781	Structure_Complexity	1580
3564	Molecular_Weight	214.26
192826	Isotope_Atom_Count	0
7642	TPSA	52.6
20081031	TPSA	64.7
92434	Total_Formal_Charge	0
118994155	Mono_Isotopic_Weight	109.052763847
141187507	Defined_Atom_Stereo_Count	0
688311	Molecular_Weight	245.04
821645	Defined_Bond_Stereo_Count	1
706485	Defined_Bond_Stereo_Count	0
22011941	Total_Formal_Charge	0
13573327	Hydrogen_Bond_Acceptor_Count	0
88322	Undefined_Bond_Stereo_Count	0
4615	XLogP3-AA	4.1
2734173	Mono_Isotopic_Weight	164.143924578
3047786	Hydrogen_Bond_Donor_Count	0
22411865	Defined_Bond_Stereo_Count	0
79148	Defined_Atom_Stereo_Count	0
9942228	Covalent_Unit_Count	2
21430458	Exact_Mass	117.078978594
57397462	Exact_Mass	388.0648413
12075598	Rotatable_Bond_Count	0
66663	Hydrogen_Bond_Donor_Count	0
12725	Structure_Complexity	70.1
11915	Undefined_Atom_Stereo_Count	0
21750168	Mono_Isotopic_Weight	128.047344113
24946104	Rotatable_Bond_Count	7
5283361	Total_Formal_Charge	0
17948	Covalent_Unit_Count	2
33295	XLogP3-AA	2
24250	Hydrogen_Bond_Acceptor_Count	2
52948154	Total_Formal_Charge	0
2724629	Defined_Atom_Stereo_Count	2
122449120	Hydrogen_Bond_Acceptor_Count	2
2775641	Covalent_Unit_Count	1
3021	Undefined_Atom_Stereo_Count	13
5280954	Total_Formal_Charge	0
118504287	Isotope_Atom_Count	0
820051	TPSA	65.2
12319472	Molecular_Weight	277.16
49852363	Isotope_Atom_Count	0
6917985	Structure_Complexity	409
15276695	Isotope_Atom_Count	0
647893	Structure_Complexity	541
54111025	Defined_Bond_Stereo_Count	0
595230	Non-hydrogen_Atom_Count	12
135925739	Total_Formal_Charge	0
11093	TPSA	0
11095	Mono_Isotopic_Weight	288.06338810
31336	Defined_Bond_Stereo_Count	0
286595	Undefined_Atom_Stereo_Count	0
251070	Molecular_Weight	188.22
15737685	Hydrogen_Bond_Donor_Count	0
3032307	Defined_Bond_Stereo_Count	0
32872	Hydrogen_Bond_Acceptor_Count	6
25273237	Mono_Isotopic_Weight	389.20764703
57780614	Defined_Bond_Stereo_Count	0
694466	TPSA	111
12094059	Covalent_Unit_Count	1
67108132	Total_Formal_Charge	0
1837	Structure_Complexity	203
5282948	Non-hydrogen_Atom_Count	21
18776	Molecular_Weight	681.7
108074	Covalent_Unit_Count	1
5516	Molecular_Weight	406.0
5206	Undefined_Atom_Stereo_Count	0
32798	TPSA	80.7
24800211	Covalent_Unit_Count	2
8920	Covalent_Unit_Count	1
57468	Exact_Mass	348.2099045
135455401	Molecular_Weight	156.95
56327	Mono_Isotopic_Weight	219.125928785
22132230	Mono_Isotopic_Weight	102.079312947
18726540	XLogP3-AA	3.5
135398513	Exact_Mass	225.08618923
24181805	Non-hydrogen_Atom_Count	28
133090	Covalent_Unit_Count	1
3682	Isotope_Atom_Count	0
91996	Total_Formal_Charge	0
14819036	Molecular_Weight	78.07
16722125	Mono_Isotopic_Weight	396.13953042
118210118	XLogP3-AA	0
43424	Exact_Mass	409.1894101
107805	Undefined_Atom_Stereo_Count	0
16219784	Mono_Isotopic_Weight	530.28796829
6603759	Structure_Complexity	380
66908206	Non-hydrogen_Atom_Count	8
57077346	Hydrogen_Bond_Donor_Count	0
117326	Molecular_Weight	103.16
344865	Hydrogen_Bond_Donor_Count	0
102239676	Undefined_Bond_Stereo_Count	0
71449805	Defined_Bond_Stereo_Count	0
101915880	Exact_Mass	528.9651382
441145	Covalent_Unit_Count	1
68119	Hydrogen_Bond_Acceptor_Count	4
9548714	Total_Formal_Charge	0
1424	Hydrogen_Bond_Donor_Count	2
6431	TPSA	0
18924037	Undefined_Bond_Stereo_Count	0
19792224	Hydrogen_Bond_Acceptor_Count	3
3373	Hydrogen_Bond_Acceptor_Count	5
520301	Hydrogen_Bond_Donor_Count	1
87155	Rotatable_Bond_Count	3
13334302	Structure_Complexity	68.8
10039774	Exact_Mass	288.208930132
75657	Exact_Mass	127.099714038
123381573	Mono_Isotopic_Weight	86.048012819
8494	XLogP3	1.4
191445	TPSA	165
38464	Non-hydrogen_Atom_Count	16
114739	Total_Formal_Charge	0
10537	Defined_Bond_Stereo_Count	0
114911	Undefined_Bond_Stereo_Count	0
143286	Mono_Isotopic_Weight	95.073499291
37524	Tautomer_Count	1
5329098	Undefined_Atom_Stereo_Count	0
75868	Hydrogen_Bond_Acceptor_Count	5
60196293	Total_Formal_Charge	0
403646	Mono_Isotopic_Weight	330.03678
149164152	Structure_Complexity	136
161664	Undefined_Bond_Stereo_Count	0
443948	Molecular_Weight	814.0
107949	Isotope_Atom_Count	0
48955	Rotatable_Bond_Count	10
15658	Rotatable_Bond_Count	0
4447605	Hydrogen_Bond_Acceptor_Count	3
71310415	Defined_Atom_Stereo_Count	0
9862176	Tautomer_Count	1
4331	Rotatable_Bond_Count	13
51425	Defined_Atom_Stereo_Count	0
638793	Defined_Atom_Stereo_Count	8
58660916	Isotope_Atom_Count	0
2724192	Undefined_Atom_Stereo_Count	0
11062432	Total_Formal_Charge	0
11474262	Undefined_Bond_Stereo_Count	0
62820	Exact_Mass	209.9606158
11534927	Covalent_Unit_Count	1
71305058	Molecular_Weight	421.3
11412346	Mono_Isotopic_Weight	97.089149355
82162	Structure_Complexity	190
13925	Hydrogen_Bond_Donor_Count	1
126480242	Non-hydrogen_Atom_Count	28
5365332	Undefined_Bond_Stereo_Count	0
13450501	Rotatable_Bond_Count	1
2764874	Covalent_Unit_Count	1
80302	Undefined_Bond_Stereo_Count	1
12867	Covalent_Unit_Count	1
9630	Total_Formal_Charge	0
55223	Defined_Atom_Stereo_Count	0
3083659	Isotope_Atom_Count	0
219990	Undefined_Atom_Stereo_Count	0
119432	Covalent_Unit_Count	1
44565819	Hydrogen_Bond_Donor_Count	3
23247721	Undefined_Atom_Stereo_Count	0
34230	Mono_Isotopic_Weight	724.47616298
8304	Non-hydrogen_Atom_Count	13
656980	Hydrogen_Bond_Acceptor_Count	2
4349	Undefined_Bond_Stereo_Count	0
20118532	XLogP3-AA	0.7
10286159	Hydrogen_Bond_Donor_Count	2
5417	Covalent_Unit_Count	1
6992099	Undefined_Bond_Stereo_Count	0
10059810	Rotatable_Bond_Count	2
5464186	Undefined_Atom_Stereo_Count	0
20172	Exact_Mass	467.96739619
75005	Defined_Bond_Stereo_Count	0
137727	Exact_Mass	78.0469501914
1438248	Non-hydrogen_Atom_Count	25
44339779	Total_Formal_Charge	0
68324677	Defined_Atom_Stereo_Count	1
93252	Hydrogen_Bond_Acceptor_Count	2
274082	Rotatable_Bond_Count	10
26445	Non-hydrogen_Atom_Count	8
13570060	Covalent_Unit_Count	1
113415	Defined_Bond_Stereo_Count	0
57109318	Rotatable_Bond_Count	0
656911	Tautomer_Count	3
5368053	Hydrogen_Bond_Acceptor_Count	5
9934643	Non-hydrogen_Atom_Count	34
441975	Undefined_Bond_Stereo_Count	0
1894	Undefined_Bond_Stereo_Count	0
6445008	Defined_Atom_Stereo_Count	0
1097	Undefined_Bond_Stereo_Count	4
32346	Defined_Bond_Stereo_Count	0
197861	TPSA	20.3
57782	Structure_Complexity	390
95295	Molecular_Weight	156.01
524682	Hydrogen_Bond_Donor_Count	0
2332	Hydrogen_Bond_Acceptor_Count	1
54692950	Exact_Mass	514.20636393
15827531	XLogP3-AA	2.2
57318251	Defined_Atom_Stereo_Count	0
9989	Hydrogen_Bond_Donor_Count	1
16038399	Total_Formal_Charge	0
21702812	Hydrogen_Bond_Acceptor_Count	1
25113157	TPSA	178
88941292	Undefined_Atom_Stereo_Count	0
6914	Defined_Bond_Stereo_Count	0
234808	Covalent_Unit_Count	1
21106	Undefined_Atom_Stereo_Count	1
593379	Defined_Bond_Stereo_Count	0
2465	Tautomer_Count	1
91298633	Hydrogen_Bond_Donor_Count	1
161032	Mono_Isotopic_Weight	130.04523611
43833360	TPSA	13.7
521939	Mono_Isotopic_Weight	268.125200510
925253	Covalent_Unit_Count	1
3009363	Defined_Atom_Stereo_Count	0
496666	Undefined_Atom_Stereo_Count	1
5288670	Rotatable_Bond_Count	9
6918204	Rotatable_Bond_Count	29
89759530	Defined_Bond_Stereo_Count	0
10877083	Molecular_Weight	113.16
15808	Exact_Mass	206.167065321
68646	Hydrogen_Bond_Donor_Count	2
46910592	Undefined_Atom_Stereo_Count	0
12015095	Hydrogen_Bond_Donor_Count	0
13138140	Undefined_Atom_Stereo_Count	2
11978813	TPSA	73
111509	Hydrogen_Bond_Donor_Count	1
93131	Undefined_Atom_Stereo_Count	0
101023318	Undefined_Bond_Stereo_Count	0
132846	Total_Formal_Charge	0
138813	Tautomer_Count	1
21862291	Rotatable_Bond_Count	4
5177120	Molecular_Weight	115.11
51711	Isotope_Atom_Count	0
11317	Undefined_Atom_Stereo_Count	0
82763	Undefined_Atom_Stereo_Count	0
60196326	Undefined_Atom_Stereo_Count	0
66204	Mono_Isotopic_Weight	246.81429
2206	Undefined_Atom_Stereo_Count	0
36689718	Covalent_Unit_Count	1
439524	Defined_Bond_Stereo_Count	0
54598306	Rotatable_Bond_Count	3
3017661	Defined_Atom_Stereo_Count	0
6999109	Undefined_Atom_Stereo_Count	0
138107566	Exact_Mass	416.32904526
8626	TPSA	329
565589	Defined_Atom_Stereo_Count	0
141168949	XLogP3-AA	0.7
22674	Covalent_Unit_Count	2
9549284	Defined_Bond_Stereo_Count	1
440277	Defined_Bond_Stereo_Count	0
3814068	XLogP3-AA	2.4
10535	TPSA	43.1
347	Defined_Atom_Stereo_Count	0
55286155	Undefined_Atom_Stereo_Count	0
21914506	Non-hydrogen_Atom_Count	8
7	XLogP3	0.2
68384915	Non-hydrogen_Atom_Count	21
84003	Tautomer_Count	4
60192	Rotatable_Bond_Count	11
11126361	Rotatable_Bond_Count	1
20498	Defined_Atom_Stereo_Count	0
12182	Structure_Complexity	107
628397	Non-hydrogen_Atom_Count	21
11339	Covalent_Unit_Count	1
9375	Exact_Mass	206.141913202
38910	Structure_Complexity	58
14803791	TPSA	26.3
32737	Defined_Atom_Stereo_Count	0
1214	Rotatable_Bond_Count	2
79048	XLogP3-AA	1.1
44187	TPSA	271
403803	Undefined_Bond_Stereo_Count	0
11217523	Hydrogen_Bond_Donor_Count	2
37270	XLogP3	7.5
6326996	Defined_Bond_Stereo_Count	0
33363	TPSA	21.6
39031	Isotope_Atom_Count	0
92381	Tautomer_Count	1
17959664	TPSA	53.8
5282706	Non-hydrogen_Atom_Count	7
5284518	Mono_Isotopic_Weight	348.23727013
89456730	Covalent_Unit_Count	1
79089	Tautomer_Count	1
12208403	Hydrogen_Bond_Acceptor_Count	4
22500965	Molecular_Weight	138.17
56834575	Molecular_Weight	465.5
5353593	Defined_Bond_Stereo_Count	1
27826	Exact_Mass	129.090211983
5948	Structure_Complexity	72.1
21546968	Non-hydrogen_Atom_Count	8
54054905	Total_Formal_Charge	0
23622962	Structure_Complexity	226
39507	Exact_Mass	370.25079494
62328	Structure_Complexity	264
115260	Rotatable_Bond_Count	10
65591	Isotope_Atom_Count	0
7800	Non-hydrogen_Atom_Count	16
60810	Structure_Complexity	650
14478661	Structure_Complexity	72.5
18175195	Undefined_Atom_Stereo_Count	0
154496863	TPSA	190
14923234	Total_Formal_Charge	0
5745206	Structure_Complexity	824
31714	Structure_Complexity	740
61785	Hydrogen_Bond_Donor_Count	1
98703	TPSA	41.1
15980171	Hydrogen_Bond_Donor_Count	3
83904773	Undefined_Atom_Stereo_Count	3
13615995	Mono_Isotopic_Weight	204.13615911
71394753	Non-hydrogen_Atom_Count	20
80654	Isotope_Atom_Count	0
71430	Tautomer_Count	1
713	Rotatable_Bond_Count	0
40466988	Non-hydrogen_Atom_Count	36
90181814	Hydrogen_Bond_Donor_Count	0
136305612	Mono_Isotopic_Weight	110.059246208
565589	XLogP3-AA	2.6
12412244	Undefined_Atom_Stereo_Count	0
719044	Total_Formal_Charge	0
5354280	XLogP3-AA	2.9
16659682	Mono_Isotopic_Weight	408.04580
12942137	Total_Formal_Charge	0
6338	XLogP3-AA	1.5
12040	Tautomer_Count	1
57249823	XLogP3-AA	1.1
64107	Tautomer_Count	8
61503	Defined_Bond_Stereo_Count	0
40460	Tautomer_Count	5
12632903	Molecular_Weight	83.13
6340	Covalent_Unit_Count	1
12343986	Hydrogen_Bond_Acceptor_Count	2
23616278	Molecular_Weight	92.57
90410375	Mono_Isotopic_Weight	645.18147205
11711078	Non-hydrogen_Atom_Count	26
142383	Defined_Atom_Stereo_Count	0
133676174	Structure_Complexity	72.5
98207156	Hydrogen_Bond_Acceptor_Count	11
98231	XLogP3	1.4
35912	Defined_Bond_Stereo_Count	0
138655	Non-hydrogen_Atom_Count	6
22630	Hydrogen_Bond_Acceptor_Count	2
640997	Isotope_Atom_Count	0
23675341	Structure_Complexity	839
68385	Mono_Isotopic_Weight	424.1764997
10073306	XLogP3-AA	1.8
1414	Undefined_Bond_Stereo_Count	3
64515031	Undefined_Bond_Stereo_Count	0
54477	Defined_Atom_Stereo_Count	1
5462951	Exact_Mass	118.078250319
59144	Structure_Complexity	207
297691	Molecular_Weight	337.2
98442	Structure_Complexity	276
11499271	Isotope_Atom_Count	0
39617	Rotatable_Bond_Count	3
10384259	Defined_Atom_Stereo_Count	0
16133899	Defined_Atom_Stereo_Count	0
81458	TPSA	0
444863	TPSA	90.2
12899069	Isotope_Atom_Count	0
15182444	Undefined_Bond_Stereo_Count	0
70692035	Hydrogen_Bond_Donor_Count	1
658	Isotope_Atom_Count	0
42645	Defined_Bond_Stereo_Count	0
9414	Defined_Atom_Stereo_Count	0
17719	TPSA	58.9
3097	Isotope_Atom_Count	0
122198135	Defined_Bond_Stereo_Count	0
542446	Rotatable_Bond_Count	23
58988613	Molecular_Weight	118.13
8639	Undefined_Atom_Stereo_Count	0
23283001	Structure_Complexity	124
138190	TPSA	20.2
946898	Mono_Isotopic_Weight	307.17969569
113	Hydrogen_Bond_Donor_Count	4
6184667	Tautomer_Count	1
21669	Undefined_Atom_Stereo_Count	0
6438372	Covalent_Unit_Count	1
10761920	Defined_Atom_Stereo_Count	0
657302	Tautomer_Count	2
60152109	Molecular_Weight	691.0
148350	Hydrogen_Bond_Donor_Count	0
2723854	Structure_Complexity	877
57399428	Molecular_Weight	480.6
10435654	Non-hydrogen_Atom_Count	32
11851	Undefined_Atom_Stereo_Count	0
18673160	XLogP3-AA	3.4
12487834	TPSA	40.9
129016768	Total_Formal_Charge	0
87898	TPSA	125
53411707	Defined_Bond_Stereo_Count	0
6	Isotope_Atom_Count	0
441467	Molecular_Weight	261.27
84647603	Defined_Bond_Stereo_Count	0
643981	Defined_Atom_Stereo_Count	8
82084	Hydrogen_Bond_Acceptor_Count	5
7007	Tautomer_Count	1
17595	Exact_Mass	113.084063974
15456	Non-hydrogen_Atom_Count	18
7499	Tautomer_Count	1
142482	Isotope_Atom_Count	0
19430196	Undefined_Atom_Stereo_Count	0
40701	Tautomer_Count	1
74724	Total_Formal_Charge	0
130114929	Molecular_Weight	82.10
2459	Hydrogen_Bond_Donor_Count	4
19956670	Undefined_Atom_Stereo_Count	1
4638	Undefined_Bond_Stereo_Count	1
935707	Covalent_Unit_Count	1
97959	Non-hydrogen_Atom_Count	9
21702414	Defined_Bond_Stereo_Count	0
12302673	Hydrogen_Bond_Acceptor_Count	11
31872	Total_Formal_Charge	0
59983745	TPSA	29.1
4027	Covalent_Unit_Count	1
56120	Non-hydrogen_Atom_Count	18
6442439	Undefined_Atom_Stereo_Count	0
12836760	Hydrogen_Bond_Acceptor_Count	3
16204922	Defined_Atom_Stereo_Count	0
3016390	Tautomer_Count	1
5885	Molecular_Weight	743.4
4477	Total_Formal_Charge	0
139283	Mono_Isotopic_Weight	65.97882412
2353	XLogP3-AA	3.6
12836760	Defined_Atom_Stereo_Count	0
67858481	XLogP3-AA	0
6852147	Undefined_Atom_Stereo_Count	0
534258	Defined_Atom_Stereo_Count	0
21595393	Total_Formal_Charge	1
535805	Undefined_Bond_Stereo_Count	0
4532218	Rotatable_Bond_Count	0
42627755	Hydrogen_Bond_Donor_Count	4
10001337	Undefined_Atom_Stereo_Count	0
6456015	Tautomer_Count	53
124019740	Covalent_Unit_Count	1
57340472	Isotope_Atom_Count	0
643981	Isotope_Atom_Count	0
66156	Exact_Mass	203.9576748
852452	Defined_Atom_Stereo_Count	0
73433376	Molecular_Weight	100.12
72048	Hydrogen_Bond_Donor_Count	4
65991760	Hydrogen_Bond_Donor_Count	1
153683405	Covalent_Unit_Count	1
90429111	TPSA	58.6
153976605	TPSA	49.3
450598	Undefined_Bond_Stereo_Count	0
135398745	XLogP3-AA	2.9
54707177	Structure_Complexity	1230
2734250	Undefined_Bond_Stereo_Count	0
196445	Total_Formal_Charge	0
70309	Non-hydrogen_Atom_Count	12
743681	XLogP3-AA	3.7
549482	Defined_Atom_Stereo_Count	0
3776755	Isotope_Atom_Count	0
21115778	TPSA	138
5966	Molecular_Weight	556.8
10329304	Hydrogen_Bond_Donor_Count	0
23189	Structure_Complexity	257
59295994	Undefined_Bond_Stereo_Count	0
91667979	Non-hydrogen_Atom_Count	21
57939635	Rotatable_Bond_Count	1
6931391	Hydrogen_Bond_Donor_Count	1
2724951	Hydrogen_Bond_Acceptor_Count	2
1951	XLogP3	4.5
19987011	Structure_Complexity	125
522287	Isotope_Atom_Count	0
91500	Structure_Complexity	10
5358902	Hydrogen_Bond_Donor_Count	1
185498	Total_Formal_Charge	2
15920952	Hydrogen_Bond_Donor_Count	1
157294	Exact_Mass	363.19467705
4714721	Mono_Isotopic_Weight	112.052429494
5282455	Total_Formal_Charge	0
6896	Undefined_Bond_Stereo_Count	0
39860	Mono_Isotopic_Weight	372.26644501
135409347	Hydrogen_Bond_Acceptor_Count	6
131398469	Mono_Isotopic_Weight	111.068413911
32698	Non-hydrogen_Atom_Count	21
20157043	Hydrogen_Bond_Acceptor_Count	2
10898949	Total_Formal_Charge	0
21873177	Hydrogen_Bond_Acceptor_Count	15
5276614	XLogP3-AA	8.4
161664	Undefined_Atom_Stereo_Count	0
133090	Undefined_Atom_Stereo_Count	1
263086	Covalent_Unit_Count	1
6603759	Undefined_Bond_Stereo_Count	0
2457	Rotatable_Bond_Count	1
449394	XLogP3-AA	2.5
281459	Structure_Complexity	136
3135	Isotope_Atom_Count	0
131704316	Hydrogen_Bond_Acceptor_Count	10
6915944	Hydrogen_Bond_Donor_Count	4
11521070	Hydrogen_Bond_Donor_Count	1
14805639	XLogP3-AA	1.6
65944	Undefined_Bond_Stereo_Count	0
122670	Total_Formal_Charge	0
351795	Defined_Bond_Stereo_Count	0
62329	Covalent_Unit_Count	1
119693	Defined_Bond_Stereo_Count	0
45282362	Covalent_Unit_Count	1
53248849	Exact_Mass	300.16379146
56340	XLogP3-AA	3.3
640997	Structure_Complexity	37.9
69420	Covalent_Unit_Count	1
31243	Hydrogen_Bond_Acceptor_Count	1
46693	Hydrogen_Bond_Acceptor_Count	3
551387	Defined_Bond_Stereo_Count	0
9865929	Isotope_Atom_Count	0
11800	Exact_Mass	246.0003056
66137	Tautomer_Count	1
21428	XLogP3	2.1
656575	Structure_Complexity	1050
8534	Hydrogen_Bond_Donor_Count	3
53869568	Hydrogen_Bond_Donor_Count	0
55223	XLogP3-AA	2.6
141112	Undefined_Bond_Stereo_Count	0
13158	Structure_Complexity	118
57465876	Total_Formal_Charge	0
130232326	Molecular_Weight	554.5
10772936	Hydrogen_Bond_Acceptor_Count	1
588963	Non-hydrogen_Atom_Count	20
16551	Structure_Complexity	31.5
65093	Exact_Mass	220.01289061
22320	Structure_Complexity	64.6
92668	Undefined_Atom_Stereo_Count	0
135705228	Isotope_Atom_Count	0
30337	Exact_Mass	230.11542367
85328	Defined_Bond_Stereo_Count	0
27596	Defined_Bond_Stereo_Count	0
7323	Mono_Isotopic_Weight	254.9159841
439306	Undefined_Atom_Stereo_Count	3
6927356	XLogP3	2.6
198016	Isotope_Atom_Count	0
4761	XLogP3	2.8
15528723	Undefined_Bond_Stereo_Count	0
15239355	Structure_Complexity	69.2
73604	Defined_Bond_Stereo_Count	0
57568	Molecular_Weight	211.30
20226563	Undefined_Atom_Stereo_Count	0
44246477	Defined_Bond_Stereo_Count	0
10964423	Undefined_Atom_Stereo_Count	1
150855	Structure_Complexity	660
61347	Hydrogen_Bond_Acceptor_Count	1
53657	Undefined_Atom_Stereo_Count	0
75987156	Hydrogen_Bond_Donor_Count	2
61054	Covalent_Unit_Count	1
5249	XLogP3-AA	6.2
117569443	Rotatable_Bond_Count	3
1549520	Mono_Isotopic_Weight	163.063328530
87823	Isotope_Atom_Count	0
53885557	Mono_Isotopic_Weight	115.063328530
10438	Defined_Atom_Stereo_Count	0
41264	Isotope_Atom_Count	0
4667	Rotatable_Bond_Count	6
442972	Defined_Atom_Stereo_Count	10
23665765	Defined_Atom_Stereo_Count	0
13068	Exact_Mass	192.093900383
54710743	Total_Formal_Charge	1
1490119	Defined_Bond_Stereo_Count	0
123755	Hydrogen_Bond_Donor_Count	3
1078	Exact_Mass	355.15523479
44338981	Defined_Atom_Stereo_Count	0
57486971	TPSA	23.8
15278170	Hydrogen_Bond_Donor_Count	1
69602	Non-hydrogen_Atom_Count	11
509554	Covalent_Unit_Count	1
71453204	Defined_Atom_Stereo_Count	1
19820834	Mono_Isotopic_Weight	101.047678466
781	Total_Formal_Charge	0
77287	Hydrogen_Bond_Acceptor_Count	1
85370	Structure_Complexity	166
67553	Hydrogen_Bond_Acceptor_Count	1
88191	Isotope_Atom_Count	0
119432	Structure_Complexity	0
16454	Defined_Atom_Stereo_Count	0
57392964	Mono_Isotopic_Weight	454.16747650
161664	Defined_Atom_Stereo_Count	0
5544	TPSA	115
7065	TPSA	9.7
11290087	TPSA	57.5
6433110	Structure_Complexity	515
118087148	Undefined_Atom_Stereo_Count	2
17842471	Covalent_Unit_Count	1
18681973	Undefined_Bond_Stereo_Count	0
1052	Rotatable_Bond_Count	2
12467556	Hydrogen_Bond_Acceptor_Count	3
447626	Covalent_Unit_Count	2
5280343	Total_Formal_Charge	0
449242	Mono_Isotopic_Weight	360.07225250
12205	Non-hydrogen_Atom_Count	10
51585	Molecular_Weight	224.32
19077486	Defined_Bond_Stereo_Count	0
88209	Non-hydrogen_Atom_Count	12
3711	Molecular_Weight	416.4
667684	Hydrogen_Bond_Donor_Count	1
6497	Non-hydrogen_Atom_Count	7
11428	Rotatable_Bond_Count	2
5903	Structure_Complexity	752
2723800	Mono_Isotopic_Weight	350.1298243
5121662	Non-hydrogen_Atom_Count	13
5	Hydrogen_Bond_Donor_Count	3
61664	Tautomer_Count	3
64765	Tautomer_Count	1
5284456	Total_Formal_Charge	0
9928016	Hydrogen_Bond_Acceptor_Count	4
259381	Hydrogen_Bond_Acceptor_Count	2
7409	XLogP3	1.4
82187	Isotope_Atom_Count	0
472181	Defined_Bond_Stereo_Count	0
20624744	Hydrogen_Bond_Donor_Count	2
13379559	Structure_Complexity	111
91097771	Molecular_Weight	1202.6
786624	Mono_Isotopic_Weight	330.993362
40685	Tautomer_Count	29
3035817	XLogP3-AA	2.8
6918295	Total_Formal_Charge	0
23725063	TPSA	141
86277930	Exact_Mass	799.1856278
14868106	Isotope_Atom_Count	0
88735	Undefined_Atom_Stereo_Count	0
63826	Total_Formal_Charge	0
123309341	Mono_Isotopic_Weight	110.048012819
18387020	Hydrogen_Bond_Donor_Count	0
18402	Hydrogen_Bond_Acceptor_Count	2
57258462	Covalent_Unit_Count	1
16683012	Molecular_Weight	908.89
49869172	Exact_Mass	404.22122615
10289038	Exact_Mass	491.23212518
9570290	TPSA	95.9
129893562	Hydrogen_Bond_Donor_Count	11
9793714	Defined_Atom_Stereo_Count	0
18506396	Undefined_Atom_Stereo_Count	3
63503	Defined_Bond_Stereo_Count	0
10184774	Defined_Bond_Stereo_Count	0
114789	Hydrogen_Bond_Acceptor_Count	0
9548802	Undefined_Bond_Stereo_Count	0
139759	Structure_Complexity	0
22242539	Defined_Bond_Stereo_Count	0
235905	Hydrogen_Bond_Donor_Count	1
559009	Molecular_Weight	100.16
91474	Structure_Complexity	663
10267	Structure_Complexity	428
6292	Exact_Mass	250.110613074
3000506	Isotope_Atom_Count	0
16197727	Rotatable_Bond_Count	51
170501	Defined_Bond_Stereo_Count	0
58318269	Molecular_Weight	284.35
721947	Molecular_Weight	333.71
45926185	Exact_Mass	345.07093309
348256	Hydrogen_Bond_Donor_Count	0
118437609	Mono_Isotopic_Weight	115.063328530
13197720	Undefined_Bond_Stereo_Count	0
6537961	Covalent_Unit_Count	1
5281515	Mono_Isotopic_Weight	204.187800766
366729	Structure_Complexity	323
9841854	Defined_Bond_Stereo_Count	0
200638	Total_Formal_Charge	0
86806	Defined_Bond_Stereo_Count	0
4627807	Defined_Atom_Stereo_Count	0
33255	Molecular_Weight	454.5
53701416	Covalent_Unit_Count	1
656743	Non-hydrogen_Atom_Count	28
164550	Tautomer_Count	3
78281	Mono_Isotopic_Weight	156.98336413
156651923	TPSA	21.8
1470719	Total_Formal_Charge	0
913	Molecular_Weight	151.21
21662383	Hydrogen_Bond_Donor_Count	0
19985227	Hydrogen_Bond_Donor_Count	1
54372438	Isotope_Atom_Count	0
63179	Hydrogen_Bond_Acceptor_Count	5
69965423	Covalent_Unit_Count	1
10457	TPSA	74.6
23690938	Molecular_Weight	353.3
46783232	Undefined_Bond_Stereo_Count	0
15732451	Rotatable_Bond_Count	4
537037	TPSA	135
3082718	Covalent_Unit_Count	1
61305	Total_Formal_Charge	0
4506	XLogP3	2.2
124040753	XLogP3	1.4
2461	XLogP3	2.9
44277532	Covalent_Unit_Count	1
97105	Defined_Bond_Stereo_Count	0
441542	Mono_Isotopic_Weight	788.31632555
36131	Non-hydrogen_Atom_Count	24
6266	Defined_Atom_Stereo_Count	0
143342009	Molecular_Weight	95.14
135391044	Undefined_Atom_Stereo_Count	0
136733	Covalent_Unit_Count	1
18521191	Molecular_Weight	97.16
137699107	Structure_Complexity	329
524671	Non-hydrogen_Atom_Count	8
57136075	Structure_Complexity	93.2
34060	Rotatable_Bond_Count	6
93203	Hydrogen_Bond_Acceptor_Count	4
12498	Defined_Bond_Stereo_Count	0
6438895	Isotope_Atom_Count	0
404422	Rotatable_Bond_Count	5
8217	Hydrogen_Bond_Acceptor_Count	0
19309	Tautomer_Count	7
21540	Molecular_Weight	183.21
92873	XLogP3-AA	7.6
4454	Hydrogen_Bond_Donor_Count	13
51579	XLogP3	2.6
69070	Undefined_Bond_Stereo_Count	0
54700	Hydrogen_Bond_Acceptor_Count	4
21864164	Hydrogen_Bond_Acceptor_Count	3
3414	Hydrogen_Bond_Donor_Count	0
9912092	Exact_Mass	460.13042228
5459319	Structure_Complexity	1030
127657	Defined_Atom_Stereo_Count	0
3392460	Isotope_Atom_Count	0
67519	Mono_Isotopic_Weight	70.027946081
11170931	Undefined_Bond_Stereo_Count	0
46235922	TPSA	98.1
45933886	Defined_Bond_Stereo_Count	0
69280558	Defined_Atom_Stereo_Count	0
72385	Covalent_Unit_Count	1
2774635	Tautomer_Count	1
7794	Defined_Atom_Stereo_Count	0
126769	Hydrogen_Bond_Donor_Count	2
140349	Undefined_Atom_Stereo_Count	0
237546	XLogP3-AA	0.1
21709689	TPSA	0
87599626	Hydrogen_Bond_Acceptor_Count	4
53317194	Undefined_Atom_Stereo_Count	0
5288588	Undefined_Bond_Stereo_Count	0
11789141	Undefined_Bond_Stereo_Count	0
16850	Exact_Mass	332.06847348
6914282	Covalent_Unit_Count	1
16213698	Total_Formal_Charge	0
51253	Hydrogen_Bond_Acceptor_Count	2
6450173	Hydrogen_Bond_Donor_Count	3
441558	TPSA	18.5
5282450	Isotope_Atom_Count	0
148816436	Defined_Atom_Stereo_Count	0
16134627	Undefined_Atom_Stereo_Count	0
7026090	Hydrogen_Bond_Donor_Count	0
137347969	Defined_Bond_Stereo_Count	0
21333560	Molecular_Weight	99.13
83093	Isotope_Atom_Count	0
132939820	TPSA	110
136041721	Molecular_Weight	301.69
174174	Molecular_Weight	289.4
71310254	Hydrogen_Bond_Donor_Count	8
4344	Molecular_Weight	105.16
64148	Molecular_Weight	240.3
23293	Non-hydrogen_Atom_Count	7
61126	Covalent_Unit_Count	1
104794	Isotope_Atom_Count	0
12271363	Structure_Complexity	137
10935908	Structure_Complexity	374
23634441	Hydrogen_Bond_Donor_Count	3
3452	Molecular_Weight	127.14
5281168	Covalent_Unit_Count	1
6917972	Mono_Isotopic_Weight	247.963896
14041489	Undefined_Atom_Stereo_Count	2
146921	Defined_Atom_Stereo_Count	0
78440	Exact_Mass	362.09498026
16212746	Defined_Bond_Stereo_Count	0
85658	Structure_Complexity	494
123919	Structure_Complexity	163
10046404	Non-hydrogen_Atom_Count	29
75605138	Hydrogen_Bond_Donor_Count	2
726370	Defined_Atom_Stereo_Count	0
173612	Molecular_Weight	481.9
129635186	Structure_Complexity	955
626607	Defined_Bond_Stereo_Count	0
34665	Hydrogen_Bond_Acceptor_Count	5
138148	Structure_Complexity	55.2
9821	Total_Formal_Charge	0
182585	Hydrogen_Bond_Acceptor_Count	5
14619629	Total_Formal_Charge	0
138440	Undefined_Bond_Stereo_Count	0
47635	Exact_Mass	339.13313942
11545464	Undefined_Atom_Stereo_Count	0
838844	Molecular_Weight	239.07
21492261	Total_Formal_Charge	0
137349957	Structure_Complexity	1730
36688207	Molecular_Weight	347.5
22016536	Structure_Complexity	706
16058881	Hydrogen_Bond_Donor_Count	1
95295	Defined_Bond_Stereo_Count	0
21973779	Undefined_Bond_Stereo_Count	0
67528035	Covalent_Unit_Count	1
121587	Non-hydrogen_Atom_Count	22
76961009	Isotope_Atom_Count	0
9577221	Undefined_Atom_Stereo_Count	0
67518639	Hydrogen_Bond_Acceptor_Count	6
11181	Structure_Complexity	79.8
544563	Molecular_Weight	112.17
88889699	Rotatable_Bond_Count	0
78422638	Undefined_Bond_Stereo_Count	0
21595393	Hydrogen_Bond_Donor_Count	1
185654	Undefined_Atom_Stereo_Count	0
72790	Rotatable_Bond_Count	0
9973981	XLogP3-AA	3.6
44581145	Hydrogen_Bond_Donor_Count	4
11198850	Structure_Complexity	523
445382	Undefined_Atom_Stereo_Count	0
15034633	Defined_Atom_Stereo_Count	0
23010495	Undefined_Atom_Stereo_Count	4
136582	Undefined_Bond_Stereo_Count	0
3440	Hydrogen_Bond_Acceptor_Count	7
66598080	Isotope_Atom_Count	0
33671	Hydrogen_Bond_Acceptor_Count	2
17516	Defined_Atom_Stereo_Count	0
518733	Molecular_Weight	101.19
20134527	Exact_Mass	98.073164938
70482	TPSA	29.1
3871454	Structure_Complexity	548
158366227	Defined_Bond_Stereo_Count	0
123388382	XLogP3-AA	0.5
90495	Total_Formal_Charge	0
22613925	Isotope_Atom_Count	0
28125489	Molecular_Weight	234.31
12602	Structure_Complexity	280
143817431	XLogP3-AA	0.1
58666267	Isotope_Atom_Count	0
21558567	Non-hydrogen_Atom_Count	7
62217	Exact_Mass	263.094628657
24729360	Exact_Mass	358.1547017
71312335	Rotatable_Bond_Count	11
12702413	Isotope_Atom_Count	0
71426	Defined_Atom_Stereo_Count	2
5351257	Mono_Isotopic_Weight	354.07395278
2115	Isotope_Atom_Count	0
129803162	Total_Formal_Charge	0
81102	Exact_Mass	236.14124450
11412527	Hydrogen_Bond_Donor_Count	1
44462985	Covalent_Unit_Count	1
98650	Undefined_Atom_Stereo_Count	0
67420384	TPSA	38.1
21079839	Total_Formal_Charge	0
5282350	Rotatable_Bond_Count	9
319343	Undefined_Bond_Stereo_Count	0
54099616	Total_Formal_Charge	0
29800	TPSA	66.9
5287855	Defined_Bond_Stereo_Count	1
134564038	Total_Formal_Charge	0
248580	Mono_Isotopic_Weight	161.084063974
22641151	Mono_Isotopic_Weight	170.0862282
58420727	Total_Formal_Charge	0
1810	Structure_Complexity	386
3959	Hydrogen_Bond_Acceptor_Count	4
88598	Tautomer_Count	1
23652731	TPSA	71
5189	Undefined_Atom_Stereo_Count	0
92843	Hydrogen_Bond_Donor_Count	3
13826	Undefined_Bond_Stereo_Count	0
725544	Isotope_Atom_Count	0
5754	Defined_Bond_Stereo_Count	0
825353	TPSA	129
32429	Undefined_Atom_Stereo_Count	0
72924	Tautomer_Count	5
9960287	Rotatable_Bond_Count	10
8501	Isotope_Atom_Count	0
22238581	Undefined_Bond_Stereo_Count	0
6917880	Rotatable_Bond_Count	5
58783001	Mono_Isotopic_Weight	85.052763847
3094	Defined_Atom_Stereo_Count	0
5233031	Molecular_Weight	303.2
66112	Non-hydrogen_Atom_Count	6
81601	Tautomer_Count	1
967126	Undefined_Atom_Stereo_Count	0
32243	Isotope_Atom_Count	0
5280896	TPSA	74.6
433294	Total_Formal_Charge	0
7087	XLogP3	3.9
94297	Molecular_Weight	100.12
244809	Undefined_Bond_Stereo_Count	0
24737670	Rotatable_Bond_Count	5
60196346	Structure_Complexity	952
63992	Undefined_Atom_Stereo_Count	1
5284486	Mono_Isotopic_Weight	284.214015512
12231381	Hydrogen_Bond_Donor_Count	0
84647681	TPSA	38.3
69705	Structure_Complexity	95.7
1217	Non-hydrogen_Atom_Count	12
3593	Structure_Complexity	413
5354486	Total_Formal_Charge	0
14197	XLogP3	2.2
87452564	Exact_Mass	116.047344113
90477400	Non-hydrogen_Atom_Count	18
6438372	Defined_Atom_Stereo_Count	1
17907809	TPSA	69.6
429456	Molecular_Weight	106.16
141112	Undefined_Atom_Stereo_Count	0
15442507	XLogP3-AA	0.7
71957	Defined_Atom_Stereo_Count	2
69253	Defined_Bond_Stereo_Count	0
535805	Defined_Atom_Stereo_Count	0
44446780	XLogP3	4.5
137701808	Covalent_Unit_Count	1
20234359	Covalent_Unit_Count	1
89374436	Undefined_Atom_Stereo_Count	0
96428	Structure_Complexity	243
6507255	Non-hydrogen_Atom_Count	21
3107848	TPSA	46.2
164026416	Hydrogen_Bond_Donor_Count	0
20138	Isotope_Atom_Count	0
11544171	Hydrogen_Bond_Donor_Count	2
5659	Non-hydrogen_Atom_Count	22
158794	Exact_Mass	315.14705815
129486	Structure_Complexity	474
16211115	Exact_Mass	169.06736854
42580059	Hydrogen_Bond_Donor_Count	8
25526	Rotatable_Bond_Count	9
15981895	Hydrogen_Bond_Acceptor_Count	8
590707	Covalent_Unit_Count	1
10686	Hydrogen_Bond_Acceptor_Count	0
189594	Undefined_Bond_Stereo_Count	0
9802673	Tautomer_Count	1
71072081	Mono_Isotopic_Weight	504.1946483
45046	Undefined_Atom_Stereo_Count	0
54677756	Rotatable_Bond_Count	1
68583	Structure_Complexity	901
3080714	Non-hydrogen_Atom_Count	32
18316	Exact_Mass	254.224580195
72142	Isotope_Atom_Count	0
50397	XLogP3-AA	2
14646171	Defined_Bond_Stereo_Count	0
4322479	TPSA	62.7
526739	Exact_Mass	244.20384475
135027	Mono_Isotopic_Weight	297.209264485
14222	Molecular_Weight	185.35
66755	Undefined_Bond_Stereo_Count	0
9105	Exact_Mass	402.140850574
124222212	Structure_Complexity	350
6398970	Isotope_Atom_Count	0
78414	Hydrogen_Bond_Donor_Count	0
28803	Molecular_Weight	302.32
15232	Hydrogen_Bond_Donor_Count	6
136183446	TPSA	149
68739990	Structure_Complexity	104
160865755	Hydrogen_Bond_Acceptor_Count	2
11556910	TPSA	91.2
9806190	Tautomer_Count	42
10324367	Covalent_Unit_Count	1
135458645	Mono_Isotopic_Weight	846.44150881
12951488	Isotope_Atom_Count	0
14601092	Undefined_Bond_Stereo_Count	0
85296	Rotatable_Bond_Count	4
5362456	Rotatable_Bond_Count	0
70447162	Defined_Atom_Stereo_Count	0
130904	Mono_Isotopic_Weight	475.27225866
79535	Molecular_Weight	232.36
3208	Rotatable_Bond_Count	16
11886769	TPSA	190
18171	Total_Formal_Charge	0
21537140	Isotope_Atom_Count	0
150901	Rotatable_Bond_Count	1
27854	Hydrogen_Bond_Donor_Count	0
10226045	Structure_Complexity	730
138031	Undefined_Bond_Stereo_Count	0
5479537	Undefined_Bond_Stereo_Count	0
39985	Mono_Isotopic_Weight	340.0269143
1323703	TPSA	98.2
30914	Non-hydrogen_Atom_Count	9
69917	Rotatable_Bond_Count	2
4607	Defined_Atom_Stereo_Count	0
23131983	Isotope_Atom_Count	0
38668	Tautomer_Count	3
686703	Mono_Isotopic_Weight	165.078978594
68658	Mono_Isotopic_Weight	312.1007480
8507	Covalent_Unit_Count	2
39738	Rotatable_Bond_Count	0
57660	Covalent_Unit_Count	1
39521	XLogP3-AA	0.6
3926	Defined_Atom_Stereo_Count	0
1694	TPSA	41.6
88045	Undefined_Bond_Stereo_Count	0
7296	Defined_Bond_Stereo_Count	0
54023535	Isotope_Atom_Count	0
43331	Defined_Bond_Stereo_Count	0
139269842	Total_Formal_Charge	0
42051894	Non-hydrogen_Atom_Count	23
126968951	Undefined_Atom_Stereo_Count	1
11350	Total_Formal_Charge	0
51371732	Hydrogen_Bond_Acceptor_Count	5
10051341	Hydrogen_Bond_Donor_Count	1
13218140	Mono_Isotopic_Weight	114.068079557
6857732	Covalent_Unit_Count	1
76224463	TPSA	65
300765	Non-hydrogen_Atom_Count	18
30924	TPSA	32.9
10088189	Covalent_Unit_Count	1
221881	TPSA	18.5
3315	Hydrogen_Bond_Donor_Count	8
51029964	Isotope_Atom_Count	0
101320272	Rotatable_Bond_Count	5
535813	Rotatable_Bond_Count	2
72684	TPSA	36.3
8048	Isotope_Atom_Count	0
731455	Defined_Bond_Stereo_Count	0
385	Undefined_Bond_Stereo_Count	0
162642814	Undefined_Bond_Stereo_Count	0
737	Exact_Mass	339.99604987
58191	Covalent_Unit_Count	1
19602	TPSA	13.1
3249988	Rotatable_Bond_Count	2
122820	Isotope_Atom_Count	0
53315818	TPSA	58.6
3686723	Rotatable_Bond_Count	0
87140770	Exact_Mass	117.042593085
4329	Isotope_Atom_Count	0
162908	Defined_Bond_Stereo_Count	0
44562468	Isotope_Atom_Count	0
24769	Isotope_Atom_Count	0
71457293	Covalent_Unit_Count	1
51762	Exact_Mass	326.12263431
18555	Defined_Bond_Stereo_Count	0
8361	TPSA	46.5
2331	Defined_Bond_Stereo_Count	0
3081387	Undefined_Atom_Stereo_Count	0
14577080	Total_Formal_Charge	0
8617	Structure_Complexity	230
53357478	TPSA	103
12443367	Exact_Mass	82.027946081
78609	Molecular_Weight	434.5
67350	Exact_Mass	266.12665706
21894	Mono_Isotopic_Weight	136.027277375
5284592	Exact_Mass	372.26644501
71985	Structure_Complexity	270
10811	Covalent_Unit_Count	1
3791919	Defined_Atom_Stereo_Count	0
33097	Undefined_Bond_Stereo_Count	0
36383	XLogP3-AA	0.4
3020	Non-hydrogen_Atom_Count	70
2723772	Tautomer_Count	3
121489349	Hydrogen_Bond_Acceptor_Count	31
54038601	Covalent_Unit_Count	1
133268492	Hydrogen_Bond_Donor_Count	3
148539	TPSA	12.5
12502856	Hydrogen_Bond_Acceptor_Count	1
12355883	Undefined_Atom_Stereo_Count	0
12009	TPSA	49.4
11860	Undefined_Bond_Stereo_Count	0
3777650	TPSA	65.1
639102	Isotope_Atom_Count	0
689385	Exact_Mass	322.05000196
7890	Hydrogen_Bond_Acceptor_Count	0
124708040	Molecular_Weight	342.30
11414	Defined_Atom_Stereo_Count	0
6440180	Covalent_Unit_Count	1
151092	Exact_Mass	335.0689374
534120	Rotatable_Bond_Count	0
250074	XLogP3-AA	1.3
123827359	Undefined_Atom_Stereo_Count	1
42553	Defined_Bond_Stereo_Count	0
6437842	Covalent_Unit_Count	1
6800	Molecular_Weight	500.64
101602	Defined_Bond_Stereo_Count	0
79060	Undefined_Atom_Stereo_Count	1
10475	Molecular_Weight	133.886
3696	Non-hydrogen_Atom_Count	21
501640	Hydrogen_Bond_Acceptor_Count	5
9812414	Mono_Isotopic_Weight	594.98190558
10870	Tautomer_Count	1
16122612	Covalent_Unit_Count	1
9179	Exact_Mass	229.089149355
105131	Rotatable_Bond_Count	1
12535	Non-hydrogen_Atom_Count	30
72165188	Tautomer_Count	4
522609	Exact_Mass	577.32641949
22138513	Mono_Isotopic_Weight	102.068079557
131728182	Exact_Mass	183.0697956
16436	Hydrogen_Bond_Acceptor_Count	2
31204	Covalent_Unit_Count	2
715513	Covalent_Unit_Count	1
84661	Rotatable_Bond_Count	2
44456889	Structure_Complexity	469
16760265	Hydrogen_Bond_Donor_Count	3
53847404	Total_Formal_Charge	0
154479899	Mono_Isotopic_Weight	112.052429494
6433176	Undefined_Bond_Stereo_Count	0
1613	Non-hydrogen_Atom_Count	29
44578536	Exact_Mass	318.15929460
452975	Hydrogen_Bond_Acceptor_Count	22
10556	Tautomer_Count	1
271218	XLogP3	2.9
58391580	Exact_Mass	315.19467705
10131269	Mono_Isotopic_Weight	254.0345865
22281319	Mono_Isotopic_Weight	97.052763847
102491	Defined_Bond_Stereo_Count	0
74041114	Undefined_Bond_Stereo_Count	0
20372060	Mono_Isotopic_Weight	113.047678466
24228	Covalent_Unit_Count	1
164550	Hydrogen_Bond_Acceptor_Count	5
108223	Mono_Isotopic_Weight	164.06847348
9801	Mono_Isotopic_Weight	329.214349865
5438	Mono_Isotopic_Weight	178.04389344
57335384	Non-hydrogen_Atom_Count	40
53321035	Undefined_Bond_Stereo_Count	0
3015262	Total_Formal_Charge	0
10534635	TPSA	27
73937	Total_Formal_Charge	0
197926	TPSA	12
71306415	Hydrogen_Bond_Donor_Count	5
76965484	Undefined_Atom_Stereo_Count	0
53683774	Non-hydrogen_Atom_Count	8
439583	TPSA	110
54175	Covalent_Unit_Count	2
66755	Defined_Atom_Stereo_Count	0
164113877	Defined_Bond_Stereo_Count	0
68648	Molecular_Weight	292.4
24848382	Covalent_Unit_Count	1
3033031	Undefined_Bond_Stereo_Count	0
12785	XLogP3	1.7
919792	Defined_Bond_Stereo_Count	0
16699	Structure_Complexity	150
94684	Hydrogen_Bond_Acceptor_Count	1
4672596	Undefined_Bond_Stereo_Count	0
549138	Covalent_Unit_Count	1
7566944	Mono_Isotopic_Weight	342.11621151
17753912	Isotope_Atom_Count	0
72200674	Undefined_Bond_Stereo_Count	0
44458746	Isotope_Atom_Count	0
10844548	Isotope_Atom_Count	0
76415	Isotope_Atom_Count	0
153274329	Covalent_Unit_Count	1
12759	Hydrogen_Bond_Acceptor_Count	1
12331	Hydrogen_Bond_Donor_Count	1
23684896	Molecular_Weight	161.16
5493321	Exact_Mass	408.12969158
165704207	Covalent_Unit_Count	1
11372270	Undefined_Atom_Stereo_Count	0
5962	Hydrogen_Bond_Acceptor_Count	4
6334	XLogP3-AA	1.8
44570889	Hydrogen_Bond_Donor_Count	2
548185	Non-hydrogen_Atom_Count	8
11955855	Rotatable_Bond_Count	5
102452879	Covalent_Unit_Count	1
18065	Defined_Atom_Stereo_Count	0
53326156	Defined_Bond_Stereo_Count	0
10953595	Defined_Atom_Stereo_Count	3
6604189	Exact_Mass	556.39885615
69332601	Hydrogen_Bond_Acceptor_Count	3
11151622	Undefined_Bond_Stereo_Count	0
16654936	Hydrogen_Bond_Donor_Count	5
53511	Hydrogen_Bond_Acceptor_Count	2
15774	Exact_Mass	481.20108287
19348604	Covalent_Unit_Count	1
64646	Covalent_Unit_Count	5
6610296	Hydrogen_Bond_Donor_Count	5
90891909	Rotatable_Bond_Count	2
101015849	Exact_Mass	182.07009777
6951315	Hydrogen_Bond_Donor_Count	0
101584	Defined_Bond_Stereo_Count	0
604767	Defined_Atom_Stereo_Count	0
61186	Undefined_Atom_Stereo_Count	0
5288494	TPSA	37.3
102452877	Exact_Mass	106.078250319
315411	Total_Formal_Charge	0
133478	Isotope_Atom_Count	0
88402	Defined_Atom_Stereo_Count	0
44555481	Hydrogen_Bond_Donor_Count	0
75987092	Rotatable_Bond_Count	3
70881	Hydrogen_Bond_Acceptor_Count	3
123891134	Undefined_Atom_Stereo_Count	4
7825	Covalent_Unit_Count	1
90753032	Covalent_Unit_Count	1
119499	Defined_Bond_Stereo_Count	0
22754947	Undefined_Bond_Stereo_Count	0
24096961	Structure_Complexity	457
67631	TPSA	42.5
7263	Defined_Bond_Stereo_Count	0
23519852	Undefined_Bond_Stereo_Count	0
28858	Defined_Bond_Stereo_Count	0
15940870	Hydrogen_Bond_Donor_Count	0
518966	Undefined_Atom_Stereo_Count	0
2779031	Hydrogen_Bond_Donor_Count	1
25074469	Mono_Isotopic_Weight	1698.72556297
129644131	TPSA	20.2
439207	Tautomer_Count	1
23324969	Molecular_Weight	94.15
71624343	Undefined_Bond_Stereo_Count	0
19935912	Hydrogen_Bond_Acceptor_Count	1
2810830	Structure_Complexity	611
11575	Mono_Isotopic_Weight	203.94360
135018	Structure_Complexity	460
68490	Covalent_Unit_Count	1
21027022	Non-hydrogen_Atom_Count	7
9835303	Total_Formal_Charge	0
24426	Total_Formal_Charge	0
65130	Undefined_Bond_Stereo_Count	0
25271892	Exact_Mass	315.08033852
89735852	Defined_Atom_Stereo_Count	6
44559553	Total_Formal_Charge	0
13226747	Hydrogen_Bond_Acceptor_Count	0
11062312	Molecular_Weight	98.14
567118	Mono_Isotopic_Weight	99.043261792
95064	Molecular_Weight	211.34
5368838	TPSA	24.4
8282	Defined_Atom_Stereo_Count	0
24144	Molecular_Weight	388.5
21691039	Total_Formal_Charge	0
57369411	Defined_Bond_Stereo_Count	0
2797779	Defined_Atom_Stereo_Count	0
1548994	Hydrogen_Bond_Acceptor_Count	10
51055169	Hydrogen_Bond_Donor_Count	3
7183	Total_Formal_Charge	0
10399	Molecular_Weight	114.19
2748718	Mono_Isotopic_Weight	218.04399007
64423	Mono_Isotopic_Weight	320.1655411
20517177	Covalent_Unit_Count	1
565251	Undefined_Atom_Stereo_Count	3
887798	Total_Formal_Charge	0
656440	Structure_Complexity	579
56670160	Undefined_Bond_Stereo_Count	0
91230338	Mono_Isotopic_Weight	110.109550447
136060	Hydrogen_Bond_Acceptor_Count	0
130554629	Defined_Bond_Stereo_Count	0
40459111	Isotope_Atom_Count	0
44590403	Defined_Bond_Stereo_Count	0
15881135	Defined_Bond_Stereo_Count	0
7672	Mono_Isotopic_Weight	119.037113783
139190714	Exact_Mass	156.04225873
72200110	Covalent_Unit_Count	1
99435	Isotope_Atom_Count	0
129722292	Undefined_Atom_Stereo_Count	1
24892716	Non-hydrogen_Atom_Count	109
7026090	Molecular_Weight	110.11
140535901	Rotatable_Bond_Count	1
57642301	Covalent_Unit_Count	1
12270430	Hydrogen_Bond_Donor_Count	0
5288018	Undefined_Bond_Stereo_Count	0
13728	Hydrogen_Bond_Donor_Count	0
45073462	Rotatable_Bond_Count	4
67403	TPSA	60.7
32756	TPSA	273
24883486	Undefined_Bond_Stereo_Count	0
11466	TPSA	45.8
47500	Undefined_Bond_Stereo_Count	0
14923	Tautomer_Count	1
449331	Exact_Mass	1099.61785045
43899	Mono_Isotopic_Weight	626.15537
6326288	Non-hydrogen_Atom_Count	8
70662473	Defined_Atom_Stereo_Count	1
41043	Exact_Mass	190.04121336
42512	Covalent_Unit_Count	1
400	Hydrogen_Bond_Acceptor_Count	2
5370052	Total_Formal_Charge	0
66773	Hydrogen_Bond_Donor_Count	1
22602645	Structure_Complexity	92.5
97234	Mono_Isotopic_Weight	163.038176411
7430	Molecular_Weight	207.01
3050408	Mono_Isotopic_Weight	457.05554083
107800	Rotatable_Bond_Count	7
13244862	Isotope_Atom_Count	0
11513733	Molecular_Weight	82.06
67936	Rotatable_Bond_Count	1
16132350	Isotope_Atom_Count	0
55011	Undefined_Bond_Stereo_Count	0
54087622	Hydrogen_Bond_Donor_Count	1
925642	Rotatable_Bond_Count	3
147059143	Total_Formal_Charge	0
66624275	Covalent_Unit_Count	1
10317	Hydrogen_Bond_Donor_Count	2
511	Rotatable_Bond_Count	10
136888457	XLogP3-AA	3.6
5328793	Undefined_Atom_Stereo_Count	0
73333	Non-hydrogen_Atom_Count	29
593411	Isotope_Atom_Count	0
6712980	Exact_Mass	98.036779430
85843728	Hydrogen_Bond_Acceptor_Count	2
69834	Undefined_Atom_Stereo_Count	0
87847445	Non-hydrogen_Atom_Count	8
6386307	Covalent_Unit_Count	1
23000709	Mono_Isotopic_Weight	99.043261792
5708528	Non-hydrogen_Atom_Count	10
58827	Exact_Mass	313.16779360
95043	Total_Formal_Charge	0
46587	Hydrogen_Bond_Acceptor_Count	3
72054	Hydrogen_Bond_Donor_Count	1
23724530	Covalent_Unit_Count	1
4761	Undefined_Atom_Stereo_Count	1
1242943	Isotope_Atom_Count	0
8141	Molecular_Weight	128.25
18171	Isotope_Atom_Count	0
1374121	Molecular_Weight	463.6
106951	Defined_Bond_Stereo_Count	0
90227	Undefined_Bond_Stereo_Count	0
85824359	Structure_Complexity	80
533728	Hydrogen_Bond_Acceptor_Count	2
3940691	Isotope_Atom_Count	0
643836	Defined_Bond_Stereo_Count	1
9395	Covalent_Unit_Count	1
14577080	Mono_Isotopic_Weight	285.0920418
10185917	Non-hydrogen_Atom_Count	35
26898	XLogP3-AA	3.4
92781	XLogP3-AA	1
10254	Defined_Atom_Stereo_Count	0
73030	Isotope_Atom_Count	0
65332	Defined_Bond_Stereo_Count	0
9920369	XLogP3-AA	0.3
16960	Structure_Complexity	249
156963344	TPSA	85.2
12847948	Exact_Mass	111.079647300
8627	Isotope_Atom_Count	0
71584166	Rotatable_Bond_Count	4
90315	Defined_Bond_Stereo_Count	0
97226	Molecular_Weight	364.4
23678802	Rotatable_Bond_Count	12
1499	Defined_Atom_Stereo_Count	0
10586	Undefined_Bond_Stereo_Count	0
2713	Defined_Bond_Stereo_Count	0
71810	TPSA	26.3
39874	Undefined_Atom_Stereo_Count	0
92247	Exact_Mass	368.401816278
16132269	Hydrogen_Bond_Acceptor_Count	17
57390699	Undefined_Atom_Stereo_Count	0
739374	Non-hydrogen_Atom_Count	16
24848330	Molecular_Weight	329.4
62479	XLogP3-AA	1
84063996	Mono_Isotopic_Weight	116.083729621
705467	TPSA	49.8
20724774	Exact_Mass	101.047678466
7436	Rotatable_Bond_Count	3
5372405	Molecular_Weight	281.31
94097	Isotope_Atom_Count	0
67543	Undefined_Atom_Stereo_Count	0
6980	XLogP3	2.5
444215	Covalent_Unit_Count	1
4110	XLogP3-AA	4.7
145707274	Undefined_Bond_Stereo_Count	0
87425008	Total_Formal_Charge	0
82085	Molecular_Weight	190.16
14880677	Undefined_Atom_Stereo_Count	0
141344	Defined_Bond_Stereo_Count	0
135398645	Rotatable_Bond_Count	7
61158	Hydrogen_Bond_Donor_Count	2
6426699	Rotatable_Bond_Count	2
7265	Hydrogen_Bond_Acceptor_Count	2
10038849	TPSA	23.5
3563	Non-hydrogen_Atom_Count	23
19759614	Undefined_Bond_Stereo_Count	0
19104	Hydrogen_Bond_Acceptor_Count	3
595875	Isotope_Atom_Count	0
20140931	Isotope_Atom_Count	0
135738851	Defined_Atom_Stereo_Count	14
95187	Hydrogen_Bond_Acceptor_Count	4
41990	Undefined_Bond_Stereo_Count	0
8534	Defined_Bond_Stereo_Count	0
477	Covalent_Unit_Count	1
55289386	Covalent_Unit_Count	1
69244	Rotatable_Bond_Count	2
56841628	Undefined_Bond_Stereo_Count	0
92515	Mono_Isotopic_Weight	208.109944368
537677	Exact_Mass	100.03851076
9805430	XLogP3-AA	0.8
20685	Defined_Bond_Stereo_Count	0
57391320	Non-hydrogen_Atom_Count	32
129692694	Hydrogen_Bond_Donor_Count	0
5281764	Tautomer_Count	136
5282548	Total_Formal_Charge	0
61207	Tautomer_Count	1
434207	Mono_Isotopic_Weight	342.04795251
3622	Exact_Mass	290.17561863
7029	Total_Formal_Charge	0
21516003	Undefined_Bond_Stereo_Count	0
38771	Defined_Atom_Stereo_Count	0
59473233	Exact_Mass	411.18075832
20517892	Mono_Isotopic_Weight	202.15689456
439233	Total_Formal_Charge	0
23665874	TPSA	69.2
11030720	TPSA	63.6
46227489	Molecular_Weight	460.5
79322731	XLogP3-AA	1.1
62546	Defined_Bond_Stereo_Count	0
403805	Hydrogen_Bond_Donor_Count	8
52987927	Hydrogen_Bond_Donor_Count	2
82727	Molecular_Weight	102.18
71457270	Non-hydrogen_Atom_Count	39
17425	TPSA	118
19999	Undefined_Bond_Stereo_Count	0
5287468	Total_Formal_Charge	0
10455	Total_Formal_Charge	0
6420074	Covalent_Unit_Count	1
317061	Covalent_Unit_Count	1
82938	Non-hydrogen_Atom_Count	3
11673921	Covalent_Unit_Count	1
71850	Rotatable_Bond_Count	4
69332464	Undefined_Bond_Stereo_Count	0
14437479	Rotatable_Bond_Count	3
54760130	Exact_Mass	352.16477390
9896434	Molecular_Weight	437.4
32468	TPSA	89.8
5460588	Defined_Bond_Stereo_Count	0
70693538	TPSA	136
50163	Defined_Bond_Stereo_Count	0
2775510	Non-hydrogen_Atom_Count	22
10284	Total_Formal_Charge	0
5252324	Structure_Complexity	421
2734243	Rotatable_Bond_Count	7
60336	Structure_Complexity	205
74454	Isotope_Atom_Count	0
14803	Defined_Bond_Stereo_Count	0
45086609	Non-hydrogen_Atom_Count	10
10215	Undefined_Bond_Stereo_Count	0
10035228	Molecular_Weight	181.15
9690	Undefined_Bond_Stereo_Count	0
44577611	Hydrogen_Bond_Donor_Count	0
84647648	Defined_Atom_Stereo_Count	0
71486	Covalent_Unit_Count	2
57515953	Exact_Mass	460.108726
5748733	Undefined_Bond_Stereo_Count	0
4720	Non-hydrogen_Atom_Count	46
11675054	Defined_Atom_Stereo_Count	0
15190	Non-hydrogen_Atom_Count	32
8168	Exact_Mass	213.245649993
9806489	Hydrogen_Bond_Acceptor_Count	4
58232624	XLogP3-AA	1.6
72370	XLogP3-AA	5.7
10980	Total_Formal_Charge	0
1522	Undefined_Bond_Stereo_Count	0
13662	Hydrogen_Bond_Acceptor_Count	2
34789	Exact_Mass	239.1076919
178438	Undefined_Atom_Stereo_Count	0
65856	Hydrogen_Bond_Acceptor_Count	4
27868	Isotope_Atom_Count	0
66673773	Rotatable_Bond_Count	0
6435415	Total_Formal_Charge	0
129673373	Hydrogen_Bond_Acceptor_Count	14
71339534	Structure_Complexity	415
76720	Tautomer_Count	1
5267	Defined_Atom_Stereo_Count	0
5323604	Undefined_Atom_Stereo_Count	0
20662793	XLogP3-AA	1.1
282752	Undefined_Bond_Stereo_Count	0
1302	Total_Formal_Charge	0
15940949	Exact_Mass	495.27332129
57952	Molecular_Weight	380.4
44453028	Structure_Complexity	814
309	Defined_Atom_Stereo_Count	0
2021	Mono_Isotopic_Weight	332.15835111
18182	TPSA	49.9
124823816	Defined_Atom_Stereo_Count	9
68909	Hydrogen_Bond_Donor_Count	1
137331882	Rotatable_Bond_Count	2
6918405	Undefined_Atom_Stereo_Count	0
55287958	Hydrogen_Bond_Acceptor_Count	2
2542	Mono_Isotopic_Weight	314.224580195
13347992	Molecular_Weight	108.18
135546482	Exact_Mass	253.085126602
14260	Isotope_Atom_Count	0
4313	TPSA	153
9802545	Rotatable_Bond_Count	4
6437842	Undefined_Atom_Stereo_Count	1
16945	Hydrogen_Bond_Acceptor_Count	0
24883444	Total_Formal_Charge	0
14276	Molecular_Weight	113.20
71309128	Mono_Isotopic_Weight	186.08351711
615	Mono_Isotopic_Weight	230.01915430
6022	Defined_Atom_Stereo_Count	4
1548986	TPSA	56.8
53297414	Isotope_Atom_Count	0
22678982	Structure_Complexity	365
12870589	Isotope_Atom_Count	0
5839	Undefined_Bond_Stereo_Count	0
27430	XLogP3-AA	5
13672886	Defined_Atom_Stereo_Count	0
3082717	Rotatable_Bond_Count	6
24798	Hydrogen_Bond_Donor_Count	0
4884	Covalent_Unit_Count	1
8104	Non-hydrogen_Atom_Count	7
688363	Mono_Isotopic_Weight	238.08412354
92943	Exact_Mass	392.246378268
90470403	Defined_Bond_Stereo_Count	0
123979022	Covalent_Unit_Count	1
485083	Structure_Complexity	78.1
3373	Covalent_Unit_Count	1
90909703	Undefined_Bond_Stereo_Count	2
695356	TPSA	51.5
15213029	TPSA	38.6
5282483	Exact_Mass	506.1173245
14083582	Exact_Mass	114.068079557
54186	Non-hydrogen_Atom_Count	24
5284369	Undefined_Bond_Stereo_Count	0
7126	Hydrogen_Bond_Acceptor_Count	5
10408902	Defined_Atom_Stereo_Count	0
85192	Structure_Complexity	86.2
57784	Hydrogen_Bond_Acceptor_Count	6
15627	Molecular_Weight	160.25
118701745	XLogP3-AA	4.2
874	Non-hydrogen_Atom_Count	9
65275	Non-hydrogen_Atom_Count	12
269842	Structure_Complexity	362
439207	Structure_Complexity	1210
498156	Undefined_Bond_Stereo_Count	0
6432237	Exact_Mass	72.057514874
528405	Isotope_Atom_Count	0
139154214	Hydrogen_Bond_Acceptor_Count	7
10455	Non-hydrogen_Atom_Count	9
16115747	Rotatable_Bond_Count	6
10157484	Hydrogen_Bond_Acceptor_Count	3
74572	XLogP3	3.2
7724	Hydrogen_Bond_Acceptor_Count	1
11443	Non-hydrogen_Atom_Count	13
1561	Isotope_Atom_Count	0
70686473	Non-hydrogen_Atom_Count	28
57441994	Undefined_Atom_Stereo_Count	0
157736	Non-hydrogen_Atom_Count	22
56626	Undefined_Bond_Stereo_Count	0
90202	Non-hydrogen_Atom_Count	15
134032	Hydrogen_Bond_Donor_Count	0
55939	Hydrogen_Bond_Donor_Count	1
44208919	Rotatable_Bond_Count	12
9831414	Hydrogen_Bond_Donor_Count	0
57385877	XLogP3-AA	3
139062526	Non-hydrogen_Atom_Count	20
6962	Tautomer_Count	1
13031981	Undefined_Atom_Stereo_Count	1
5368010	Tautomer_Count	1
41653	Defined_Atom_Stereo_Count	16
11378472	Hydrogen_Bond_Donor_Count	2
21339024	Covalent_Unit_Count	1
5353636	Mono_Isotopic_Weight	225.03857033
71455217	Molecular_Weight	526.5
5280891	XLogP3-AA	2.6
3960	Covalent_Unit_Count	1
5282484	Undefined_Atom_Stereo_Count	0
3856780	Hydrogen_Bond_Acceptor_Count	6
12263095	Isotope_Atom_Count	0
758	Hydrogen_Bond_Acceptor_Count	31
92002571	Non-hydrogen_Atom_Count	25
799	Covalent_Unit_Count	1
71454296	Molecular_Weight	522.3
10238746	Isotope_Atom_Count	0
88715	Covalent_Unit_Count	1
53394153	Structure_Complexity	552
12220383	Isotope_Atom_Count	0
11977	Non-hydrogen_Atom_Count	10
229126	Defined_Bond_Stereo_Count	0
776461	Total_Formal_Charge	0
85705001	Rotatable_Bond_Count	0
12270070	Mono_Isotopic_Weight	87.068413911
5288679	Isotope_Atom_Count	0
24203	Mono_Isotopic_Weight	141.94078407
6918446	Undefined_Bond_Stereo_Count	0
4888	Tautomer_Count	1
54360	Molecular_Weight	418.4
53806072	Undefined_Bond_Stereo_Count	0
90728924	Undefined_Bond_Stereo_Count	0
49862577	Undefined_Atom_Stereo_Count	1
487	Undefined_Atom_Stereo_Count	0
3520	Structure_Complexity	26.3
114794	Hydrogen_Bond_Acceptor_Count	1
57357187	Hydrogen_Bond_Donor_Count	1
126514322	XLogP3-AA	0.2
24891700	Exact_Mass	427.20082506
126981343	Undefined_Bond_Stereo_Count	0
70717	Mono_Isotopic_Weight	113.047678466
3664	Rotatable_Bond_Count	5
80618	TPSA	157
53981464	Rotatable_Bond_Count	2
36879	Rotatable_Bond_Count	4
6883	Total_Formal_Charge	0
13531383	Hydrogen_Bond_Acceptor_Count	2
67742	Defined_Bond_Stereo_Count	0
11599	XLogP3-AA	2.4
52948146	Rotatable_Bond_Count	5
3692772	Structure_Complexity	171
94746	Mono_Isotopic_Weight	114.068079557
108218	Exact_Mass	220.05177804
20568258	Rotatable_Bond_Count	3
9920377	Covalent_Unit_Count	1
6809	Hydrogen_Bond_Donor_Count	1
6955724	Structure_Complexity	402
446201	Total_Formal_Charge	0
57395267	Undefined_Bond_Stereo_Count	0
444305	Covalent_Unit_Count	1
101271814	Isotope_Atom_Count	0
131057	Total_Formal_Charge	0
44205240	Rotatable_Bond_Count	5
45488101	XLogP3-AA	4.4
162918373	TPSA	279
6247	Tautomer_Count	1
141161	Molecular_Weight	136.3
29124	Rotatable_Bond_Count	4
101835694	Isotope_Atom_Count	0
10035228	Tautomer_Count	1
2762921	Hydrogen_Bond_Acceptor_Count	2
25015695	Covalent_Unit_Count	1
86186	Covalent_Unit_Count	1
2735085	Non-hydrogen_Atom_Count	6
54502555	Molecular_Weight	100.16
961	Non-hydrogen_Atom_Count	1
6180	TPSA	91.7
5798	Rotatable_Bond_Count	0
4619	Rotatable_Bond_Count	13
45358055	Defined_Atom_Stereo_Count	4
57399142	Defined_Atom_Stereo_Count	0
476778	Defined_Atom_Stereo_Count	3
54587659	Undefined_Atom_Stereo_Count	0
3162	Total_Formal_Charge	0
6327799	Non-hydrogen_Atom_Count	40
115225	TPSA	32.3
620984	Molecular_Weight	258.4
72554	Molecular_Weight	392.5
5364932	Hydrogen_Bond_Donor_Count	1
79117672	Mono_Isotopic_Weight	111.068413911
60168629	Mono_Isotopic_Weight	381.15762283
836002	Mono_Isotopic_Weight	232.0403406
141427445	Hydrogen_Bond_Donor_Count	0
18338555	Molecular_Weight	126.18
983	Exact_Mass	257.90955735
55290897	Exact_Mass	93.021463719
9571009	Undefined_Atom_Stereo_Count	1
519946	Undefined_Atom_Stereo_Count	0
277767	Non-hydrogen_Atom_Count	18
7090	Total_Formal_Charge	0
87689	XLogP3-AA	6.3
58877	XLogP3-AA	3.4
11850983	Isotope_Atom_Count	0
62414	Hydrogen_Bond_Acceptor_Count	6
36573	Hydrogen_Bond_Acceptor_Count	4
12882458	Undefined_Bond_Stereo_Count	0
155895288	XLogP3-AA	0
12644714	Mono_Isotopic_Weight	112.052429494
9812790	Hydrogen_Bond_Donor_Count	0
22754947	Defined_Atom_Stereo_Count	0
9266	Molecular_Weight	112.21
9863672	Total_Formal_Charge	0
66711	TPSA	31.4
6329567	Rotatable_Bond_Count	5
46926544	Undefined_Atom_Stereo_Count	0
566069	Defined_Bond_Stereo_Count	0
8367	Non-hydrogen_Atom_Count	14
138122	Mono_Isotopic_Weight	41.026549100
77408	Exact_Mass	152.120115130
25271790	Undefined_Bond_Stereo_Count	0
13558	Molecular_Weight	128.25
487	Defined_Atom_Stereo_Count	0
91384976	Mono_Isotopic_Weight	665.30474055
13628993	Covalent_Unit_Count	3
53348188	Rotatable_Bond_Count	15
753	Hydrogen_Bond_Donor_Count	3
56675695	Structure_Complexity	556
60144418	Structure_Complexity	378
66558601	Structure_Complexity	651
48845	Undefined_Bond_Stereo_Count	0
45357473	Undefined_Atom_Stereo_Count	3
39184	Undefined_Atom_Stereo_Count	0
4456484	Exact_Mass	634.11920615
6009	Structure_Complexity	343
10017965	Defined_Bond_Stereo_Count	0
9793926	Structure_Complexity	151
78201192	Defined_Atom_Stereo_Count	0
22697	Defined_Atom_Stereo_Count	0
24825254	Molecular_Weight	510.6
5284329	Total_Formal_Charge	0
18696583	Molecular_Weight	102.18
6580	Rotatable_Bond_Count	1
53629499	Exact_Mass	110.084398327
5330790	Hydrogen_Bond_Donor_Count	3
45345	TPSA	21.7
12240	Undefined_Atom_Stereo_Count	0
3647458	TPSA	41.1
25008940	Total_Formal_Charge	0
68880	Undefined_Bond_Stereo_Count	0
157355	Exact_Mass	344.13186158
86017	Non-hydrogen_Atom_Count	16
58608	TPSA	35.6
5356789	XLogP3	7.6
37995	XLogP3-AA	3.2
493342	Total_Formal_Charge	0
25245437	Defined_Bond_Stereo_Count	1
1477065	Undefined_Atom_Stereo_Count	0
33845	Non-hydrogen_Atom_Count	21
54682468	Total_Formal_Charge	0
12695798	Covalent_Unit_Count	1
133665799	TPSA	40.5
9793703	Exact_Mass	98.059246208
58071	XLogP3-AA	2.7
3082393	Rotatable_Bond_Count	10
558889	TPSA	32.8
43261	Isotope_Atom_Count	0
62956	Hydrogen_Bond_Acceptor_Count	5
9015	Mono_Isotopic_Weight	124.052429494
3083540	Molecular_Weight	385.7
5281233	Mono_Isotopic_Weight	976.37875290
19835	Hydrogen_Bond_Acceptor_Count	2
71355988	Defined_Bond_Stereo_Count	0
9817140	Undefined_Bond_Stereo_Count	0
521863	Rotatable_Bond_Count	2
938021	Undefined_Atom_Stereo_Count	0
1487118	Mono_Isotopic_Weight	348.05800624
24568	Non-hydrogen_Atom_Count	24
439196	Hydrogen_Bond_Acceptor_Count	4
28397	Hydrogen_Bond_Acceptor_Count	2
54585373	Isotope_Atom_Count	0
79345	Isotope_Atom_Count	0
7761	Total_Formal_Charge	0
5986	Hydrogen_Bond_Donor_Count	1
11707110	Rotatable_Bond_Count	5
8351	TPSA	3.2
25071151	Defined_Atom_Stereo_Count	0
6441265	Structure_Complexity	1880
456410	Non-hydrogen_Atom_Count	20
133268468	Mono_Isotopic_Weight	419.34787550
133556498	Structure_Complexity	896
23661867	Exact_Mass	230.00135954
69299	Rotatable_Bond_Count	3
15774823	Hydrogen_Bond_Donor_Count	0
5324288	Undefined_Atom_Stereo_Count	0
77084	Molecular_Weight	188.34
54580	TPSA	106
42645244	Molecular_Weight	477.6
3129049	Structure_Complexity	216
2795	TPSA	23.5
14920524	Molecular_Weight	111.10
362	TPSA	40.5
4040	Hydrogen_Bond_Donor_Count	2
119544	Exact_Mass	304.215078140
9815689	Hydrogen_Bond_Acceptor_Count	3
13205839	Defined_Atom_Stereo_Count	0
6436223	Defined_Bond_Stereo_Count	4
71720685	Hydrogen_Bond_Acceptor_Count	11
1486	Exact_Mass	219.9693994
11040652	Hydrogen_Bond_Donor_Count	0
23682190	Undefined_Bond_Stereo_Count	0
13867124	Exact_Mass	288.183778013
40399	Structure_Complexity	349
381117	Undefined_Bond_Stereo_Count	0
5282548	Hydrogen_Bond_Donor_Count	0
49866901	TPSA	148
57750369	Structure_Complexity	708
71453749	Non-hydrogen_Atom_Count	30
3086674	Undefined_Bond_Stereo_Count	0
12022	Hydrogen_Bond_Acceptor_Count	1
16599	Molecular_Weight	458.0
163050682	Exact_Mass	284.16237386
146808246	Defined_Bond_Stereo_Count	0
5352438	Structure_Complexity	139
5311504	Exact_Mass	428.23514488
154101	Covalent_Unit_Count	1
12561969	Non-hydrogen_Atom_Count	8
5251896	Exact_Mass	303.19467705
161602	Rotatable_Bond_Count	10
638678	Covalent_Unit_Count	1
56968128	Covalent_Unit_Count	1
12318317	Molecular_Weight	131.17
57224326	Isotope_Atom_Count	0
71253	Defined_Bond_Stereo_Count	0
70545463	Mono_Isotopic_Weight	95.073499291
67711	Defined_Atom_Stereo_Count	0
56680336	Hydrogen_Bond_Acceptor_Count	8
126547509	Undefined_Atom_Stereo_Count	0
77213	TPSA	105
12656856	Total_Formal_Charge	0
81457	Tautomer_Count	8
9821849	Total_Formal_Charge	0
8360	Non-hydrogen_Atom_Count	11
23777801	Rotatable_Bond_Count	6
112	Molecular_Weight	213.06
656917	Exact_Mass	294.15009510
6604087	Non-hydrogen_Atom_Count	37
70390	TPSA	41.1
10215	Undefined_Atom_Stereo_Count	0
101778159	Covalent_Unit_Count	1
9837916	Hydrogen_Bond_Donor_Count	1
7777	Covalent_Unit_Count	1
6429278	Non-hydrogen_Atom_Count	8
1597	Molecular_Weight	554.8
83003418	Undefined_Bond_Stereo_Count	0
66162	Molecular_Weight	340.4
23980	Hydrogen_Bond_Acceptor_Count	0
19077552	Exact_Mass	303.162314293
391	Non-hydrogen_Atom_Count	21
21903	Undefined_Bond_Stereo_Count	0
44560911	Structure_Complexity	462
50923	Undefined_Bond_Stereo_Count	0
7837	Hydrogen_Bond_Acceptor_Count	3
4164	Mono_Isotopic_Weight	271.06669983
154108049	Structure_Complexity	156
85538179	Undefined_Atom_Stereo_Count	0
7320	Undefined_Atom_Stereo_Count	0
54675854	Defined_Atom_Stereo_Count	0
57514725	Mono_Isotopic_Weight	451.97248157
13245088	Molecular_Weight	114.14
5780	Hydrogen_Bond_Donor_Count	6
21917690	Isotope_Atom_Count	0
10497540	Rotatable_Bond_Count	4
9904	Undefined_Bond_Stereo_Count	0
15741339	TPSA	29.1
9143	Mono_Isotopic_Weight	202.078250319
367656	Hydrogen_Bond_Donor_Count	0
107282	Covalent_Unit_Count	1
17842350	Defined_Atom_Stereo_Count	0
90281906	Defined_Bond_Stereo_Count	0
8655	Undefined_Bond_Stereo_Count	0
134497943	Isotope_Atom_Count	0
6349	Covalent_Unit_Count	3
56846351	Total_Formal_Charge	0
4581	Structure_Complexity	111
60196273	Hydrogen_Bond_Acceptor_Count	5
11088	Non-hydrogen_Atom_Count	24
1241301	Exact_Mass	196.9371984
118984457	TPSA	2570
4693	Undefined_Atom_Stereo_Count	9
123896575	Rotatable_Bond_Count	1
177323	Defined_Bond_Stereo_Count	0
278150	Structure_Complexity	98.7
66295	Exact_Mass	84.057514874
110862	Defined_Bond_Stereo_Count	0
2752649	Undefined_Atom_Stereo_Count	0
71307528	Non-hydrogen_Atom_Count	73
129847429	Molecular_Weight	360.38
164164517	Isotope_Atom_Count	0
53867497	Molecular_Weight	261.10
6972	Total_Formal_Charge	0
175948	Rotatable_Bond_Count	3
101670359	Molecular_Weight	300.5
680036	Isotope_Atom_Count	0
916113	Mono_Isotopic_Weight	313.08849790
68322085	Molecular_Weight	341.4
3088	Hydrogen_Bond_Donor_Count	1
1672	Total_Formal_Charge	0
20696068	Isotope_Atom_Count	0
102171995	Exact_Mass	312.162648646
90806020	Undefined_Bond_Stereo_Count	0
23631982	Covalent_Unit_Count	1
53316407	Covalent_Unit_Count	2
8393	Undefined_Atom_Stereo_Count	0
44310775	TPSA	73.3
5107	Hydrogen_Bond_Donor_Count	4
1792	XLogP3	2.2
162639102	Undefined_Atom_Stereo_Count	0
31099	Structure_Complexity	254
2355	Non-hydrogen_Atom_Count	16
59164	Isotope_Atom_Count	0
12229396	XLogP3	3.2
23040	Total_Formal_Charge	0
126830	Hydrogen_Bond_Donor_Count	1
166572	Defined_Bond_Stereo_Count	0
134129845	Exact_Mass	1039.43679229
12305037	Rotatable_Bond_Count	8
11815824	Exact_Mass	98.073164938
11590255	Undefined_Atom_Stereo_Count	0
57392964	Rotatable_Bond_Count	6
147594753	Total_Formal_Charge	0
16217634	Hydrogen_Bond_Acceptor_Count	0
17586	Hydrogen_Bond_Donor_Count	0
87329230	Hydrogen_Bond_Donor_Count	1
20200448	Total_Formal_Charge	0
77470	Undefined_Bond_Stereo_Count	0
7455	Isotope_Atom_Count	0
84531	Exact_Mass	152.120115130
76959035	Non-hydrogen_Atom_Count	23
107669	Non-hydrogen_Atom_Count	14
45488108	XLogP3-AA	3.6
454155	XLogP3-AA	6.1
20859	Exact_Mass	104.083729621
60857	Defined_Atom_Stereo_Count	1
3389	Hydrogen_Bond_Donor_Count	0
77753	Exact_Mass	212.07452486
42185	TPSA	65.1
20116902	Undefined_Atom_Stereo_Count	2
20165534	Total_Formal_Charge	0
12187	Hydrogen_Bond_Acceptor_Count	1
12741658	Molecular_Weight	100.12
187888	Hydrogen_Bond_Acceptor_Count	4
71309128	TPSA	110
149798	Total_Formal_Charge	0
4551	TPSA	51.1
887824	XLogP3-AA	2.4
153627081	Exact_Mass	102.079312947
6843	Undefined_Atom_Stereo_Count	0
704316	XLogP3-AA	2
65014	Defined_Atom_Stereo_Count	0
4395139	Hydrogen_Bond_Acceptor_Count	1
101771	Mono_Isotopic_Weight	334.25079494
90735699	Mono_Isotopic_Weight	111.068413911
87254	Undefined_Atom_Stereo_Count	0
72614909	Undefined_Atom_Stereo_Count	0
135052535	Exact_Mass	116.047344113
5534	Tautomer_Count	1
62465	Mono_Isotopic_Weight	152.083729621
16170150	XLogP3-AA	10.7
11194316	Defined_Bond_Stereo_Count	0
138924	Defined_Atom_Stereo_Count	0
6426854	XLogP3-AA	6.6
1013376	Non-hydrogen_Atom_Count	26
155903698	Covalent_Unit_Count	1
60196440	Hydrogen_Bond_Donor_Count	2
9085	Structure_Complexity	189
85538179	Hydrogen_Bond_Acceptor_Count	3
44590515	Hydrogen_Bond_Donor_Count	2
1069	Defined_Bond_Stereo_Count	0
145858	Exact_Mass	207.080989970
941361	Total_Formal_Charge	0
2734040	Defined_Atom_Stereo_Count	0
27627	Exact_Mass	98.073164938
3628	Hydrogen_Bond_Acceptor_Count	10
1884	Non-hydrogen_Atom_Count	15
10877070	Isotope_Atom_Count	0
56680337	Defined_Bond_Stereo_Count	0
3554	Hydrogen_Bond_Donor_Count	3
3036222	Covalent_Unit_Count	1
46883307	Undefined_Bond_Stereo_Count	0
15122	Rotatable_Bond_Count	2
6241	Hydrogen_Bond_Donor_Count	4
667497	Hydrogen_Bond_Acceptor_Count	2
68794	Undefined_Atom_Stereo_Count	3
140376	Molecular_Weight	108.14
5459830	Undefined_Bond_Stereo_Count	0
174076	Isotope_Atom_Count	0
447340	Hydrogen_Bond_Acceptor_Count	3
53316386	Undefined_Bond_Stereo_Count	0
14172370	Defined_Atom_Stereo_Count	0
7941	Rotatable_Bond_Count	2
56928187	Hydrogen_Bond_Acceptor_Count	10
123328983	Undefined_Bond_Stereo_Count	0
135449281	Undefined_Atom_Stereo_Count	0
11482181	Non-hydrogen_Atom_Count	19
4585667	Tautomer_Count	3
712078	Hydrogen_Bond_Acceptor_Count	4
135449284	Undefined_Atom_Stereo_Count	3
3264	Total_Formal_Charge	0
13721	Tautomer_Count	1
642661	Defined_Atom_Stereo_Count	0
79050	Total_Formal_Charge	0
381525	Hydrogen_Bond_Donor_Count	2
2723816	Defined_Atom_Stereo_Count	0
101254314	Non-hydrogen_Atom_Count	12
27655	Undefined_Atom_Stereo_Count	1
132274080	XLogP3	4.2
6064	Structure_Complexity	875
105031	TPSA	101
94242	Exact_Mass	152.0392780
456468	Structure_Complexity	93.1
40550	Mono_Isotopic_Weight	267.05179866
17131	Total_Formal_Charge	0
157455	Isotope_Atom_Count	0
21331	Isotope_Atom_Count	0
18980923	Isotope_Atom_Count	0
12259685	Rotatable_Bond_Count	2
40467849	Defined_Bond_Stereo_Count	0
59048761	Mono_Isotopic_Weight	342.11621151
139243814	Hydrogen_Bond_Acceptor_Count	0
1576	Total_Formal_Charge	0
13416	TPSA	20.2
77097	Rotatable_Bond_Count	4
49692	Molecular_Weight	379.4
11294	Total_Formal_Charge	0
118052411	Defined_Bond_Stereo_Count	0
25185057	Mono_Isotopic_Weight	507.30184471
79137	TPSA	35.5
12539494	Mono_Isotopic_Weight	94.078250319
43184	Covalent_Unit_Count	2
53486702	Rotatable_Bond_Count	6
153448834	Covalent_Unit_Count	1
148119	Covalent_Unit_Count	1
10723	Isotope_Atom_Count	0
78420	XLogP3	2.4
7380	Total_Formal_Charge	0
1980698	Structure_Complexity	346
573598	Total_Formal_Charge	0
483	Isotope_Atom_Count	0
11284883	Rotatable_Bond_Count	0
91563	Isotope_Atom_Count	0
21319	Mono_Isotopic_Weight	453.0561477
81133	Undefined_Bond_Stereo_Count	0
98452	Exact_Mass	116.047344113
44296776	Molecular_Weight	490.7
19390240	Undefined_Atom_Stereo_Count	0
136059	Defined_Bond_Stereo_Count	0
953	Structure_Complexity	200
10310138	Isotope_Atom_Count	0
60877	Defined_Atom_Stereo_Count	2
63055	Molecular_Weight	482.6
59799570	Hydrogen_Bond_Donor_Count	3
16124208	Total_Formal_Charge	0
6643	Hydrogen_Bond_Donor_Count	1
123692	Defined_Atom_Stereo_Count	0
137184495	Covalent_Unit_Count	1
68551	Covalent_Unit_Count	2
31068	Structure_Complexity	440
29758	Structure_Complexity	158
91420197	Isotope_Atom_Count	0
865974	Hydrogen_Bond_Acceptor_Count	5
51030987	Structure_Complexity	647
123608	Undefined_Bond_Stereo_Count	0
164075219	Exact_Mass	106.078250319
13927379	Rotatable_Bond_Count	4
62276	Total_Formal_Charge	0
255680	Exact_Mass	191.058243149
2640	Hydrogen_Bond_Donor_Count	3
518516	XLogP3-AA	3.4
2759227	Covalent_Unit_Count	1
4306127	Defined_Bond_Stereo_Count	0
600269	Isotope_Atom_Count	0
3068840	Structure_Complexity	443
12097423	Defined_Bond_Stereo_Count	0
398593	Exact_Mass	293.14666
66487	Hydrogen_Bond_Acceptor_Count	5
24483	XLogP3	5.7
7588	Exact_Mass	298.168127949
86806	TPSA	199
99764	Rotatable_Bond_Count	0
101527072	Rotatable_Bond_Count	0
544	Hydrogen_Bond_Donor_Count	0
140180	Isotope_Atom_Count	0
6649	Structure_Complexity	516
91612119	Covalent_Unit_Count	1
153939154	Hydrogen_Bond_Donor_Count	0
5319	Undefined_Bond_Stereo_Count	0
76134	Exact_Mass	174.115698455
70509	Exact_Mass	217.93787
22137184	Mono_Isotopic_Weight	98.073164938
16760159	Tautomer_Count	3
1142	Undefined_Atom_Stereo_Count	5
60196327	Covalent_Unit_Count	2
163284980	Total_Formal_Charge	0
11310242	Undefined_Bond_Stereo_Count	0
135456161	Undefined_Bond_Stereo_Count	0
160419	Non-hydrogen_Atom_Count	8
43815	Defined_Atom_Stereo_Count	2
91486	Total_Formal_Charge	0
144813235	TPSA	52.3
6917793	Molecular_Weight	408.5
59680984	Undefined_Atom_Stereo_Count	2
6662	Undefined_Bond_Stereo_Count	0
18974460	Exact_Mass	115.026943022
34676239	Rotatable_Bond_Count	5
21024274	Molecular_Weight	118.17
1745	Defined_Bond_Stereo_Count	0
18591	Mono_Isotopic_Weight	128.156500638
7074810	TPSA	74.6
135546352	Total_Formal_Charge	0
2752648	Mono_Isotopic_Weight	110.073164938
86200	Non-hydrogen_Atom_Count	17
25262965	Hydrogen_Bond_Donor_Count	1
66425	Total_Formal_Charge	0
637572	Tautomer_Count	1
9820186	TPSA	96.6
129909860	Undefined_Atom_Stereo_Count	0
57435862	Undefined_Atom_Stereo_Count	0
70191	Exact_Mass	123.03539970
69460	Total_Formal_Charge	0
601401	Hydrogen_Bond_Donor_Count	0
62034	Undefined_Bond_Stereo_Count	0
4038	Tautomer_Count	4
708	TPSA	113
10374	Defined_Atom_Stereo_Count	0
50983	Defined_Atom_Stereo_Count	0
30843	Non-hydrogen_Atom_Count	27
673664	Isotope_Atom_Count	0
32743	Exact_Mass	86.036779430
72168	Hydrogen_Bond_Acceptor_Count	7
68760	Non-hydrogen_Atom_Count	20
427842	Defined_Bond_Stereo_Count	0
123131999	Rotatable_Bond_Count	2
24643	Exact_Mass	236.934287
13628993	Hydrogen_Bond_Acceptor_Count	2
4448	Covalent_Unit_Count	1
96772	Total_Formal_Charge	0
9915886	Rotatable_Bond_Count	7
69021	Defined_Bond_Stereo_Count	0
7861	Undefined_Bond_Stereo_Count	0
165777539	Hydrogen_Bond_Donor_Count	0
21872909	Mono_Isotopic_Weight	648.29413356
77487	Structure_Complexity	118
62425	Covalent_Unit_Count	3
11550876	Total_Formal_Charge	0
34312	Hydrogen_Bond_Acceptor_Count	2
91884833	Structure_Complexity	688
90346255	Hydrogen_Bond_Acceptor_Count	6
9959269	Defined_Bond_Stereo_Count	0
58265190	Exact_Mass	180.06338810
11669987	TPSA	88
72073	Exact_Mass	162.042927438
12817963	Hydrogen_Bond_Donor_Count	1
443404	Tautomer_Count	3
138319688	Undefined_Bond_Stereo_Count	0
1803	Mono_Isotopic_Weight	243.08552052
68658	Molecular_Weight	313.22
683214	Exact_Mass	315.12190603
5507	Undefined_Atom_Stereo_Count	0
12251749	Undefined_Bond_Stereo_Count	0
3086674	Undefined_Atom_Stereo_Count	0
67752	Undefined_Bond_Stereo_Count	0
9933991	Non-hydrogen_Atom_Count	3
16659682	Rotatable_Bond_Count	6
69424	Hydrogen_Bond_Acceptor_Count	1
5622	TPSA	72.9
10465	Undefined_Bond_Stereo_Count	0
3884	Exact_Mass	242.094294304
413539	Isotope_Atom_Count	0
73707	Exact_Mass	575.6805
440728	Undefined_Bond_Stereo_Count	0
56677003	Exact_Mass	507.1785654
7041	Undefined_Bond_Stereo_Count	0
4283516	TPSA	231
12986	Molecular_Weight	84.16
14912114	Molecular_Weight	106.16
155810229	Defined_Bond_Stereo_Count	0
32423	TPSA	73.2
91399390	Covalent_Unit_Count	1
11396600	Rotatable_Bond_Count	7
21720742	Undefined_Bond_Stereo_Count	0
66986	Molecular_Weight	246.81
224242	Mono_Isotopic_Weight	100.088815002
65667	TPSA	118
70789197	Defined_Bond_Stereo_Count	0
12385939	Non-hydrogen_Atom_Count	8
11423572	Hydrogen_Bond_Acceptor_Count	2
71360	XLogP3-AA	4.1
13992155	XLogP3-AA	6.6
130032075	XLogP3-AA	0.8
8073	TPSA	26.3
738541	Hydrogen_Bond_Donor_Count	1
17931	XLogP3	3.6
10567	Isotope_Atom_Count	0
51397006	Structure_Complexity	606
15174929	Mono_Isotopic_Weight	404.19473662
60335	Hydrogen_Bond_Acceptor_Count	2
10883551	Exact_Mass	100.052429494
448051	Hydrogen_Bond_Acceptor_Count	6
5280453	Undefined_Atom_Stereo_Count	0
4906	Non-hydrogen_Atom_Count	16
135408964	Exact_Mass	452.2230560
258618	Defined_Atom_Stereo_Count	0
83003418	Undefined_Atom_Stereo_Count	0
92094	Defined_Bond_Stereo_Count	0
5489120	Undefined_Atom_Stereo_Count	0
1732	Non-hydrogen_Atom_Count	9
101955	Mono_Isotopic_Weight	102.0086696
10110	Covalent_Unit_Count	1
65761	Molecular_Weight	193.22
13487335	Defined_Atom_Stereo_Count	0
7077	Undefined_Atom_Stereo_Count	0
34515	Undefined_Atom_Stereo_Count	2
11763533	Non-hydrogen_Atom_Count	37
396765	Hydrogen_Bond_Acceptor_Count	2
29079	Mono_Isotopic_Weight	240.03823598
15209693	Covalent_Unit_Count	1
1469	Undefined_Atom_Stereo_Count	1
73353577	Exact_Mass	358.0655100
20623563	Mono_Isotopic_Weight	109.052763847
21673601	Hydrogen_Bond_Donor_Count	1
2218	Non-hydrogen_Atom_Count	24
440064	Defined_Atom_Stereo_Count	2
22464	Hydrogen_Bond_Acceptor_Count	2
118098295	Hydrogen_Bond_Acceptor_Count	11
14675	Structure_Complexity	363
57753	Molecular_Weight	336.4
70308	XLogP3	3
20653	Covalent_Unit_Count	1
9904	Undefined_Atom_Stereo_Count	0
79724	Hydrogen_Bond_Donor_Count	2
156599213	Covalent_Unit_Count	1
57735	Undefined_Bond_Stereo_Count	0
5362124	Defined_Bond_Stereo_Count	0
73303	Covalent_Unit_Count	1
17313	Molecular_Weight	148.63
6433345	Non-hydrogen_Atom_Count	58
724228	Total_Formal_Charge	0
39040	Exact_Mass	189.03606841
53708	Hydrogen_Bond_Donor_Count	2
4651115	Undefined_Bond_Stereo_Count	3
52940942	Exact_Mass	417.13002593
104838	Mono_Isotopic_Weight	299.09397721
15710945	Undefined_Bond_Stereo_Count	0
21058180	Undefined_Bond_Stereo_Count	0
14895	Hydrogen_Bond_Acceptor_Count	10
4730	Undefined_Atom_Stereo_Count	3
71448984	Structure_Complexity	61.1
2755260	Exact_Mass	270.104465066
98488	Defined_Atom_Stereo_Count	0
115205	Rotatable_Bond_Count	13
20388	Molecular_Weight	534.1
160355	Non-hydrogen_Atom_Count	26
5365748	Undefined_Atom_Stereo_Count	0
77016	Non-hydrogen_Atom_Count	21
3855171	Structure_Complexity	375
16237	Rotatable_Bond_Count	5
247839	Hydrogen_Bond_Donor_Count	1
446987	Defined_Bond_Stereo_Count	0
53720955	Exact_Mass	109.052763847
15615	Exact_Mass	98.084398327
980	Mono_Isotopic_Weight	139.026943022
3140955	Undefined_Bond_Stereo_Count	0
68365445	Defined_Bond_Stereo_Count	0
129808802	TPSA	26
11597936	Hydrogen_Bond_Donor_Count	1
46934352	Undefined_Bond_Stereo_Count	0
153386900	Structure_Complexity	125
5284583	Covalent_Unit_Count	1
5380876	Undefined_Atom_Stereo_Count	1
10411334	Defined_Bond_Stereo_Count	0
6169	TPSA	65.6
134694358	Defined_Atom_Stereo_Count	4
4126474	Isotope_Atom_Count	0
20297542	Undefined_Atom_Stereo_Count	0
11106352	Rotatable_Bond_Count	0
75979	Hydrogen_Bond_Acceptor_Count	2
11779772	Isotope_Atom_Count	0
8743	Covalent_Unit_Count	1
1548887	Total_Formal_Charge	0
166734	Total_Formal_Charge	0
18626418	Mono_Isotopic_Weight	118.062994177
12510709	Rotatable_Bond_Count	4
124225	Undefined_Atom_Stereo_Count	1
119476	Tautomer_Count	1
10850	XLogP3-AA	8.9
84589	Defined_Atom_Stereo_Count	0
121595921	Mono_Isotopic_Weight	868.56604061
102106219	Non-hydrogen_Atom_Count	11
60144418	XLogP3-AA	2.5
6515535	Isotope_Atom_Count	0
84647662	Defined_Atom_Stereo_Count	0
6419928	Undefined_Atom_Stereo_Count	0
24721009	Exact_Mass	280.1706265
163050684	TPSA	57.2
72200940	Hydrogen_Bond_Donor_Count	1
8858	Molecular_Weight	98.14
7015191	Hydrogen_Bond_Acceptor_Count	2
12265	Covalent_Unit_Count	1
20165534	Hydrogen_Bond_Donor_Count	0
10474	Undefined_Atom_Stereo_Count	0
20194949	Covalent_Unit_Count	1
529308	Molecular_Weight	86.13
49862578	Undefined_Atom_Stereo_Count	1
50895	Mono_Isotopic_Weight	361.0328700
3081304	Exact_Mass	404.9865439
60496	Defined_Bond_Stereo_Count	0
154066059	Molecular_Weight	110.07
21915946	Total_Formal_Charge	0
17126	Isotope_Atom_Count	0
471161	Isotope_Atom_Count	0
24802493	Non-hydrogen_Atom_Count	43
75282141	Hydrogen_Bond_Donor_Count	0
137319701	Defined_Bond_Stereo_Count	1
4816	Tautomer_Count	1
17567	Total_Formal_Charge	0
12971800	Molecular_Weight	598.6
55652	Rotatable_Bond_Count	4
76344	Total_Formal_Charge	0
60196377	Structure_Complexity	110
15909	Molecular_Weight	146.19
9571044	Hydrogen_Bond_Donor_Count	1
22096	Hydrogen_Bond_Donor_Count	0
11458	Defined_Bond_Stereo_Count	0
5282227	Hydrogen_Bond_Acceptor_Count	7
137724	Tautomer_Count	1
1725	Non-hydrogen_Atom_Count	10
17963315	Hydrogen_Bond_Donor_Count	1
60196413	Defined_Atom_Stereo_Count	0
4744	Undefined_Bond_Stereo_Count	0
228506	Total_Formal_Charge	0
17432	Exact_Mass	245.918817
21718270	TPSA	63.4
15365	Tautomer_Count	1
6529	Molecular_Weight	368.4
6431038	Defined_Atom_Stereo_Count	0
642132	Undefined_Bond_Stereo_Count	0
71024610	Hydrogen_Bond_Donor_Count	8
176907	Non-hydrogen_Atom_Count	19
476	Isotope_Atom_Count	0
70685868	Molecular_Weight	478.5
53316386	Undefined_Atom_Stereo_Count	0
2743	XLogP3	3.4
4928	Undefined_Atom_Stereo_Count	0
9841240	Undefined_Bond_Stereo_Count	0
2585	Hydrogen_Bond_Acceptor_Count	5
231405	Isotope_Atom_Count	0
9865233	Isotope_Atom_Count	0
3153	Hydrogen_Bond_Acceptor_Count	3
22463839	Exact_Mass	107.073499291
4510	Molecular_Weight	227.09
154017157	Undefined_Bond_Stereo_Count	0
86384	Undefined_Atom_Stereo_Count	0
3032536	Covalent_Unit_Count	3
14919832	Total_Formal_Charge	0
10435916	Structure_Complexity	877
45120354	Hydrogen_Bond_Acceptor_Count	2
18459757	Defined_Bond_Stereo_Count	0
442070	Non-hydrogen_Atom_Count	26
2440	XLogP3	2.1
180559	Molecular_Weight	266.34
616573	Non-hydrogen_Atom_Count	18
2752638	Covalent_Unit_Count	1
44392096	Non-hydrogen_Atom_Count	37
11546	XLogP3-AA	1.6
2331	Hydrogen_Bond_Acceptor_Count	1
4814	Undefined_Bond_Stereo_Count	0
67570	Defined_Bond_Stereo_Count	0
35758	Defined_Atom_Stereo_Count	0
20448998	Defined_Bond_Stereo_Count	0
4160	Exact_Mass	302.224580195
240534	Rotatable_Bond_Count	4
11391	Tautomer_Count	1
61583	Non-hydrogen_Atom_Count	18
15211200	Isotope_Atom_Count	0
3191	XLogP3-AA	7.2
6977135	Total_Formal_Charge	0
6918663	Defined_Atom_Stereo_Count	0
86209	Isotope_Atom_Count	0
139079642	Hydrogen_Bond_Acceptor_Count	1
62781	Molecular_Weight	149.66
4609	Structure_Complexity	191
9131	Covalent_Unit_Count	1
11178236	Isotope_Atom_Count	0
54655	TPSA	36.9
141103237	Exact_Mass	116.083729621
16654936	Exact_Mass	542.1853503
87060437	XLogP3-AA	5.1
73829111	XLogP3-AA	1.8
3036746	Total_Formal_Charge	0
44563	Non-hydrogen_Atom_Count	29
62556	Mono_Isotopic_Weight	352.11581759
98266	Defined_Bond_Stereo_Count	0
12487261	Hydrogen_Bond_Donor_Count	1
23723057	Mono_Isotopic_Weight	274.9752131
524213	Defined_Bond_Stereo_Count	0
121892	Exact_Mass	303.13830499
11192129	Total_Formal_Charge	0
23681233	Structure_Complexity	544
3265	Isotope_Atom_Count	0
319954	Defined_Atom_Stereo_Count	0
71676045	Hydrogen_Bond_Acceptor_Count	10
622923	XLogP3-AA	4.5
50897	Molecular_Weight	383.4
20280	Rotatable_Bond_Count	15
59290	TPSA	186
7452	XLogP3	1.5
448071	Mono_Isotopic_Weight	84.093900383
3255932	Defined_Atom_Stereo_Count	0
14120450	XLogP3-AA	2.5
90235	TPSA	70.3
11178236	Hydrogen_Bond_Donor_Count	0
5124249	Molecular_Weight	220.27
10158453	Exact_Mass	409.0914706
25457	Total_Formal_Charge	0
11297955	TPSA	35.5
52940883	Total_Formal_Charge	0
2762887	Defined_Bond_Stereo_Count	0
57403867	Hydrogen_Bond_Donor_Count	3
4477	Mono_Isotopic_Weight	325.9861121
5752	Structure_Complexity	214
192706	Mono_Isotopic_Weight	337.17902698
4093	Exact_Mass	86.036779430
220486	Undefined_Bond_Stereo_Count	0
17882607	Hydrogen_Bond_Donor_Count	0
94781	Rotatable_Bond_Count	4
25526	TPSA	175
53883934	Molecular_Weight	112.17
3972	Total_Formal_Charge	0
6410621	Undefined_Atom_Stereo_Count	0
185902	Undefined_Bond_Stereo_Count	0
21973740	Undefined_Bond_Stereo_Count	0
703128	Isotope_Atom_Count	0
29096	Structure_Complexity	116
36246	Defined_Bond_Stereo_Count	0
13134	Total_Formal_Charge	0
10942665	TPSA	43.4
2729	Isotope_Atom_Count	0
6435836	Hydrogen_Bond_Acceptor_Count	8
42525	Undefined_Bond_Stereo_Count	0
51381	Undefined_Atom_Stereo_Count	0
9837243	Tautomer_Count	6
18032	Exact_Mass	322.05652664
6990	Structure_Complexity	155
76720	XLogP3-AA	0.7
6627	TPSA	0
60196293	Exact_Mass	372.1404692
21585139	Hydrogen_Bond_Acceptor_Count	1
633366	Structure_Complexity	335
10636633	Non-hydrogen_Atom_Count	19
9885889	Rotatable_Bond_Count	2
5498	Defined_Bond_Stereo_Count	0
210301	Covalent_Unit_Count	2
95228	Structure_Complexity	225
53682689	Undefined_Atom_Stereo_Count	2
150899	Exact_Mass	240.187800766
141140026	Defined_Bond_Stereo_Count	0
67678949	Hydrogen_Bond_Donor_Count	0
1973	Structure_Complexity	564
57112474	Molecular_Weight	114.19
153308419	Rotatable_Bond_Count	3
2775641	Undefined_Atom_Stereo_Count	3
129738164	Structure_Complexity	684
25171666	Undefined_Atom_Stereo_Count	0
37612	Rotatable_Bond_Count	3
17571562	Rotatable_Bond_Count	3
11363	Total_Formal_Charge	0
93320	Covalent_Unit_Count	1
750284	Hydrogen_Bond_Donor_Count	1
11416	Isotope_Atom_Count	0
73977860	Isotope_Atom_Count	0
442474	Tautomer_Count	1
7566642	TPSA	1
2218	Undefined_Bond_Stereo_Count	0
21702741	Total_Formal_Charge	0
236666	Rotatable_Bond_Count	0
72200444	Isotope_Atom_Count	0
22611003	Hydrogen_Bond_Acceptor_Count	4
70989	Undefined_Bond_Stereo_Count	0
11054313	XLogP3-AA	3
10891	Non-hydrogen_Atom_Count	9
135542606	Defined_Atom_Stereo_Count	0
92667	Total_Formal_Charge	0
21031	Covalent_Unit_Count	1
11831	Total_Formal_Charge	0
979919	Hydrogen_Bond_Donor_Count	2
11829353	Total_Formal_Charge	0
132420	Structure_Complexity	451
44359653	Undefined_Bond_Stereo_Count	0
142566105	Covalent_Unit_Count	1
5279171	Defined_Bond_Stereo_Count	0
133268464	Hydrogen_Bond_Donor_Count	21
137264	Covalent_Unit_Count	1
44126086	Hydrogen_Bond_Acceptor_Count	5
141689	Rotatable_Bond_Count	0
12529691	Isotope_Atom_Count	0
12699188	Exact_Mass	100.100048391
30868	XLogP3-AA	8.1
91827561	Non-hydrogen_Atom_Count	65
69095	Hydrogen_Bond_Acceptor_Count	6
53947	Isotope_Atom_Count	0
14405863	Covalent_Unit_Count	1
69787	Undefined_Atom_Stereo_Count	0
42790	Exact_Mass	630.14908
68740500	Undefined_Bond_Stereo_Count	0
12241264	Isotope_Atom_Count	0
13238893	Hydrogen_Bond_Donor_Count	0
15951420	Defined_Bond_Stereo_Count	0
380929	Hydrogen_Bond_Donor_Count	4
90613	Non-hydrogen_Atom_Count	16
29976	Covalent_Unit_Count	3
443945	Undefined_Bond_Stereo_Count	0
5354043	Total_Formal_Charge	0
6440877	Isotope_Atom_Count	0
9935073	Covalent_Unit_Count	1
74413	Undefined_Atom_Stereo_Count	0
12609613	TPSA	20.2
25014844	TPSA	86.2
88294	Structure_Complexity	218
9854012	Exact_Mass	774.9483145
15433	Hydrogen_Bond_Acceptor_Count	1
14337	Total_Formal_Charge	0
76196	Molecular_Weight	238.3
147630	TPSA	24.1
289460	Defined_Bond_Stereo_Count	0
5288390	Defined_Bond_Stereo_Count	0
148539	Exact_Mass	132.0341926
69275	Isotope_Atom_Count	0
71433133	Rotatable_Bond_Count	0
72200444	Defined_Bond_Stereo_Count	0
124402108	Structure_Complexity	382
22645860	Non-hydrogen_Atom_Count	7
13838145	Total_Formal_Charge	0
53756508	Rotatable_Bond_Count	1
54681041	TPSA	206
23349	Covalent_Unit_Count	1
177708	Non-hydrogen_Atom_Count	1
30209	Defined_Atom_Stereo_Count	0
10465	Undefined_Atom_Stereo_Count	0
1206	Tautomer_Count	1
10658	Mono_Isotopic_Weight	186.031694049
46930044	Isotope_Atom_Count	0
115171944	Covalent_Unit_Count	1
19958	Rotatable_Bond_Count	2
2853	Rotatable_Bond_Count	8
82362	Hydrogen_Bond_Acceptor_Count	13
20838085	Hydrogen_Bond_Donor_Count	3
91053206	Undefined_Atom_Stereo_Count	1
942	Isotope_Atom_Count	0
25315	Undefined_Atom_Stereo_Count	1
67591	TPSA	44.8
54584750	TPSA	130
102032439	Rotatable_Bond_Count	2
87844	Undefined_Bond_Stereo_Count	0
10336	Undefined_Bond_Stereo_Count	1
87963836	Undefined_Bond_Stereo_Count	0
5610	Defined_Atom_Stereo_Count	0
22203	Hydrogen_Bond_Acceptor_Count	5
54686764	TPSA	182
22397445	Undefined_Atom_Stereo_Count	0
53861228	TPSA	9.2
443716	Undefined_Atom_Stereo_Count	0
94297	Defined_Bond_Stereo_Count	0
4224596	Undefined_Atom_Stereo_Count	0
91495606	Non-hydrogen_Atom_Count	8
7667	Tautomer_Count	1
51701	Isotope_Atom_Count	0
15953	Hydrogen_Bond_Donor_Count	0
277767	TPSA	54.4
316975	Covalent_Unit_Count	1
55212037	Mono_Isotopic_Weight	112.027277375
138023	Undefined_Atom_Stereo_Count	2
47640	Defined_Bond_Stereo_Count	0
57090177	TPSA	28.7
60785	TPSA	52.2
15778	Defined_Bond_Stereo_Count	0
237546	Total_Formal_Charge	0
14197638	TPSA	26
134689013	Hydrogen_Bond_Acceptor_Count	3
10459649	Hydrogen_Bond_Donor_Count	2
274075	TPSA	58.1
13035	Defined_Atom_Stereo_Count	0
249332	TPSA	254
20565024	Total_Formal_Charge	0
12799845	Isotope_Atom_Count	0
8899	Exact_Mass	243.219829168
154515463	Undefined_Atom_Stereo_Count	1
9855455	Mono_Isotopic_Weight	101.047678466
9699	Exact_Mass	133.090292168
23939	TPSA	0
594832	Rotatable_Bond_Count	1
11700696	Molecular_Weight	851.4
11088	Defined_Atom_Stereo_Count	0
71458921	XLogP3-AA	2.2
135465079	Mono_Isotopic_Weight	194.105527694
6946312	Non-hydrogen_Atom_Count	10
53756508	XLogP3-AA	0.1
59310309	Undefined_Atom_Stereo_Count	0
9888340	Undefined_Bond_Stereo_Count	0
107196	Defined_Bond_Stereo_Count	0
7272	Total_Formal_Charge	0
7093	XLogP3	3.4
1549018	Molecular_Weight	164.24
61900360	Undefined_Bond_Stereo_Count	0
5371102	Rotatable_Bond_Count	6
22160814	Hydrogen_Bond_Acceptor_Count	2
11980076	Tautomer_Count	1000
89399042	Hydrogen_Bond_Acceptor_Count	2
20775240	Mono_Isotopic_Weight	130.123189134
70695654	Total_Formal_Charge	0
129800133	Total_Formal_Charge	0
9191	XLogP3-AA	3.4
12251749	Defined_Atom_Stereo_Count	0
54676715	Undefined_Bond_Stereo_Count	0
14866914	Molecular_Weight	102.09
6419719	Defined_Bond_Stereo_Count	0
76589	XLogP3-AA	2.6
22224160	Structure_Complexity	151
15885752	Rotatable_Bond_Count	2
48671	TPSA	39.2
75321	Defined_Bond_Stereo_Count	0
5462212	Exact_Mass	919.23532538
572516	Defined_Atom_Stereo_Count	0
11867	Rotatable_Bond_Count	1
5282165	Structure_Complexity	1390
54688694	Molecular_Weight	459.4
197998	Total_Formal_Charge	0
850501	Non-hydrogen_Atom_Count	25
1083	Defined_Bond_Stereo_Count	0
11855	Isotope_Atom_Count	0
140334	Non-hydrogen_Atom_Count	14
50023	Structure_Complexity	255
91788	Undefined_Atom_Stereo_Count	1
2734122	Rotatable_Bond_Count	3
59189059	Covalent_Unit_Count	1
14502691	TPSA	12
67050	Rotatable_Bond_Count	0
6763	Exact_Mass	208.052429494
73981	Defined_Atom_Stereo_Count	0
7984	Structure_Complexity	201
11379626	Mono_Isotopic_Weight	247.099714038
22596859	Defined_Bond_Stereo_Count	0
123650722	Non-hydrogen_Atom_Count	47
11953895	TPSA	139
5282181	Hydrogen_Bond_Donor_Count	2
10456134	Mono_Isotopic_Weight	444.25118886
419490	Exact_Mass	125.047678466
107780	Isotope_Atom_Count	0
91469693	Exact_Mass	96.057514874
7665	XLogP3-AA	2.8
5284554	Exact_Mass	1059.74333626
12709	Hydrogen_Bond_Donor_Count	0
16600	Total_Formal_Charge	0
44310775	Mono_Isotopic_Weight	375.21580641
14453672	Molecular_Weight	114.19
23690943	Hydrogen_Bond_Acceptor_Count	19
126280	Isotope_Atom_Count	0
129796414	Hydrogen_Bond_Donor_Count	0
6537498	Structure_Complexity	188
20498	Rotatable_Bond_Count	5
34533	Rotatable_Bond_Count	3
5903	Exact_Mass	570.25120612
54687772	Defined_Atom_Stereo_Count	1
848667	Isotope_Atom_Count	0
71311337	Tautomer_Count	1
11961423	Structure_Complexity	76.8
133741	Molecular_Weight	276.37
11167602	Rotatable_Bond_Count	5
131664136	Rotatable_Bond_Count	36
12560	Hydrogen_Bond_Acceptor_Count	14
439260	Exact_Mass	169.07389321
36538	Isotope_Atom_Count	0
520301	TPSA	12
135445749	Isotope_Atom_Count	0
16219464	Hydrogen_Bond_Donor_Count	11
70978	Exact_Mass	180.03106078
87428	Structure_Complexity	143
11661758	Hydrogen_Bond_Donor_Count	4
118705485	Structure_Complexity	426
3090044	Non-hydrogen_Atom_Count	14
5363097	Exact_Mass	252.245315640
38455	Total_Formal_Charge	0
85792900	Undefined_Bond_Stereo_Count	0
25235747	Defined_Bond_Stereo_Count	0
6918524	Defined_Atom_Stereo_Count	0
59704100	Undefined_Atom_Stereo_Count	2
56973549	Defined_Atom_Stereo_Count	0
6537213	Hydrogen_Bond_Donor_Count	2
24884488	Defined_Bond_Stereo_Count	0
413260	Undefined_Bond_Stereo_Count	0
7618	Molecular_Weight	149.19
154522874	Exact_Mass	98.084398327
21952893	Isotope_Atom_Count	0
11957515	Defined_Bond_Stereo_Count	0
87468088	Defined_Atom_Stereo_Count	0
1437	Exact_Mass	322.25079494
1412	TPSA	77.8
70848	Rotatable_Bond_Count	2
61635	Defined_Atom_Stereo_Count	0
2220	Defined_Bond_Stereo_Count	0
58087	Covalent_Unit_Count	1
20226552	Exact_Mass	112.027277375
97842	Isotope_Atom_Count	0
154269	Molecular_Weight	164.11
10855428	Total_Formal_Charge	0
90479	Covalent_Unit_Count	1
44230999	TPSA	128
6436633	Rotatable_Bond_Count	12
23676225	Tautomer_Count	2
136081	Tautomer_Count	1
14765771	TPSA	49.8
37933	Structure_Complexity	414
40391	Hydrogen_Bond_Donor_Count	0
158032	TPSA	45.8
11476460	Mono_Isotopic_Weight	450.08529741
8842	Undefined_Atom_Stereo_Count	1
5236	Structure_Complexity	37.4
57928403	Molecular_Weight	326.4
18522786	Exact_Mass	109.052763847
443100	Isotope_Atom_Count	0
123899588	TPSA	0
69677	Molecular_Weight	134.06
2729103	Defined_Atom_Stereo_Count	0
78759	Total_Formal_Charge	0
6918204	Hydrogen_Bond_Donor_Count	14
575408	Undefined_Bond_Stereo_Count	0
155903675	Total_Formal_Charge	0
60712	TPSA	114
15715913	Rotatable_Bond_Count	3
1941	Non-hydrogen_Atom_Count	26
263608	Hydrogen_Bond_Donor_Count	1
104775	Undefined_Bond_Stereo_Count	0
73158666	Structure_Complexity	89.9
125017	Hydrogen_Bond_Donor_Count	2
611967	Isotope_Atom_Count	0
12830097	Non-hydrogen_Atom_Count	17
16078973	Isotope_Atom_Count	0
90735699	Undefined_Atom_Stereo_Count	0
136500	Mono_Isotopic_Weight	99.01427034
56835143	Undefined_Atom_Stereo_Count	1
123539309	Hydrogen_Bond_Donor_Count	0
68791	Tautomer_Count	5
13387	Covalent_Unit_Count	1
101010	Exact_Mass	160.09218630
7543	Exact_Mass	266.0377538
443777	Mono_Isotopic_Weight	192.078644241
10058531	Rotatable_Bond_Count	4
27284	Structure_Complexity	0
72392	Isotope_Atom_Count	0
23385063	TPSA	0
129860157	Exact_Mass	95.073499291
55479	Non-hydrogen_Atom_Count	15
3047046	Mono_Isotopic_Weight	1438.56054879
2698	Isotope_Atom_Count	0
141315890	Undefined_Bond_Stereo_Count	0
35687	Undefined_Bond_Stereo_Count	2
10445549	Isotope_Atom_Count	0
23713799	Total_Formal_Charge	0
10257882	Molecular_Weight	592.8
137321858	Defined_Bond_Stereo_Count	0
124072	Defined_Bond_Stereo_Count	0
80274	Isotope_Atom_Count	0
12430063	Rotatable_Bond_Count	0
5956	Structure_Complexity	1920
252163	XLogP3	0.8
12494777	Undefined_Bond_Stereo_Count	0
78452	Structure_Complexity	141
17461	Exact_Mass	904.04446352
7571	Rotatable_Bond_Count	4
1308	Undefined_Bond_Stereo_Count	0
2775941	Mono_Isotopic_Weight	363.373924508
17860	Mono_Isotopic_Weight	177.126597491
19118	Exact_Mass	501.98813164
93504	Total_Formal_Charge	0
229932	Rotatable_Bond_Count	1
67324	Rotatable_Bond_Count	2
193581	Defined_Bond_Stereo_Count	0
54870	Undefined_Atom_Stereo_Count	1
91768	Hydrogen_Bond_Acceptor_Count	8
18442682	Molecular_Weight	113.16
373137	Defined_Atom_Stereo_Count	0
17769	Tautomer_Count	1
33929	Covalent_Unit_Count	1
7530950	Covalent_Unit_Count	1
46856376	Non-hydrogen_Atom_Count	8
53731118	Rotatable_Bond_Count	1
65345	Defined_Atom_Stereo_Count	9
92131820	Undefined_Bond_Stereo_Count	0
11788284	Hydrogen_Bond_Acceptor_Count	1
667550	Undefined_Atom_Stereo_Count	0
66320	Isotope_Atom_Count	0
123467456	Mono_Isotopic_Weight	116.083729621
70688017	Isotope_Atom_Count	0
189563	Structure_Complexity	483
449087	Rotatable_Bond_Count	4
3924	Mono_Isotopic_Weight	235.181038361
58247682	Covalent_Unit_Count	1
387447	Tautomer_Count	4
91536	Undefined_Atom_Stereo_Count	0
98047	Hydrogen_Bond_Donor_Count	1
13418386	Molecular_Weight	112.17
15055958	Hydrogen_Bond_Acceptor_Count	2
7292	Exact_Mass	87.068413911
10155136	Undefined_Atom_Stereo_Count	0
6918840	Rotatable_Bond_Count	13
273032	Hydrogen_Bond_Acceptor_Count	4
88482362	Molecular_Weight	108.09
5459361	Hydrogen_Bond_Acceptor_Count	11
54581774	Rotatable_Bond_Count	5
23724796	Covalent_Unit_Count	1
60196415	Hydrogen_Bond_Acceptor_Count	4
55220664	Defined_Atom_Stereo_Count	0
20583864	Exact_Mass	114.104465066
20681301	Non-hydrogen_Atom_Count	8
94233	Tautomer_Count	41
8110	Defined_Bond_Stereo_Count	0
163000376	Total_Formal_Charge	0
5283454	Molecular_Weight	325.5
625230	Undefined_Bond_Stereo_Count	0
2218	Undefined_Atom_Stereo_Count	0
69389	Hydrogen_Bond_Acceptor_Count	1
182362	Molecular_Weight	254.24
10217	Exact_Mass	337.13140809
12425308	Exact_Mass	116.047344113
40428945	Exact_Mass	123.019452343
54757520	Isotope_Atom_Count	0
71683048	Undefined_Bond_Stereo_Count	0
5460183	Mono_Isotopic_Weight	1328.564325
17497	Covalent_Unit_Count	1
753050	Defined_Bond_Stereo_Count	0
94570	Non-hydrogen_Atom_Count	12
11412863	Rotatable_Bond_Count	1
234117	Structure_Complexity	352
88578918	Defined_Atom_Stereo_Count	0
439195	Structure_Complexity	117
443604	Non-hydrogen_Atom_Count	34
66425	Structure_Complexity	408
440927	Tautomer_Count	36
22356182	Defined_Bond_Stereo_Count	0
23687325	Defined_Atom_Stereo_Count	4
3973230	Exact_Mass	102.055503498
53507	Non-hydrogen_Atom_Count	24
23642	Mono_Isotopic_Weight	140.02958605
219077	Hydrogen_Bond_Donor_Count	0
5284585	Rotatable_Bond_Count	4
82616	Non-hydrogen_Atom_Count	10
21414	Hydrogen_Bond_Acceptor_Count	1
57066209	Non-hydrogen_Atom_Count	8
90658992	Rotatable_Bond_Count	6
7549	XLogP3-AA	0.3
70425	Exact_Mass	382.13339621
70694228	Rotatable_Bond_Count	9
15628	Defined_Bond_Stereo_Count	0
99868	Covalent_Unit_Count	1
61591	Isotope_Atom_Count	0
71117	Rotatable_Bond_Count	5
13789889	Mono_Isotopic_Weight	97.052763847
136489	Non-hydrogen_Atom_Count	7
16278	Defined_Atom_Stereo_Count	0
9942657	Undefined_Bond_Stereo_Count	0
12626561	Total_Formal_Charge	0
135499879	Mono_Isotopic_Weight	405.14707541
20055352	Rotatable_Bond_Count	1
72941779	Isotope_Atom_Count	0
61799	Structure_Complexity	147
5491295	Non-hydrogen_Atom_Count	32
11974	Rotatable_Bond_Count	8
61285	Hydrogen_Bond_Donor_Count	1
108037	Isotope_Atom_Count	0
3325225	Hydrogen_Bond_Acceptor_Count	8
97414	Molecular_Weight	227.29
12467	Molecular_Weight	393.70
277694	Exact_Mass	500.016289
54572627	Rotatable_Bond_Count	2
6918013	Molecular_Weight	739.0
13639781	Hydrogen_Bond_Donor_Count	0
23633604	Defined_Bond_Stereo_Count	0
40855	Covalent_Unit_Count	1
359784	Undefined_Bond_Stereo_Count	0
69507	Rotatable_Bond_Count	7
151746651	Undefined_Atom_Stereo_Count	0
7618	Covalent_Unit_Count	1
6418	Tautomer_Count	1
5329103	XLogP3-AA	3.2
6437379	Rotatable_Bond_Count	6
81415113	Undefined_Bond_Stereo_Count	0
134008	Undefined_Atom_Stereo_Count	0
97842	XLogP3-AA	2.2
3074827	Undefined_Atom_Stereo_Count	0
10949	Undefined_Atom_Stereo_Count	0
445408	Hydrogen_Bond_Acceptor_Count	6
65963	Total_Formal_Charge	0
23680156	Total_Formal_Charge	0
2766847	Covalent_Unit_Count	1
1201445	Non-hydrogen_Atom_Count	8
10240766	Undefined_Atom_Stereo_Count	0
65919	Non-hydrogen_Atom_Count	23
10028830	Exact_Mass	497.19844227
54206132	Undefined_Atom_Stereo_Count	0
51432351	Undefined_Atom_Stereo_Count	0
71309128	Non-hydrogen_Atom_Count	12
627812	Undefined_Atom_Stereo_Count	1
681274	Undefined_Atom_Stereo_Count	0
121599	Defined_Atom_Stereo_Count	0
9892815	Mono_Isotopic_Weight	518.13345680
856	Molecular_Weight	426.7
14283	Hydrogen_Bond_Acceptor_Count	1
17310	Defined_Bond_Stereo_Count	0
52988031	Defined_Atom_Stereo_Count	0
89508157	Covalent_Unit_Count	1
73664614	Rotatable_Bond_Count	0
5284556	Isotope_Atom_Count	0
53787407	Structure_Complexity	65.1
6437356	Isotope_Atom_Count	0
22220113	TPSA	59.2
13690	Undefined_Atom_Stereo_Count	0
63088	Exact_Mass	325.880439
11641	Hydrogen_Bond_Acceptor_Count	0
59372	Molecular_Weight	376.4
26715	Hydrogen_Bond_Acceptor_Count	3
76771	Mono_Isotopic_Weight	217.97208420
78959	Structure_Complexity	75.1
53326857	XLogP3-AA	2.3
87470	XLogP3	2.5
32804	Covalent_Unit_Count	1
94906	Exact_Mass	159.068413911
124584674	Covalent_Unit_Count	1
62477	Exact_Mass	130.099379685
25674	Hydrogen_Bond_Acceptor_Count	4
6433718	Molecular_Weight	829.6
24944555	Hydrogen_Bond_Donor_Count	0
81530	Defined_Atom_Stereo_Count	0
9953272	Structure_Complexity	546
8266	Undefined_Atom_Stereo_Count	4
136838	XLogP3-AA	3
23674098	Non-hydrogen_Atom_Count	28
22628430	Molecular_Weight	97.12
448875	Defined_Bond_Stereo_Count	0
76958691	Mono_Isotopic_Weight	276.11100700
17818	TPSA	46.2
6538897	Molecular_Weight	328.16
2914	Total_Formal_Charge	0
13854	Non-hydrogen_Atom_Count	7
25217563	TPSA	70.7
24944555	Defined_Bond_Stereo_Count	0
16097729	Non-hydrogen_Atom_Count	38
703036	Molecular_Weight	250.05
57394020	Undefined_Bond_Stereo_Count	0
49862460	Covalent_Unit_Count	1
98651	XLogP3-AA	3.5
37392	Undefined_Atom_Stereo_Count	1
69242	Hydrogen_Bond_Acceptor_Count	0
4669250	Undefined_Bond_Stereo_Count	0
159563	Total_Formal_Charge	0
14683451	Mono_Isotopic_Weight	100.063662883
56841939	Total_Formal_Charge	0
9743	Defined_Atom_Stereo_Count	0
102120416	Structure_Complexity	966
70383887	Covalent_Unit_Count	1
961	Covalent_Unit_Count	1
93079	Isotope_Atom_Count	0
14392758	Isotope_Atom_Count	0
54095609	XLogP3-AA	0.9
185682	Molecular_Weight	83.09
104553443	Defined_Atom_Stereo_Count	0
363	Non-hydrogen_Atom_Count	4
1954	Covalent_Unit_Count	1
54445182	Defined_Bond_Stereo_Count	0
9049	Structure_Complexity	355
8437	Covalent_Unit_Count	1
34766	Structure_Complexity	199
3077	Structure_Complexity	103
14440271	Structure_Complexity	46.8
19709	Defined_Bond_Stereo_Count	0
11378474	Undefined_Atom_Stereo_Count	0
46936966	Undefined_Atom_Stereo_Count	0
54686261	Molecular_Weight	386.4
328	Rotatable_Bond_Count	2
22166430	Mono_Isotopic_Weight	101.084063974
15789248	Total_Formal_Charge	0
58752	Mono_Isotopic_Weight	496.13000
54285331	Total_Formal_Charge	0
11633167	Rotatable_Bond_Count	7
24901285	Exact_Mass	545.1306684
8543	Non-hydrogen_Atom_Count	19
11158353	Covalent_Unit_Count	1
12508224	XLogP3-AA	2
139062655	Hydrogen_Bond_Donor_Count	5
123600	Covalent_Unit_Count	1
185498	Structure_Complexity	0
54175107	Exact_Mass	99.104799419
13194811	Non-hydrogen_Atom_Count	25
91468768	Molecular_Weight	108.18
5288173	Structure_Complexity	598
11407637	Hydrogen_Bond_Donor_Count	1
10560335	Structure_Complexity	152
26068	Molecular_Weight	156.26
20449316	Mono_Isotopic_Weight	151.08445790
101924284	Isotope_Atom_Count	0
443878	Mono_Isotopic_Weight	475.25700252
119584	Non-hydrogen_Atom_Count	29
5606	Undefined_Bond_Stereo_Count	0
87870846	Molecular_Weight	113.11
5311201	Molecular_Weight	398.5
24284832	Defined_Bond_Stereo_Count	0
406167	Undefined_Atom_Stereo_Count	0
6433095	Non-hydrogen_Atom_Count	41
91802613	Covalent_Unit_Count	1
3816043	Total_Formal_Charge	0
78106	Tautomer_Count	1
32329	Molecular_Weight	273.37
494023	Hydrogen_Bond_Donor_Count	8
135565589	Hydrogen_Bond_Acceptor_Count	13
71333816	Isotope_Atom_Count	0
119081	Covalent_Unit_Count	1
146474222	Exact_Mass	114.068079557
706285	TPSA	49.3
135779804	Mono_Isotopic_Weight	249.0087234
22719613	XLogP3-AA	0.9
90397060	Rotatable_Bond_Count	15
24848321	Molecular_Weight	289.4
91807240	Undefined_Atom_Stereo_Count	2
1857	TPSA	103
9909392	Hydrogen_Bond_Donor_Count	2
68137	Exact_Mass	180.04225873
9853710	Tautomer_Count	24
5463858	Defined_Bond_Stereo_Count	0
517637	Defined_Bond_Stereo_Count	0
7163	Covalent_Unit_Count	1
13042689	Isotope_Atom_Count	0
72444506	Undefined_Bond_Stereo_Count	0
5045	Non-hydrogen_Atom_Count	28
24186254	Undefined_Atom_Stereo_Count	0
23265	XLogP3	3.7
182176	Tautomer_Count	3
124149361	Structure_Complexity	40.7
3213	Structure_Complexity	342
16170	Covalent_Unit_Count	1
88808	Non-hydrogen_Atom_Count	21
18936580	Undefined_Atom_Stereo_Count	0
34041	Isotope_Atom_Count	0
57425261	Hydrogen_Bond_Donor_Count	1
57391720	Structure_Complexity	1150
40473182	Defined_Bond_Stereo_Count	0
10616	Undefined_Bond_Stereo_Count	0
7421	Non-hydrogen_Atom_Count	10
67678949	TPSA	18.5
8989	Undefined_Bond_Stereo_Count	0
57438703	Mono_Isotopic_Weight	115.99703987
66573	XLogP3-AA	3.5
11073376	Structure_Complexity	160
11344362	Isotope_Atom_Count	1
7348	Total_Formal_Charge	0
11545958	XLogP3-AA	3.1
11406590	Exact_Mass	388.13469677
101033892	Undefined_Bond_Stereo_Count	0
2210	Hydrogen_Bond_Acceptor_Count	4
103648	Undefined_Bond_Stereo_Count	0
16437056	Defined_Bond_Stereo_Count	0
4984721	Defined_Atom_Stereo_Count	0
2243	Defined_Bond_Stereo_Count	0
129786694	Exact_Mass	99.032028402
10173277	Exact_Mass	418.21172409
146468	Defined_Bond_Stereo_Count	0
42552713	Defined_Atom_Stereo_Count	10
33013	Covalent_Unit_Count	2
694743	Rotatable_Bond_Count	5
54307258	Mono_Isotopic_Weight	102.079312947
22601	Hydrogen_Bond_Donor_Count	1
123661139	Isotope_Atom_Count	0
18599	Isotope_Atom_Count	0
14711688	Non-hydrogen_Atom_Count	8
57955	Non-hydrogen_Atom_Count	25
58095446	Covalent_Unit_Count	1
37907	Total_Formal_Charge	0
136121	Defined_Bond_Stereo_Count	0
9301	Mono_Isotopic_Weight	235.02079
98675	Mono_Isotopic_Weight	254.260965704
18622366	Undefined_Bond_Stereo_Count	0
543038	Non-hydrogen_Atom_Count	9
108092	Defined_Bond_Stereo_Count	0
112412	TPSA	50.9
69342090	Molecular_Weight	108.10
140286824	Defined_Bond_Stereo_Count	0
76957744	Defined_Bond_Stereo_Count	0
731747	Hydrogen_Bond_Acceptor_Count	5
1478923	Exact_Mass	265.0076608
439791	Hydrogen_Bond_Acceptor_Count	2
638116	Hydrogen_Bond_Acceptor_Count	1
4306558	Rotatable_Bond_Count	9
6451	TPSA	92.2
46224572	TPSA	81.6
139194774	Non-hydrogen_Atom_Count	8
193972	Defined_Bond_Stereo_Count	0
5311221	Structure_Complexity	526
123479258	Defined_Bond_Stereo_Count	0
406167	Defined_Atom_Stereo_Count	0
53903478	Molecular_Weight	197.26
132598553	Covalent_Unit_Count	1
44531955	Covalent_Unit_Count	1
12262506	Rotatable_Bond_Count	4
641115	Non-hydrogen_Atom_Count	19
18392	Mono_Isotopic_Weight	130.062994177
72114	TPSA	40.6
222536	Structure_Complexity	125
25271884	Undefined_Bond_Stereo_Count	0
12315	Exact_Mass	73.089149355
285	Hydrogen_Bond_Donor_Count	1
5289547	Defined_Bond_Stereo_Count	1
58935140	Defined_Atom_Stereo_Count	0
11074	Undefined_Bond_Stereo_Count	0
707094	Covalent_Unit_Count	1
13847709	Defined_Atom_Stereo_Count	1
87394	Hydrogen_Bond_Donor_Count	0
193846	Defined_Bond_Stereo_Count	0
448222	Molecular_Weight	308.29
702695	Defined_Bond_Stereo_Count	1
8351	Covalent_Unit_Count	1
933147	Structure_Complexity	360
6442778	TPSA	57.5
71793	Undefined_Bond_Stereo_Count	0
1864	Non-hydrogen_Atom_Count	18
317505	Hydrogen_Bond_Acceptor_Count	2
9928397	Hydrogen_Bond_Donor_Count	1
1450	XLogP3	2.8
14957	Exact_Mass	548.27338086
12878836	Defined_Bond_Stereo_Count	0
85859899	XLogP3-AA	0
65728	XLogP3-AA	8.3
11095	Tautomer_Count	210
82507	Defined_Atom_Stereo_Count	0
196	Hydrogen_Bond_Donor_Count	2
18542107	Undefined_Atom_Stereo_Count	0
4501	Undefined_Atom_Stereo_Count	0
26462	Isotope_Atom_Count	0
9895035	Defined_Bond_Stereo_Count	0
9931954	Rotatable_Bond_Count	3
6077	Structure_Complexity	414
11043	Defined_Atom_Stereo_Count	0
11254352	TPSA	138
687818	Rotatable_Bond_Count	5
72521	Isotope_Atom_Count	0
446201	Molecular_Weight	677.8
9049	Molecular_Weight	251.71
57691826	TPSA	110
53664307	Non-hydrogen_Atom_Count	7
2216	Hydrogen_Bond_Acceptor_Count	2
17856120	Isotope_Atom_Count	0
124904106	Exact_Mass	342.11621151
54377545	Molecular_Weight	99.13
48448	Total_Formal_Charge	0
4206	Exact_Mass	368.25627424
11446375	Total_Formal_Charge	0
30590	XLogP3-AA	4.8
66615627	Molecular_Weight	537.5
34852	Tautomer_Count	2
19028568	Hydrogen_Bond_Donor_Count	1
29179	Structure_Complexity	50.3
166918	Hydrogen_Bond_Donor_Count	6
28780	Tautomer_Count	6
23385063	Total_Formal_Charge	0
16387	Total_Formal_Charge	0
55289472	Defined_Bond_Stereo_Count	0
138349	Structure_Complexity	127
12676503	Hydrogen_Bond_Donor_Count	0
80308	Hydrogen_Bond_Acceptor_Count	2
33360	XLogP3-AA	2.7
65752	Rotatable_Bond_Count	0
12431582	Undefined_Bond_Stereo_Count	0
80654	Undefined_Bond_Stereo_Count	0
5284600	Total_Formal_Charge	0
20767630	Total_Formal_Charge	0
2020	Defined_Bond_Stereo_Count	0
23677960	Covalent_Unit_Count	4
155143	Defined_Atom_Stereo_Count	6
15673	Isotope_Atom_Count	0
387316	TPSA	132
12452075	Mono_Isotopic_Weight	94.041864811
72506564	Exact_Mass	93.021463719
82511	Rotatable_Bond_Count	9
6472	Non-hydrogen_Atom_Count	21
9865442	Exact_Mass	394.1547017
164116	Undefined_Bond_Stereo_Count	0
86593	Defined_Bond_Stereo_Count	0
4283	Defined_Atom_Stereo_Count	0
26462	Defined_Bond_Stereo_Count	0
9099	Non-hydrogen_Atom_Count	11
1202	Covalent_Unit_Count	1
6154	Non-hydrogen_Atom_Count	27
13810	Non-hydrogen_Atom_Count	38
65764	Structure_Complexity	511
16473	Isotope_Atom_Count	0
5578	TPSA	106
109198	Total_Formal_Charge	0
59908032	Undefined_Bond_Stereo_Count	0
101089158	Hydrogen_Bond_Donor_Count	1
155144825	Total_Formal_Charge	0
107273	Tautomer_Count	1
9776841	Molecular_Weight	953.1
5355457	Undefined_Atom_Stereo_Count	0
45266912	Non-hydrogen_Atom_Count	39
101239377	Undefined_Bond_Stereo_Count	0
12275548	Non-hydrogen_Atom_Count	27
15673	Hydrogen_Bond_Donor_Count	0
40539	Hydrogen_Bond_Donor_Count	3
5353923	Covalent_Unit_Count	1
569599	Mono_Isotopic_Weight	284.06194880
22082539	Non-hydrogen_Atom_Count	8
5327686	Hydrogen_Bond_Donor_Count	1
3035241	Mono_Isotopic_Weight	323.1400546
182176	Mono_Isotopic_Weight	239.15214353
75987474	Rotatable_Bond_Count	3
556035	Defined_Atom_Stereo_Count	0
58471	Hydrogen_Bond_Acceptor_Count	4
1120	Defined_Bond_Stereo_Count	0
61743	Molecular_Weight	170.25
74626	Molecular_Weight	122.12
10953	Mono_Isotopic_Weight	100.052429494
12363650	Molecular_Weight	115.09
18616638	Structure_Complexity	91.5
2733487	Hydrogen_Bond_Donor_Count	8
59646	Defined_Atom_Stereo_Count	0
102004585	Defined_Atom_Stereo_Count	3
6918474	Mono_Isotopic_Weight	215.0349209
795	Exact_Mass	68.037448136
3000667	Mono_Isotopic_Weight	319.14197277
21187035	Undefined_Atom_Stereo_Count	0
69986	Defined_Bond_Stereo_Count	0
8925	Hydrogen_Bond_Donor_Count	0
6918204	Molecular_Weight	1058.1
131632347	Covalent_Unit_Count	1
71583604	Total_Formal_Charge	0
11440685	Mono_Isotopic_Weight	390.16785316
21720414	Defined_Bond_Stereo_Count	0
359784	Undefined_Atom_Stereo_Count	0
83553	Isotope_Atom_Count	0
66016	Total_Formal_Charge	0
24455	Undefined_Atom_Stereo_Count	0
99010	XLogP3-AA	2.5
69117541	Covalent_Unit_Count	1
13187	Molecular_Weight	142.24
108037	Rotatable_Bond_Count	5
89767	Structure_Complexity	754
3015569	Undefined_Atom_Stereo_Count	0
42761	Isotope_Atom_Count	0
8378	Hydrogen_Bond_Acceptor_Count	19
69170	Non-hydrogen_Atom_Count	16
5284649	Covalent_Unit_Count	1
4041	Defined_Atom_Stereo_Count	0
26295	Total_Formal_Charge	0
5359541	Covalent_Unit_Count	1
4424	Total_Formal_Charge	0
439811	Covalent_Unit_Count	1
12933341	Covalent_Unit_Count	1
52949465	Undefined_Atom_Stereo_Count	0
20841747	Defined_Atom_Stereo_Count	0
78012803	Non-hydrogen_Atom_Count	24
47898	Covalent_Unit_Count	1
439051	Total_Formal_Charge	0
84336	Covalent_Unit_Count	1
44401302	Defined_Bond_Stereo_Count	0
5328791	Rotatable_Bond_Count	2
79804	Mono_Isotopic_Weight	153.9159246
6433091	Isotope_Atom_Count	0
5311055	Tautomer_Count	1
550525	Molecular_Weight	338.60
129821916	Rotatable_Bond_Count	4
3232583	Hydrogen_Bond_Acceptor_Count	6
41466	Mono_Isotopic_Weight	130.074227566
104766	Covalent_Unit_Count	1
17531	Tautomer_Count	1
32443	Total_Formal_Charge	0
33309	XLogP3	2.9
544137	Non-hydrogen_Atom_Count	8
7080	Undefined_Bond_Stereo_Count	0
56927690	Defined_Atom_Stereo_Count	0
207363	Tautomer_Count	1
24763119	Non-hydrogen_Atom_Count	25
25014762	Rotatable_Bond_Count	6
23687810	Defined_Bond_Stereo_Count	0
72026	Molecular_Weight	326.4
5746	Rotatable_Bond_Count	4
9911138	Hydrogen_Bond_Donor_Count	2
81729	Mono_Isotopic_Weight	204.183778013
19373541	Molecular_Weight	116.07
57499	Isotope_Atom_Count	0
859	TPSA	221
135399833	Covalent_Unit_Count	4
7491	Structure_Complexity	157
6204	Mono_Isotopic_Weight	194.154489261
24808640	Total_Formal_Charge	0
67406	Total_Formal_Charge	0
8118	Hydrogen_Bond_Donor_Count	0
54531644	Hydrogen_Bond_Acceptor_Count	2
2817255	Structure_Complexity	458
61124202	Structure_Complexity	134
10920486	Exact_Mass	116.083729621
16659836	Isotope_Atom_Count	0
126969105	TPSA	80.7
21159502	Undefined_Bond_Stereo_Count	0
8425	Hydrogen_Bond_Acceptor_Count	1
20821294	Structure_Complexity	122
5284462	TPSA	44.8
27423	Undefined_Atom_Stereo_Count	0
686073	XLogP3-AA	2.9
7303	Undefined_Bond_Stereo_Count	0
519666	Structure_Complexity	135
13916	Defined_Bond_Stereo_Count	0
141761	Structure_Complexity	68.4
12219138	Exact_Mass	244.06953611
6440900	Defined_Atom_Stereo_Count	0
11372270	Rotatable_Bond_Count	5
13761354	Molecular_Weight	112.17
6335487	Hydrogen_Bond_Acceptor_Count	7
6539	Exact_Mass	250.16978172
23663973	Defined_Bond_Stereo_Count	0
801132	Non-hydrogen_Atom_Count	25
9942657	Defined_Atom_Stereo_Count	0
155294764	Covalent_Unit_Count	1
138394128	Rotatable_Bond_Count	6
5320867	Exact_Mass	324.183778013
235713	Hydrogen_Bond_Donor_Count	2
537505	Rotatable_Bond_Count	1
99681	Tautomer_Count	5
5280880	Covalent_Unit_Count	1
1629	Undefined_Bond_Stereo_Count	0
443118	Covalent_Unit_Count	1
6606	Non-hydrogen_Atom_Count	31
135398670	Undefined_Atom_Stereo_Count	0
90475112	Exact_Mass	406.1811912
92093	Undefined_Atom_Stereo_Count	0
22646212	Defined_Bond_Stereo_Count	0
84063982	TPSA	33
137783	XLogP3-AA	0.5
25245167	Exact_Mass	122.98472060
129737769	Total_Formal_Charge	0
77568	Covalent_Unit_Count	1
2194	Tautomer_Count	1
10076625	Rotatable_Bond_Count	10
72959169	Rotatable_Bond_Count	9
13290	Rotatable_Bond_Count	8
46863	Mono_Isotopic_Weight	234.961448
25552	Undefined_Bond_Stereo_Count	0
36005	Covalent_Unit_Count	2
444837	Undefined_Bond_Stereo_Count	0
4433698	TPSA	214
6539039	Total_Formal_Charge	0
22414183	Total_Formal_Charge	0
6328534	Defined_Atom_Stereo_Count	0
303830	Total_Formal_Charge	0
121639	Rotatable_Bond_Count	11
3034319	Defined_Bond_Stereo_Count	0
8635	Exact_Mass	151.063328530
439369	TPSA	340
136703	Defined_Atom_Stereo_Count	0
49864506	Undefined_Bond_Stereo_Count	0
41088	Exact_Mass	162.125594432
6919173	Total_Formal_Charge	0
85663349	Hydrogen_Bond_Acceptor_Count	1
138492	Hydrogen_Bond_Acceptor_Count	4
521714	Molecular_Weight	112.17
12374	Undefined_Atom_Stereo_Count	0
50515	Undefined_Atom_Stereo_Count	0
25102936	Molecular_Weight	426.5
170759	Defined_Bond_Stereo_Count	0
72200670	Exact_Mass	348.13481644
65287	Structure_Complexity	215
8672	Total_Formal_Charge	0
10704	Total_Formal_Charge	0
14121451	XLogP3-AA	0
11966162	Hydrogen_Bond_Donor_Count	9
15558640	Structure_Complexity	574
23725019	Total_Formal_Charge	0
197839	Covalent_Unit_Count	1
74067	Rotatable_Bond_Count	1
73425380	Exact_Mass	684.01028135
81618	Hydrogen_Bond_Acceptor_Count	3
75598	Isotope_Atom_Count	0
12228201	Non-hydrogen_Atom_Count	6
20243371	Mono_Isotopic_Weight	160.94971364
25058126	Hydrogen_Bond_Donor_Count	5
72199429	Mono_Isotopic_Weight	605.27395051
6917728	Hydrogen_Bond_Acceptor_Count	4
38879	Isotope_Atom_Count	0
4042	Undefined_Bond_Stereo_Count	0
4298216	TPSA	0
725300	Isotope_Atom_Count	0
139336513	Non-hydrogen_Atom_Count	8
11510	Hydrogen_Bond_Acceptor_Count	3
704528	Mono_Isotopic_Weight	280.08816355
157049	XLogP3-AA	9.2
73920	Structure_Complexity	754
162904206	Total_Formal_Charge	0
536113	Undefined_Bond_Stereo_Count	0
13696436	Covalent_Unit_Count	1
263608	Molecular_Weight	161.20
135406868	Exact_Mass	130.01268994
9822866	Exact_Mass	410.1761058
18369938	Total_Formal_Charge	0
9818306	XLogP3	2.8
71348	Mono_Isotopic_Weight	1155.48815915
5877	Defined_Bond_Stereo_Count	0
31842	Undefined_Bond_Stereo_Count	0
13134933	TPSA	222
6166	XLogP3	2.9
9929138	Covalent_Unit_Count	2
12882493	Exact_Mass	112.088815002
435439	Non-hydrogen_Atom_Count	51
140956	Rotatable_Bond_Count	2
95354	Defined_Bond_Stereo_Count	0
5287468	Exact_Mass	526.18860586
34837	Molecular_Weight	324.4
96299	Rotatable_Bond_Count	1
341876	TPSA	41.6
568445	Defined_Atom_Stereo_Count	0
61249	Defined_Atom_Stereo_Count	0
44455117	Molecular_Weight	377.4
101033892	Undefined_Atom_Stereo_Count	0
19596	Hydrogen_Bond_Acceptor_Count	7
135441757	Defined_Bond_Stereo_Count	0
255	Hydrogen_Bond_Acceptor_Count	8
1730	Covalent_Unit_Count	1
65060	Total_Formal_Charge	0
53249784	Total_Formal_Charge	0
2825062	Mono_Isotopic_Weight	638.09720
9933197	Defined_Atom_Stereo_Count	0
176158	Molecular_Weight	371.2
133124921	Exact_Mass	925.50349992
60155273	Molecular_Weight	474.6
4921934	Isotope_Atom_Count	0
12447	TPSA	75.9
57280823	Undefined_Bond_Stereo_Count	0
53563	Non-hydrogen_Atom_Count	19
57461868	Defined_Bond_Stereo_Count	0
73425380	Total_Formal_Charge	0
11284169	Rotatable_Bond_Count	3
46782912	XLogP3	0.9
24197462	Undefined_Bond_Stereo_Count	0
49798415	Isotope_Atom_Count	0
5460822	Undefined_Bond_Stereo_Count	0
67258795	Hydrogen_Bond_Donor_Count	0
101080369	Non-hydrogen_Atom_Count	3
135449281	Molecular_Weight	268.23
11727234	Mono_Isotopic_Weight	330.03756727
73952881	Structure_Complexity	516
22836366	Total_Formal_Charge	0
45116667	TPSA	31
161930	Total_Formal_Charge	0
188802	Non-hydrogen_Atom_Count	22
129689816	Defined_Bond_Stereo_Count	0
110373	Total_Formal_Charge	0
43795	Exact_Mass	355.12805404
657201	Molecular_Weight	362.3
5656	Molecular_Weight	277.4
48104	Total_Formal_Charge	0
59059061	TPSA	38.7
968688	Isotope_Atom_Count	0
113415	Defined_Atom_Stereo_Count	0
3084338	TPSA	35.2
111206	Undefined_Bond_Stereo_Count	1
52942212	Total_Formal_Charge	0
53825857	XLogP3-AA	1
13037720	Hydrogen_Bond_Donor_Count	3
10703	Total_Formal_Charge	0
159289	Mono_Isotopic_Weight	333.08956053
21907926	XLogP3-AA	0.8
12459578	Isotope_Atom_Count	0
40320	Defined_Bond_Stereo_Count	0
11957756	Defined_Bond_Stereo_Count	0
133082588	Covalent_Unit_Count	2
123336	Covalent_Unit_Count	1
1450	Covalent_Unit_Count	1
66245	Structure_Complexity	330
73348210	Defined_Bond_Stereo_Count	0
158144361	Total_Formal_Charge	0
105104	Undefined_Bond_Stereo_Count	0
11197252	Isotope_Atom_Count	0
3191	Mono_Isotopic_Weight	469.298079487
6537099	TPSA	26.3
131110184	Defined_Atom_Stereo_Count	0
16760153	Hydrogen_Bond_Donor_Count	0
71697	XLogP3-AA	4
76403	Hydrogen_Bond_Acceptor_Count	1
105426931	Covalent_Unit_Count	1
90472770	Total_Formal_Charge	0
951315	Isotope_Atom_Count	0
78297	Defined_Atom_Stereo_Count	0
158343497	Defined_Bond_Stereo_Count	0
147285	Defined_Bond_Stereo_Count	0
11754394	Exact_Mass	468.18312656
135442966	Structure_Complexity	1840
49784002	Total_Formal_Charge	0
9031	Hydrogen_Bond_Acceptor_Count	1
136705	Non-hydrogen_Atom_Count	6
156580481	Hydrogen_Bond_Donor_Count	2
12517392	Covalent_Unit_Count	1
19778484	Structure_Complexity	142
13416	Defined_Bond_Stereo_Count	0
71681473	Isotope_Atom_Count	0
15588	Mono_Isotopic_Weight	287.05422040
23667638	Molecular_Weight	255.97
87940821	Non-hydrogen_Atom_Count	8
5360487	Isotope_Atom_Count	0
445713	Undefined_Bond_Stereo_Count	0
94313	Hydrogen_Bond_Acceptor_Count	2
50932059	Hydrogen_Bond_Acceptor_Count	9
135020	Rotatable_Bond_Count	2
164330	Defined_Bond_Stereo_Count	0
18467	Total_Formal_Charge	0
23190	Molecular_Weight	266.25
135019886	Isotope_Atom_Count	0
512984	XLogP3-AA	2.9
4884	XLogP3-AA	1
5249080	Hydrogen_Bond_Donor_Count	0
25167777	Defined_Atom_Stereo_Count	0
71890	XLogP3-AA	1.6
91759	Isotope_Atom_Count	0
214339	Mono_Isotopic_Weight	352.9614950
96029	TPSA	71.6
25015412	XLogP3-AA	2.4
124222418	Hydrogen_Bond_Acceptor_Count	11
65057	Defined_Bond_Stereo_Count	0
86052146	Rotatable_Bond_Count	3
590556	Exact_Mass	148.03851076
8747	Molecular_Weight	321.70
74760	Total_Formal_Charge	0
74152	Defined_Bond_Stereo_Count	0
11291	Non-hydrogen_Atom_Count	20
165746	Undefined_Atom_Stereo_Count	0
6915732	Hydrogen_Bond_Donor_Count	5
146993530	Undefined_Atom_Stereo_Count	3
84878	Total_Formal_Charge	1
21364	Hydrogen_Bond_Donor_Count	0
80428	Isotope_Atom_Count	0
19595920	Defined_Bond_Stereo_Count	0
69336	Hydrogen_Bond_Acceptor_Count	3
751826	XLogP3	0.5
979	Undefined_Atom_Stereo_Count	0
10103118	Tautomer_Count	1
261501	Mono_Isotopic_Weight	261.06709375
46437	TPSA	29.1
100930731	Hydrogen_Bond_Donor_Count	0
11253490	Total_Formal_Charge	0
13738257	Structure_Complexity	141
10341154	Rotatable_Bond_Count	4
29084	Rotatable_Bond_Count	2
20495	Defined_Bond_Stereo_Count	0
44719848	Defined_Bond_Stereo_Count	0
71301276	Hydrogen_Bond_Acceptor_Count	3
135483437	Defined_Bond_Stereo_Count	0
12019	Rotatable_Bond_Count	2
95292	Rotatable_Bond_Count	1
54535780	Exact_Mass	95.073499291
51029603	Total_Formal_Charge	0
53947	Rotatable_Bond_Count	9
44368	Mono_Isotopic_Weight	266.109550447
11029782	Defined_Bond_Stereo_Count	0
76223860	Isotope_Atom_Count	0
25875	Undefined_Bond_Stereo_Count	0
70241	Structure_Complexity	316
8657	Tautomer_Count	1
3611392	Rotatable_Bond_Count	6
21044269	Total_Formal_Charge	0
153997	Isotope_Atom_Count	0
9470	Rotatable_Bond_Count	4
5783	TPSA	37.3
29656	Non-hydrogen_Atom_Count	7
131839611	Rotatable_Bond_Count	5
4110	Defined_Atom_Stereo_Count	0
9937618	Covalent_Unit_Count	3
46244454	Total_Formal_Charge	0
11319217	Structure_Complexity	1020
143716909	Exact_Mass	112.088815002
71719268	Hydrogen_Bond_Donor_Count	2
3033856	Non-hydrogen_Atom_Count	22
616631	TPSA	40
2471	Mono_Isotopic_Weight	364.10929292
73631	Mono_Isotopic_Weight	370.14163842
11768526	Defined_Atom_Stereo_Count	0
135409471	Exact_Mass	313.0708448
21093792	Rotatable_Bond_Count	4
23835544	Covalent_Unit_Count	1
2101	Rotatable_Bond_Count	2
97754	Hydrogen_Bond_Acceptor_Count	2
11908385	Structure_Complexity	382
55299744	Hydrogen_Bond_Acceptor_Count	2
12497562	Hydrogen_Bond_Acceptor_Count	1
431	Defined_Bond_Stereo_Count	0
1463	Undefined_Bond_Stereo_Count	0
894295	Defined_Atom_Stereo_Count	1
398596	Non-hydrogen_Atom_Count	17
12303783	TPSA	69.9
82593565	Undefined_Atom_Stereo_Count	0
95456	Hydrogen_Bond_Donor_Count	2
59694	Exact_Mass	259.0876252
659024	Undefined_Atom_Stereo_Count	1
3032792	Structure_Complexity	434
7269	Structure_Complexity	80.6
71334656	Covalent_Unit_Count	1
908	Undefined_Bond_Stereo_Count	0
132519	Exact_Mass	388.21105539
45190	Hydrogen_Bond_Acceptor_Count	4
57557625	Defined_Bond_Stereo_Count	5
85538179	Structure_Complexity	169
75588	Undefined_Bond_Stereo_Count	0
443154	TPSA	196
62582	Hydrogen_Bond_Acceptor_Count	0
198008	Undefined_Atom_Stereo_Count	0
83008	Molecular_Weight	482.6
70144	Undefined_Atom_Stereo_Count	0
5284441	TPSA	12.5
44134949	Defined_Bond_Stereo_Count	0
42553	Non-hydrogen_Atom_Count	24
89390979	Defined_Atom_Stereo_Count	0
16718576	Defined_Bond_Stereo_Count	0
6918545	Covalent_Unit_Count	5
12369	Total_Formal_Charge	0
101049151	Undefined_Bond_Stereo_Count	0
5057599	XLogP3-AA	4.5
441350	Rotatable_Bond_Count	3
131003005	Mono_Isotopic_Weight	112.088815002
439888	TPSA	40.5
20524	XLogP3	0.3
31297	Tautomer_Count	1
70065832	Covalent_Unit_Count	1
10888095	Molecular_Weight	152.19
12140079	Structure_Complexity	151
9864881	Defined_Bond_Stereo_Count	1
44345559	Covalent_Unit_Count	1
14679813	Molecular_Weight	645.8
130125724	Non-hydrogen_Atom_Count	8
736366	Molecular_Weight	202.28
6161490	Structure_Complexity	234
21390696	Mono_Isotopic_Weight	94.016712692
13930075	Molecular_Weight	113.16
4865	Covalent_Unit_Count	1
522731	Undefined_Bond_Stereo_Count	1
13486	Rotatable_Bond_Count	4
58265166	Hydrogen_Bond_Donor_Count	5
65823	TPSA	23.5
73005	Defined_Atom_Stereo_Count	0
787	Defined_Bond_Stereo_Count	0
95391	Defined_Bond_Stereo_Count	0
89292361	Rotatable_Bond_Count	2
14496	XLogP3-AA	0
135409548	Molecular_Weight	327.29
12731	Exact_Mass	148.023320
139001	Tautomer_Count	2
4290	Molecular_Weight	308.33
5282321	Defined_Atom_Stereo_Count	8
155907170	Undefined_Atom_Stereo_Count	0
11547499	Defined_Atom_Stereo_Count	1
24556	Molecular_Weight	104.079
6131	Hydrogen_Bond_Donor_Count	5
55007	Molecular_Weight	304.3
116701105	Molecular_Weight	104.15
12468302	TPSA	36.3
89033918	Molecular_Weight	108.10
12964	Structure_Complexity	84.2
53249491	Molecular_Weight	185.2
18684901	Hydrogen_Bond_Acceptor_Count	3
21954272	Total_Formal_Charge	0
61868	Isotope_Atom_Count	0
4712721	Structure_Complexity	206
3586	TPSA	70.1
50099	Exact_Mass	325.880439
102821	Molecular_Weight	423.7
19935266	Non-hydrogen_Atom_Count	7
60201425	Hydrogen_Bond_Donor_Count	2
43457	Rotatable_Bond_Count	4
18955656	Defined_Bond_Stereo_Count	0
70068	Isotope_Atom_Count	0
24808640	Hydrogen_Bond_Donor_Count	0
3720192	Rotatable_Bond_Count	1
65689	Hydrogen_Bond_Acceptor_Count	8
140152057	Undefined_Bond_Stereo_Count	0
22530	Undefined_Atom_Stereo_Count	0
558363	Defined_Bond_Stereo_Count	0
9843089	TPSA	86.4
87485	Undefined_Bond_Stereo_Count	0
36552	Structure_Complexity	744
550719	Hydrogen_Bond_Acceptor_Count	3
216468	XLogP3-AA	1.8
54291205	Rotatable_Bond_Count	0
6918314	Non-hydrogen_Atom_Count	33
154731207	Defined_Atom_Stereo_Count	8
23681909	Mono_Isotopic_Weight	886.0546507
53346577	Rotatable_Bond_Count	2
46490	TPSA	128
6004	Defined_Atom_Stereo_Count	0
12546246	Hydrogen_Bond_Donor_Count	0
9877343	Covalent_Unit_Count	1
141343693	Covalent_Unit_Count	1
71270	Total_Formal_Charge	0
2733928	Covalent_Unit_Count	2
17898	Mono_Isotopic_Weight	124.063662883
56848	Non-hydrogen_Atom_Count	29
5447	Hydrogen_Bond_Donor_Count	2
6914	TPSA	20.2
136420	Mono_Isotopic_Weight	312.09977361
6673	Rotatable_Bond_Count	0
12739589	TPSA	26.3
946899	Undefined_Bond_Stereo_Count	0
15475335	Covalent_Unit_Count	1
67979331	Structure_Complexity	701
6438372	Defined_Bond_Stereo_Count	2
138062	Undefined_Bond_Stereo_Count	0
2713	Hydrogen_Bond_Acceptor_Count	2
10437728	Mono_Isotopic_Weight	557.17737004
98047379	Mono_Isotopic_Weight	284.16237386
24752	Rotatable_Bond_Count	8
37425	Structure_Complexity	161
249187	Defined_Bond_Stereo_Count	0
12431566	Non-hydrogen_Atom_Count	7
136837	Undefined_Bond_Stereo_Count	0
317542	Defined_Bond_Stereo_Count	0
81450	Molecular_Weight	230.24
3231	Exact_Mass	400.18858861
57609	Tautomer_Count	16
12760727	Isotope_Atom_Count	0
69215	Isotope_Atom_Count	0
68647	Exact_Mass	329.1294900
15208558	Hydrogen_Bond_Acceptor_Count	1
6160	Tautomer_Count	2
349713	Isotope_Atom_Count	0
138264	Defined_Atom_Stereo_Count	0
32451	Defined_Atom_Stereo_Count	0
2723721	Rotatable_Bond_Count	0
130165	Hydrogen_Bond_Donor_Count	1
8246	Total_Formal_Charge	0
12734569	Isotope_Atom_Count	0
24838350	Undefined_Bond_Stereo_Count	0
15150444	Molecular_Weight	83.13
13715986	Total_Formal_Charge	0
15969	Molecular_Weight	220.05
17461	Hydrogen_Bond_Donor_Count	8
12304612	Exact_Mass	152.120115130
348256	Rotatable_Bond_Count	1
6437877	Defined_Bond_Stereo_Count	2
44224066	TPSA	180
428	Hydrogen_Bond_Acceptor_Count	2
74040195	Exact_Mass	97.052763847
303830	Hydrogen_Bond_Donor_Count	0
4472	Undefined_Bond_Stereo_Count	0
880	Mono_Isotopic_Weight	72.021129366
4659	Molecular_Weight	407.14
89129308	Rotatable_Bond_Count	1
20393266	TPSA	24.6
16351	Mono_Isotopic_Weight	343.0909965
15271	Non-hydrogen_Atom_Count	9
13659	Hydrogen_Bond_Donor_Count	0
44154280	Defined_Bond_Stereo_Count	0
22078	Defined_Atom_Stereo_Count	0
47651	Undefined_Atom_Stereo_Count	0
5311429	Tautomer_Count	2
60937	Total_Formal_Charge	0
544792	Exact_Mass	85.089149355
70977832	Undefined_Atom_Stereo_Count	4
137704528	Isotope_Atom_Count	0
25059	Hydrogen_Bond_Donor_Count	1
132451761	Non-hydrogen_Atom_Count	293
6450813	Structure_Complexity	574
66823423	Mono_Isotopic_Weight	135.00447060
123373137	Undefined_Bond_Stereo_Count	0
71834	Undefined_Bond_Stereo_Count	0
59296114	XLogP3-AA	4.4
18002315	Isotope_Atom_Count	0
17525	Rotatable_Bond_Count	8
79173	Undefined_Atom_Stereo_Count	0
16073662	Non-hydrogen_Atom_Count	42
23690453	Defined_Bond_Stereo_Count	0
702015	Exact_Mass	260.10485899
5791	Mono_Isotopic_Weight	275.1288213
5483624	Defined_Bond_Stereo_Count	0
11815824	XLogP3-AA	1.5
53317813	Rotatable_Bond_Count	6
5352133	Non-hydrogen_Atom_Count	13
118248246	Covalent_Unit_Count	1
45480603	TPSA	158
45085092	Isotope_Atom_Count	0
12607503	Defined_Bond_Stereo_Count	0
3068143	Total_Formal_Charge	0
84623	Defined_Bond_Stereo_Count	0
53315103	Non-hydrogen_Atom_Count	28
8883	Undefined_Bond_Stereo_Count	0
22385728	Covalent_Unit_Count	1
119093923	Rotatable_Bond_Count	1
54758307	Isotope_Atom_Count	0
70338843	Structure_Complexity	102
10079874	Covalent_Unit_Count	1
11865	Mono_Isotopic_Weight	113.011292958
550925	Undefined_Bond_Stereo_Count	0
15584178	Undefined_Bond_Stereo_Count	0
140123	Hydrogen_Bond_Donor_Count	0
123591	Defined_Bond_Stereo_Count	0
46225600	Hydrogen_Bond_Donor_Count	17
12456033	Structure_Complexity	175
81261	Isotope_Atom_Count	0
14079	Undefined_Bond_Stereo_Count	0
12959039	Total_Formal_Charge	0
57031835	Hydrogen_Bond_Acceptor_Count	1
7624	Structure_Complexity	322
566136	Mono_Isotopic_Weight	112.088815002
22341299	Hydrogen_Bond_Acceptor_Count	4
11374	Covalent_Unit_Count	1
70689351	Isotope_Atom_Count	0
27135	Hydrogen_Bond_Acceptor_Count	3
4175	XLogP3	5.2
119242	Hydrogen_Bond_Acceptor_Count	1
22833502	Mono_Isotopic_Weight	289.920654
223407	Non-hydrogen_Atom_Count	21
246724	Covalent_Unit_Count	1
3361	Undefined_Atom_Stereo_Count	2
161930	Isotope_Atom_Count	0
71629	Defined_Atom_Stereo_Count	0
93078	Defined_Atom_Stereo_Count	2
138195	TPSA	26.3
70401991	Covalent_Unit_Count	1
866	Hydrogen_Bond_Acceptor_Count	4
557049	Undefined_Atom_Stereo_Count	3
85489	TPSA	77.9
100427	TPSA	61.4
15090448	Mono_Isotopic_Weight	114.068079557
10113430	XLogP3-AA	4.5
124018515	Hydrogen_Bond_Donor_Count	0
54682938	Undefined_Bond_Stereo_Count	0
642	Total_Formal_Charge	0
47640	Hydrogen_Bond_Acceptor_Count	1
13424661	Hydrogen_Bond_Acceptor_Count	8
76442017	Hydrogen_Bond_Donor_Count	1
4847	Hydrogen_Bond_Donor_Count	0
22310945	Hydrogen_Bond_Acceptor_Count	3
657210	Exact_Mass	203.0713064
141836779	TPSA	20.2
11979704	Hydrogen_Bond_Donor_Count	0
601880	Non-hydrogen_Atom_Count	13
3001662	Rotatable_Bond_Count	4
57865	Total_Formal_Charge	0
18626413	Non-hydrogen_Atom_Count	8
102426204	Exact_Mass	416.32904526
76959818	Mono_Isotopic_Weight	369.254203300
2733	Isotope_Atom_Count	0
666673	Defined_Bond_Stereo_Count	0
135403805	TPSA	102
2282	Rotatable_Bond_Count	10
79323706	Hydrogen_Bond_Donor_Count	1
71449989	Defined_Bond_Stereo_Count	0
19838382	Defined_Atom_Stereo_Count	0
24648	Isotope_Atom_Count	0
5315659	Exact_Mass	316.240230259
12704941	Covalent_Unit_Count	1
4268635	Exact_Mass	152.0392780
8424	Covalent_Unit_Count	1
3082717	Tautomer_Count	1
9879368	Exact_Mass	263.167399674
101743775	Hydrogen_Bond_Acceptor_Count	7
20090062	TPSA	40.5
208916	Structure_Complexity	153
221523	Defined_Bond_Stereo_Count	0
55285	Undefined_Bond_Stereo_Count	0
123678537	Hydrogen_Bond_Donor_Count	0
156588466	Molecular_Weight	709.3
77531	Non-hydrogen_Atom_Count	8
91248258	Defined_Bond_Stereo_Count	0
208920	Defined_Bond_Stereo_Count	0
91322204	Mono_Isotopic_Weight	112.088815002
45256108	Undefined_Bond_Stereo_Count	0
54682930	Undefined_Atom_Stereo_Count	0
3058754	TPSA	95.6
57394195	Undefined_Bond_Stereo_Count	0
7522	Exact_Mass	104.037448136
121734	Hydrogen_Bond_Donor_Count	1
101863	Tautomer_Count	1
58325	Rotatable_Bond_Count	4
74442	Hydrogen_Bond_Acceptor_Count	2
69982	XLogP3	1.7
71459117	Hydrogen_Bond_Donor_Count	1
10264356	XLogP3	2.5
9965424	Defined_Bond_Stereo_Count	0
46241268	Total_Formal_Charge	0
87714	Structure_Complexity	39.2
142647132	Hydrogen_Bond_Acceptor_Count	3
62369	Non-hydrogen_Atom_Count	20
3083540	Tautomer_Count	1
5284530	Rotatable_Bond_Count	7
25182616	Defined_Bond_Stereo_Count	0
89664	Defined_Bond_Stereo_Count	0
91326539	Undefined_Atom_Stereo_Count	0
7766	XLogP3	1.2
25612	Isotope_Atom_Count	0
65708	Molecular_Weight	190.20
439791	Undefined_Atom_Stereo_Count	0
50614	Mono_Isotopic_Weight	575.00214522
3033983	Isotope_Atom_Count	0
87474167	Defined_Bond_Stereo_Count	0
87716431	Exact_Mass	1058.0796341
145913182	Undefined_Bond_Stereo_Count	0
11159354	Structure_Complexity	134
6004	Mono_Isotopic_Weight	125.99867984
84693	Defined_Bond_Stereo_Count	0
52943333	Exact_Mass	421.14133951
170317	Total_Formal_Charge	0
14207546	Hydrogen_Bond_Donor_Count	1
637541	Isotope_Atom_Count	0
13256	Hydrogen_Bond_Donor_Count	0
38253	Hydrogen_Bond_Acceptor_Count	2
49800000	Undefined_Atom_Stereo_Count	1
15066029	Molecular_Weight	116.16
10352112	Defined_Bond_Stereo_Count	0
68321854	Mono_Isotopic_Weight	337.15387487
14782182	Undefined_Atom_Stereo_Count	0
44916	Defined_Atom_Stereo_Count	0
125127453	Rotatable_Bond_Count	3
537055	XLogP3-AA	14.3
51029603	Hydrogen_Bond_Donor_Count	0
96665	Undefined_Atom_Stereo_Count	0
9589475	TPSA	259
21879756	Undefined_Bond_Stereo_Count	0
95659	Exact_Mass	198.104465066
123373137	Defined_Atom_Stereo_Count	0
102059894	Hydrogen_Bond_Donor_Count	3
5486209	Undefined_Atom_Stereo_Count	0
138137	Defined_Bond_Stereo_Count	0
16211197	Undefined_Bond_Stereo_Count	0
73415798	Hydrogen_Bond_Donor_Count	9
8510	TPSA	80
119025724	Exact_Mass	909.93464
9870185	Hydrogen_Bond_Acceptor_Count	5
5282226	Hydrogen_Bond_Acceptor_Count	9
448126	Isotope_Atom_Count	0
46173802	Non-hydrogen_Atom_Count	36
57280	Defined_Atom_Stereo_Count	0
27124	Undefined_Bond_Stereo_Count	1
8398	Non-hydrogen_Atom_Count	25
12454	Structure_Complexity	509
5003059	Covalent_Unit_Count	1
73920	Mono_Isotopic_Weight	342.06405680
145994598	Undefined_Atom_Stereo_Count	3
88093945	TPSA	60.7
18759351	Isotope_Atom_Count	0
18551400	Total_Formal_Charge	0
124201453	Isotope_Atom_Count	0
76398	Non-hydrogen_Atom_Count	7
19547	Undefined_Bond_Stereo_Count	0
54793	XLogP3-AA	3.8
10264356	Covalent_Unit_Count	1
60196353	Isotope_Atom_Count	0
5702237	Mono_Isotopic_Weight	317.11106656
178024	TPSA	130
71932	XLogP3-AA	4.9
16058317	Hydrogen_Bond_Acceptor_Count	19
68137	Molecular_Weight	180.16
141024055	Mono_Isotopic_Weight	108.068748264
347476	Covalent_Unit_Count	1
12047567	Exact_Mass	1150.44734
606430	Hydrogen_Bond_Donor_Count	0
54058352	Mono_Isotopic_Weight	115.063328530
11420409	TPSA	103
185818	TPSA	123
11467403	Structure_Complexity	683
443753	Tautomer_Count	3
24864463	TPSA	72.8
69222	Undefined_Bond_Stereo_Count	0
3058	Mono_Isotopic_Weight	478.25308057
15752	Isotope_Atom_Count	0
7118	Isotope_Atom_Count	0
2733294	Molecular_Weight	142.20
10295970	Covalent_Unit_Count	1
6071	Undefined_Bond_Stereo_Count	0
31369	Hydrogen_Bond_Donor_Count	0
52944109	Molecular_Weight	415.4
9892071	Exact_Mass	497.16542806
87098264	Defined_Atom_Stereo_Count	0
93702	Exact_Mass	728.0672755
14947250	Isotope_Atom_Count	0
2524	Hydrogen_Bond_Donor_Count	3
7451	Rotatable_Bond_Count	2
3790357	Rotatable_Bond_Count	1
100934359	Structure_Complexity	96.4
439299	Structure_Complexity	367
44144474	Molecular_Weight	631.8
12502754	Defined_Atom_Stereo_Count	0
11556910	Hydrogen_Bond_Acceptor_Count	11
310360	TPSA	110
12262514	Defined_Atom_Stereo_Count	0
408536	TPSA	23.5
359	Total_Formal_Charge	0
6917681	Hydrogen_Bond_Donor_Count	3
44112	Defined_Bond_Stereo_Count	0
86308705	Isotope_Atom_Count	0
1708	XLogP3-AA	1.6
135424747	Exact_Mass	676.11560492
2100	Structure_Complexity	1840
519849	Covalent_Unit_Count	1
542892	Defined_Bond_Stereo_Count	0
10887840	Covalent_Unit_Count	1
126514	XLogP3-AA	3
445319	Hydrogen_Bond_Acceptor_Count	2
285106	Undefined_Bond_Stereo_Count	0
23525993	Structure_Complexity	91.1
53405	TPSA	74.4
29691	Undefined_Atom_Stereo_Count	0
9265	Mono_Isotopic_Weight	98.109550447
69341756	Non-hydrogen_Atom_Count	8
7680	Isotope_Atom_Count	0
59295925	Undefined_Bond_Stereo_Count	0
139062526	Defined_Bond_Stereo_Count	0
21677760	TPSA	60.2
65522	Molecular_Weight	163.99
44310710	Hydrogen_Bond_Donor_Count	0
6046	Non-hydrogen_Atom_Count	8
60196314	Defined_Bond_Stereo_Count	0
15222234	Covalent_Unit_Count	1
5311211	Undefined_Bond_Stereo_Count	0
45051637	Molecular_Weight	278.5
69913	Molecular_Weight	224.21
43558816	Molecular_Weight	114.10
100524	Isotope_Atom_Count	0
70579	Hydrogen_Bond_Acceptor_Count	0
10297818	Covalent_Unit_Count	1
11706282	Undefined_Atom_Stereo_Count	0
59850618	Total_Formal_Charge	0
137319701	Non-hydrogen_Atom_Count	28
556722	Non-hydrogen_Atom_Count	8
916113	Defined_Atom_Stereo_Count	0
26979	Mono_Isotopic_Weight	85.97330797
76991	Exact_Mass	186.068079557
13117013	Defined_Bond_Stereo_Count	0
87216	Hydrogen_Bond_Donor_Count	4
2763750	Non-hydrogen_Atom_Count	16
11635763	Hydrogen_Bond_Acceptor_Count	9
9521	TPSA	52
23729769	Covalent_Unit_Count	1
6917681	TPSA	44.4
962	Structure_Complexity	0
9930243	Defined_Bond_Stereo_Count	0
16049289	Hydrogen_Bond_Acceptor_Count	7
21496049	TPSA	26.3
96821	Total_Formal_Charge	0
62788	Hydrogen_Bond_Donor_Count	4
533840	Structure_Complexity	39.2
9889168	Covalent_Unit_Count	2
20323	XLogP3-AA	1.6
518818	Defined_Atom_Stereo_Count	0
98053103	Undefined_Bond_Stereo_Count	0
3708	Covalent_Unit_Count	1
55515	Total_Formal_Charge	0
72388	TPSA	40.5
31294	Isotope_Atom_Count	0
7961	TPSA	0
71429557	Isotope_Atom_Count	0
54712667	Total_Formal_Charge	0
6539286	XLogP3-AA	3.7
134715456	Non-hydrogen_Atom_Count	29
522693	Defined_Atom_Stereo_Count	0
114849	Mono_Isotopic_Weight	131.069476538
71210615	Non-hydrogen_Atom_Count	23
90393	Structure_Complexity	292
95295	Defined_Atom_Stereo_Count	0
17407	Hydrogen_Bond_Acceptor_Count	3
163829	Exact_Mass	1392.73362573
135400184	Hydrogen_Bond_Donor_Count	2
163872486	Defined_Atom_Stereo_Count	11
4234	Molecular_Weight	678.8
11829356	TPSA	29.5
73566	Defined_Bond_Stereo_Count	0
10757	Mono_Isotopic_Weight	154.0185425
23279022	Exact_Mass	102.115698455
521204	Mono_Isotopic_Weight	347.224914549
5318042	Mono_Isotopic_Weight	100.088815002
9958278	Exact_Mass	519.13517331
132095682	Hydrogen_Bond_Acceptor_Count	3
20024	Non-hydrogen_Atom_Count	5
24180717	TPSA	68.7
82202	Tautomer_Count	2
186003	Mono_Isotopic_Weight	103.042199164
3829279	Defined_Bond_Stereo_Count	0
8497	Hydrogen_Bond_Acceptor_Count	4
71821	Structure_Complexity	276
270299	Total_Formal_Charge	0
447342	Covalent_Unit_Count	1
13781092	Hydrogen_Bond_Acceptor_Count	6
642781	Structure_Complexity	165
13379149	Tautomer_Count	1
5311429	Mono_Isotopic_Weight	173.10519334
451189	Rotatable_Bond_Count	1
136649153	Hydrogen_Bond_Acceptor_Count	3
72786882	Undefined_Bond_Stereo_Count	0
6440728	Hydrogen_Bond_Acceptor_Count	3
2568387	Undefined_Bond_Stereo_Count	0
54744	Hydrogen_Bond_Acceptor_Count	4
54688706	Hydrogen_Bond_Acceptor_Count	12
34829729	Structure_Complexity	659
89769286	Rotatable_Bond_Count	2
68741375	Undefined_Bond_Stereo_Count	0
10814237	Mono_Isotopic_Weight	470.33960994
97577	Non-hydrogen_Atom_Count	17
359	Non-hydrogen_Atom_Count	9
6440792	Defined_Atom_Stereo_Count	1
3364	Defined_Bond_Stereo_Count	0
10168	Defined_Bond_Stereo_Count	0
73285	Total_Formal_Charge	0
78457	Undefined_Atom_Stereo_Count	0
9948588	Exact_Mass	309.184112366
67614074	TPSA	44.2
7510	Defined_Atom_Stereo_Count	0
153254665	TPSA	3
548989	Defined_Atom_Stereo_Count	0
129797481	Isotope_Atom_Count	0
53880	Covalent_Unit_Count	1
71584541	Hydrogen_Bond_Acceptor_Count	6
18352756	Covalent_Unit_Count	1
441407	Isotope_Atom_Count	0
4618	Defined_Atom_Stereo_Count	0
31364	Non-hydrogen_Atom_Count	13
19098324	Defined_Atom_Stereo_Count	0
9841854	Undefined_Atom_Stereo_Count	0
85916	Mono_Isotopic_Weight	100.063662883
27891	Structure_Complexity	272
5392139	TPSA	63.6
7095	Structure_Complexity	100
41897	Isotope_Atom_Count	0
22759544	XLogP3-AA	0.1
69333782	TPSA	45.2
59525132	Isotope_Atom_Count	0
16685262	Defined_Bond_Stereo_Count	0
7496	XLogP3-AA	3.7
90904309	Defined_Bond_Stereo_Count	0
7214	Undefined_Bond_Stereo_Count	1
91770	Total_Formal_Charge	0
15939272	Total_Formal_Charge	0
644160	Total_Formal_Charge	0
74209	Rotatable_Bond_Count	15
24180719	Rotatable_Bond_Count	6
5324	Hydrogen_Bond_Donor_Count	3
12091	Total_Formal_Charge	0
20571541	Hydrogen_Bond_Donor_Count	1
154734173	XLogP3-AA	0.2
18373078	Exact_Mass	97.016378338
14454	Exact_Mass	102.104465066
173411	Hydrogen_Bond_Donor_Count	6
80599	Hydrogen_Bond_Acceptor_Count	1
123809	Hydrogen_Bond_Donor_Count	11
5311308	Molecular_Weight	301.77
5282474	Non-hydrogen_Atom_Count	35
18636	Undefined_Atom_Stereo_Count	0
1382042	Isotope_Atom_Count	0
6532434	Undefined_Atom_Stereo_Count	0
5311398	Isotope_Atom_Count	0
114840	Defined_Bond_Stereo_Count	0
73343	Structure_Complexity	96.6
676157	Tautomer_Count	11
22221737	Undefined_Atom_Stereo_Count	0
522448	Exact_Mass	100.088815002
76949	Hydrogen_Bond_Donor_Count	0
12991	Exact_Mass	70.041864811
21939031	Mono_Isotopic_Weight	97.027611728
23058074	Mono_Isotopic_Weight	111.068413911
141297532	TPSA	38.6
593919	TPSA	50.2
1342	Structure_Complexity	223
123914282	Undefined_Bond_Stereo_Count	0
629365	Total_Formal_Charge	0
134688510	Molecular_Weight	560.6
13153908	TPSA	23.6
5959	Exact_Mass	322.0123269
123704723	Mono_Isotopic_Weight	112.088815002
2512	Hydrogen_Bond_Donor_Count	2
22338748	Mono_Isotopic_Weight	96.057514874
542372	Covalent_Unit_Count	1
6658	TPSA	26.3
10675	Hydrogen_Bond_Donor_Count	1
12021	Non-hydrogen_Atom_Count	6
224243	Defined_Bond_Stereo_Count	0
19089031	Non-hydrogen_Atom_Count	7
54187438	Structure_Complexity	74.2
111314	Defined_Bond_Stereo_Count	0
22082547	Structure_Complexity	77.7
168381	Total_Formal_Charge	0
25263111	Undefined_Bond_Stereo_Count	0
86834	Isotope_Atom_Count	0
2733797	Defined_Atom_Stereo_Count	5
15266968	Non-hydrogen_Atom_Count	8
54544033	Hydrogen_Bond_Acceptor_Count	9
2778461	Hydrogen_Bond_Donor_Count	1
3710788	Defined_Bond_Stereo_Count	0
153856780	Undefined_Atom_Stereo_Count	0
11393	Undefined_Atom_Stereo_Count	0
20688852	Hydrogen_Bond_Acceptor_Count	2
158770620	Non-hydrogen_Atom_Count	8
86287410	Molecular_Weight	315.4
11499271	Rotatable_Bond_Count	2
5484	Hydrogen_Bond_Donor_Count	0
10678193	Non-hydrogen_Atom_Count	7
56621335	Mono_Isotopic_Weight	86.084398327
75994	Undefined_Atom_Stereo_Count	0
24864821	Mono_Isotopic_Weight	383.13822480
14691612	Undefined_Atom_Stereo_Count	1
5971	Isotope_Atom_Count	0
425400	Mono_Isotopic_Weight	530.39712482
17763680	Hydrogen_Bond_Donor_Count	2
65468	Structure_Complexity	499
25612	Mono_Isotopic_Weight	156.151415257
56846609	Non-hydrogen_Atom_Count	20
3086652	Undefined_Bond_Stereo_Count	0
57461868	Mono_Isotopic_Weight	107.048347172
137071	Hydrogen_Bond_Donor_Count	1
64646	Molecular_Weight	464.8
10046162	Undefined_Atom_Stereo_Count	0
84647732	Undefined_Atom_Stereo_Count	1
15284	Exact_Mass	512.24101810
131443	Tautomer_Count	1
78493	Hydrogen_Bond_Acceptor_Count	1
57395975	Rotatable_Bond_Count	9
10207	Tautomer_Count	24
6324	Undefined_Bond_Stereo_Count	0
6409	Structure_Complexity	38.5
16219954	Total_Formal_Charge	0
23187246	Defined_Bond_Stereo_Count	0
41881	TPSA	145
708614	Isotope_Atom_Count	0
14798	Defined_Bond_Stereo_Count	0
907178	Rotatable_Bond_Count	7
138059664	Molecular_Weight	1467.5
61370	Defined_Atom_Stereo_Count	0
17358	Isotope_Atom_Count	0
15584178	Defined_Atom_Stereo_Count	0
5757	Hydrogen_Bond_Acceptor_Count	2
667483	XLogP3-AA	3.8
16211171	Hydrogen_Bond_Acceptor_Count	4
70690020	Non-hydrogen_Atom_Count	31
3943	Hydrogen_Bond_Acceptor_Count	9
78035	Mono_Isotopic_Weight	83.048347172
98468	Mono_Isotopic_Weight	223.136099547
701198	TPSA	76.7
642209	Structure_Complexity	95.6
124202844	Non-hydrogen_Atom_Count	32
4110039	Mono_Isotopic_Weight	132.00096561
60464	Covalent_Unit_Count	1
86607	TPSA	46.5
6016	Hydrogen_Bond_Acceptor_Count	2
8797	Covalent_Unit_Count	1
53837146	Rotatable_Bond_Count	3
138113391	Structure_Complexity	1830
57038995	Non-hydrogen_Atom_Count	7
969462	Undefined_Bond_Stereo_Count	0
80599	TPSA	1
10634	TPSA	40.5
9860946	Isotope_Atom_Count	0
5702114	Defined_Bond_Stereo_Count	0
16907	Defined_Bond_Stereo_Count	0
19739476	Non-hydrogen_Atom_Count	7
5284441	Isotope_Atom_Count	0
29778	Hydrogen_Bond_Donor_Count	1
87279996	Defined_Bond_Stereo_Count	0
55284178	Hydrogen_Bond_Acceptor_Count	4
119097769	XLogP3-AA	0.6
12448	Exact_Mass	301.157897619
102232	TPSA	78.9
57336523	Tautomer_Count	48
47	Defined_Atom_Stereo_Count	0
10251906	Mono_Isotopic_Weight	427.06444
596	Defined_Bond_Stereo_Count	0
1753	Defined_Atom_Stereo_Count	0
4529	Non-hydrogen_Atom_Count	53
53315139	Defined_Atom_Stereo_Count	10
99295	Defined_Atom_Stereo_Count	0
20298629	Rotatable_Bond_Count	8
68216	Non-hydrogen_Atom_Count	16
54695720	TPSA	214
2321753	Hydrogen_Bond_Donor_Count	1
115011049	Defined_Bond_Stereo_Count	0
5702144	Undefined_Atom_Stereo_Count	0
14195	Defined_Bond_Stereo_Count	0
919792	Undefined_Atom_Stereo_Count	0
2604	Molecular_Weight	268.31
13506	Molecular_Weight	604.5
68304261	Total_Formal_Charge	0
1711973	XLogP3	5.5
6993205	Exact_Mass	304.04603776
2987927	Mono_Isotopic_Weight	292.08816355
32031	Structure_Complexity	165
22153558	Hydrogen_Bond_Acceptor_Count	1
688492	XLogP3-AA	0.5
4369502	XLogP3-AA	3.1
21893333	Undefined_Atom_Stereo_Count	2
146678	Defined_Bond_Stereo_Count	0
37366	Exact_Mass	221.03329170
644109	Covalent_Unit_Count	1
23422	Hydrogen_Bond_Donor_Count	8
51357124	Hydrogen_Bond_Acceptor_Count	5
20559620	Isotope_Atom_Count	0
44401302	Rotatable_Bond_Count	9
95170	Structure_Complexity	227
14794988	Molecular_Weight	111.15
139	Isotope_Atom_Count	0
66417	XLogP3-AA	2.9
86439	Hydrogen_Bond_Donor_Count	0
10574415	Undefined_Atom_Stereo_Count	0
3246605	XLogP3-AA	4.6
40489	Defined_Bond_Stereo_Count	0
60749	Rotatable_Bond_Count	2
85945	Non-hydrogen_Atom_Count	11
551387	Structure_Complexity	203
446915	Defined_Atom_Stereo_Count	0
220338	Defined_Atom_Stereo_Count	5
57399910	Defined_Atom_Stereo_Count	0
16682834	Covalent_Unit_Count	1
12508473	Isotope_Atom_Count	0
44560574	Defined_Atom_Stereo_Count	1
134129158	Molecular_Weight	338.22
5371993	Defined_Bond_Stereo_Count	2
11957654	Structure_Complexity	518
12146767	Molecular_Weight	81.12
14892	Defined_Atom_Stereo_Count	2
71371762	Isotope_Atom_Count	0
22160831	TPSA	33
48229	Non-hydrogen_Atom_Count	30
85979179	Molecular_Weight	83.09
171092	Molecular_Weight	264.4
11442891	Structure_Complexity	731
15816	Hydrogen_Bond_Donor_Count	2
18757800	Total_Formal_Charge	0
154561905	Hydrogen_Bond_Acceptor_Count	1
2914	Structure_Complexity	903
461666	Exact_Mass	384.13213636
96316	XLogP3-AA	0.5
5326960	Isotope_Atom_Count	0
277767	Defined_Bond_Stereo_Count	0
46227489	Hydrogen_Bond_Donor_Count	2
5282452	Hydrogen_Bond_Donor_Count	3
513	Rotatable_Bond_Count	5
4156	Mono_Isotopic_Weight	110.00376522
1074	TPSA	137
14502976	Defined_Bond_Stereo_Count	0
86999	Isotope_Atom_Count	0
5460853	Mono_Isotopic_Weight	203.082052598
121192	Rotatable_Bond_Count	0
2981	Non-hydrogen_Atom_Count	16
7762	XLogP3-AA	1.3
20578853	Undefined_Atom_Stereo_Count	2
26191	TPSA	49.7
2161	Covalent_Unit_Count	1
11269297	Structure_Complexity	535
24802149	Exact_Mass	180.06338810
24977371	Molecular_Weight	112.17
123776311	Covalent_Unit_Count	1
10278166	Mono_Isotopic_Weight	489.989931
58126	Hydrogen_Bond_Donor_Count	1
54685920	Tautomer_Count	420
71898	Undefined_Bond_Stereo_Count	0
18338555	TPSA	61.7
102491	Defined_Atom_Stereo_Count	0
21585056	Hydrogen_Bond_Donor_Count	1
82161	TPSA	66.8
24752885	Structure_Complexity	311
44577705	Total_Formal_Charge	0
11715	Structure_Complexity	42.2
99143	Hydrogen_Bond_Donor_Count	2
71949	Molecular_Weight	461.8
14930278	Exact_Mass	431.07575
54231313	Hydrogen_Bond_Donor_Count	1
123867503	Total_Formal_Charge	0
10907686	Exact_Mass	110.073164938
14852098	Total_Formal_Charge	0
19014	Non-hydrogen_Atom_Count	14
2469	Defined_Atom_Stereo_Count	0
11681588	Non-hydrogen_Atom_Count	25
4447605	Non-hydrogen_Atom_Count	7
12056759	Undefined_Bond_Stereo_Count	0
44419240	Exact_Mass	341.11979803
538	Total_Formal_Charge	0
134925337	Defined_Bond_Stereo_Count	0
54870	TPSA	28.5
20680013	Hydrogen_Bond_Donor_Count	0
135837103	XLogP3-AA	0.1
11304	Total_Formal_Charge	0
44552607	Undefined_Atom_Stereo_Count	1
51170	Structure_Complexity	209
12576851	Hydrogen_Bond_Acceptor_Count	3
115355	Covalent_Unit_Count	1
53877022	Hydrogen_Bond_Donor_Count	0
54245381	Structure_Complexity	59.5
71624098	Non-hydrogen_Atom_Count	27
65099	Exact_Mass	510.15393443
33710	XLogP3-AA	15.771
859174	Rotatable_Bond_Count	4
54502555	Undefined_Atom_Stereo_Count	1
87704872	Undefined_Atom_Stereo_Count	1
23307900	Defined_Bond_Stereo_Count	0
57547	TPSA	18.1
159889	Undefined_Atom_Stereo_Count	0
90558	Exact_Mass	144.04225873
123801229	TPSA	29.1
10976469	Mono_Isotopic_Weight	199.02457404
2749	Molecular_Weight	207.27
545093	Rotatable_Bond_Count	1
5280707	Defined_Bond_Stereo_Count	1
76196	Hydrogen_Bond_Donor_Count	2
24194381	Defined_Bond_Stereo_Count	0
11979741	Molecular_Weight	1448.7
5319404	Covalent_Unit_Count	1
141295139	Undefined_Bond_Stereo_Count	0
15132	Isotope_Atom_Count	0
16958	Defined_Bond_Stereo_Count	0
98053103	Undefined_Atom_Stereo_Count	0
91766	Rotatable_Bond_Count	4
44565820	Non-hydrogen_Atom_Count	23
79441	Total_Formal_Charge	0
443037	Undefined_Atom_Stereo_Count	0
55515	Hydrogen_Bond_Donor_Count	0
153989152	Molecular_Weight	111.10
8467	Mono_Isotopic_Weight	166.062994177
86882	TPSA	26.3
11246	Non-hydrogen_Atom_Count	5
25142177	Total_Formal_Charge	0
44144517	Defined_Atom_Stereo_Count	1
12084878	Exact_Mass	102.068079557
1459	Non-hydrogen_Atom_Count	24
137699188	Covalent_Unit_Count	1
156497240	Isotope_Atom_Count	0
3891	Total_Formal_Charge	0
1712094	Rotatable_Bond_Count	3
9878679	Defined_Bond_Stereo_Count	0
8699	Tautomer_Count	10
25210	Hydrogen_Bond_Donor_Count	2
5362736	Molecular_Weight	236.39
25375	XLogP3-AA	1.5
13516406	Structure_Complexity	61.5
162908	Mono_Isotopic_Weight	372.208930132
142739236	Hydrogen_Bond_Donor_Count	1
18355900	Defined_Atom_Stereo_Count	0
49865495	Exact_Mass	305.116426730
6628	Total_Formal_Charge	0
439285	Defined_Bond_Stereo_Count	0
5329102	Exact_Mass	398.21180428
23381756	Undefined_Atom_Stereo_Count	0
9954082	Mono_Isotopic_Weight	423.2904073
63958	Total_Formal_Charge	0
16049158	Hydrogen_Bond_Donor_Count	5
131704172	Defined_Bond_Stereo_Count	0
19427	Undefined_Bond_Stereo_Count	0
9934032	Defined_Bond_Stereo_Count	0
45351	Molecular_Weight	277.79
15790	TPSA	27.6
20705517	Covalent_Unit_Count	1
20693488	XLogP3-AA	0.6
66251	Molecular_Weight	465.0
14301363	Mono_Isotopic_Weight	408.28757437
146158553	Non-hydrogen_Atom_Count	42
7470	XLogP3	2.3
71719928	Rotatable_Bond_Count	18
137347968	Defined_Bond_Stereo_Count	0
35455	Rotatable_Bond_Count	4
11355437	Molecular_Weight	78.071
86764	Hydrogen_Bond_Donor_Count	0
67950444	Hydrogen_Bond_Donor_Count	5
136305445	Exact_Mass	114.00654193
2160	Covalent_Unit_Count	1
49852344	Covalent_Unit_Count	1
81233	Rotatable_Bond_Count	5
5241	Non-hydrogen_Atom_Count	19
130904	Defined_Atom_Stereo_Count	5
69733	Undefined_Bond_Stereo_Count	0
94213	Defined_Atom_Stereo_Count	0
87363	Total_Formal_Charge	0
135611162	Non-hydrogen_Atom_Count	36
44631912	Undefined_Bond_Stereo_Count	0
53465	Tautomer_Count	1
222199	Covalent_Unit_Count	1
73285	Hydrogen_Bond_Donor_Count	0
441290	Hydrogen_Bond_Donor_Count	1
60943	Molecular_Weight	620.5
6921800	Total_Formal_Charge	1
56704	Structure_Complexity	410
15739357	Hydrogen_Bond_Donor_Count	0
12389634	Exact_Mass	94.078250319
51136560	Non-hydrogen_Atom_Count	63
423072	Isotope_Atom_Count	0
122670	Mono_Isotopic_Weight	159.079647300
12382883	Mono_Isotopic_Weight	213.10481667
491941	TPSA	143
59481545	Total_Formal_Charge	0
13356643	TPSA	20.2
23029	Mono_Isotopic_Weight	217.94979
1712058	Structure_Complexity	199
7464	Mono_Isotopic_Weight	135.104799419
58420727	Hydrogen_Bond_Acceptor_Count	3
34755	Defined_Atom_Stereo_Count	5
170049	Hydrogen_Bond_Donor_Count	4
450503	Rotatable_Bond_Count	1
17895808	XLogP3-AA	0.3
637540	Undefined_Atom_Stereo_Count	0
95361	XLogP3-AA	0.1
20587	Rotatable_Bond_Count	5
635186	Undefined_Bond_Stereo_Count	0
135443389	Hydrogen_Bond_Donor_Count	3
72775170	TPSA	58.6
19101060	Undefined_Bond_Stereo_Count	0
135887831	Structure_Complexity	1220
129774195	Total_Formal_Charge	0
19810797	Molecular_Weight	116.16
11951725	Total_Formal_Charge	0
124504488	Structure_Complexity	382
51346808	Structure_Complexity	638
9643	Hydrogen_Bond_Donor_Count	0
431630	Defined_Bond_Stereo_Count	0
62341	Molecular_Weight	164.20
140990657	TPSA	44.5
15707	Undefined_Atom_Stereo_Count	1
4146595	Defined_Atom_Stereo_Count	0
7098662	Undefined_Bond_Stereo_Count	0
166450901	Defined_Atom_Stereo_Count	4
11532248	Covalent_Unit_Count	1
3081185	Rotatable_Bond_Count	4
10953434	Structure_Complexity	76.1
440560	Rotatable_Bond_Count	5
13035004	Defined_Bond_Stereo_Count	0
60054	Hydrogen_Bond_Donor_Count	3
82291	Covalent_Unit_Count	2
10149288	Non-hydrogen_Atom_Count	18
148931547	Exact_Mass	1201.84136802
150841	Hydrogen_Bond_Donor_Count	1
133612130	Rotatable_Bond_Count	44
25142042	Mono_Isotopic_Weight	408.19615422
19998	Rotatable_Bond_Count	2
25217	Hydrogen_Bond_Donor_Count	0
13076	Mono_Isotopic_Weight	206.109550447
5459220	TPSA	215
46195832	Tautomer_Count	308
6436117	Undefined_Atom_Stereo_Count	0
16120	Total_Formal_Charge	0
53435160	XLogP3-AA	0.2
66119	Hydrogen_Bond_Donor_Count	0
13192	Structure_Complexity	169
14740383	Hydrogen_Bond_Donor_Count	0
13601826	Undefined_Atom_Stereo_Count	1
27436	Isotope_Atom_Count	0
141779543	Mono_Isotopic_Weight	98.073164938
21192822	Mono_Isotopic_Weight	418.1120432
275903	Hydrogen_Bond_Donor_Count	0
91984	Molecular_Weight	191.31
156414	Total_Formal_Charge	0
5748846	Hydrogen_Bond_Donor_Count	5
92032367	Defined_Bond_Stereo_Count	1
60751	Covalent_Unit_Count	1
15681692	Covalent_Unit_Count	1
4787	TPSA	64.5
69465	Tautomer_Count	1
21014417	Total_Formal_Charge	0
10770	Molecular_Weight	261.36
123803633	Total_Formal_Charge	0
25142310	Defined_Bond_Stereo_Count	0
595928	Isotope_Atom_Count	0
2997	XLogP3	2.9
129696858	Defined_Bond_Stereo_Count	0
41794	Hydrogen_Bond_Acceptor_Count	2
11473	Defined_Bond_Stereo_Count	0
165995893	Isotope_Atom_Count	0
98626	Non-hydrogen_Atom_Count	13
328883	TPSA	46.5
5329102	Non-hydrogen_Atom_Count	29
13159	Rotatable_Bond_Count	2
11829365	Covalent_Unit_Count	1
8548	Exact_Mass	324.183778013
447534	Defined_Bond_Stereo_Count	0
78933	Non-hydrogen_Atom_Count	25
13487238	Defined_Atom_Stereo_Count	0
4043	Defined_Atom_Stereo_Count	0
10219402	Mono_Isotopic_Weight	112.052429494
21466942	Hydrogen_Bond_Acceptor_Count	3
25023847	XLogP3-AA	3
12899069	TPSA	118
22392829	Structure_Complexity	108
15979	Mono_Isotopic_Weight	268.313001276
575802	Non-hydrogen_Atom_Count	14
46233311	Hydrogen_Bond_Donor_Count	2
11768544	Undefined_Atom_Stereo_Count	0
131839562	Hydrogen_Bond_Acceptor_Count	13
10081060	Mono_Isotopic_Weight	183.07390984
4453511	Exact_Mass	301.9973455
90990	Non-hydrogen_Atom_Count	7
22125	Defined_Bond_Stereo_Count	0
10204	XLogP3	3.3
223866	Defined_Atom_Stereo_Count	0
71336	Exact_Mass	436.26269704
74170	Defined_Bond_Stereo_Count	0
500	Undefined_Atom_Stereo_Count	0
71541190	Structure_Complexity	230
11095	Hydrogen_Bond_Acceptor_Count	6
129729130	Covalent_Unit_Count	1
120269	Isotope_Atom_Count	0
2775510	Isotope_Atom_Count	0
57397762	Hydrogen_Bond_Acceptor_Count	5
36858	Tautomer_Count	1
3084169	Defined_Bond_Stereo_Count	0
21450	Hydrogen_Bond_Acceptor_Count	3
129009973	Hydrogen_Bond_Acceptor_Count	4
69444	TPSA	7.1
9857256	Non-hydrogen_Atom_Count	18
12774755	Defined_Bond_Stereo_Count	0
84308	Non-hydrogen_Atom_Count	6
3605	Undefined_Bond_Stereo_Count	0
15209694	Covalent_Unit_Count	1
2724277	Hydrogen_Bond_Donor_Count	0
2340	Undefined_Atom_Stereo_Count	4
54675830	Hydrogen_Bond_Acceptor_Count	3
88287569	Mono_Isotopic_Weight	112.088815002
25015694	Hydrogen_Bond_Acceptor_Count	8
13396127	Total_Formal_Charge	0
10789	Total_Formal_Charge	0
2818146	Defined_Bond_Stereo_Count	0
123404946	TPSA	23.8
3781	Hydrogen_Bond_Acceptor_Count	4
2184	Rotatable_Bond_Count	17
93321	Defined_Atom_Stereo_Count	5
283813	TPSA	29.1
1548953	Total_Formal_Charge	0
156285535	Isotope_Atom_Count	0
55288485	TPSA	52.9
2903	Hydrogen_Bond_Acceptor_Count	1
12525	Covalent_Unit_Count	3
88406	Mono_Isotopic_Weight	144.078644241
66070	Tautomer_Count	3
65763	Rotatable_Bond_Count	7
57330203	Isotope_Atom_Count	0
10142377	TPSA	149
8141	Undefined_Atom_Stereo_Count	0
22225791	Isotope_Atom_Count	0
4682	Exact_Mass	1401.73914735
22086042	Isotope_Atom_Count	0
130443213	Total_Formal_Charge	0
139269842	Hydrogen_Bond_Acceptor_Count	3
5311053	Total_Formal_Charge	0
98502	Non-hydrogen_Atom_Count	8
12256	TPSA	9.2
15586	Tautomer_Count	1
71141	Non-hydrogen_Atom_Count	33
20759	Mono_Isotopic_Weight	150.068079557
12375133	Covalent_Unit_Count	1
600809	TPSA	26
241419	Hydrogen_Bond_Donor_Count	1
3086157	Hydrogen_Bond_Donor_Count	1
89152969	Structure_Complexity	78.5
71012	Hydrogen_Bond_Acceptor_Count	1
9812642	Non-hydrogen_Atom_Count	101
102358067	Isotope_Atom_Count	0
136340880	Hydrogen_Bond_Donor_Count	1
549244	Molecular_Weight	110.11
14120104	Structure_Complexity	78.2
136721436	Isotope_Atom_Count	0
23662274	Undefined_Atom_Stereo_Count	0
25210	Tautomer_Count	3
6276	TPSA	20.2
44455234	Mono_Isotopic_Weight	366.10743665
154030350	TPSA	0
92666	Undefined_Bond_Stereo_Count	0
24096961	Defined_Bond_Stereo_Count	0
6452419	Hydrogen_Bond_Acceptor_Count	2
135532293	TPSA	106
76564	Hydrogen_Bond_Donor_Count	0
57398391	Molecular_Weight	324.4
2394	Undefined_Atom_Stereo_Count	12
54567078	Defined_Bond_Stereo_Count	0
91463	Molecular_Weight	170.25
143714846	Covalent_Unit_Count	1
34313	Structure_Complexity	273
44563067	Hydrogen_Bond_Acceptor_Count	6
71306720	Covalent_Unit_Count	1
90865	Hydrogen_Bond_Acceptor_Count	2
25150857	Defined_Bond_Stereo_Count	0
129009929	Structure_Complexity	415
5554	Exact_Mass	520.39164552
66297	TPSA	0
22150757	Defined_Atom_Stereo_Count	0
13973072	Total_Formal_Charge	0
441073	Tautomer_Count	1
20056755	Undefined_Bond_Stereo_Count	0
72741573	Defined_Bond_Stereo_Count	0
86790	Rotatable_Bond_Count	2
3000469	Exact_Mass	312.19367399
56964111	Covalent_Unit_Count	1
87300	Hydrogen_Bond_Acceptor_Count	2
75269	Mono_Isotopic_Weight	88.016043985
6445786	Mono_Isotopic_Weight	326.0952687
18428363	Exact_Mass	92.037448136
24916897	Molecular_Weight	508.7
6918160	Undefined_Bond_Stereo_Count	0
20638380	Total_Formal_Charge	0
9839243	Tautomer_Count	80
54057642	Non-hydrogen_Atom_Count	7
114789	XLogP3-AA	0.6
27979	Hydrogen_Bond_Acceptor_Count	2
7470	Tautomer_Count	6
17754178	Non-hydrogen_Atom_Count	10
6438373	Defined_Bond_Stereo_Count	1
67944215	Exact_Mass	180.06338810
3033677	Exact_Mass	411.14167629
38282	Rotatable_Bond_Count	1
194383	Hydrogen_Bond_Donor_Count	6
3641960	Exact_Mass	226.9783716
11115032	Covalent_Unit_Count	1
12149091	Non-hydrogen_Atom_Count	42
119057560	Isotope_Atom_Count	4
91196148	Mono_Isotopic_Weight	1201.84136802
13684986	Molecular_Weight	99.13
57526	Isotope_Atom_Count	0
7031	Non-hydrogen_Atom_Count	20
101743295	Structure_Complexity	441
763936	Structure_Complexity	208
2062	Structure_Complexity	621
53384398	Rotatable_Bond_Count	12
22998467	Covalent_Unit_Count	1
72078	Defined_Atom_Stereo_Count	7
630689	Mono_Isotopic_Weight	336.183778013
9966051	Molecular_Weight	298.4
9936	Undefined_Atom_Stereo_Count	0
62760	Total_Formal_Charge	0
44455730	Undefined_Atom_Stereo_Count	0
41478	Tautomer_Count	1
17882722	Hydrogen_Bond_Donor_Count	0
15983809	Defined_Atom_Stereo_Count	0
15273920	XLogP3-AA	1
92211533	Hydrogen_Bond_Acceptor_Count	7
9319	XLogP3-AA	6
58468319	Molecular_Weight	114.19
164575893	Total_Formal_Charge	0
59296000	XLogP3-AA	3.8
54311720	Isotope_Atom_Count	0
13019072	Molecular_Weight	416.6
66204	Hydrogen_Bond_Donor_Count	0
6441057	Exact_Mass	252.208930132
638019	Undefined_Atom_Stereo_Count	0
7999	Non-hydrogen_Atom_Count	7
821629	Isotope_Atom_Count	0
20548464	Total_Formal_Charge	0
12140167	Mono_Isotopic_Weight	110.03409409
16426	Undefined_Bond_Stereo_Count	0
57239380	Covalent_Unit_Count	1
71622657	Hydrogen_Bond_Donor_Count	1
66663660	Non-hydrogen_Atom_Count	7
75888	Defined_Bond_Stereo_Count	0
60059	Hydrogen_Bond_Donor_Count	0
3009	Defined_Atom_Stereo_Count	0
5282183	Undefined_Bond_Stereo_Count	0
59067341	Total_Formal_Charge	0
20093437	Exact_Mass	108.032362755
10967532	Mono_Isotopic_Weight	269.06880783
10017965	Undefined_Bond_Stereo_Count	0
4977	Hydrogen_Bond_Donor_Count	1
21520336	Molecular_Weight	309.62
17336	Mono_Isotopic_Weight	226.09535693
23974	Undefined_Bond_Stereo_Count	0
20587	TPSA	43.7
58854	Total_Formal_Charge	0
71584285	Exact_Mass	412.15691181
15287162	Structure_Complexity	735
6222	Covalent_Unit_Count	1
60160561	Non-hydrogen_Atom_Count	40
16167454	Molecular_Weight	2099.5
6433208	Undefined_Atom_Stereo_Count	0
20058737	TPSA	41.1
53670643	Exact_Mass	114.042927438
5280440	Defined_Bond_Stereo_Count	2
6436003	Exact_Mass	466.21555225
439918	Molecular_Weight	175.14
4075158	Rotatable_Bond_Count	11
12599701	Isotope_Atom_Count	0
124426476	Total_Formal_Charge	0
146159250	Undefined_Atom_Stereo_Count	17
23616669	Structure_Complexity	296
9075	Tautomer_Count	1
68975085	Hydrogen_Bond_Donor_Count	2
54682507	Undefined_Bond_Stereo_Count	0
10801933	Undefined_Bond_Stereo_Count	0
6077	Total_Formal_Charge	0
9821174	Covalent_Unit_Count	1
15482356	Undefined_Atom_Stereo_Count	1
92043128	Exact_Mass	837.16598
19375004	Structure_Complexity	67.4
22304	Rotatable_Bond_Count	11
12359154	Undefined_Atom_Stereo_Count	0
56680102	Mono_Isotopic_Weight	480.09039069
10558601	Hydrogen_Bond_Donor_Count	2
16241	Total_Formal_Charge	0
63036	Exact_Mass	512.12098
98876	TPSA	127
163285897	Defined_Atom_Stereo_Count	39
91489367	Non-hydrogen_Atom_Count	23
233085	Non-hydrogen_Atom_Count	25
11573	Hydrogen_Bond_Donor_Count	0
24208	Defined_Atom_Stereo_Count	0
24884361	Structure_Complexity	94.2
137214744	Molecular_Weight	796.9
85985944	Hydrogen_Bond_Donor_Count	0
23153	Defined_Bond_Stereo_Count	0
50397	Non-hydrogen_Atom_Count	12
67503	Isotope_Atom_Count	0
53846028	Rotatable_Bond_Count	0
3734	Molecular_Weight	777.1
25024304	Structure_Complexity	690
14051	Hydrogen_Bond_Donor_Count	6
5281609	Total_Formal_Charge	0
2455	Defined_Atom_Stereo_Count	0
46193082	Total_Formal_Charge	0
77569	Mono_Isotopic_Weight	214.95819
69340519	XLogP3-AA	0.4
13070698	Structure_Complexity	53.6
72200166	Defined_Atom_Stereo_Count	3
122522140	Non-hydrogen_Atom_Count	12
8523	TPSA	23.6
5798	Molecular_Weight	118.14
20190614	Non-hydrogen_Atom_Count	7
15406	Hydrogen_Bond_Donor_Count	1
64972	Rotatable_Bond_Count	2
4095	Defined_Bond_Stereo_Count	0
591313	Total_Formal_Charge	0
40326	Rotatable_Bond_Count	7
12786810	Structure_Complexity	95.6
433	Total_Formal_Charge	0
139171223	Rotatable_Bond_Count	5
25069561	Defined_Bond_Stereo_Count	0
155713	Total_Formal_Charge	0
13528	Mono_Isotopic_Weight	104.0028925
31237	Hydrogen_Bond_Donor_Count	0
1282	Covalent_Unit_Count	1
193090	Mono_Isotopic_Weight	102.031694049
163319916	TPSA	0
12594098	Undefined_Atom_Stereo_Count	3
773	Mono_Isotopic_Weight	155.069476538
448972	Mono_Isotopic_Weight	433.1316954
9533	Total_Formal_Charge	0
180098	Tautomer_Count	18
20912	Defined_Bond_Stereo_Count	0
58143010	Mono_Isotopic_Weight	116.047344113
10820489	Molecular_Weight	111.14
3603	Molecular_Weight	349.6
537344	Defined_Atom_Stereo_Count	0
57470525	Total_Formal_Charge	0
23634441	Defined_Atom_Stereo_Count	0
163900	Defined_Bond_Stereo_Count	0
55291103	Defined_Bond_Stereo_Count	0
161154	Hydrogen_Bond_Acceptor_Count	3
15624	Total_Formal_Charge	0
7267	XLogP3	2.3
135992859	XLogP3-AA	2
5256574	Molecular_Weight	152.25
71593	Defined_Atom_Stereo_Count	0
171558	Hydrogen_Bond_Acceptor_Count	12
219104	TPSA	79.3
10024782	Total_Formal_Charge	0
25227462	Undefined_Bond_Stereo_Count	0
80881	Defined_Atom_Stereo_Count	0
3060974	Exact_Mass	441.1819195
50990560	Hydrogen_Bond_Donor_Count	4
2377	Structure_Complexity	238
15442	Covalent_Unit_Count	1
141096113	Undefined_Atom_Stereo_Count	2
38307	Total_Formal_Charge	0
71356656	Undefined_Bond_Stereo_Count	1
5458165	Non-hydrogen_Atom_Count	37
70048	Defined_Atom_Stereo_Count	0
63013	Mono_Isotopic_Weight	299.1652068
11625340	Undefined_Atom_Stereo_Count	0
60503	Hydrogen_Bond_Acceptor_Count	2
2723730	Non-hydrogen_Atom_Count	9
61631	TPSA	26.3
18314506	Undefined_Bond_Stereo_Count	0
410702	Non-hydrogen_Atom_Count	18
1365	Structure_Complexity	698
8949	Total_Formal_Charge	0
11755113	Hydrogen_Bond_Acceptor_Count	10
4019563	Hydrogen_Bond_Donor_Count	2
123242204	Molecular_Weight	114.14
217048	Undefined_Atom_Stereo_Count	0
135403804	Hydrogen_Bond_Acceptor_Count	6
73707356	TPSA	145
5748551	Exact_Mass	284.06847348
68717	TPSA	56.8
7271	Hydrogen_Bond_Donor_Count	1
86821	TPSA	20.2
20307234	Undefined_Bond_Stereo_Count	0
564654	Hydrogen_Bond_Donor_Count	0
52999	Total_Formal_Charge	0
9955014	Structure_Complexity	545
14281432	Rotatable_Bond_Count	1
4896	TPSA	141
91936863	Structure_Complexity	1840
6669	Rotatable_Bond_Count	2
50989726	Isotope_Atom_Count	0
2417	Isotope_Atom_Count	0
11658655	Rotatable_Bond_Count	1
70687254	Defined_Bond_Stereo_Count	0
668620	TPSA	66.1
529212	Structure_Complexity	92.6
43935	Total_Formal_Charge	0
20583864	Defined_Atom_Stereo_Count	0
5284343	Mono_Isotopic_Weight	307.962121
24385	Isotope_Atom_Count	0
62964	TPSA	112
24906119	Exact_Mass	420.11774960
445319	Defined_Atom_Stereo_Count	0
48955	Hydrogen_Bond_Donor_Count	0
60196330	Total_Formal_Charge	0
5365811	Defined_Atom_Stereo_Count	0
659064	Structure_Complexity	331
140809	Non-hydrogen_Atom_Count	7
3032732	Hydrogen_Bond_Donor_Count	0
564654	Defined_Bond_Stereo_Count	0
5702251	Mono_Isotopic_Weight	234.0326684
11715166	Undefined_Atom_Stereo_Count	0
5385074	Molecular_Weight	416.4
16687076	Exact_Mass	110.109550447
1615208	Defined_Bond_Stereo_Count	0
5353431	Non-hydrogen_Atom_Count	14
192275	Defined_Bond_Stereo_Count	0
398116	Hydrogen_Bond_Donor_Count	0
71733	Mono_Isotopic_Weight	261.172878976
12936855	Isotope_Atom_Count	0
3724	Molecular_Weight	1550.2
15643399	Undefined_Bond_Stereo_Count	0
114681	Defined_Atom_Stereo_Count	0
11804674	Mono_Isotopic_Weight	82.041864811
3049771	Mono_Isotopic_Weight	169.085126602
11979535	Isotope_Atom_Count	0
6918188	Exact_Mass	733.15140
11241	Tautomer_Count	1
135491728	Isotope_Atom_Count	0
19884375	Defined_Atom_Stereo_Count	0
102089288	Total_Formal_Charge	0
12172743	XLogP3-AA	1.3
9830317	Defined_Atom_Stereo_Count	2
673664	XLogP3-AA	0.6
21798	Undefined_Atom_Stereo_Count	0
58158	Tautomer_Count	1
44631912	Defined_Atom_Stereo_Count	0
3034278	Defined_Bond_Stereo_Count	0
5814	Isotope_Atom_Count	0
23103366	Undefined_Bond_Stereo_Count	0
74484	Molecular_Weight	260.99
55352	Defined_Bond_Stereo_Count	0
7098662	Defined_Atom_Stereo_Count	10
123969717	Defined_Atom_Stereo_Count	0
46195832	XLogP3	0.4
2732	Structure_Complexity	564
1064	Non-hydrogen_Atom_Count	13
46490	Defined_Atom_Stereo_Count	0
4792	Undefined_Atom_Stereo_Count	8
197740	Structure_Complexity	284
5370611	Defined_Bond_Stereo_Count	1
85773920	Undefined_Atom_Stereo_Count	2
102362828	Non-hydrogen_Atom_Count	41
115763542	Undefined_Bond_Stereo_Count	0
19800669	Defined_Bond_Stereo_Count	0
3827	Isotope_Atom_Count	0
19966	Defined_Bond_Stereo_Count	0
9854073	XLogP3	2.7
11519069	Exact_Mass	507.17729
12298493	Exact_Mass	109.052763847
249502	Structure_Complexity	127
701083	Molecular_Weight	349.3
5311325	Molecular_Weight	102.975151
36422	Isotope_Atom_Count	0
12950123	Total_Formal_Charge	0
8157	Defined_Atom_Stereo_Count	0
11604	Mono_Isotopic_Weight	81.057849228
132471895	Isotope_Atom_Count	0
176595	TPSA	154
72131	Hydrogen_Bond_Acceptor_Count	4
17863	Covalent_Unit_Count	2
2760115	Tautomer_Count	1
607	Rotatable_Bond_Count	5
13618050	XLogP3-AA	0.5
13200	Exact_Mass	108.057514874
14109	XLogP3	5.5
543014	Total_Formal_Charge	0
5353853	XLogP3-AA	6.1
6708685	Defined_Atom_Stereo_Count	2
80788	Defined_Atom_Stereo_Count	0
88929423	Defined_Atom_Stereo_Count	0
64032	Total_Formal_Charge	0
45344	Exact_Mass	333.1262344
53846432	Total_Formal_Charge	0
17904650	Total_Formal_Charge	0
72221005	Hydrogen_Bond_Acceptor_Count	3
20095	Rotatable_Bond_Count	2
6837	Rotatable_Bond_Count	2
121098	Rotatable_Bond_Count	8
81056	Undefined_Bond_Stereo_Count	0
1426	Undefined_Atom_Stereo_Count	1
332	Defined_Atom_Stereo_Count	0
16217535	Hydrogen_Bond_Acceptor_Count	11
12768404	Defined_Bond_Stereo_Count	0
23519822	Rotatable_Bond_Count	6
78224604	Defined_Atom_Stereo_Count	2
10097082	XLogP3-AA	2.2
3525005	Non-hydrogen_Atom_Count	8
5497143	Defined_Atom_Stereo_Count	5
123133978	Defined_Atom_Stereo_Count	8
5354035	Undefined_Atom_Stereo_Count	1
90996	Molecular_Weight	328.9
659064	Undefined_Atom_Stereo_Count	1
68986	Hydrogen_Bond_Donor_Count	1
10243599	Defined_Bond_Stereo_Count	0
444493	Exact_Mass	809.12577494
17996772	Isotope_Atom_Count	0
85538176	Undefined_Atom_Stereo_Count	0
54686350	Molecular_Weight	241.28
7017747	Undefined_Bond_Stereo_Count	0
53425533	Covalent_Unit_Count	1
6410734	Non-hydrogen_Atom_Count	24
88398	Mono_Isotopic_Weight	87.104799419
135814155	Molecular_Weight	500.5
2730	Undefined_Bond_Stereo_Count	0
4354	Defined_Atom_Stereo_Count	0
644109	TPSA	389
54324318	Covalent_Unit_Count	1
5288598	Mono_Isotopic_Weight	238.09535693
81946	Structure_Complexity	268
117899707	Rotatable_Bond_Count	1
72571	TPSA	117
86472	Exact_Mass	472.39164552
2777982	Tautomer_Count	3
21490219	Non-hydrogen_Atom_Count	7
60196265	Undefined_Bond_Stereo_Count	0
129627802	XLogP3-AA	2.1
39912	Total_Formal_Charge	0
131428459	Rotatable_Bond_Count	1
59087	Structure_Complexity	455
59703148	Structure_Complexity	64.7
5361	Defined_Atom_Stereo_Count	0
45076013	Mono_Isotopic_Weight	116.04081944
59440	Defined_Atom_Stereo_Count	0
87712	Total_Formal_Charge	0
21357280	XLogP3-AA	1.9
101946434	Isotope_Atom_Count	0
118210179	Defined_Atom_Stereo_Count	0
704233	TPSA	69.6
9727	Hydrogen_Bond_Donor_Count	2
5357402	Isotope_Atom_Count	0
71340855	Defined_Bond_Stereo_Count	0
86063980	Hydrogen_Bond_Acceptor_Count	2
97991	Non-hydrogen_Atom_Count	13
219104	Hydrogen_Bond_Donor_Count	1
57394598	XLogP3-AA	4.4
14365987	Hydrogen_Bond_Donor_Count	0
146356470	Hydrogen_Bond_Donor_Count	1
869	Defined_Bond_Stereo_Count	0
24848191	Isotope_Atom_Count	0
11957515	Structure_Complexity	380
13619723	Hydrogen_Bond_Donor_Count	1
136307	Molecular_Weight	128.09
66582	Exact_Mass	173.047678466
53326689	XLogP3-AA	4.5
91175918	Total_Formal_Charge	0
66414	Defined_Bond_Stereo_Count	0
58180	Tautomer_Count	1
57077346	Isotope_Atom_Count	0
101526	Undefined_Atom_Stereo_Count	0
9947	Undefined_Atom_Stereo_Count	0
30541	TPSA	29.5
3605	Defined_Atom_Stereo_Count	0
68081	Mono_Isotopic_Weight	270.08920892
3713298	XLogP3	0.9
18626415	Structure_Complexity	63.1
162652	Molecular_Weight	173.13
21264915	Undefined_Bond_Stereo_Count	0
12754519	Isotope_Atom_Count	0
6432115	Hydrogen_Bond_Donor_Count	0
89119	Rotatable_Bond_Count	3
24825272	Defined_Bond_Stereo_Count	0
17779323	Non-hydrogen_Atom_Count	6
4329331	XLogP3-AA	4.7
119097490	Hydrogen_Bond_Acceptor_Count	2
5282452	Mono_Isotopic_Weight	421.16893641
72258	Rotatable_Bond_Count	1
47955	TPSA	40.5
13326679	Hydrogen_Bond_Donor_Count	1
20498	Undefined_Bond_Stereo_Count	0
11593	Isotope_Atom_Count	0
20590622	Rotatable_Bond_Count	0
2214	Hydrogen_Bond_Donor_Count	1
10111	Total_Formal_Charge	0
149208291	TPSA	21.9
13240724	TPSA	9.2
16212950	Rotatable_Bond_Count	47
38970	Isotope_Atom_Count	0
145454105	Exact_Mass	358.14884905
656321	Hydrogen_Bond_Donor_Count	1
104748	Structure_Complexity	24.8
285118	Undefined_Atom_Stereo_Count	0
9771	TPSA	38.7
445580	Covalent_Unit_Count	1
145278326	Defined_Atom_Stereo_Count	0
86821	Molecular_Weight	414.7
21354474	Total_Formal_Charge	0
54530824	Molecular_Weight	114.14
118701498	Hydrogen_Bond_Acceptor_Count	3
133268492	Defined_Atom_Stereo_Count	10
456255	Exact_Mass	462.07801004
5282517	Isotope_Atom_Count	0
9020	Non-hydrogen_Atom_Count	10
57916384	Isotope_Atom_Count	0
101417753	TPSA	43.4
3140	Isotope_Atom_Count	0
1006	Covalent_Unit_Count	1
16822	TPSA	49.7
142966	Molecular_Weight	68.07
181978	Covalent_Unit_Count	3
216287	Total_Formal_Charge	0
637146	Hydrogen_Bond_Donor_Count	0
14890212	Defined_Atom_Stereo_Count	0
25611	Hydrogen_Bond_Acceptor_Count	1
29215	Structure_Complexity	316
17424	Mono_Isotopic_Weight	276.00774492
42865	Structure_Complexity	280
12739608	Hydrogen_Bond_Donor_Count	0
12219458	Isotope_Atom_Count	9
3052776	Undefined_Bond_Stereo_Count	0
656838	Defined_Atom_Stereo_Count	0
60724	XLogP3-AA	2.6
10100	Defined_Bond_Stereo_Count	0
70516989	Non-hydrogen_Atom_Count	7
53323075	Structure_Complexity	838
85538176	Defined_Atom_Stereo_Count	0
441328	Rotatable_Bond_Count	4
3791919	Hydrogen_Bond_Acceptor_Count	2
64962	Defined_Bond_Stereo_Count	0
7048569	Undefined_Bond_Stereo_Count	0
57395978	Isotope_Atom_Count	0
33820	Rotatable_Bond_Count	14
23247721	XLogP3-AA	2.7
21749202	Mono_Isotopic_Weight	116.083729621
145971	Defined_Atom_Stereo_Count	0
3140	Hydrogen_Bond_Donor_Count	0
42512	Rotatable_Bond_Count	7
63650	Hydrogen_Bond_Acceptor_Count	4
12224	Non-hydrogen_Atom_Count	4
642801	Undefined_Bond_Stereo_Count	0
90016	Undefined_Bond_Stereo_Count	0
14202705	Non-hydrogen_Atom_Count	8
168707	Undefined_Atom_Stereo_Count	0
73272	Hydrogen_Bond_Donor_Count	2
32582	Hydrogen_Bond_Acceptor_Count	2
53484290	Non-hydrogen_Atom_Count	8
1310	Defined_Bond_Stereo_Count	0
26295	Structure_Complexity	175
12395209	Structure_Complexity	202
48783	XLogP3	1.6
18364059	Mono_Isotopic_Weight	86.036779430
6349	Mono_Isotopic_Weight	117.92685
83859	Structure_Complexity	503
5905	Undefined_Bond_Stereo_Count	0
57916384	Defined_Bond_Stereo_Count	0
135449328	Non-hydrogen_Atom_Count	31
176155	Exact_Mass	377.09981148
2321	Non-hydrogen_Atom_Count	42
18601660	Isotope_Atom_Count	0
18711391	Undefined_Bond_Stereo_Count	0
163427338	Mono_Isotopic_Weight	99.068413911
3796640	Mono_Isotopic_Weight	265.13274550
72704673	Defined_Atom_Stereo_Count	4
54038691	TPSA	20.2
81045	Rotatable_Bond_Count	13
665263	Rotatable_Bond_Count	5
3035914	Total_Formal_Charge	0
6077	Hydrogen_Bond_Donor_Count	0
13527	Defined_Bond_Stereo_Count	0
59281403	XLogP3-AA	2.9
19773393	Defined_Atom_Stereo_Count	0
12739608	XLogP3-AA	2.8
141010	Total_Formal_Charge	0
11260	Undefined_Atom_Stereo_Count	1
5288783	Non-hydrogen_Atom_Count	30
53850432	Undefined_Atom_Stereo_Count	0
14965861	Defined_Bond_Stereo_Count	0
669019	Structure_Complexity	255
726	Structure_Complexity	1530
5364448	Defined_Bond_Stereo_Count	1
81349	TPSA	32.5
72493	Structure_Complexity	1090
11993	Exact_Mass	237.90463
10384259	Undefined_Bond_Stereo_Count	0
11589453	Hydrogen_Bond_Acceptor_Count	5
14146878	Mono_Isotopic_Weight	113.084063974
6603820	TPSA	52.5
688137	Defined_Bond_Stereo_Count	0
71916	Hydrogen_Bond_Donor_Count	3
5763	Molecular_Weight	347.9
521076	Covalent_Unit_Count	1
112030	Undefined_Atom_Stereo_Count	1
101640759	Defined_Atom_Stereo_Count	0
31416	Defined_Bond_Stereo_Count	0
5362391	TPSA	71.8
3480138	Covalent_Unit_Count	1
28417	Tautomer_Count	1
46209194	TPSA	47.1
5321318	Covalent_Unit_Count	1
156580481	Covalent_Unit_Count	1
2771	Exact_Mass	324.16379146
69763756	Defined_Bond_Stereo_Count	0
81829	Covalent_Unit_Count	1
932	Molecular_Weight	272.25
23385871	Hydrogen_Bond_Acceptor_Count	1
25271810	Undefined_Atom_Stereo_Count	0
56935	Total_Formal_Charge	2
86098790	Non-hydrogen_Atom_Count	14
340	Covalent_Unit_Count	1
59055623	TPSA	0
53904133	Total_Formal_Charge	0
147707442	TPSA	190
39094	Mono_Isotopic_Weight	303.125928785
449517	Rotatable_Bond_Count	27
53678373	Undefined_Bond_Stereo_Count	0
220212	Non-hydrogen_Atom_Count	8
1010	Total_Formal_Charge	0
10678204	Hydrogen_Bond_Donor_Count	1
24180686	Structure_Complexity	420
45120331	Hydrogen_Bond_Acceptor_Count	1
30039	Exact_Mass	296.1291556
74710	Undefined_Bond_Stereo_Count	0
23716436	Undefined_Bond_Stereo_Count	0
14491	Molecular_Weight	150.3
122214038	Total_Formal_Charge	0
11957669	Exact_Mass	255.1389920
21872002	Undefined_Atom_Stereo_Count	0
5748152	Exact_Mass	324.183778013
71555	Total_Formal_Charge	0
382	Isotope_Atom_Count	0
124809080	Mono_Isotopic_Weight	527.23263824
6971017	Structure_Complexity	89.6
12264628	Exact_Mass	112.052429494
53956489	Covalent_Unit_Count	1
14436067	Molecular_Weight	103.12
7750121	TPSA	29.1
13218779	Total_Formal_Charge	0
78295	Exact_Mass	206.0134572
88483	Undefined_Bond_Stereo_Count	0
92043367	Structure_Complexity	151
15458	Structure_Complexity	119
45119915	Defined_Bond_Stereo_Count	0
59295946	Hydrogen_Bond_Donor_Count	5
61029	Defined_Bond_Stereo_Count	0
11539725	Isotope_Atom_Count	0
5279171	Undefined_Bond_Stereo_Count	0
86306373	Rotatable_Bond_Count	1
139079008	Defined_Bond_Stereo_Count	0
61349	Undefined_Bond_Stereo_Count	0
27756	Tautomer_Count	1
99080	Tautomer_Count	1
57016034	Covalent_Unit_Count	1
12302695	Isotope_Atom_Count	0
53924282	Hydrogen_Bond_Acceptor_Count	2
53359	Hydrogen_Bond_Donor_Count	1
115817	Non-hydrogen_Atom_Count	25
124933	Defined_Atom_Stereo_Count	6
447277	XLogP3-AA	4.4
154518370	Total_Formal_Charge	0
182137	Defined_Bond_Stereo_Count	0
446541	Defined_Bond_Stereo_Count	1
146158032	Isotope_Atom_Count	3
24360	Hydrogen_Bond_Acceptor_Count	5
77807	Defined_Bond_Stereo_Count	0
68416	Exact_Mass	285.99530
73707684	Defined_Atom_Stereo_Count	0
119098289	Defined_Bond_Stereo_Count	0
956	Rotatable_Bond_Count	25
11507	XLogP3-AA	3.7
146156212	Hydrogen_Bond_Acceptor_Count	7
9933475	Structure_Complexity	625
26430	Molecular_Weight	344.5
57401194	Undefined_Bond_Stereo_Count	0
6917871	Structure_Complexity	1100
16756754	XLogP3-AA	6.3
91558991	Mono_Isotopic_Weight	110.109550447
11063784	Hydrogen_Bond_Acceptor_Count	5
14818493	Total_Formal_Charge	0
7156899	Total_Formal_Charge	0
71242808	Total_Formal_Charge	0
9912381	Covalent_Unit_Count	1
135430996	Defined_Bond_Stereo_Count	0
2801745	Defined_Atom_Stereo_Count	0
64948	Defined_Atom_Stereo_Count	0
3890	Mono_Isotopic_Weight	432.28757437
73802	Hydrogen_Bond_Acceptor_Count	7
141168949	Hydrogen_Bond_Donor_Count	0
76054	Hydrogen_Bond_Donor_Count	1
6973664	Undefined_Bond_Stereo_Count	0
87187299	Non-hydrogen_Atom_Count	14
9502	Undefined_Bond_Stereo_Count	0
73700849	Undefined_Atom_Stereo_Count	0
129652927	TPSA	38.7
4196	Hydrogen_Bond_Donor_Count	1
585999	Non-hydrogen_Atom_Count	19
3015210	Hydrogen_Bond_Acceptor_Count	2
3129049	Undefined_Bond_Stereo_Count	0
4191617	Rotatable_Bond_Count	0
8376	Hydrogen_Bond_Donor_Count	0
180624	Defined_Bond_Stereo_Count	0
55299847	XLogP3-AA	0.5
13804	Exact_Mass	488.10733165
164513759	Hydrogen_Bond_Acceptor_Count	3
43082	TPSA	12.5
65746	Hydrogen_Bond_Acceptor_Count	2
12186	TPSA	20.2
1548943	Mono_Isotopic_Weight	305.19909372
54687420	Molecular_Weight	249.19
638021	TPSA	12
4306558	Defined_Atom_Stereo_Count	0
147364829	Undefined_Bond_Stereo_Count	0
15747657	Total_Formal_Charge	0
84759	Mono_Isotopic_Weight	145.063997236
101301	Structure_Complexity	503
80466	Covalent_Unit_Count	1
291730	Covalent_Unit_Count	1
86287524	Rotatable_Bond_Count	0
444972	Mono_Isotopic_Weight	116.01095860
10892	Hydrogen_Bond_Donor_Count	0
5460504	Undefined_Bond_Stereo_Count	0
447048	Hydrogen_Bond_Acceptor_Count	18
208832	Hydrogen_Bond_Acceptor_Count	3
489	Undefined_Atom_Stereo_Count	5
8107	TPSA	29.5
74944	Total_Formal_Charge	0
3084014	Covalent_Unit_Count	2
53494972	Rotatable_Bond_Count	3
2734164	Hydrogen_Bond_Donor_Count	0
5281069	Hydrogen_Bond_Donor_Count	2
85663349	Defined_Atom_Stereo_Count	0
5803	Hydrogen_Bond_Donor_Count	2
313196	Isotope_Atom_Count	0
76771601	Mono_Isotopic_Weight	114.104465066
6432238	Covalent_Unit_Count	1
23151396	Rotatable_Bond_Count	0
71575294	Isotope_Atom_Count	0
72327	Mono_Isotopic_Weight	260.08084968
93500	XLogP3	3.4
19159	Non-hydrogen_Atom_Count	21
10113430	Total_Formal_Charge	0
68634	Non-hydrogen_Atom_Count	25
25254	Non-hydrogen_Atom_Count	6
51935	Defined_Bond_Stereo_Count	0
36431	Molecular_Weight	422.0
20057076	Undefined_Atom_Stereo_Count	0
15129466	Non-hydrogen_Atom_Count	8
8817	Non-hydrogen_Atom_Count	9
11001318	Exact_Mass	306.9802985
3042	Undefined_Atom_Stereo_Count	0
18622368	Exact_Mass	113.058911855
24705318	Undefined_Atom_Stereo_Count	0
2752445	Hydrogen_Bond_Acceptor_Count	1
65970	TPSA	138
704328	Molecular_Weight	340.5
123619430	Total_Formal_Charge	0
23305495	Hydrogen_Bond_Donor_Count	7
5410	Exact_Mass	344.23514488
89159	Covalent_Unit_Count	1
11285	Rotatable_Bond_Count	1
20644600	Structure_Complexity	48.1
5280448	Structure_Complexity	432
17506	Undefined_Atom_Stereo_Count	0
10887985	Mono_Isotopic_Weight	138.140850574
225936	TPSA	40.5
11225217	Total_Formal_Charge	0
71457147	Hydrogen_Bond_Donor_Count	1
537148	Hydrogen_Bond_Donor_Count	0
22220875	Undefined_Atom_Stereo_Count	0
5909	Rotatable_Bond_Count	3
17755052	Non-hydrogen_Atom_Count	35
20441	Undefined_Atom_Stereo_Count	0
10920474	Hydrogen_Bond_Donor_Count	1
62328	Defined_Atom_Stereo_Count	0
158800	Covalent_Unit_Count	1
21835032	Hydrogen_Bond_Acceptor_Count	1
12672	XLogP3-AA	2
56982924	Molecular_Weight	117.10
145994360	Covalent_Unit_Count	1
448812	Non-hydrogen_Atom_Count	57
46930997	Mono_Isotopic_Weight	317.152812238
9964081	Molecular_Weight	116.11
88771	Hydrogen_Bond_Donor_Count	0
22023476	XLogP3-AA	0.6
89875063	Non-hydrogen_Atom_Count	8
53477778	Structure_Complexity	847
89785	Hydrogen_Bond_Donor_Count	2
10466809	Mono_Isotopic_Weight	240.11234441
66587385	Total_Formal_Charge	0
139771583	Structure_Complexity	118
294864	Rotatable_Bond_Count	1
60150204	Undefined_Bond_Stereo_Count	0
4752	Undefined_Bond_Stereo_Count	0
7065	Hydrogen_Bond_Acceptor_Count	3
11616111	Mono_Isotopic_Weight	278.0128057
65484	Isotope_Atom_Count	0
8271	Rotatable_Bond_Count	2
121493082	Structure_Complexity	18900
18459757	Undefined_Bond_Stereo_Count	0
60196407	Rotatable_Bond_Count	13
83146	Hydrogen_Bond_Acceptor_Count	2
165906267	Hydrogen_Bond_Donor_Count	2
159747	Structure_Complexity	50.4
10219373	Covalent_Unit_Count	1
9568069	Undefined_Bond_Stereo_Count	0
71482	Hydrogen_Bond_Acceptor_Count	7
14563	XLogP3-AA	3.4
7018	XLogP3	3.7
102614	TPSA	64.2
70684819	Hydrogen_Bond_Acceptor_Count	5
15580	Undefined_Bond_Stereo_Count	0
10855407	TPSA	20.3
10986159	Exact_Mass	97.052763847
20082	Exact_Mass	112.125200510
9327	Non-hydrogen_Atom_Count	46
445	TPSA	32.3
44395151	Undefined_Bond_Stereo_Count	0
60078648	TPSA	110
13643838	Non-hydrogen_Atom_Count	8
107294	Exact_Mass	116.047344113
4184	Exact_Mass	264.162648646
18178	Hydrogen_Bond_Acceptor_Count	0
47576	XLogP3	4.3
677	Structure_Complexity	118
6918026	Total_Formal_Charge	0
158524	XLogP3-AA	6
5460337	Defined_Bond_Stereo_Count	0
20136721	Undefined_Bond_Stereo_Count	0
23103366	Defined_Atom_Stereo_Count	0
72849	Non-hydrogen_Atom_Count	19
439423	Isotope_Atom_Count	0
5351247	Molecular_Weight	492.1
138496	Non-hydrogen_Atom_Count	8
153816117	Mono_Isotopic_Weight	113.047678466
510	Rotatable_Bond_Count	0
21699428	Hydrogen_Bond_Donor_Count	1
18641	Hydrogen_Bond_Acceptor_Count	4
637921	Total_Formal_Charge	0
54675768	Covalent_Unit_Count	1
70690634	TPSA	108
11550045	Undefined_Atom_Stereo_Count	1
31401	Isotope_Atom_Count	0
5282549	Total_Formal_Charge	0
890718	Total_Formal_Charge	0
5288799	Covalent_Unit_Count	1
92965	Isotope_Atom_Count	0
58044734	Covalent_Unit_Count	1
6419719	Mono_Isotopic_Weight	101.011292958
20093425	Total_Formal_Charge	0
25256833	Mono_Isotopic_Weight	275.18584370
34591	Tautomer_Count	2
46199646	Molecular_Weight	520.5
9803119	Undefined_Bond_Stereo_Count	0
131674917	Undefined_Bond_Stereo_Count	0
83756	Structure_Complexity	89.6
15385	Molecular_Weight	163.02
5195	Isotope_Atom_Count	0
10638446	Hydrogen_Bond_Donor_Count	0
12594	Covalent_Unit_Count	1
90019226	Structure_Complexity	47
92386	Exact_Mass	248.14124450
10434211	Covalent_Unit_Count	1
6051	Hydrogen_Bond_Donor_Count	1
65902	XLogP3-AA	3.4
3476986	Hydrogen_Bond_Donor_Count	1
23567795	Covalent_Unit_Count	1
153442	Hydrogen_Bond_Donor_Count	1
11979704	Non-hydrogen_Atom_Count	77
10384666	Hydrogen_Bond_Acceptor_Count	4
13898	XLogP3-AA	2.7
15301081	Undefined_Bond_Stereo_Count	0
54025583	Undefined_Atom_Stereo_Count	1
21666609	Mono_Isotopic_Weight	99.068413911
71309208	TPSA	0
13225428	Undefined_Atom_Stereo_Count	1
162172	Non-hydrogen_Atom_Count	20
133562458	Undefined_Atom_Stereo_Count	1
69501250	Defined_Bond_Stereo_Count	0
489349	Isotope_Atom_Count	0
6332110	Hydrogen_Bond_Donor_Count	0
54071	Mono_Isotopic_Weight	244.0978555
5284604	TPSA	70
38035	Exact_Mass	255.961333
20314	Hydrogen_Bond_Acceptor_Count	3
5378825	Hydrogen_Bond_Donor_Count	1
5324278	Molecular_Weight	87.12
138961	XLogP3-AA	1.1
12066842	Molecular_Weight	98.15
87831585	Structure_Complexity	101
70682212	Hydrogen_Bond_Donor_Count	1
6972	Hydrogen_Bond_Acceptor_Count	3
9604	Hydrogen_Bond_Donor_Count	0
123809941	Rotatable_Bond_Count	0
6708733	Structure_Complexity	1050
56842239	Covalent_Unit_Count	3
2123	Non-hydrogen_Atom_Count	15
15995	Non-hydrogen_Atom_Count	16
68294	Defined_Bond_Stereo_Count	0
6909	Defined_Bond_Stereo_Count	0
54453800	Non-hydrogen_Atom_Count	8
92850	Hydrogen_Bond_Donor_Count	0
41912	Defined_Bond_Stereo_Count	0
12015095	Isotope_Atom_Count	0
12865	Hydrogen_Bond_Acceptor_Count	2
321054	Molecular_Weight	486.5
57148	Molecular_Weight	269.25
46244259	Structure_Complexity	717
9854489	Mono_Isotopic_Weight	538.16369430
2724629	Exact_Mass	353.16270821
62512	XLogP3-AA	9.7
4528	Rotatable_Bond_Count	1
87114	Non-hydrogen_Atom_Count	17
90016	Undefined_Atom_Stereo_Count	0
132278564	Mono_Isotopic_Weight	276.03336507
854150	Defined_Bond_Stereo_Count	0
101616201	Covalent_Unit_Count	1
61012	Hydrogen_Bond_Donor_Count	0
44531955	Non-hydrogen_Atom_Count	42
9793705	XLogP3-AA	0.5
53879576	Mono_Isotopic_Weight	101.084063974
5284369	Mono_Isotopic_Weight	253.110278721
134694052	Hydrogen_Bond_Donor_Count	2
36131	Hydrogen_Bond_Acceptor_Count	2
21867279	Non-hydrogen_Atom_Count	3
72862	Covalent_Unit_Count	1
7654	Covalent_Unit_Count	1
418940	Undefined_Atom_Stereo_Count	1
158150	Tautomer_Count	1
694743	Undefined_Bond_Stereo_Count	0
23664294	Structure_Complexity	290
53484514	Defined_Atom_Stereo_Count	0
59149828	Isotope_Atom_Count	0
6515	Undefined_Atom_Stereo_Count	0
693315	Defined_Atom_Stereo_Count	0
33657234	Isotope_Atom_Count	0
9940864	Hydrogen_Bond_Acceptor_Count	17
52344	Defined_Atom_Stereo_Count	0
89578803	Total_Formal_Charge	0
5284530	TPSA	225
17027464	Structure_Complexity	675
44556162	TPSA	126
156693	Undefined_Atom_Stereo_Count	0
20531373	Structure_Complexity	72.9
12648201	TPSA	40.5
77191	Covalent_Unit_Count	1
90818	Isotope_Atom_Count	0
5284451	Exact_Mass	401.19507097
6775	Isotope_Atom_Count	0
31762	Total_Formal_Charge	0
24853	Defined_Atom_Stereo_Count	0
134826475	Isotope_Atom_Count	0
233707	XLogP3-AA	0.8
20320770	Structure_Complexity	92.6
6918155	Covalent_Unit_Count	1
25007799	Exact_Mass	411.16166284
40463608	Molecular_Weight	115.13
6436031	Undefined_Bond_Stereo_Count	0
14846	Undefined_Bond_Stereo_Count	0
6433198	Molecular_Weight	830.3
7683	Structure_Complexity	141
75634	Isotope_Atom_Count	0
136307	Rotatable_Bond_Count	2
10240761	Defined_Bond_Stereo_Count	0
20392754	Covalent_Unit_Count	1
54043984	Mono_Isotopic_Weight	202.078250319
8402	Exact_Mass	232.06703418
148201	Total_Formal_Charge	0
34452	Covalent_Unit_Count	1
156422	Hydrogen_Bond_Donor_Count	2
94292	Hydrogen_Bond_Donor_Count	1
159563	Exact_Mass	392.15968852
68057	Non-hydrogen_Atom_Count	13
122685	Hydrogen_Bond_Acceptor_Count	12
10186986	Rotatable_Bond_Count	12
3648	Undefined_Atom_Stereo_Count	4
141329202	Rotatable_Bond_Count	0
14116454	Hydrogen_Bond_Acceptor_Count	2
21618	Covalent_Unit_Count	1
10923804	Mono_Isotopic_Weight	275.11912932
12500872	Molecular_Weight	100.16
64017	TPSA	112
439839	Exact_Mass	100.088815002
13576	XLogP3	3.6
75496	Rotatable_Bond_Count	4
4008	XLogP3	5.6
54687131	Mono_Isotopic_Weight	602.25879342
63952	Tautomer_Count	6
5330790	Mono_Isotopic_Weight	394.06596576
447213	Exact_Mass	151.099714038
156212	Undefined_Bond_Stereo_Count	0
4906599	Undefined_Bond_Stereo_Count	0
53689385	Hydrogen_Bond_Donor_Count	0
18769664	Undefined_Bond_Stereo_Count	0
93577	Undefined_Bond_Stereo_Count	0
10914	Non-hydrogen_Atom_Count	12
135539121	Undefined_Atom_Stereo_Count	0
34757	Total_Formal_Charge	0
88077632	Hydrogen_Bond_Acceptor_Count	1
7857	Mono_Isotopic_Weight	57.021463719
75358112	Total_Formal_Charge	0
70240	Hydrogen_Bond_Acceptor_Count	5
12803	Tautomer_Count	1
146868632	Hydrogen_Bond_Acceptor_Count	2
23519852	Exact_Mass	366.06204624
150	Exact_Mass	229.03513872
53315588	Covalent_Unit_Count	1
664136	Defined_Bond_Stereo_Count	0
473148	Total_Formal_Charge	0
1246	Hydrogen_Bond_Donor_Count	1
60196331	Exact_Mass	309.01312
11126225	Hydrogen_Bond_Acceptor_Count	2
7980	Covalent_Unit_Count	1
54373	Undefined_Atom_Stereo_Count	8
124202844	Exact_Mass	479.09438454
10313102	XLogP3-AA	0.3
13939	Structure_Complexity	87
221881	Isotope_Atom_Count	0
68986	Non-hydrogen_Atom_Count	6
57493771	Structure_Complexity	275
96273	Non-hydrogen_Atom_Count	9
65815658	Undefined_Atom_Stereo_Count	1
12352	Defined_Bond_Stereo_Count	0
6124212	Undefined_Atom_Stereo_Count	4
87962	Non-hydrogen_Atom_Count	15
57284788	Hydrogen_Bond_Acceptor_Count	2
11480420	Mono_Isotopic_Weight	112.063662883
20632752	Rotatable_Bond_Count	4
78596	Isotope_Atom_Count	0
154982320	Hydrogen_Bond_Donor_Count	0
441476	Molecular_Weight	194.14
22833307	Undefined_Atom_Stereo_Count	0
17414	Structure_Complexity	415
54676860	Covalent_Unit_Count	1
84647603	Isotope_Atom_Count	0
124298532	Structure_Complexity	382
136510	Non-hydrogen_Atom_Count	8
15741634	Exact_Mass	101.120449483
12519786	Structure_Complexity	127
17351	Structure_Complexity	246
17074527	Hydrogen_Bond_Donor_Count	1
10630446	Molecular_Weight	100.12
2779183	Non-hydrogen_Atom_Count	11
5136276	Defined_Atom_Stereo_Count	0
9546757	Hydrogen_Bond_Acceptor_Count	9
9845622	Mono_Isotopic_Weight	431.15801676
76968505	Non-hydrogen_Atom_Count	23
135515574	Defined_Atom_Stereo_Count	0
137699572	Total_Formal_Charge	0
16083167	Exact_Mass	338.99670
7768	Total_Formal_Charge	0
5463411	Total_Formal_Charge	0
3843	Mono_Isotopic_Weight	495.17942091
97832	Molecular_Weight	100.12
688015	Non-hydrogen_Atom_Count	17
92131818	Hydrogen_Bond_Donor_Count	1
13413379	Undefined_Bond_Stereo_Count	0
12674607	Molecular_Weight	85.15
5498	Defined_Atom_Stereo_Count	0
19078029	Structure_Complexity	119
66536	Structure_Complexity	516
14017587	Rotatable_Bond_Count	9
18622348	Undefined_Atom_Stereo_Count	0
146808246	TPSA	21.9
90127780	TPSA	9.2
9160	Exact_Mass	267.104799419
85960	Undefined_Bond_Stereo_Count	0
10949	Molecular_Weight	125.13
33184	Undefined_Atom_Stereo_Count	0
78596	Defined_Bond_Stereo_Count	0
3913	Defined_Atom_Stereo_Count	0
69488	Defined_Atom_Stereo_Count	0
3879	Undefined_Atom_Stereo_Count	26
95169	TPSA	40.2
53384934	Mono_Isotopic_Weight	665.30474055
11815284	TPSA	21.3
20067437	Defined_Bond_Stereo_Count	0
5808	Hydrogen_Bond_Acceptor_Count	4
5460504	Undefined_Atom_Stereo_Count	0
23716436	Defined_Atom_Stereo_Count	0
10415	Rotatable_Bond_Count	5
55284379	Total_Formal_Charge	0
66137	TPSA	0
46916	Molecular_Weight	270.35
98685	Exact_Mass	240.126263138
54080009	Defined_Bond_Stereo_Count	0
69102	Non-hydrogen_Atom_Count	12
71544786	Total_Formal_Charge	0
74944	Hydrogen_Bond_Donor_Count	0
1182	Isotope_Atom_Count	0
69391	Defined_Bond_Stereo_Count	0
122449120	Rotatable_Bond_Count	0
72999858	Hydrogen_Bond_Acceptor_Count	5
90997437	Structure_Complexity	688
168447	Tautomer_Count	1
5281116	Molecular_Weight	338.6
36307	Molecular_Weight	273.31
9795	Isotope_Atom_Count	0
13438401	Covalent_Unit_Count	1
5365125	XLogP3-AA	6.5
92761	TPSA	51.2
9551858	Hydrogen_Bond_Donor_Count	2
656557	TPSA	236
3032536	Mono_Isotopic_Weight	128.870899
23616669	TPSA	72
59047	Tautomer_Count	1
21359	Tautomer_Count	1
518964	Hydrogen_Bond_Donor_Count	0
56840904	Mono_Isotopic_Weight	639.95350
14990169	Defined_Bond_Stereo_Count	0
521962	XLogP3-AA	3.2
1560	Defined_Atom_Stereo_Count	0
138442	Defined_Bond_Stereo_Count	0
16667503	Isotope_Atom_Count	0
254129	Rotatable_Bond_Count	2
11954009	Tautomer_Count	105
4385787	Hydrogen_Bond_Acceptor_Count	6
71586806	Hydrogen_Bond_Acceptor_Count	2
46782362	Tautomer_Count	1
11457683	TPSA	26.3
11126189	Exact_Mass	100.052429494
11789150	Exact_Mass	109.052763847
4816	Covalent_Unit_Count	1
68681268	Mono_Isotopic_Weight	432.12338320
6602154	Structure_Complexity	457
279451	Defined_Bond_Stereo_Count	0
9821941	Hydrogen_Bond_Acceptor_Count	5
62827	Mono_Isotopic_Weight	495.3874489
9411	Covalent_Unit_Count	1
13602	Defined_Atom_Stereo_Count	0
165141	Exact_Mass	73.052763847
10044	Covalent_Unit_Count	1
130666299	Defined_Atom_Stereo_Count	0
709156	Hydrogen_Bond_Donor_Count	0
101219	Hydrogen_Bond_Acceptor_Count	2
56606917	XLogP3-AA	1.9
51003564	Molecular_Weight	256.30
20614524	Hydrogen_Bond_Acceptor_Count	2
59434	TPSA	46.5
95292	Isotope_Atom_Count	0
10618	Defined_Bond_Stereo_Count	0
4020	Rotatable_Bond_Count	1
6918670	Structure_Complexity	926
165558	Hydrogen_Bond_Acceptor_Count	12
63333521	Defined_Bond_Stereo_Count	0
398641	XLogP3-AA	2.2
18954	Molecular_Weight	243.22
52947518	Undefined_Atom_Stereo_Count	0
21145	Structure_Complexity	257
36250	Tautomer_Count	1
12350	XLogP3-AA	3
134715447	Rotatable_Bond_Count	15
75881	Rotatable_Bond_Count	6
11116543	Non-hydrogen_Atom_Count	12
66558858	Rotatable_Bond_Count	3
57473011	XLogP3-AA	3.4
67511	Hydrogen_Bond_Donor_Count	0
1397	TPSA	72.8
35459	Non-hydrogen_Atom_Count	12
88520001	Exact_Mass	422.36670574
560256	Defined_Bond_Stereo_Count	0
5324560	Defined_Atom_Stereo_Count	0
6995013	Non-hydrogen_Atom_Count	11
46878363	Hydrogen_Bond_Donor_Count	4
167297	Molecular_Weight	660.7
373077	Isotope_Atom_Count	0
84361	Exact_Mass	308.11160159
134812477	Hydrogen_Bond_Donor_Count	4
2381	Defined_Atom_Stereo_Count	0
31072	Undefined_Bond_Stereo_Count	0
56777521	Total_Formal_Charge	0
178080	Defined_Bond_Stereo_Count	0
122174240	Hydrogen_Bond_Donor_Count	2
6538	Structure_Complexity	255
42078	Defined_Bond_Stereo_Count	0
43371	Total_Formal_Charge	0
12477	XLogP3	2.1
2777165	XLogP3-AA	0.5
2574	Exact_Mass	182.11676108
53869568	Isotope_Atom_Count	0
40308	Defined_Bond_Stereo_Count	0
84421	Covalent_Unit_Count	1
47640	Defined_Atom_Stereo_Count	0
41889	Isotope_Atom_Count	0
23695767	Total_Formal_Charge	0
6427079	Undefined_Bond_Stereo_Count	0
14298876	Exact_Mass	86.084398327
54173839	Mono_Isotopic_Weight	94.078250319
69845	Molecular_Weight	151.19
15395	Undefined_Atom_Stereo_Count	0
15250	Hydrogen_Bond_Acceptor_Count	2
10034577	Isotope_Atom_Count	0
68928	Undefined_Atom_Stereo_Count	1
60999	Defined_Bond_Stereo_Count	0
91739	Tautomer_Count	1
18126	Non-hydrogen_Atom_Count	9
3972	TPSA	54.7
223441	Hydrogen_Bond_Donor_Count	1
5365327	Hydrogen_Bond_Acceptor_Count	2
6099081	Hydrogen_Bond_Donor_Count	0
11967617	Defined_Bond_Stereo_Count	0
114506	Non-hydrogen_Atom_Count	21
144369145	Hydrogen_Bond_Acceptor_Count	2
129010061	Exact_Mass	560.27338086
67113727	Rotatable_Bond_Count	2
136870	Hydrogen_Bond_Acceptor_Count	0
6432238	Exact_Mass	49.99680632
14453685	Hydrogen_Bond_Acceptor_Count	1
151592	Defined_Atom_Stereo_Count	0
7951	Tautomer_Count	1
26929	Hydrogen_Bond_Donor_Count	1
21908476	Hydrogen_Bond_Donor_Count	1
53684795	Defined_Bond_Stereo_Count	0
60810	Exact_Mass	475.20936192
19908673	Undefined_Bond_Stereo_Count	0
71713948	Hydrogen_Bond_Donor_Count	2
643976	Exact_Mass	456.10461526
5384293	Defined_Atom_Stereo_Count	0
738	Non-hydrogen_Atom_Count	10
90779122	Non-hydrogen_Atom_Count	7
688371	Mono_Isotopic_Weight	241.09502258
49865859	Hydrogen_Bond_Donor_Count	2
9816483	XLogP3-AA	3
25133978	Isotope_Atom_Count	0
89953	TPSA	55.1
9247	Undefined_Bond_Stereo_Count	0
84020522	XLogP3-AA	0.6
82717	Non-hydrogen_Atom_Count	22
84081492	Exact_Mass	114.104465066
90973	Molecular_Weight	328.9
135554441	Rotatable_Bond_Count	6
11344362	Covalent_Unit_Count	1
72683639	Isotope_Atom_Count	0
11842633	Defined_Atom_Stereo_Count	3
751826	Rotatable_Bond_Count	2
9164	Hydrogen_Bond_Acceptor_Count	0
69852	Non-hydrogen_Atom_Count	10
6419719	Defined_Atom_Stereo_Count	0
23725056	Molecular_Weight	761.8
520326	Hydrogen_Bond_Acceptor_Count	2
8164	Hydrogen_Bond_Donor_Count	0
78228	Defined_Atom_Stereo_Count	0
23783	Defined_Bond_Stereo_Count	0
60196330	Non-hydrogen_Atom_Count	13
67711	Hydrogen_Bond_Acceptor_Count	2
29878	Molecular_Weight	183.23
15942890	Undefined_Bond_Stereo_Count	0
81882	Covalent_Unit_Count	1
9796590	Molecular_Weight	307.3
1548886	Undefined_Bond_Stereo_Count	0
659009	Undefined_Bond_Stereo_Count	0
9090	Molecular_Weight	160.3
88069	Hydrogen_Bond_Acceptor_Count	3
95566291	XLogP3-AA	5.1
7826	Mono_Isotopic_Weight	144.115029749
49852363	Structure_Complexity	260
403821	Hydrogen_Bond_Acceptor_Count	8
29420	Undefined_Bond_Stereo_Count	0
22224184	Defined_Atom_Stereo_Count	0
69004	Hydrogen_Bond_Donor_Count	0
52918384	XLogP3-AA	2
20735704	Total_Formal_Charge	0
2653	Undefined_Atom_Stereo_Count	2
78073889	Non-hydrogen_Atom_Count	88
10042953	Total_Formal_Charge	0
51039095	Rotatable_Bond_Count	8
9831783	Covalent_Unit_Count	3
8110	Undefined_Bond_Stereo_Count	0
102148036	Exact_Mass	338.16304257
12315192	Covalent_Unit_Count	1
57396213	Hydrogen_Bond_Donor_Count	2
978766	Defined_Bond_Stereo_Count	0
557171	Total_Formal_Charge	0
53728104	Undefined_Bond_Stereo_Count	0
49427	Defined_Bond_Stereo_Count	0
151896	Rotatable_Bond_Count	6
96780	Tautomer_Count	1
42000	Non-hydrogen_Atom_Count	18
57406717	Hydrogen_Bond_Acceptor_Count	5
7566942	Structure_Complexity	382
5282367	Undefined_Atom_Stereo_Count	0
15558407	Hydrogen_Bond_Donor_Count	5
157464	Total_Formal_Charge	0
294864	Hydrogen_Bond_Acceptor_Count	3
5378708	Non-hydrogen_Atom_Count	42
37463	Structure_Complexity	84.4
10396821	Exact_Mass	116.047344113
8340	TPSA	41.8
44563145	Molecular_Weight	382.4
13192443	Hydrogen_Bond_Acceptor_Count	2
71970	Covalent_Unit_Count	1
227	Structure_Complexity	136
20972	Defined_Atom_Stereo_Count	0
398658	Hydrogen_Bond_Donor_Count	1
91395	Exact_Mass	555.12596855
1061	Covalent_Unit_Count	1
5280724	Defined_Bond_Stereo_Count	4
77080	Covalent_Unit_Count	1
441245	Total_Formal_Charge	0
11398	Exact_Mass	135.104799419
11602	Molecular_Weight	82.14
69333796	Isotope_Atom_Count	0
139134	Isotope_Atom_Count	0
58501	Total_Formal_Charge	0
12766	Hydrogen_Bond_Donor_Count	1
348256	Isotope_Atom_Count	0
6700	Tautomer_Count	5
45806	Total_Formal_Charge	2
135398569	Defined_Atom_Stereo_Count	4
5107	Non-hydrogen_Atom_Count	34
251219	Exact_Mass	226.15689456
10157484	Mono_Isotopic_Weight	394.22564282
2568	Defined_Atom_Stereo_Count	0
23724965	Tautomer_Count	2
4431756	Hydrogen_Bond_Acceptor_Count	3
10582477	Defined_Atom_Stereo_Count	0
31842	Rotatable_Bond_Count	5
5242420	Undefined_Bond_Stereo_Count	0
97736	Tautomer_Count	3
28346	Structure_Complexity	432
7098663	Non-hydrogen_Atom_Count	12
44407558	Exact_Mass	289.04558772
13877	Defined_Bond_Stereo_Count	0
91932	Rotatable_Bond_Count	3
38019	Mono_Isotopic_Weight	357.844416
14691612	Total_Formal_Charge	0
9366	Undefined_Bond_Stereo_Count	0
85708088	XLogP3-AA	3.2
92023654	Molecular_Weight	665.7
71680844	XLogP3-AA	2.7
12201383	Exact_Mass	107.048347172
11869222	Rotatable_Bond_Count	3
58095461	Exact_Mass	99.104799419
2570	Rotatable_Bond_Count	2
643964	Total_Formal_Charge	0
81902	Exact_Mass	184.0654927
64966	Undefined_Bond_Stereo_Count	0
219020	Mono_Isotopic_Weight	421.27292737
219025	Structure_Complexity	800
10937607	Molecular_Weight	108.18
23235	XLogP3	4.9
71117	Undefined_Atom_Stereo_Count	0
16211986	Rotatable_Bond_Count	1
2844	Hydrogen_Bond_Donor_Count	5
83735	Hydrogen_Bond_Donor_Count	2
21701560	Mono_Isotopic_Weight	331.0723690
44468216	Rotatable_Bond_Count	2
11647679	Hydrogen_Bond_Acceptor_Count	3
52654	Non-hydrogen_Atom_Count	18
123133886	Undefined_Atom_Stereo_Count	1
57401151	Total_Formal_Charge	0
91256663	Exact_Mass	108.057514874
129692694	Molecular_Weight	110.15
9460	Undefined_Bond_Stereo_Count	0
4212	Mono_Isotopic_Weight	444.20088463
130124973	Rotatable_Bond_Count	3
125347	Mono_Isotopic_Weight	372.15460314
1479479	Hydrogen_Bond_Donor_Count	0
66354	Mono_Isotopic_Weight	83.048347172
15174357	Molecular_Weight	114.19
188914	Structure_Complexity	212
54521625	Hydrogen_Bond_Donor_Count	1
44560772	XLogP3-AA	1.5
93019	XLogP3-AA	1.3
88334	Total_Formal_Charge	0
316724	Molecular_Weight	240.30
639095	Non-hydrogen_Atom_Count	7
11379	Isotope_Atom_Count	0
5350	Hydrogen_Bond_Donor_Count	0
45830	Covalent_Unit_Count	1
123928307	Total_Formal_Charge	0
2734040	Hydrogen_Bond_Acceptor_Count	2
291529	Non-hydrogen_Atom_Count	17
232443	Structure_Complexity	355
146675212	Mono_Isotopic_Weight	1221.14784090
14195455	XLogP3-AA	0.3
14671581	Non-hydrogen_Atom_Count	8
2734171	Rotatable_Bond_Count	3
179342	Hydrogen_Bond_Donor_Count	0
53903157	Molecular_Weight	42.040
24737642	Hydrogen_Bond_Acceptor_Count	7
66117	Mono_Isotopic_Weight	174.11167570
784	Mono_Isotopic_Weight	34.005479302
55289794	Defined_Bond_Stereo_Count	0
18383	Undefined_Bond_Stereo_Count	0
3568	Isotope_Atom_Count	0
720637	Undefined_Atom_Stereo_Count	0
10989	Total_Formal_Charge	0
12233	Structure_Complexity	42.6
7499	Total_Formal_Charge	0
86049	Structure_Complexity	30.7
611834	Non-hydrogen_Atom_Count	25
3857	Covalent_Unit_Count	1
3015009	Covalent_Unit_Count	1
12902	Hydrogen_Bond_Acceptor_Count	1
24766296	Mono_Isotopic_Weight	686.30507491
439196	Exact_Mass	154.01222190
25457	Hydrogen_Bond_Acceptor_Count	3
58638	Non-hydrogen_Atom_Count	20
16069302	XLogP3-AA	4.2
44531649	Hydrogen_Bond_Acceptor_Count	4
10895019	Defined_Bond_Stereo_Count	2
3489	Hydrogen_Bond_Acceptor_Count	6
7026090	Isotope_Atom_Count	0
123690360	Total_Formal_Charge	0
83822	Rotatable_Bond_Count	10
14184222	Rotatable_Bond_Count	2
9953	Hydrogen_Bond_Donor_Count	2
6331	Exact_Mass	14.0327803
8216	Hydrogen_Bond_Acceptor_Count	2
22021903	TPSA	38.7
40473189	Defined_Bond_Stereo_Count	1
137512	Total_Formal_Charge	0
52918019	Structure_Complexity	367
16073666	Molecular_Weight	650.8
21791020	Non-hydrogen_Atom_Count	8
21867154	Total_Formal_Charge	0
2794575	Total_Formal_Charge	0
2993	Isotope_Atom_Count	0
9460	Exact_Mass	225.126597491
3724921	Rotatable_Bond_Count	3
13356643	Defined_Bond_Stereo_Count	0
138107778	TPSA	279
3780	Defined_Atom_Stereo_Count	0
51003592	Undefined_Bond_Stereo_Count	0
9953590	TPSA	82.2
54569511	Undefined_Atom_Stereo_Count	1
410099	Defined_Bond_Stereo_Count	0
83335	XLogP3	3.2
6437827	Non-hydrogen_Atom_Count	24
42227	Mono_Isotopic_Weight	469.29405673
26903	Covalent_Unit_Count	1
6993809	Undefined_Atom_Stereo_Count	0
8418	Undefined_Bond_Stereo_Count	0
57397810	Undefined_Bond_Stereo_Count	0
107217	Undefined_Bond_Stereo_Count	0
659009	Defined_Atom_Stereo_Count	0
138694	Undefined_Bond_Stereo_Count	0
90657410	Molecular_Weight	620.7
76084	Defined_Atom_Stereo_Count	0
173730	Molecular_Weight	115.05
76487	Undefined_Atom_Stereo_Count	0
24181476	Exact_Mass	220.89796
135550179	Undefined_Atom_Stereo_Count	0
4989215	TPSA	14.1
45120378	Mono_Isotopic_Weight	111.068413911
2691	Rotatable_Bond_Count	10
59154995	Structure_Complexity	107
6291886	Exact_Mass	269.0407907
78201192	Hydrogen_Bond_Acceptor_Count	2
69807449	Mono_Isotopic_Weight	110.084398327
57825223	Mono_Isotopic_Weight	345.147726857
4350	Defined_Bond_Stereo_Count	0
159609	Hydrogen_Bond_Acceptor_Count	1
66704605	Defined_Bond_Stereo_Count	0
24978601	Molecular_Weight	624.6
4914	TPSA	55.6
7133	TPSA	3.9
5359371	Covalent_Unit_Count	1
54111	TPSA	38.8
10678204	Non-hydrogen_Atom_Count	8
10127622	Covalent_Unit_Count	1
3746	Total_Formal_Charge	1
86384	Covalent_Unit_Count	3
91525	Structure_Complexity	1140
135608329	Isotope_Atom_Count	0
4659570	Mono_Isotopic_Weight	277.191603044
7259	Rotatable_Bond_Count	0
57553	Mono_Isotopic_Weight	258.0326684
73170	Rotatable_Bond_Count	0
2763054	Total_Formal_Charge	0
15690647	Isotope_Atom_Count	0
259992	Isotope_Atom_Count	0
60150535	Exact_Mass	378.16919058
20974	Isotope_Atom_Count	0
59277791	Hydrogen_Bond_Acceptor_Count	2
95400	Molecular_Weight	186.29
92421	Rotatable_Bond_Count	4
23436	Exact_Mass	204.0341926
91526	Non-hydrogen_Atom_Count	10
63141	Hydrogen_Bond_Donor_Count	0
68589	Molecular_Weight	444.7
444885	Structure_Complexity	403
20502	TPSA	46.7
18798586	Rotatable_Bond_Count	2
14359580	Hydrogen_Bond_Donor_Count	0
307976	Defined_Atom_Stereo_Count	0
54758035	Exact_Mass	490.20386201
3957	XLogP3	5.2
89440	Undefined_Bond_Stereo_Count	0
91329391	Covalent_Unit_Count	1
33741	Structure_Complexity	282
9818021	Total_Formal_Charge	0
7929	Rotatable_Bond_Count	0
50901	TPSA	68.9
40466932	Defined_Atom_Stereo_Count	2
13400657	Undefined_Atom_Stereo_Count	1
817383	Covalent_Unit_Count	1
3063289	Undefined_Bond_Stereo_Count	0
101063142	Undefined_Atom_Stereo_Count	0
71988	Molecular_Weight	344.5
444025	XLogP3	3.9
23724874	TPSA	125
77051	XLogP3-AA	1.4
67215	Covalent_Unit_Count	1
3036056	Defined_Atom_Stereo_Count	0
44475990	Hydrogen_Bond_Donor_Count	2
400769	TPSA	84.2
4743	Undefined_Atom_Stereo_Count	7
118014937	Undefined_Bond_Stereo_Count	0
10872638	Total_Formal_Charge	0
163455192	Undefined_Atom_Stereo_Count	1
15197399	TPSA	40.4
13850985	Defined_Bond_Stereo_Count	0
6433695	Hydrogen_Bond_Donor_Count	1
70480850	Total_Formal_Charge	0
65649	Non-hydrogen_Atom_Count	12
3083542	Exact_Mass	400.26135963
7121	Exact_Mass	182.05790880
123917	Defined_Bond_Stereo_Count	0
138440	TPSA	37.3
6478	XLogP3	5
53967	Defined_Atom_Stereo_Count	0
138041	Non-hydrogen_Atom_Count	2
5284613	Undefined_Bond_Stereo_Count	0
70106	XLogP3-AA	1.3
11412356	Total_Formal_Charge	0
66086	TPSA	0
128882	Undefined_Bond_Stereo_Count	0
36027	Undefined_Bond_Stereo_Count	0
7566539	Isotope_Atom_Count	0
68052608	Rotatable_Bond_Count	0
2762809	Isotope_Atom_Count	0
5284631	Rotatable_Bond_Count	5
25099474	Exact_Mass	361.13388831
15981292	Undefined_Atom_Stereo_Count	0
12102501	Defined_Atom_Stereo_Count	0
19736925	Total_Formal_Charge	0
95559	Non-hydrogen_Atom_Count	8
91801202	Undefined_Atom_Stereo_Count	0
22833341	Rotatable_Bond_Count	17
46882191	XLogP3-AA	3.7
9547713	Total_Formal_Charge	0
60992	Covalent_Unit_Count	2
921599	TPSA	48.1
10899282	Undefined_Bond_Stereo_Count	0
10636633	Hydrogen_Bond_Donor_Count	0
5544	Isotope_Atom_Count	0
9657	Undefined_Atom_Stereo_Count	1
101534	TPSA	75.3
7989	Isotope_Atom_Count	0
2812075	Rotatable_Bond_Count	4
3418	Total_Formal_Charge	0
10486803	Exact_Mass	98.048012819
76217	Undefined_Bond_Stereo_Count	0
6918852	Hydrogen_Bond_Donor_Count	2
138961	Exact_Mass	97.052763847
139158	Non-hydrogen_Atom_Count	7
442070	Tautomer_Count	3
66704467	Exact_Mass	272.02893460
247974	TPSA	57.5
10219396	TPSA	26
28125489	Undefined_Bond_Stereo_Count	0
91604	Exact_Mass	210.161979940
123868	Mono_Isotopic_Weight	146.105527694
15608605	Molecular_Weight	416.5
9707	Isotope_Atom_Count	0
11625778	Undefined_Atom_Stereo_Count	0
6610318	XLogP3-AA	1.2
18522	Defined_Bond_Stereo_Count	0
86429	XLogP3-AA	3.6
70498808	Non-hydrogen_Atom_Count	7
5281672	Total_Formal_Charge	0
88211	Molecular_Weight	92.16
23662354	Undefined_Atom_Stereo_Count	0
295275	Mono_Isotopic_Weight	318.0771200
284024	Undefined_Atom_Stereo_Count	1
1491	Structure_Complexity	157
7773	Hydrogen_Bond_Donor_Count	0
52941509	Undefined_Bond_Stereo_Count	0
5371578	Tautomer_Count	1
2822	Covalent_Unit_Count	1
19354187	Structure_Complexity	91.9
23327	Hydrogen_Bond_Acceptor_Count	5
3029	Structure_Complexity	751
155804760	Rotatable_Bond_Count	7
69521	XLogP3-AA	0.4
6915	Mono_Isotopic_Weight	116.083729621
574450	Covalent_Unit_Count	1
18539784	Isotope_Atom_Count	0
15942890	Structure_Complexity	721
22856	Defined_Bond_Stereo_Count	0
14143522	Defined_Bond_Stereo_Count	0
266	Hydrogen_Bond_Donor_Count	2
10219396	Mono_Isotopic_Weight	107.037113783
15983552	Structure_Complexity	650
6918493	Hydrogen_Bond_Acceptor_Count	6
11240424	Undefined_Bond_Stereo_Count	0
23994	Structure_Complexity	0
139061810	Undefined_Bond_Stereo_Count	0
49865783	Hydrogen_Bond_Acceptor_Count	2
16158207	Exact_Mass	1585.4110510
9353	Hydrogen_Bond_Donor_Count	2
70981	Isotope_Atom_Count	0
96129	Undefined_Bond_Stereo_Count	0
83064	Exact_Mass	318.09508215
18381089	Undefined_Bond_Stereo_Count	0
12229743	TPSA	38
87162	Hydrogen_Bond_Donor_Count	0
9941379	Total_Formal_Charge	0
54180637	Isotope_Atom_Count	0
1342	Hydrogen_Bond_Donor_Count	1
4915	Structure_Complexity	210
21189145	Mono_Isotopic_Weight	114.031694049
537236	Undefined_Bond_Stereo_Count	0
62551	Non-hydrogen_Atom_Count	16
164087	Isotope_Atom_Count	0
6227	Tautomer_Count	1
2933256	Defined_Bond_Stereo_Count	0
259329	Total_Formal_Charge	0
542680	Structure_Complexity	72.1
44458766	Hydrogen_Bond_Donor_Count	4
21407	TPSA	29.1
565391	Undefined_Bond_Stereo_Count	0
1615208	Hydrogen_Bond_Acceptor_Count	1
121250	Exact_Mass	122.04015073
134826477	Structure_Complexity	1180
52987646	Rotatable_Bond_Count	17
13033202	TPSA	52
96327587	Rotatable_Bond_Count	6
11947765	Hydrogen_Bond_Acceptor_Count	5
54601877	Defined_Atom_Stereo_Count	0
21602045	Isotope_Atom_Count	0
54511	Mono_Isotopic_Weight	356.1866705
158798	Mono_Isotopic_Weight	363.13479319
4363	Isotope_Atom_Count	0
72199624	Mono_Isotopic_Weight	488.1635470
139135915	Hydrogen_Bond_Acceptor_Count	2
160743752	Defined_Bond_Stereo_Count	0
7551	TPSA	38.3
4833	Exact_Mass	614.28930571
123217479	Hydrogen_Bond_Acceptor_Count	0
48011	Exact_Mass	598.2266172
10685477	Defined_Bond_Stereo_Count	0
2279	Covalent_Unit_Count	1
167725	Rotatable_Bond_Count	0
76482	Total_Formal_Charge	0
667448	Molecular_Weight	324.4
4868	Defined_Bond_Stereo_Count	0
6453781	Covalent_Unit_Count	1
67522	Total_Formal_Charge	0
9210	Covalent_Unit_Count	1
28308	Isotope_Atom_Count	0
10224181	Mono_Isotopic_Weight	424.14230712
12210512	Total_Formal_Charge	0
154809629	Total_Formal_Charge	0
12120	Structure_Complexity	95.3
778	Isotope_Atom_Count	0
410906	Undefined_Atom_Stereo_Count	0
142107	Hydrogen_Bond_Acceptor_Count	1
6871216	Covalent_Unit_Count	1
883785	Isotope_Atom_Count	0
129696925	Covalent_Unit_Count	2
16132767	Molecular_Weight	1132.1
6454737	Tautomer_Count	3
72950888	Hydrogen_Bond_Acceptor_Count	10
136836	Undefined_Bond_Stereo_Count	0
10440976	Total_Formal_Charge	0
17238	Non-hydrogen_Atom_Count	7
107656	Total_Formal_Charge	0
91981561	Molecular_Weight	481.9
9935274	Total_Formal_Charge	0
3081317	Non-hydrogen_Atom_Count	44
5281235	Exact_Mass	552.433116406
144841571	Hydrogen_Bond_Acceptor_Count	2
17756737	Isotope_Atom_Count	0
6178111	Total_Formal_Charge	0
13661819	Defined_Bond_Stereo_Count	0
3295461	Covalent_Unit_Count	1
99058	Undefined_Bond_Stereo_Count	0
325385	Hydrogen_Bond_Donor_Count	0
80365	Defined_Bond_Stereo_Count	0
119047	Undefined_Atom_Stereo_Count	0
64722979	Isotope_Atom_Count	0
72142	Rotatable_Bond_Count	5
20521861	Hydrogen_Bond_Donor_Count	1
31269	Covalent_Unit_Count	1
82322	Isotope_Atom_Count	0
11355447	Tautomer_Count	1
5432	Tautomer_Count	6
161272	Isotope_Atom_Count	0
22948535	Hydrogen_Bond_Donor_Count	0
6028462	Molecular_Weight	84.12
5361919	Defined_Bond_Stereo_Count	1
8472	Molecular_Weight	124.08
152199271	Exact_Mass	112.088815002
16722125	Rotatable_Bond_Count	7
8794	Hydrogen_Bond_Acceptor_Count	1
96517	Tautomer_Count	5
197127	TPSA	123
15812317	Structure_Complexity	96.4
5329047	Non-hydrogen_Atom_Count	29
12385064	Hydrogen_Bond_Donor_Count	0
70520512	Undefined_Atom_Stereo_Count	2
21786	Hydrogen_Bond_Donor_Count	1
20266	Tautomer_Count	4
70069	Structure_Complexity	669
83971	Molecular_Weight	893.0
102533943	Isotope_Atom_Count	0
20483595	Mono_Isotopic_Weight	106.053098200
1548886	Defined_Atom_Stereo_Count	0
2063927	Defined_Atom_Stereo_Count	0
448209	Undefined_Atom_Stereo_Count	0
12702413	XLogP3	2
743295	Non-hydrogen_Atom_Count	18
126977538	Mono_Isotopic_Weight	112.052429494
61309780	Isotope_Atom_Count	0
87478594	TPSA	49.3
592279	Defined_Atom_Stereo_Count	0
3033985	Total_Formal_Charge	0
133066	Hydrogen_Bond_Acceptor_Count	2
96809	Covalent_Unit_Count	1
25195346	Undefined_Atom_Stereo_Count	0
71306478	Molecular_Weight	369.11
16219903	Non-hydrogen_Atom_Count	44
54688693	Undefined_Bond_Stereo_Count	0
256019	Mono_Isotopic_Weight	218.04129354
26117	Undefined_Atom_Stereo_Count	0
12242822	Mono_Isotopic_Weight	155.142041939
44814409	Undefined_Atom_Stereo_Count	0
20517187	Non-hydrogen_Atom_Count	8
4097	Total_Formal_Charge	1
670359	Defined_Bond_Stereo_Count	0
10246418	Undefined_Atom_Stereo_Count	0
77507	Structure_Complexity	243
261407	Total_Formal_Charge	0
1379	Mono_Isotopic_Weight	358.30830982
70945	TPSA	34.1
5458497	Undefined_Bond_Stereo_Count	0
7213679	XLogP3	2.3
90489753	Non-hydrogen_Atom_Count	47
146160332	Isotope_Atom_Count	0
108108	Isotope_Atom_Count	0
103528	Total_Formal_Charge	0
9821174	Defined_Atom_Stereo_Count	2
51918	Structure_Complexity	153
13887	Rotatable_Bond_Count	1
1964	Non-hydrogen_Atom_Count	23
10624	Molecular_Weight	284.25
2349	Defined_Atom_Stereo_Count	0
56927704	Hydrogen_Bond_Acceptor_Count	12
527764	Covalent_Unit_Count	1
56955187	Hydrogen_Bond_Donor_Count	1
154202106	Rotatable_Bond_Count	1
70255	TPSA	17.8
136231689	Defined_Bond_Stereo_Count	0
57394711	Defined_Bond_Stereo_Count	0
5084	Undefined_Bond_Stereo_Count	0
135398658	Hydrogen_Bond_Acceptor_Count	10
23527	Molecular_Weight	114.19
54685047	Molecular_Weight	478.9
6180	Undefined_Atom_Stereo_Count	1
135419182	Molecular_Weight	538.22
33874	Hydrogen_Bond_Donor_Count	2
61235	Molecular_Weight	142.24
216281	Mono_Isotopic_Weight	193.110278721
10376445	Hydrogen_Bond_Acceptor_Count	2
398675	XLogP3-AA	5.1
5460570	Undefined_Bond_Stereo_Count	0
75372	TPSA	9.2
12085802	Defined_Atom_Stereo_Count	5
10034581	XLogP3-AA	0.9
73102147	Rotatable_Bond_Count	2
5352449	Molecular_Weight	248.4
108007	Exact_Mass	619.175549
22612	XLogP3-AA	1
96402	Hydrogen_Bond_Acceptor_Count	0
15269993	Hydrogen_Bond_Donor_Count	1
158980	Isotope_Atom_Count	0
7173	Isotope_Atom_Count	0
460612	Mono_Isotopic_Weight	304.0745332
9563	Undefined_Atom_Stereo_Count	5
3283	Hydrogen_Bond_Acceptor_Count	1
15073	XLogP3-AA	0.6
12659781	Non-hydrogen_Atom_Count	6
444863	Defined_Bond_Stereo_Count	0
104741	Undefined_Atom_Stereo_Count	1
33606	XLogP3	3.4
23691019	Hydrogen_Bond_Donor_Count	0
14412169	Molecular_Weight	96.13
521381	XLogP3	1.1
20298886	Covalent_Unit_Count	1
9795291	Rotatable_Bond_Count	4
53990905	Isotope_Atom_Count	0
12751986	Exact_Mass	108.068748264
81047	Rotatable_Bond_Count	0
11591222	Hydrogen_Bond_Acceptor_Count	8
447360	Hydrogen_Bond_Acceptor_Count	6
84647682	Undefined_Atom_Stereo_Count	3
68979856	Defined_Bond_Stereo_Count	0
20259182	Exact_Mass	108.093900383
13698	Exact_Mass	193.089149355
2819635	Undefined_Bond_Stereo_Count	0
26956	Total_Formal_Charge	0
23283113	Undefined_Bond_Stereo_Count	0
141445129	Total_Formal_Charge	0
317940	Undefined_Bond_Stereo_Count	0
41506	Tautomer_Count	1
89512131	Isotope_Atom_Count	0
61120	Rotatable_Bond_Count	4
867	Hydrogen_Bond_Acceptor_Count	4
21895922	Covalent_Unit_Count	1
15982018	Isotope_Atom_Count	0
137092	Hydrogen_Bond_Acceptor_Count	1
50936926	TPSA	85.8
17652	Non-hydrogen_Atom_Count	11
9460	Defined_Atom_Stereo_Count	0
8223	Total_Formal_Charge	0
75552	Isotope_Atom_Count	0
42884	Undefined_Bond_Stereo_Count	0
67121664	Exact_Mass	112.088815002
299369	Hydrogen_Bond_Donor_Count	1
442882	Non-hydrogen_Atom_Count	27
25102	Molecular_Weight	370.4
49852291	Hydrogen_Bond_Acceptor_Count	6
77996	Total_Formal_Charge	0
139593379	Non-hydrogen_Atom_Count	46
4423	Mono_Isotopic_Weight	311.15214353
606990	Defined_Atom_Stereo_Count	0
193516	Covalent_Unit_Count	1
7705	Undefined_Atom_Stereo_Count	0
71449859	TPSA	114
76590	Mono_Isotopic_Weight	239.82440
88598	Total_Formal_Charge	0
61179	Molecular_Weight	345.65
71309129	Rotatable_Bond_Count	1
54484769	Total_Formal_Charge	0
6973664	XLogP3-AA	3
7443	Covalent_Unit_Count	1
23216963	Undefined_Atom_Stereo_Count	2
9284	Structure_Complexity	330
118946372	Isotope_Atom_Count	0
25273236	Undefined_Atom_Stereo_Count	0
101744	XLogP3	2.7
10419	Rotatable_Bond_Count	0
16536	Structure_Complexity	179
14831302	Rotatable_Bond_Count	2
54460486	Isotope_Atom_Count	0
3424	Molecular_Weight	303.4
19847	Exact_Mass	281.9554066
398638	Exact_Mass	333.15896025
447021	Hydrogen_Bond_Acceptor_Count	7
10870	Exact_Mass	134.109550447
11636816	Undefined_Atom_Stereo_Count	0
13976559	TPSA	38.7
40399	Undefined_Bond_Stereo_Count	0
61341	Exact_Mass	146.036779430
2735107	Exact_Mass	232.07452447
44404716	Exact_Mass	543.25556322
18921	Defined_Atom_Stereo_Count	0
950975	Defined_Atom_Stereo_Count	0
6436219	Rotatable_Bond_Count	1
10108830	TPSA	91.4
135421876	TPSA	82.5
96373	Undefined_Bond_Stereo_Count	0
40537366	Mono_Isotopic_Weight	350.235813585
699683	Hydrogen_Bond_Donor_Count	0
9862634	Isotope_Atom_Count	0
17074527	Non-hydrogen_Atom_Count	8
54758599	TPSA	751
134032	Isotope_Atom_Count	0
91996283	Total_Formal_Charge	0
5311032	Defined_Atom_Stereo_Count	5
3000226	Total_Formal_Charge	0
9804219	Structure_Complexity	672
13077	Defined_Bond_Stereo_Count	0
165542	Isotope_Atom_Count	0
3355	Hydrogen_Bond_Acceptor_Count	10
9818479	Mono_Isotopic_Weight	203.105862047
15335183	Hydrogen_Bond_Acceptor_Count	2
7941	XLogP3	3.7
122313	Mono_Isotopic_Weight	323.12296866
25131330	Hydrogen_Bond_Donor_Count	1
1269845	Total_Formal_Charge	0
59755737	Covalent_Unit_Count	1
129474	Defined_Atom_Stereo_Count	0
87424384	Total_Formal_Charge	0
135398508	Isotope_Atom_Count	0
153929914	Defined_Atom_Stereo_Count	0
461399	Hydrogen_Bond_Acceptor_Count	8
68321924	Non-hydrogen_Atom_Count	26
145946920	Hydrogen_Bond_Donor_Count	8
101718251	Total_Formal_Charge	0
735940	Hydrogen_Bond_Acceptor_Count	2
17073	Molecular_Weight	159.44
12536733	Total_Formal_Charge	0
42609610	Tautomer_Count	11
123332	Total_Formal_Charge	1
274418	Undefined_Atom_Stereo_Count	2
5478817	Structure_Complexity	124
37243	Isotope_Atom_Count	0
99147	Hydrogen_Bond_Acceptor_Count	2
5361	TPSA	534
636399	Isotope_Atom_Count	0
5932	Rotatable_Bond_Count	2
23377620	Defined_Atom_Stereo_Count	0
71586806	Undefined_Atom_Stereo_Count	0
146158693	Defined_Atom_Stereo_Count	2
909750	Undefined_Atom_Stereo_Count	0
57339238	Total_Formal_Charge	0
98055	Isotope_Atom_Count	0
5015763	Undefined_Bond_Stereo_Count	0
153643637	Exact_Mass	99.068413911
170759	Undefined_Atom_Stereo_Count	0
6252910	Total_Formal_Charge	0
23567201	Covalent_Unit_Count	1
15074	Molecular_Weight	122.12
2763788	Non-hydrogen_Atom_Count	16
67707	Isotope_Atom_Count	0
10887866	Total_Formal_Charge	0
69602	Molecular_Weight	153.18
676399	Mono_Isotopic_Weight	284.11609238
125556	Total_Formal_Charge	0
5283381	Defined_Atom_Stereo_Count	0
72474	Hydrogen_Bond_Donor_Count	2
71268957	Total_Formal_Charge	0
9915861	Undefined_Bond_Stereo_Count	0
5460364	Hydrogen_Bond_Donor_Count	0
24901210	Mono_Isotopic_Weight	497.1539906
2771917	Undefined_Bond_Stereo_Count	0
2315	Undefined_Atom_Stereo_Count	1
107502	Undefined_Bond_Stereo_Count	0
71584405	Hydrogen_Bond_Donor_Count	2
165717	Exact_Mass	100.052429494
96160	Defined_Bond_Stereo_Count	0
95258	Structure_Complexity	174
56949517	Undefined_Bond_Stereo_Count	0
62475	Defined_Bond_Stereo_Count	0
195432	TPSA	118
254454	Covalent_Unit_Count	1
12607503	Undefined_Bond_Stereo_Count	0
448265	Rotatable_Bond_Count	0
54688694	Isotope_Atom_Count	0
71451929	Defined_Atom_Stereo_Count	2
5325574	Molecular_Weight	115.17
13104807	Non-hydrogen_Atom_Count	43
23505018	Exact_Mass	116.083729621
4216	Defined_Atom_Stereo_Count	0
77515	Hydrogen_Bond_Donor_Count	0
46220	Structure_Complexity	152
40896	Molecular_Weight	310.29
75057	Undefined_Atom_Stereo_Count	0
12561969	XLogP3-AA	1.4
14917	Undefined_Bond_Stereo_Count	0
4308	Tautomer_Count	2
10478	Hydrogen_Bond_Donor_Count	0
56995913	Defined_Bond_Stereo_Count	0
18424759	Hydrogen_Bond_Donor_Count	1
19375416	Mono_Isotopic_Weight	110.073164938
60196398	Exact_Mass	676.30296691
88007	Exact_Mass	1193.05482142
10197619	Rotatable_Bond_Count	1
10476254	Total_Formal_Charge	0
13283	Non-hydrogen_Atom_Count	17
19370943	Non-hydrogen_Atom_Count	8
40218	Total_Formal_Charge	0
13871	Total_Formal_Charge	0
96129	Undefined_Atom_Stereo_Count	0
14815775	Rotatable_Bond_Count	0
18381089	Undefined_Atom_Stereo_Count	0
75472	Molecular_Weight	171.28
18377249	Rotatable_Bond_Count	2
7020624	Mono_Isotopic_Weight	99.104799419
22818	Undefined_Atom_Stereo_Count	0
180335	Molecular_Weight	351.9
227112	Hydrogen_Bond_Donor_Count	2
73461	TPSA	193
23466227	Total_Formal_Charge	0
6918558	Hydrogen_Bond_Donor_Count	1
54574891	Undefined_Bond_Stereo_Count	1
55241	Tautomer_Count	1
19070	Hydrogen_Bond_Donor_Count	3
825877	Defined_Bond_Stereo_Count	0
226057	Mono_Isotopic_Weight	269.120449483
5748152	Molecular_Weight	324.4
23692128	Non-hydrogen_Atom_Count	48
58024825	Structure_Complexity	705
88928	Defined_Bond_Stereo_Count	0
22602664	Defined_Bond_Stereo_Count	0
72429	Undefined_Bond_Stereo_Count	0
73707513	Mono_Isotopic_Weight	768.48932838
24916942	Hydrogen_Bond_Acceptor_Count	8
26757	Structure_Complexity	195
5464344	Defined_Atom_Stereo_Count	3
12302	Hydrogen_Bond_Acceptor_Count	2
30771	XLogP3-AA	3.2
110821	Rotatable_Bond_Count	5
9737	Defined_Bond_Stereo_Count	0
55281352	Covalent_Unit_Count	1
95717	Rotatable_Bond_Count	0
66587032	Non-hydrogen_Atom_Count	29
5359853	TPSA	74.6
79583	Defined_Bond_Stereo_Count	0
84567	Defined_Bond_Stereo_Count	0
84589	Hydrogen_Bond_Acceptor_Count	2
351917	Covalent_Unit_Count	1
134692352	Isotope_Atom_Count	0
6916033	Undefined_Bond_Stereo_Count	0
4136526	Exact_Mass	286.09701070
36014	Exact_Mass	285.10921
12428066	Exact_Mass	111.068413911
10080906	Tautomer_Count	1
77520435	Exact_Mass	358.19836
64740	Exact_Mass	404.1117066
5497105	Isotope_Atom_Count	0
74981	Undefined_Atom_Stereo_Count	0
54392998	Mono_Isotopic_Weight	117.078978594
10347891	Non-hydrogen_Atom_Count	39
11959	Structure_Complexity	128
24314	Exact_Mass	130.099379685
5702236	Molecular_Weight	261.34
77548	XLogP3	2.6
17842350	Undefined_Bond_Stereo_Count	0
514	Molecular_Weight	483.3
10269854	TPSA	107
136451	Covalent_Unit_Count	1
16724	Total_Formal_Charge	0
2532	Non-hydrogen_Atom_Count	26
15678	Hydrogen_Bond_Donor_Count	0
139081225	Total_Formal_Charge	0
722163	Defined_Bond_Stereo_Count	0
77680	Covalent_Unit_Count	1
47932	Total_Formal_Charge	0
23073857	Defined_Bond_Stereo_Count	0
20807398	Rotatable_Bond_Count	20
2763788	Exact_Mass	227.05171847
13073879	Exact_Mass	116.083729621
62662	Hydrogen_Bond_Acceptor_Count	11
12740455	Covalent_Unit_Count	1
549318	Hydrogen_Bond_Acceptor_Count	1
61680	Undefined_Bond_Stereo_Count	0
439236	Covalent_Unit_Count	1
96387	Molecular_Weight	177.24
25008941	Defined_Bond_Stereo_Count	0
79069	Non-hydrogen_Atom_Count	8
15942852	Hydrogen_Bond_Acceptor_Count	3
57515973	Hydrogen_Bond_Donor_Count	4
447043	Mono_Isotopic_Weight	748.50852574
21872496	Defined_Bond_Stereo_Count	0
9883104	Undefined_Atom_Stereo_Count	0
67938	Tautomer_Count	1
54350	Non-hydrogen_Atom_Count	27
11485656	Mono_Isotopic_Weight	375.14953838
134664	XLogP3-AA	1.9
11668187	Exact_Mass	387.16952493
526624	Exact_Mass	226.01222190
5281888	Structure_Complexity	693
6610296	Undefined_Bond_Stereo_Count	1
23675320	Mono_Isotopic_Weight	457.0475138
6366591	XLogP3-AA	1.7
132274080	Undefined_Atom_Stereo_Count	10
70359	Undefined_Atom_Stereo_Count	0
101827037	Molecular_Weight	1389.9
67832	Mono_Isotopic_Weight	202.00287536
22477643	Mono_Isotopic_Weight	106.053098200
4037	Covalent_Unit_Count	1
562634	XLogP3-AA	3.3
3595	Non-hydrogen_Atom_Count	27
77445309	Mono_Isotopic_Weight	114.104465066
709170	Rotatable_Bond_Count	4
10614	Covalent_Unit_Count	1
40469136	Isotope_Atom_Count	0
13704283	Undefined_Bond_Stereo_Count	0
57990869	Hydrogen_Bond_Acceptor_Count	7
126968495	Structure_Complexity	1370
11421	Structure_Complexity	165
439517	Tautomer_Count	2
583540	Hydrogen_Bond_Acceptor_Count	3
24832091	Hydrogen_Bond_Acceptor_Count	11
134693165	Exact_Mass	742.23202911
18781684	Undefined_Bond_Stereo_Count	0
163091	Non-hydrogen_Atom_Count	20
67112	Covalent_Unit_Count	1
101304	Non-hydrogen_Atom_Count	18
522536	Covalent_Unit_Count	1
6409631	Defined_Bond_Stereo_Count	0
251636	Isotope_Atom_Count	0
69189	TPSA	63.3
10838895	Hydrogen_Bond_Acceptor_Count	8
46968	Undefined_Atom_Stereo_Count	0
69272932	TPSA	62.2
162639137	Exact_Mass	422.15115773
10297008	Mono_Isotopic_Weight	440.12667431
44414678	Undefined_Bond_Stereo_Count	0
687	Undefined_Atom_Stereo_Count	3
525	Defined_Atom_Stereo_Count	0
135565932	Undefined_Bond_Stereo_Count	0
5281647	Exact_Mass	422.08491139
135270107	Non-hydrogen_Atom_Count	8
31336	TPSA	71.1
13388558	Molecular_Weight	310.27
159278	Structure_Complexity	306
73172	Exact_Mass	105.032697108
142959	Hydrogen_Bond_Acceptor_Count	4
19426425	Undefined_Atom_Stereo_Count	0
3843063	Undefined_Bond_Stereo_Count	0
21467	Undefined_Atom_Stereo_Count	1
12546246	Rotatable_Bond_Count	1
192435	Defined_Atom_Stereo_Count	10
753053	Defined_Bond_Stereo_Count	0
3033983	Exact_Mass	426.15730574
2724883	Mono_Isotopic_Weight	215.094628657
8400	Defined_Bond_Stereo_Count	0
10111431	Defined_Bond_Stereo_Count	0
123964	Covalent_Unit_Count	1
18104	TPSA	72.3
14849721	Non-hydrogen_Atom_Count	8
28697	Tautomer_Count	1
11979781	TPSA	356
15072744	Undefined_Bond_Stereo_Count	0
444679	Rotatable_Bond_Count	4
6438130	TPSA	55.1
10290773	Hydrogen_Bond_Acceptor_Count	3
5283748	XLogP3-AA	5
520913	Isotope_Atom_Count	0
65983891	Molecular_Weight	98.10
11552706	Rotatable_Bond_Count	6
4872633	Isotope_Atom_Count	0
55291464	Covalent_Unit_Count	1
6693	XLogP3	2.3
16639	XLogP3-AA	2.7
1381	Exact_Mass	408.18886022
5464037	Total_Formal_Charge	0
461003	Non-hydrogen_Atom_Count	31
11971580	Undefined_Atom_Stereo_Count	3
64212	Covalent_Unit_Count	1
54808	Tautomer_Count	3
56666736	Covalent_Unit_Count	1
5289332	Hydrogen_Bond_Acceptor_Count	5
443372	Hydrogen_Bond_Acceptor_Count	4
31191	Defined_Bond_Stereo_Count	0
69102	Rotatable_Bond_Count	0
216416	Exact_Mass	413.235479232
643681	Total_Formal_Charge	0
129009962	Hydrogen_Bond_Acceptor_Count	28
24884361	Mono_Isotopic_Weight	184.219100893
12453026	Isotope_Atom_Count	0
71827	Exact_Mass	242.105527694
135399235	Non-hydrogen_Atom_Count	20
91707	Covalent_Unit_Count	1
129195194	Rotatable_Bond_Count	1
31310	Molecular_Weight	692.8
6438151	Undefined_Atom_Stereo_Count	0
63985	Hydrogen_Bond_Acceptor_Count	6
57511216	Undefined_Atom_Stereo_Count	0
132305	Hydrogen_Bond_Acceptor_Count	7
642799	Hydrogen_Bond_Donor_Count	0
9934492	Covalent_Unit_Count	2
13062961	Hydrogen_Bond_Donor_Count	1
76997051	Covalent_Unit_Count	1
5074	TPSA	61.2
22749	Exact_Mass	116.120115130
18980923	Molecular_Weight	99.13
18520896	Molecular_Weight	124.10
10962	Non-hydrogen_Atom_Count	5
5293	Structure_Complexity	858
147895	Hydrogen_Bond_Donor_Count	4
21804	Undefined_Bond_Stereo_Count	0
838844	Mono_Isotopic_Weight	237.97418
93550	Defined_Atom_Stereo_Count	0
92337	Defined_Bond_Stereo_Count	0
644113	Exact_Mass	362.0224976
315411	Isotope_Atom_Count	0
133665799	Covalent_Unit_Count	1
8194	XLogP3-AA	4.9
6521	Total_Formal_Charge	0
197490	Defined_Bond_Stereo_Count	0
729	Exact_Mass	169.99802494
43876	Hydrogen_Bond_Donor_Count	0
3340152	Defined_Atom_Stereo_Count	0
18696579	Structure_Complexity	44.5
12089	Structure_Complexity	141
11446361	Hydrogen_Bond_Donor_Count	1
71756167	Molecular_Weight	113.12
72253	Mono_Isotopic_Weight	303.07325556
5486700	Structure_Complexity	1560
8016	Defined_Bond_Stereo_Count	0
1820	Hydrogen_Bond_Acceptor_Count	3
111804	Rotatable_Bond_Count	4
517546	Molecular_Weight	225.3
6957672	Isotope_Atom_Count	0
5249209	TPSA	30.7
44473182	Hydrogen_Bond_Donor_Count	0
118388018	Molecular_Weight	114.06
63419	Covalent_Unit_Count	1
9793848	Molecular_Weight	150.16
535623	Rotatable_Bond_Count	0
18369938	Rotatable_Bond_Count	1
76469	Total_Formal_Charge	0
17825268	Hydrogen_Bond_Acceptor_Count	3
18955656	Undefined_Atom_Stereo_Count	0
3366	Non-hydrogen_Atom_Count	9
431631	Tautomer_Count	1
3169	Exact_Mass	236.152477885
6694	Non-hydrogen_Atom_Count	34
5702279	Non-hydrogen_Atom_Count	36
15886	TPSA	125
12434155	Rotatable_Bond_Count	1
71333302	Mono_Isotopic_Weight	114.031694049
65258	Undefined_Atom_Stereo_Count	0
11957521	Defined_Atom_Stereo_Count	6
12553931	TPSA	26.3
656999	Defined_Bond_Stereo_Count	1
61007	Molecular_Weight	178.23
59045964	Structure_Complexity	74.9
138440	XLogP3-AA	0.8
10154060	Defined_Atom_Stereo_Count	0
9930	Undefined_Atom_Stereo_Count	0
10972	Tautomer_Count	3
5282426	Covalent_Unit_Count	1
80125	Covalent_Unit_Count	1
17907809	Total_Formal_Charge	0
3658056	Structure_Complexity	738
3037	Rotatable_Bond_Count	2
13809010	Defined_Atom_Stereo_Count	0
712421	Structure_Complexity	153
87365092	Rotatable_Bond_Count	3
21326601	Covalent_Unit_Count	1
46880369	Undefined_Atom_Stereo_Count	0
349957	TPSA	20.3
54580	Hydrogen_Bond_Donor_Count	1
44525553	Hydrogen_Bond_Acceptor_Count	6
4262071	TPSA	66.8
34457	Molecular_Weight	646.6
5354284	Undefined_Bond_Stereo_Count	0
27278	TPSA	24.4
7579	Molecular_Weight	200.24
64948	Molecular_Weight	254.29
5281249	Total_Formal_Charge	0
5311271	Hydrogen_Bond_Acceptor_Count	5
57353643	Molecular_Weight	317.4
51030896	Defined_Atom_Stereo_Count	1
60196335	Covalent_Unit_Count	2
11561538	Defined_Bond_Stereo_Count	0
13999819	Isotope_Atom_Count	0
76997	Covalent_Unit_Count	1
89629295	Total_Formal_Charge	0
60605	Hydrogen_Bond_Acceptor_Count	9
70177	Defined_Atom_Stereo_Count	0
98497	Covalent_Unit_Count	1
689013	XLogP3	3.9
5074	Defined_Atom_Stereo_Count	0
7059472	Defined_Atom_Stereo_Count	3
57565697	Exact_Mass	116.083729621
44134949	Defined_Atom_Stereo_Count	0
2770166	TPSA	82.5
22594387	Mono_Isotopic_Weight	96.057514874
64964	Total_Formal_Charge	0
4581	Exact_Mass	153.078978594
14055	Non-hydrogen_Atom_Count	4
6913	Hydrogen_Bond_Acceptor_Count	1
71584419	Hydrogen_Bond_Acceptor_Count	7
135413518	Non-hydrogen_Atom_Count	32
678081	Structure_Complexity	365
7853	Exact_Mass	57.057849228
68321924	Covalent_Unit_Count	1
66248	Hydrogen_Bond_Acceptor_Count	3
58907754	XLogP3-AA	2.5
11962143	Structure_Complexity	327
7500	Molecular_Weight	106.16
6918146	Undefined_Atom_Stereo_Count	2
866400	Hydrogen_Bond_Acceptor_Count	5
33294	TPSA	60.8
204109	Exact_Mass	381.08349271
55278707	Mono_Isotopic_Weight	98.048012819
28204	Non-hydrogen_Atom_Count	23
5497171	Hydrogen_Bond_Donor_Count	4
53856650	XLogP3-AA	3.4
13789	Hydrogen_Bond_Donor_Count	0
38855	Mono_Isotopic_Weight	356.29265975
141427445	Isotope_Atom_Count	0
19702729	Hydrogen_Bond_Acceptor_Count	3
70912	XLogP3	0.5
1368742	Total_Formal_Charge	0
5731	Molecular_Weight	287.36
4241466	Mono_Isotopic_Weight	224.177630004
9794197	Rotatable_Bond_Count	3
64769	Mono_Isotopic_Weight	368.1350288
9951059	Rotatable_Bond_Count	5
135882	Non-hydrogen_Atom_Count	18
11207	Total_Formal_Charge	0
649852	Defined_Atom_Stereo_Count	0
6537488	Mono_Isotopic_Weight	199.04807239
54340209	Rotatable_Bond_Count	1
114751	Tautomer_Count	3
2762838	TPSA	12.9
29675	Hydrogen_Bond_Donor_Count	3
9547261	Defined_Bond_Stereo_Count	3
566455	Covalent_Unit_Count	1
38310	Defined_Bond_Stereo_Count	0
439177	Molecular_Weight	666.6
61014	Hydrogen_Bond_Donor_Count	0
30844	Total_Formal_Charge	0
64628	Tautomer_Count	3
107202	Tautomer_Count	1
77011628	Covalent_Unit_Count	1
927	Exact_Mass	543.07675980
68604	Molecular_Weight	401.5
11243969	Defined_Atom_Stereo_Count	4
69440016	Total_Formal_Charge	0
40218	Isotope_Atom_Count	0
24199050	Defined_Bond_Stereo_Count	0
8892	TPSA	37.3
91419082	Undefined_Bond_Stereo_Count	0
11205717	Covalent_Unit_Count	1
88836	Defined_Atom_Stereo_Count	0
17846631	XLogP3-AA	0.3
13529	Covalent_Unit_Count	1
123801117	Exact_Mass	110.109550447
773938	Hydrogen_Bond_Acceptor_Count	4
71587288	Hydrogen_Bond_Donor_Count	1
65605	XLogP3	2.6
21426352	Total_Formal_Charge	0
11581936	Defined_Atom_Stereo_Count	0
70696694	Mono_Isotopic_Weight	380.13069707
664081	Undefined_Bond_Stereo_Count	0
58475	Hydrogen_Bond_Acceptor_Count	2
317459	Hydrogen_Bond_Acceptor_Count	1
90766	Covalent_Unit_Count	1
20825	Covalent_Unit_Count	1
7694	Defined_Atom_Stereo_Count	0
11006	Non-hydrogen_Atom_Count	16
5284514	Exact_Mass	348.183778013
66063	Hydrogen_Bond_Acceptor_Count	2
122501	Covalent_Unit_Count	1
6048	Defined_Atom_Stereo_Count	0
54685047	Isotope_Atom_Count	0
3310	TPSA	161
74040195	TPSA	20.1
68841	Exact_Mass	185.00892397
10129928	Covalent_Unit_Count	1
7413	Exact_Mass	128.083729621
38531	Structure_Complexity	310
121396	Structure_Complexity	227
61207	Total_Formal_Charge	0
44485	Isotope_Atom_Count	0
3035405	Exact_Mass	1212.68532087
9264	Covalent_Unit_Count	1
58645437	Hydrogen_Bond_Acceptor_Count	0
535634	Mono_Isotopic_Weight	81.057849228
6918584	Molecular_Weight	2178.0
61205	Defined_Bond_Stereo_Count	0
39484	Undefined_Atom_Stereo_Count	0
260716	Covalent_Unit_Count	1
5376	XLogP3-AA	7.1
3996620	Exact_Mass	231.07696722
6850791	Molecular_Weight	1269.4
126437	XLogP3-AA	2.2
2804997	XLogP3-AA	5.5
135431668	Undefined_Atom_Stereo_Count	1
564996	Mono_Isotopic_Weight	270.02554
32266	Rotatable_Bond_Count	4
56149	Non-hydrogen_Atom_Count	15
40471	TPSA	0
9866696	Rotatable_Bond_Count	3
66000	XLogP3-AA	1.5
5460541	Undefined_Atom_Stereo_Count	0
30973	TPSA	61.5
44563066	TPSA	84.7
6916033	Undefined_Atom_Stereo_Count	0
62493	TPSA	17.1
6436015	Defined_Bond_Stereo_Count	2
443391	Undefined_Atom_Stereo_Count	0
439352	Hydrogen_Bond_Acceptor_Count	4
25314	Covalent_Unit_Count	2
53316391	Molecular_Weight	386.5
444097	Exact_Mass	616.177291
558206	Defined_Bond_Stereo_Count	0
38350	Defined_Bond_Stereo_Count	0
4025	Undefined_Bond_Stereo_Count	0
145712239	TPSA	304
18182	Undefined_Atom_Stereo_Count	0
67678949	Exact_Mass	114.068079557
16129690	Rotatable_Bond_Count	40
182511	Non-hydrogen_Atom_Count	14
5826113	Isotope_Atom_Count	0
12465658	Total_Formal_Charge	0
12746	Defined_Atom_Stereo_Count	0
47320	Molecular_Weight	1243.5
7560	Molecular_Weight	164.20
88953	Exact_Mass	409.23654186
40896	Non-hydrogen_Atom_Count	20
156323004	Total_Formal_Charge	0
148089453	Covalent_Unit_Count	1
11303	Isotope_Atom_Count	0
19830271	Hydrogen_Bond_Acceptor_Count	1
20811	Defined_Atom_Stereo_Count	0
12383778	Defined_Atom_Stereo_Count	0
75690	Molecular_Weight	254.40
53635139	Total_Formal_Charge	0
7244	XLogP3	2.4
135413504	TPSA	83.1
80654	Non-hydrogen_Atom_Count	10
9887884	Hydrogen_Bond_Acceptor_Count	5
539001	Exact_Mass	126.02924926
5095	Rotatable_Bond_Count	7
21901092	Exact_Mass	97.016378338
11126224	Exact_Mass	116.047344113
11909	Covalent_Unit_Count	1
43057	Hydrogen_Bond_Donor_Count	1
699	Hydrogen_Bond_Acceptor_Count	5
67434749	TPSA	52
66192	Total_Formal_Charge	0
5281521	Structure_Complexity	307
4744464	Isotope_Atom_Count	0
57370509	XLogP3-AA	18.3
334447	Non-hydrogen_Atom_Count	16
82452	Isotope_Atom_Count	0
18369938	Hydrogen_Bond_Acceptor_Count	3
19801	Covalent_Unit_Count	1
62539	TPSA	34.1
95566291	Exact_Mass	416.32904526
11048	Defined_Bond_Stereo_Count	0
11677589	Non-hydrogen_Atom_Count	35
55288256	Undefined_Bond_Stereo_Count	0
138991760	Rotatable_Bond_Count	9
54561127	Hydrogen_Bond_Donor_Count	1
84589	Undefined_Bond_Stereo_Count	0
5223	Isotope_Atom_Count	0
14909259	Undefined_Bond_Stereo_Count	0
6337	Tautomer_Count	1
2520	TPSA	64
7750121	Non-hydrogen_Atom_Count	21
89664	Undefined_Atom_Stereo_Count	0
7451	Exact_Mass	201.9588348
9200	Undefined_Bond_Stereo_Count	0
78236	Isotope_Atom_Count	0
160743752	Molecular_Weight	108.14
16211115	Rotatable_Bond_Count	1
11833	Defined_Atom_Stereo_Count	0
142290	Total_Formal_Charge	0
9964	Exact_Mass	161.04523368
3219	Undefined_Bond_Stereo_Count	0
70813	Mono_Isotopic_Weight	216.00674260
2546	TPSA	112
6000	TPSA	80.6
15570483	Total_Formal_Charge	0
98719	Hydrogen_Bond_Acceptor_Count	2
69845357	Undefined_Atom_Stereo_Count	1
89217	Isotope_Atom_Count	0
21817601	Defined_Atom_Stereo_Count	0
11297956	Hydrogen_Bond_Acceptor_Count	2
57400229	Isotope_Atom_Count	0
79117672	Undefined_Bond_Stereo_Count	0
517296	Total_Formal_Charge	0
688311	Undefined_Bond_Stereo_Count	1
9820008	Defined_Atom_Stereo_Count	0
81451	Defined_Bond_Stereo_Count	0
86585	Isotope_Atom_Count	0
9887844	Hydrogen_Bond_Acceptor_Count	5
123904644	Molecular_Weight	108.18
5283324	Total_Formal_Charge	0
53757199	Molecular_Weight	100.12
23080901	Rotatable_Bond_Count	2
681186	XLogP3-AA	4.4
2017	Total_Formal_Charge	0
3039	Structure_Complexity	181
58376816	Defined_Bond_Stereo_Count	0
62873	Hydrogen_Bond_Acceptor_Count	6
86278404	TPSA	110
25227436	Molecular_Weight	428.9
3035914	Exact_Mass	258.15929460
72070	Tautomer_Count	1
135554980	Hydrogen_Bond_Acceptor_Count	4
10333	Exact_Mass	124.052429494
14794987	Undefined_Atom_Stereo_Count	0
444234	Defined_Bond_Stereo_Count	0
4737	Defined_Bond_Stereo_Count	0
54594622	Total_Formal_Charge	0
101650201	Exact_Mass	364.09200289
44126086	Hydrogen_Bond_Donor_Count	2
58611	Defined_Bond_Stereo_Count	0
444008	Exact_Mass	312.208930132
23409	Hydrogen_Bond_Donor_Count	1
135398592	Hydrogen_Bond_Donor_Count	4
3179255	Hydrogen_Bond_Acceptor_Count	4
2803172	Exact_Mass	223.08579531
70150	Rotatable_Bond_Count	1
57465	Total_Formal_Charge	1
42613186	Structure_Complexity	873
81364	Isotope_Atom_Count	0
85822	Mono_Isotopic_Weight	161.05104977
11545	Defined_Bond_Stereo_Count	0
11658655	Isotope_Atom_Count	0
5283305	Tautomer_Count	1
18923031	Total_Formal_Charge	0
519726	Hydrogen_Bond_Donor_Count	1
9821849	Defined_Atom_Stereo_Count	6
6525	Defined_Atom_Stereo_Count	0
148192	Exact_Mass	704.38974802
167	Undefined_Atom_Stereo_Count	0
5313988	Exact_Mass	522.35596503
3668	XLogP3-AA	0.9
26546	Defined_Bond_Stereo_Count	0
643681	Hydrogen_Bond_Donor_Count	0
107647	Rotatable_Bond_Count	5
3389	Isotope_Atom_Count	0
85122	Rotatable_Bond_Count	1
133119158	Isotope_Atom_Count	2
17835	Non-hydrogen_Atom_Count	11
1566	Total_Formal_Charge	0
5288998	Mono_Isotopic_Weight	237.06372245
54751657	Exact_Mass	493.1615779
130324566	Defined_Bond_Stereo_Count	0
57442010	Hydrogen_Bond_Donor_Count	1
123841971	Non-hydrogen_Atom_Count	7
18336916	Covalent_Unit_Count	1
20220682	Hydrogen_Bond_Acceptor_Count	2
25715	Hydrogen_Bond_Acceptor_Count	9
16213698	TPSA	267
3246155	Structure_Complexity	433
84130	Rotatable_Bond_Count	6
6490	Isotope_Atom_Count	0
18126	XLogP3	3
6604183	Isotope_Atom_Count	0
21617086	TPSA	50.1
44395178	Mono_Isotopic_Weight	477.1567673
10176241	Hydrogen_Bond_Donor_Count	2
26176	Total_Formal_Charge	0
333942	TPSA	91.8
6918412	Mono_Isotopic_Weight	871.36264935
3437714	XLogP3-AA	2.3
31811	TPSA	113
10235	Total_Formal_Charge	0
709430	XLogP3-AA	2.4
2724682	Isotope_Atom_Count	0
9892539	Mono_Isotopic_Weight	509.1751200
70034662	Total_Formal_Charge	0
9840851	Hydrogen_Bond_Acceptor_Count	6
9895194	XLogP3-AA	4.8
26442	Molecular_Weight	339.72
158525	Defined_Atom_Stereo_Count	0
143719689	Total_Formal_Charge	0
118318030	Structure_Complexity	756
3084447	Undefined_Atom_Stereo_Count	0
10240772	Non-hydrogen_Atom_Count	7
1241420	Exact_Mass	173.10519334
26868	Defined_Atom_Stereo_Count	0
11857488	Defined_Atom_Stereo_Count	2
17697	Structure_Complexity	131
210	Molecular_Weight	674.6
15732451	Hydrogen_Bond_Acceptor_Count	3
11182588	Hydrogen_Bond_Donor_Count	1
22178808	Isotope_Atom_Count	0
16051931	Molecular_Weight	452.6
5282547	Undefined_Bond_Stereo_Count	0
21353681	Molecular_Weight	85.15
143392159	Mono_Isotopic_Weight	112.052429494
16409	Exact_Mass	366.02863691
71273	Defined_Bond_Stereo_Count	0
163316	Tautomer_Count	2
118855860	Undefined_Bond_Stereo_Count	0
70697365	Defined_Atom_Stereo_Count	0
10096946	Mono_Isotopic_Weight	486.1128541
6677	Non-hydrogen_Atom_Count	34
2768	Defined_Bond_Stereo_Count	0
91021644	Total_Formal_Charge	0
135121972	Defined_Atom_Stereo_Count	0
13212923	Mono_Isotopic_Weight	99.104799419
72023	Covalent_Unit_Count	1
11269	Mono_Isotopic_Weight	114.140850574
156418	Undefined_Bond_Stereo_Count	0
12711588	Undefined_Atom_Stereo_Count	1
6641	Undefined_Atom_Stereo_Count	0
13117013	Undefined_Atom_Stereo_Count	0
5282045	Isotope_Atom_Count	0
132420	Undefined_Bond_Stereo_Count	0
561780	XLogP3-AA	2.5
68289914	XLogP3-AA	1.3
9956222	Molecular_Weight	467.5
16732313	Isotope_Atom_Count	0
50878566	Exact_Mass	306.15929460
23695324	Tautomer_Count	3
3347	Hydrogen_Bond_Acceptor_Count	4
1471380	Hydrogen_Bond_Acceptor_Count	5
9892539	Undefined_Bond_Stereo_Count	0
6921	Total_Formal_Charge	0
3445	TPSA	63.3
13651	Undefined_Bond_Stereo_Count	0
9873570	XLogP3-AA	3.7
136045807	Undefined_Atom_Stereo_Count	0
51029604	Rotatable_Bond_Count	2
115234	Molecular_Weight	500.8
5460299	Mono_Isotopic_Weight	146.04533274
135450598	Molecular_Weight	537.21
402875	Defined_Bond_Stereo_Count	0
20188397	Structure_Complexity	101
48920	Exact_Mass	283.157228913
70681777	Undefined_Bond_Stereo_Count	0
575893	Hydrogen_Bond_Acceptor_Count	3
16218742	Covalent_Unit_Count	2
8551	Rotatable_Bond_Count	1
11543205	Total_Formal_Charge	0
45488116	Isotope_Atom_Count	0
5493444	Molecular_Weight	551.8
74791	Tautomer_Count	1
3722461	Undefined_Bond_Stereo_Count	0
135854412	Rotatable_Bond_Count	0
11667893	Undefined_Atom_Stereo_Count	0
4141306	Rotatable_Bond_Count	7
5713	XLogP3-AA	5.2
118371793	Mono_Isotopic_Weight	110.048012819
21187633	Isotope_Atom_Count	0
13961743	Defined_Bond_Stereo_Count	0
8037	Molecular_Weight	116.20
99816	Total_Formal_Charge	0
49803313	Non-hydrogen_Atom_Count	40
16131191	Hydrogen_Bond_Acceptor_Count	58
19089	Rotatable_Bond_Count	3
20206342	Molecular_Weight	83.09
90753995	Isotope_Atom_Count	0
150929	Covalent_Unit_Count	1
12760725	Total_Formal_Charge	0
7248	XLogP3	2.5
721	Total_Formal_Charge	0
5743	Total_Formal_Charge	0
3342768	Defined_Atom_Stereo_Count	0
3644637	XLogP3-AA	3.8
2146	Isotope_Atom_Count	0
2320	Undefined_Bond_Stereo_Count	1
93291	Defined_Bond_Stereo_Count	0
87713	Covalent_Unit_Count	1
70926	Undefined_Bond_Stereo_Count	0
15677	Mono_Isotopic_Weight	285.18008961
447029	Defined_Bond_Stereo_Count	0
118855925	Rotatable_Bond_Count	1
75690	Hydrogen_Bond_Acceptor_Count	3
5351457	Molecular_Weight	654.8
24900426	Isotope_Atom_Count	0
62583	Molecular_Weight	170.25
10221024	Defined_Bond_Stereo_Count	0
9832404	Hydrogen_Bond_Donor_Count	10
24987688	Mono_Isotopic_Weight	805.29141642
1057	Exact_Mass	126.031694049
8561	Tautomer_Count	1
131675085	Defined_Bond_Stereo_Count	0
11525	Isotope_Atom_Count	0
613144	Rotatable_Bond_Count	2
5359967	Mono_Isotopic_Weight	114.9038788
22020761	Rotatable_Bond_Count	2
11370864	Non-hydrogen_Atom_Count	21
28931	Undefined_Atom_Stereo_Count	1
5877292	TPSA	26.3
11170938	Hydrogen_Bond_Donor_Count	0
92781	Hydrogen_Bond_Acceptor_Count	6
23305495	Mono_Isotopic_Weight	665.30474055
22843	Defined_Bond_Stereo_Count	0
7370	Non-hydrogen_Atom_Count	10
71455340	Undefined_Atom_Stereo_Count	1
2044	Covalent_Unit_Count	1
29701	Total_Formal_Charge	0
60028369	Mono_Isotopic_Weight	153.151749610
11618	Non-hydrogen_Atom_Count	7
19471	Defined_Atom_Stereo_Count	0
824336	Hydrogen_Bond_Acceptor_Count	5
16590	Non-hydrogen_Atom_Count	8
20055089	Rotatable_Bond_Count	5
33498	Hydrogen_Bond_Donor_Count	2
137427383	Undefined_Bond_Stereo_Count	0
68700720	Structure_Complexity	66.7
135461939	Molecular_Weight	270.24
101567485	Non-hydrogen_Atom_Count	27
439551	XLogP3	0.2
312816	Undefined_Atom_Stereo_Count	6
53373584	Isotope_Atom_Count	0
72060	Non-hydrogen_Atom_Count	15
68895	XLogP3-AA	1.3
59601793	XLogP3-AA	1.2
274080	Non-hydrogen_Atom_Count	29
122706054	Hydrogen_Bond_Acceptor_Count	20
6442928	Mono_Isotopic_Weight	408.15326573
99071	Undefined_Atom_Stereo_Count	1
10772936	Undefined_Bond_Stereo_Count	0
96327588	Molecular_Weight	527.5
12729	Hydrogen_Bond_Acceptor_Count	2
157	Defined_Atom_Stereo_Count	0
13220194	TPSA	83.8
21251781	Mono_Isotopic_Weight	113.047678466
6917674	Mono_Isotopic_Weight	514.10931017
24848345	Undefined_Atom_Stereo_Count	2
12871376	XLogP3-AA	0.9
140659510	Rotatable_Bond_Count	1
3521	TPSA	179
7405	TPSA	66.4
12180	Non-hydrogen_Atom_Count	7
5284378	Rotatable_Bond_Count	4
12987	TPSA	0
22184652	Non-hydrogen_Atom_Count	36
6671	Non-hydrogen_Atom_Count	11
90479783	Non-hydrogen_Atom_Count	29
123588530	Undefined_Atom_Stereo_Count	0
11572	Mono_Isotopic_Weight	96.093900383
673	Hydrogen_Bond_Donor_Count	1
6392641	Non-hydrogen_Atom_Count	48
50989726	TPSA	26
9805635	Mono_Isotopic_Weight	491.23212518
94811	Covalent_Unit_Count	1
137944176	Mono_Isotopic_Weight	99.068413911
29971	Exact_Mass	102.079312947
13222108	Undefined_Bond_Stereo_Count	0
17778639	Non-hydrogen_Atom_Count	6
752609	Total_Formal_Charge	0
11680542	Covalent_Unit_Count	2
12648672	XLogP3-AA	0.4
57400037	Total_Formal_Charge	0
16395512	Hydrogen_Bond_Acceptor_Count	16
93192	Hydrogen_Bond_Donor_Count	2
82650946	Non-hydrogen_Atom_Count	8
21625926	Non-hydrogen_Atom_Count	7
53494828	Undefined_Bond_Stereo_Count	0
11527	Hydrogen_Bond_Donor_Count	1
23665647	Isotope_Atom_Count	0
136053758	TPSA	56.3
64033	Rotatable_Bond_Count	2
53473572	Molecular_Weight	542.4
24827	Mono_Isotopic_Weight	130.062994177
6999801	Molecular_Weight	102.17
6603828	Non-hydrogen_Atom_Count	26
31779	TPSA	101
7152	Molecular_Weight	177.16
50925404	Mono_Isotopic_Weight	442.08644461
79081	Total_Formal_Charge	0
6324103	Hydrogen_Bond_Acceptor_Count	2
118461690	Undefined_Atom_Stereo_Count	2
22836365	Structure_Complexity	151
20674	Total_Formal_Charge	0
124838013	Rotatable_Bond_Count	11
25142172	Total_Formal_Charge	0
57750420	Covalent_Unit_Count	1
66645351	Undefined_Bond_Stereo_Count	0
10077129	Undefined_Bond_Stereo_Count	0
636523	Structure_Complexity	358
2518	Rotatable_Bond_Count	2
133613144	Hydrogen_Bond_Donor_Count	3
123208701	Undefined_Atom_Stereo_Count	3
115071571	Structure_Complexity	94.7
1877	Non-hydrogen_Atom_Count	24
73885	Non-hydrogen_Atom_Count	7
14265921	Undefined_Bond_Stereo_Count	0
62766	Total_Formal_Charge	0
76968505	Molecular_Weight	325.9
6056	Exact_Mass	135.104799419
135438608	Defined_Atom_Stereo_Count	1
21330	Mono_Isotopic_Weight	267.05652907
2655	TPSA	201
15626755	Molecular_Weight	112.13
57514685	Undefined_Bond_Stereo_Count	0
9892539	Defined_Atom_Stereo_Count	0
151255	Molecular_Weight	141.12
3580	Defined_Bond_Stereo_Count	0
9543050	Defined_Bond_Stereo_Count	1
11210173	Isotope_Atom_Count	0
58962911	Isotope_Atom_Count	0
6723	Isotope_Atom_Count	0
6828291	Total_Formal_Charge	0
79619	Mono_Isotopic_Weight	157.052763847
12512794	Molecular_Weight	94.15
57461895	Defined_Bond_Stereo_Count	0
644019	Molecular_Weight	314.5
4548	Defined_Atom_Stereo_Count	0
155290	Total_Formal_Charge	0
74353448	XLogP3-AA	2.9
443880	Total_Formal_Charge	0
10866282	Molecular_Weight	110.15
135401234	Hydrogen_Bond_Acceptor_Count	8
69335004	Defined_Bond_Stereo_Count	0
709430	Mono_Isotopic_Weight	267.09291458
12472902	Non-hydrogen_Atom_Count	18
398637	Non-hydrogen_Atom_Count	28
152754843	Total_Formal_Charge	0
135761165	Undefined_Atom_Stereo_Count	0
13587	Hydrogen_Bond_Donor_Count	0
101001097	Covalent_Unit_Count	1
10429739	XLogP3-AA	3.9
281135	Isotope_Atom_Count	0
122198140	Undefined_Bond_Stereo_Count	0
66751253	Defined_Atom_Stereo_Count	0
75443	Undefined_Bond_Stereo_Count	0
6992028	Molecular_Weight	416.5
96395	Total_Formal_Charge	0
132779642	Molecular_Weight	457.4
126624267	TPSA	190
21859	Undefined_Bond_Stereo_Count	0
7097	Undefined_Atom_Stereo_Count	0
10432339	Hydrogen_Bond_Acceptor_Count	6
16662	XLogP3-AA	4.5
9848989	TPSA	62.2
84866	Non-hydrogen_Atom_Count	14
62384	Molecular_Weight	116.16
8383	Undefined_Atom_Stereo_Count	0
12048	Rotatable_Bond_Count	3
26156	XLogP3-AA	1.6
3638	Hydrogen_Bond_Acceptor_Count	4
69732358	Hydrogen_Bond_Donor_Count	1
5459377	Molecular_Weight	677.9
4479095	Exact_Mass	596.8033
23663412	Structure_Complexity	819
66612869	Structure_Complexity	90.4
24860971	Structure_Complexity	410
19385892	Exact_Mass	88.100048391
86736	Undefined_Bond_Stereo_Count	0
3035442	Defined_Atom_Stereo_Count	2
6000	Covalent_Unit_Count	1
70545463	Defined_Atom_Stereo_Count	0
69260851	TPSA	53
56955933	Mono_Isotopic_Weight	79.9687389
3249988	Covalent_Unit_Count	1
146280151	Non-hydrogen_Atom_Count	8
87280117	Structure_Complexity	94.4
11421	Defined_Bond_Stereo_Count	0
1176	Undefined_Bond_Stereo_Count	0
8590	Total_Formal_Charge	0
130122059	Total_Formal_Charge	0
445715	Total_Formal_Charge	0
64617	Isotope_Atom_Count	0
22817455	Defined_Atom_Stereo_Count	4
161988362	XLogP3-AA	1.6
12219859	Non-hydrogen_Atom_Count	8
642799	Mono_Isotopic_Weight	170.96836
136505	Mono_Isotopic_Weight	102.068079557
439186	Non-hydrogen_Atom_Count	23
6365145	Total_Formal_Charge	0
11503692	Undefined_Bond_Stereo_Count	0
5619	TPSA	23.6
21835817	Non-hydrogen_Atom_Count	7
2790	XLogP3-AA	3
135408511	XLogP3-AA	4.5
20312691	TPSA	53.3
3385	Molecular_Weight	130.08
137349207	Mono_Isotopic_Weight	363.13830499
14909248	Hydrogen_Bond_Acceptor_Count	1
147577	Molecular_Weight	400.6
160435	Rotatable_Bond_Count	0
89664	Structure_Complexity	215
93205	Molecular_Weight	385.4
28467	Non-hydrogen_Atom_Count	16
53415109	Undefined_Bond_Stereo_Count	1
197835	Total_Formal_Charge	0
44571147	XLogP3-AA	3.4
11863	TPSA	0
12544790	Hydrogen_Bond_Acceptor_Count	1
29228	Defined_Atom_Stereo_Count	0
14133354	Mono_Isotopic_Weight	98.036779430
5281771	Molecular_Weight	786.7
42614	Molecular_Weight	198.18
214339	XLogP3-AA	4
14798	Defined_Atom_Stereo_Count	0
12375523	Molecular_Weight	100.16
760021	Exact_Mass	229.110278721
154342	XLogP3	2.9
149798	Isotope_Atom_Count	0
46883936	Undefined_Bond_Stereo_Count	0
70969	TPSA	26
146170507	Undefined_Atom_Stereo_Count	0
47170034	Total_Formal_Charge	0
17963347	Rotatable_Bond_Count	5
10430619	XLogP3	1.9
135522261	Defined_Bond_Stereo_Count	0
76969110	Mono_Isotopic_Weight	1140.59812858
15208461	Undefined_Bond_Stereo_Count	0
5388949	Total_Formal_Charge	0
1068	Structure_Complexity	2.8
7026	Hydrogen_Bond_Acceptor_Count	4
2933256	Hydrogen_Bond_Acceptor_Count	1
10907	Mono_Isotopic_Weight	114.140850574
15197399	Defined_Atom_Stereo_Count	0
50990560	Defined_Atom_Stereo_Count	18
429095	Structure_Complexity	198
20087060	Defined_Bond_Stereo_Count	0
453958	Hydrogen_Bond_Acceptor_Count	3
15394	Hydrogen_Bond_Acceptor_Count	1
12978170	Molecular_Weight	96.17
59082722	Isotope_Atom_Count	0
360901	Structure_Complexity	988
13184	XLogP3	4.5
20861	Non-hydrogen_Atom_Count	10
71449857	Molecular_Weight	477.4
94215	Non-hydrogen_Atom_Count	8
20054887	Defined_Atom_Stereo_Count	15
89137	Defined_Atom_Stereo_Count	0
26176	Hydrogen_Bond_Donor_Count	0
12939	Exact_Mass	348.24129289
224833	Rotatable_Bond_Count	2
7043897	Structure_Complexity	151
91746262	Exact_Mass	342.11621151
25207583	Defined_Atom_Stereo_Count	0
97035	Defined_Atom_Stereo_Count	0
590908	Total_Formal_Charge	0
52905	Undefined_Atom_Stereo_Count	0
6607	Rotatable_Bond_Count	1
71727581	Hydrogen_Bond_Donor_Count	2
1574	TPSA	62
71399	Exact_Mass	445.1404486
132779642	Total_Formal_Charge	0
632835	Mono_Isotopic_Weight	370.10525291
91666323	Exact_Mass	216.02459690
18521191	Exact_Mass	97.089149355
12758013	Undefined_Bond_Stereo_Count	0
6566	Structure_Complexity	22.9
21226398	Non-hydrogen_Atom_Count	7
12374	Hydrogen_Bond_Acceptor_Count	2
5362457	Molecular_Weight	585.8
61953	Covalent_Unit_Count	1
25023847	Molecular_Weight	419.8
12617365	Exact_Mass	415.0741989
77751	Defined_Bond_Stereo_Count	0
3468	XLogP3-AA	4.9
12497562	Defined_Bond_Stereo_Count	0
11534927	Hydrogen_Bond_Acceptor_Count	7
2723704	Hydrogen_Bond_Acceptor_Count	1
65079	Covalent_Unit_Count	1
21910271	Undefined_Atom_Stereo_Count	0
141672	Structure_Complexity	55.2
61524	Defined_Bond_Stereo_Count	0
27531	Tautomer_Count	4
134824657	Defined_Bond_Stereo_Count	0
19418150	Hydrogen_Bond_Acceptor_Count	0
53493353	Rotatable_Bond_Count	1
79316	Structure_Complexity	245
11285	Isotope_Atom_Count	0
49856296	Defined_Atom_Stereo_Count	0
570603	Molecular_Weight	106.13
25164108	Total_Formal_Charge	0
69317	Mono_Isotopic_Weight	246.05369279
71897	Non-hydrogen_Atom_Count	21
18879	Defined_Atom_Stereo_Count	3
9898801	Defined_Bond_Stereo_Count	0
5362858	Exact_Mass	101.084063974
159755	Rotatable_Bond_Count	3
175534	Undefined_Bond_Stereo_Count	0
57928403	Structure_Complexity	525
10341	Hydrogen_Bond_Acceptor_Count	2
440577	Isotope_Atom_Count	0
129636345	Non-hydrogen_Atom_Count	22
693315	Rotatable_Bond_Count	5
68100796	Undefined_Bond_Stereo_Count	0
65662	XLogP3-AA	2.7
35922	Mono_Isotopic_Weight	301.14780704
17982851	Rotatable_Bond_Count	0
53895	Defined_Bond_Stereo_Count	0
135564751	Structure_Complexity	737
12647151	Structure_Complexity	118
6926437	Covalent_Unit_Count	1
11954236	Isotope_Atom_Count	0
11188898	Hydrogen_Bond_Acceptor_Count	6
11417954	Isotope_Atom_Count	0
11450	XLogP3	3.3
22817455	Isotope_Atom_Count	0
90898717	Rotatable_Bond_Count	0
1849	Non-hydrogen_Atom_Count	31
10324367	XLogP3-AA	3.1
26865	Rotatable_Bond_Count	3
71470	Exact_Mass	518.26798174
28343	Non-hydrogen_Atom_Count	8
42552713	Undefined_Bond_Stereo_Count	0
24900937	Defined_Bond_Stereo_Count	0
162955687	Defined_Atom_Stereo_Count	10
586	Hydrogen_Bond_Acceptor_Count	3
687034	Covalent_Unit_Count	1
69908	Total_Formal_Charge	0
101921	Defined_Bond_Stereo_Count	0
135743681	Rotatable_Bond_Count	2
12715	Isotope_Atom_Count	0
85551668	Defined_Atom_Stereo_Count	0
9874248	Covalent_Unit_Count	1
6536825	Non-hydrogen_Atom_Count	13
23151260	Covalent_Unit_Count	1
88533	Defined_Atom_Stereo_Count	0
123942782	Undefined_Bond_Stereo_Count	0
55329	Mono_Isotopic_Weight	263.17461031
176870	TPSA	74.7
66826	Total_Formal_Charge	0
22960	Isotope_Atom_Count	0
20701649	Undefined_Atom_Stereo_Count	1
244	Covalent_Unit_Count	1
274412	Non-hydrogen_Atom_Count	8
5281032	Undefined_Bond_Stereo_Count	0
22612	Hydrogen_Bond_Donor_Count	2
63409	Total_Formal_Charge	0
132469488	Structure_Complexity	1220
53846420	XLogP3-AA	5.1
45934310	Hydrogen_Bond_Donor_Count	5
104163	Hydrogen_Bond_Donor_Count	2
13445117	Rotatable_Bond_Count	1
87081618	Defined_Atom_Stereo_Count	0
3052775	Defined_Bond_Stereo_Count	0
10931394	Defined_Bond_Stereo_Count	0
91593	Undefined_Bond_Stereo_Count	0
23311753	Undefined_Atom_Stereo_Count	2
5659	Rotatable_Bond_Count	15
64510	Hydrogen_Bond_Acceptor_Count	4
123385	Defined_Atom_Stereo_Count	0
64666310	Non-hydrogen_Atom_Count	8
448055	Hydrogen_Bond_Donor_Count	1
22419332	Structure_Complexity	137
4764	Undefined_Atom_Stereo_Count	0
148763531	Mono_Isotopic_Weight	107.048347172
10417847	Defined_Bond_Stereo_Count	0
11137085	Undefined_Bond_Stereo_Count	0
158781	Total_Formal_Charge	0
16682930	Mono_Isotopic_Weight	114.0989139
17435	Undefined_Bond_Stereo_Count	0
9916	Hydrogen_Bond_Acceptor_Count	3
5789	Rotatable_Bond_Count	2
101304	Defined_Atom_Stereo_Count	0
71308614	Rotatable_Bond_Count	18
155346	Hydrogen_Bond_Donor_Count	3
91486	Isotope_Atom_Count	0
24901349	Covalent_Unit_Count	1
8177	Exact_Mass	162.125594432
44134719	Hydrogen_Bond_Acceptor_Count	8
4160	Hydrogen_Bond_Acceptor_Count	2
8280	XLogP3-AA	0.8
57123750	Non-hydrogen_Atom_Count	85
23080870	Hydrogen_Bond_Donor_Count	0
47703	Structure_Complexity	264
10349	Undefined_Bond_Stereo_Count	0
66965363	Tautomer_Count	53
74802	Non-hydrogen_Atom_Count	11
643327	Total_Formal_Charge	0
5320191	Molecular_Weight	140.22
31423	Non-hydrogen_Atom_Count	16
3002003	Non-hydrogen_Atom_Count	24
135418940	Structure_Complexity	505
56991328	Defined_Bond_Stereo_Count	0
131954608	Non-hydrogen_Atom_Count	46
55261	Undefined_Atom_Stereo_Count	0
5280335	Tautomer_Count	1
10895019	Covalent_Unit_Count	1
436520	TPSA	3.2
5282796	Covalent_Unit_Count	1
86322	Total_Formal_Charge	0
20485906	Undefined_Bond_Stereo_Count	0
60196391	Defined_Bond_Stereo_Count	0
5742673	Defined_Atom_Stereo_Count	2
408536	Molecular_Weight	512.6
12250944	Defined_Bond_Stereo_Count	0
25418	Total_Formal_Charge	0
47510	Hydrogen_Bond_Donor_Count	3
62683	Defined_Bond_Stereo_Count	0
2673	XLogP3	0.4
38035	Hydrogen_Bond_Acceptor_Count	0
11040651	Defined_Atom_Stereo_Count	0
13699300	Hydrogen_Bond_Donor_Count	0
128820	Defined_Atom_Stereo_Count	0
44558536	Mono_Isotopic_Weight	373.1808568
135722088	TPSA	44.7
24900749	Defined_Atom_Stereo_Count	1
4274588	TPSA	69.6
57521	Defined_Atom_Stereo_Count	0
101012	Mono_Isotopic_Weight	220.98165005
4947	Undefined_Atom_Stereo_Count	0
131287	Undefined_Bond_Stereo_Count	0
2691	XLogP3-AA	0.5
5475462	Non-hydrogen_Atom_Count	11
49855492	Non-hydrogen_Atom_Count	27
123377064	Non-hydrogen_Atom_Count	8
54493962	Undefined_Atom_Stereo_Count	0
55287187	Undefined_Atom_Stereo_Count	0
10470475	Hydrogen_Bond_Donor_Count	1
67805120	Exact_Mass	96.093900383
23039782	Covalent_Unit_Count	1
12885790	TPSA	37.4
92879	Exact_Mass	378.12494298
54278701	Defined_Atom_Stereo_Count	0
20727	Undefined_Atom_Stereo_Count	0
73425066	Undefined_Atom_Stereo_Count	0
102430914	Undefined_Bond_Stereo_Count	0
44629654	Undefined_Atom_Stereo_Count	0
731747	Hydrogen_Bond_Donor_Count	2
146159249	XLogP3-AA	4.1
53032	Structure_Complexity	491
69862751	Non-hydrogen_Atom_Count	10
9270	Exact_Mass	384.23005950
77241	Undefined_Bond_Stereo_Count	0
236487	Isotope_Atom_Count	0
55256	Tautomer_Count	3
22918788	Exact_Mass	88.052429494
686	Mono_Isotopic_Weight	548.08084212
138753050	Structure_Complexity	457
12725	Isotope_Atom_Count	0
11526038	Total_Formal_Charge	0
36084	Undefined_Atom_Stereo_Count	0
6843	XLogP3	3.1
4764	Defined_Atom_Stereo_Count	0
54684598	Structure_Complexity	502
13348002	Undefined_Bond_Stereo_Count	0
228430	Undefined_Bond_Stereo_Count	0
20342	Isotope_Atom_Count	0
8042	Hydrogen_Bond_Acceptor_Count	2
19789137	Rotatable_Bond_Count	1
56625	XLogP3-AA	3.1
106999	Undefined_Bond_Stereo_Count	0
6276	Hydrogen_Bond_Acceptor_Count	1
630689	Molecular_Weight	336.4
6331630	Defined_Bond_Stereo_Count	0
62066	Rotatable_Bond_Count	5
86876	Non-hydrogen_Atom_Count	12
135801111	Structure_Complexity	834
9887304	Rotatable_Bond_Count	3
10773310	Exact_Mass	163.110947427
53323370	Exact_Mass	498.1113126
31265	Hydrogen_Bond_Acceptor_Count	2
97234	TPSA	74.5
130471	Non-hydrogen_Atom_Count	26
45380791	Hydrogen_Bond_Acceptor_Count	7
2115	Molecular_Weight	224.15
104818	Total_Formal_Charge	0
83795	Mono_Isotopic_Weight	128.094963011
7280190	Undefined_Bond_Stereo_Count	0
60983	Molecular_Weight	128.17
449215	Non-hydrogen_Atom_Count	7
12260	XLogP3-AA	3.1
3741048	Undefined_Atom_Stereo_Count	0
23513454	Total_Formal_Charge	0
57023262	Hydrogen_Bond_Acceptor_Count	2
3763607	Defined_Bond_Stereo_Count	0
11325699	Rotatable_Bond_Count	6
725	Tautomer_Count	1
6453	Total_Formal_Charge	0
40807	Mono_Isotopic_Weight	428.04604121
66591148	Total_Formal_Charge	0
447227	Molecular_Weight	276.35
23662389	Molecular_Weight	361.31
737375	Exact_Mass	166.05646950
21778241	Undefined_Bond_Stereo_Count	0
656635	Hydrogen_Bond_Donor_Count	4
21661222	Molecular_Weight	117.10
44565777	Exact_Mass	262.15420922
5375200	Undefined_Bond_Stereo_Count	0
135659024	Total_Formal_Charge	0
129760006	Total_Formal_Charge	0
10334	Mono_Isotopic_Weight	156.00674260
442436	Covalent_Unit_Count	1
13760528	Total_Formal_Charge	0
3778	Mono_Isotopic_Weight	230.141913202
4438527	Covalent_Unit_Count	1
3047787	XLogP3-AA	4.2
628999	Undefined_Bond_Stereo_Count	0
7785	Hydrogen_Bond_Donor_Count	0
1535935	Rotatable_Bond_Count	2
15950086	Undefined_Bond_Stereo_Count	0
5289024	Covalent_Unit_Count	1
147895	XLogP3	2.2
81530	Undefined_Atom_Stereo_Count	0
27211	TPSA	20.3
69046	Structure_Complexity	284
33068	Exact_Mass	360.80944
7915	XLogP3-AA	0.9
124486	Hydrogen_Bond_Acceptor_Count	5
87155	Molecular_Weight	178.18
70687387	Isotope_Atom_Count	0
54239709	Isotope_Atom_Count	0
5177	Structure_Complexity	747
23394557	Total_Formal_Charge	0
23368	Total_Formal_Charge	0
22078	Hydrogen_Bond_Acceptor_Count	2
443867	Non-hydrogen_Atom_Count	25
16218600	Hydrogen_Bond_Acceptor_Count	6
7643	Hydrogen_Bond_Donor_Count	0
2560481	Total_Formal_Charge	0
132252	Molecular_Weight	384.2
14872190	Defined_Bond_Stereo_Count	0
41022	Undefined_Atom_Stereo_Count	1
1549237	Defined_Atom_Stereo_Count	0
21122483	Structure_Complexity	176
3055168	Hydrogen_Bond_Acceptor_Count	6
323004	Undefined_Bond_Stereo_Count	0
5748217	Non-hydrogen_Atom_Count	33
13031981	Exact_Mass	101.084063974
5506	Hydrogen_Bond_Acceptor_Count	2
7312	Molecular_Weight	163.69
250457	TPSA	43.4
550655	Hydrogen_Bond_Donor_Count	0
18646844	Hydrogen_Bond_Acceptor_Count	11
10606708	Defined_Atom_Stereo_Count	0
137326482	Undefined_Atom_Stereo_Count	0
698364	Undefined_Bond_Stereo_Count	0
1549133	Undefined_Atom_Stereo_Count	0
23669619	Undefined_Bond_Stereo_Count	0
54675866	Defined_Bond_Stereo_Count	0
737374	Isotope_Atom_Count	0
28620	Exact_Mass	942.48243013
142798	Total_Formal_Charge	0
1878	TPSA	61.8
15950086	Exact_Mass	396.15101554
148007841	Hydrogen_Bond_Acceptor_Count	1
124328800	Non-hydrogen_Atom_Count	36
5241	Total_Formal_Charge	0
27447	Isotope_Atom_Count	0
10153996	TPSA	24.6
6420050	Exact_Mass	341.1605153
24409	Undefined_Atom_Stereo_Count	0
23079882	Total_Formal_Charge	0
60196340	XLogP3-AA	1.8
12563	Tautomer_Count	1
24857598	Hydrogen_Bond_Donor_Count	0
44237	Defined_Bond_Stereo_Count	0
5147171	Defined_Atom_Stereo_Count	1
135472946	Undefined_Bond_Stereo_Count	0
4302960	Undefined_Atom_Stereo_Count	0
9465	Exact_Mass	183.06955672
67375395	TPSA	103
1499	XLogP3-AA	3.4
123628273	Defined_Bond_Stereo_Count	0
11595	Total_Formal_Charge	0
11717001	Total_Formal_Charge	0
63002	Hydrogen_Bond_Donor_Count	4
816	Isotope_Atom_Count	0
70690636	Non-hydrogen_Atom_Count	29
12993402	Structure_Complexity	351
68016611	Covalent_Unit_Count	1
5271566	Defined_Atom_Stereo_Count	0
132274234	Exact_Mass	1608.51510
52940915	TPSA	67.9
58438464	XLogP3-AA	4.4
8193	Hydrogen_Bond_Acceptor_Count	1
44264589	Covalent_Unit_Count	1
20560	Tautomer_Count	2
163781	Rotatable_Bond_Count	39
22833395	Molecular_Weight	198.30
11194307	XLogP3-AA	2.5
148202	Undefined_Atom_Stereo_Count	0
317459	Mono_Isotopic_Weight	114.104465066
75921	Non-hydrogen_Atom_Count	16
54936	Covalent_Unit_Count	1
9841972	XLogP3-AA	0.9
35489	Mono_Isotopic_Weight	359.010743
14066	Non-hydrogen_Atom_Count	7
5327159	Covalent_Unit_Count	1
85296	Exact_Mass	147.08301860
52141942	Non-hydrogen_Atom_Count	8
86389	Defined_Bond_Stereo_Count	0
161765303	Isotope_Atom_Count	0
10113978	Hydrogen_Bond_Donor_Count	2
441979	Mono_Isotopic_Weight	348.14739250
5359367	Undefined_Atom_Stereo_Count	0
17880	Molecular_Weight	680.7
83800	Undefined_Bond_Stereo_Count	0
129664338	Rotatable_Bond_Count	1
5282229	Undefined_Bond_Stereo_Count	0
609	Covalent_Unit_Count	1
15072744	XLogP3-AA	3
6369388	Non-hydrogen_Atom_Count	20
14180	Hydrogen_Bond_Acceptor_Count	8
11721	Hydrogen_Bond_Donor_Count	0
5281416	Isotope_Atom_Count	0
131878633	Covalent_Unit_Count	1
11697219	Rotatable_Bond_Count	7
7209	Non-hydrogen_Atom_Count	37
53672	Hydrogen_Bond_Acceptor_Count	10
54487968	Mono_Isotopic_Weight	110.109550447
21954793	Defined_Bond_Stereo_Count	0
11450633	Covalent_Unit_Count	1
5369129	Hydrogen_Bond_Donor_Count	0
22132384	Undefined_Bond_Stereo_Count	0
54350955	Non-hydrogen_Atom_Count	8
75472	Hydrogen_Bond_Donor_Count	1
1012812	Structure_Complexity	467
6327546	Rotatable_Bond_Count	4
7580	Exact_Mass	168.093900383
118505252	Structure_Complexity	113
3821	Undefined_Bond_Stereo_Count	0
9907412	Hydrogen_Bond_Acceptor_Count	4
11061169	Total_Formal_Charge	0
296732	Mono_Isotopic_Weight	220.100048391
5881	Undefined_Atom_Stereo_Count	0
4391	Mono_Isotopic_Weight	260.08307817
16657	Molecular_Weight	98.19
41092	Molecular_Weight	138.21
129317852	Isotope_Atom_Count	0
8972	Hydrogen_Bond_Donor_Count	1
16131448	Molecular_Weight	1809.0
13463348	Undefined_Bond_Stereo_Count	0
133741	Isotope_Atom_Count	0
41114	Exact_Mass	515.1823134
80871	Covalent_Unit_Count	1
128872	Defined_Atom_Stereo_Count	0
638026	Rotatable_Bond_Count	4
3945	Defined_Atom_Stereo_Count	0
437721	Isotope_Atom_Count	0
91742	Rotatable_Bond_Count	7
97597	Total_Formal_Charge	0
50	Total_Formal_Charge	0
4020	Isotope_Atom_Count	0
285666	Tautomer_Count	5
75258	Hydrogen_Bond_Acceptor_Count	10
44392167	Undefined_Atom_Stereo_Count	0
22234	Isotope_Atom_Count	0
58376271	Rotatable_Bond_Count	3
7215	Exact_Mass	264.07886217
164509	XLogP3-AA	2.7
8852	Covalent_Unit_Count	1
59350891	Exact_Mass	92.062600255
5309446	Mono_Isotopic_Weight	361.1112531
67273	Isotope_Atom_Count	0
19738210	Hydrogen_Bond_Donor_Count	1
50009	Undefined_Atom_Stereo_Count	0
22055193	Hydrogen_Bond_Acceptor_Count	2
449424	Rotatable_Bond_Count	7
7939	Hydrogen_Bond_Donor_Count	1
683563	Hydrogen_Bond_Donor_Count	1
233916	Covalent_Unit_Count	1
25457	Isotope_Atom_Count	0
3649	Defined_Atom_Stereo_Count	0
13159	Non-hydrogen_Atom_Count	7
25261	Tautomer_Count	1
34768	Undefined_Atom_Stereo_Count	0
10297982	Hydrogen_Bond_Donor_Count	3
74195	Hydrogen_Bond_Acceptor_Count	0
88578918	Undefined_Atom_Stereo_Count	0
5470	Exact_Mass	312.208930132
87355672	TPSA	64.2
71724	Hydrogen_Bond_Acceptor_Count	8
12648080	TPSA	39.4
28486	Mono_Isotopic_Weight	7.01600343
17004	Covalent_Unit_Count	1
2583694	Rotatable_Bond_Count	4
15374	Hydrogen_Bond_Acceptor_Count	2
964856	Defined_Bond_Stereo_Count	0
445039	Hydrogen_Bond_Acceptor_Count	8
72200865	Rotatable_Bond_Count	12
83193	Non-hydrogen_Atom_Count	10
10758834	Covalent_Unit_Count	1
57642301	Undefined_Atom_Stereo_Count	2
1189	Non-hydrogen_Atom_Count	20
53595	Hydrogen_Bond_Donor_Count	2
625295	Undefined_Bond_Stereo_Count	0
59859430	Non-hydrogen_Atom_Count	23
12285863	Rotatable_Bond_Count	1
443376	Molecular_Weight	1101.3
123133923	Molecular_Weight	178.14
11817188	TPSA	20.2
3084014	Hydrogen_Bond_Donor_Count	4
85753355	Hydrogen_Bond_Acceptor_Count	2
16760374	Isotope_Atom_Count	0
60795	Total_Formal_Charge	0
77259647	Covalent_Unit_Count	1
86101	XLogP3	2.1
30550	Structure_Complexity	651
123173	Defined_Atom_Stereo_Count	0
65918814	Isotope_Atom_Count	0
21537113	Structure_Complexity	98.2
17275	Hydrogen_Bond_Acceptor_Count	2
124316	Defined_Bond_Stereo_Count	0
3033017	Exact_Mass	242.10889899
19734140	Defined_Bond_Stereo_Count	0
44310775	Defined_Atom_Stereo_Count	2
77160509	Mono_Isotopic_Weight	85.089149355
56666742	Isotope_Atom_Count	0
14536436	Isotope_Atom_Count	0
58002108	Undefined_Bond_Stereo_Count	0
6323491	Molecular_Weight	364.8
11383075	Undefined_Atom_Stereo_Count	0
74406	Structure_Complexity	147
9804496	Total_Formal_Charge	0
23729666	Exact_Mass	386.2124913
83864777	Rotatable_Bond_Count	0
15561101	Hydrogen_Bond_Donor_Count	1
45479834	Defined_Bond_Stereo_Count	0
20392430	Undefined_Atom_Stereo_Count	1
45039680	Total_Formal_Charge	0
65487	Exact_Mass	571.30647189
15559658	TPSA	12
10645	Total_Formal_Charge	0
133687604	Defined_Bond_Stereo_Count	0
60139	TPSA	432
141168949	Rotatable_Bond_Count	1
691409	Isotope_Atom_Count	0
5289547	Molecular_Weight	344.5
4595	Undefined_Bond_Stereo_Count	0
903675	Rotatable_Bond_Count	4
4615423	Non-hydrogen_Atom_Count	12
10553	Isotope_Atom_Count	0
3083540	Undefined_Atom_Stereo_Count	1
90943273	Hydrogen_Bond_Acceptor_Count	2
69480	Hydrogen_Bond_Donor_Count	0
3048	Total_Formal_Charge	0
49869877	Undefined_Bond_Stereo_Count	0
59116084	TPSA	90.2
97860	Hydrogen_Bond_Acceptor_Count	3
1479	Non-hydrogen_Atom_Count	24
71371762	Molecular_Weight	96.13
66624434	Hydrogen_Bond_Acceptor_Count	4
83803459	Non-hydrogen_Atom_Count	8
62802	Non-hydrogen_Atom_Count	16
9807	Hydrogen_Bond_Donor_Count	0
329061	Rotatable_Bond_Count	4
47294	Hydrogen_Bond_Acceptor_Count	4
40172	Tautomer_Count	1
439302	Molecular_Weight	1007.2
49997	Non-hydrogen_Atom_Count	26
163285106	XLogP3-AA	6.8
5078130	Defined_Atom_Stereo_Count	0
9795291	Exact_Mass	265.09866828
129395999	Molecular_Weight	293.4
58506875	Total_Formal_Charge	0
6437064	Mono_Isotopic_Weight	688.39751874
136729	Hydrogen_Bond_Donor_Count	0
230920	XLogP3	2.7
107250	Hydrogen_Bond_Acceptor_Count	3
12540922	Rotatable_Bond_Count	0
71344821	Undefined_Atom_Stereo_Count	1
4460	Undefined_Atom_Stereo_Count	11
16667736	Hydrogen_Bond_Donor_Count	2
56666742	TPSA	108
6977166	Hydrogen_Bond_Acceptor_Count	1
9843640	Total_Formal_Charge	0
44596198	Hydrogen_Bond_Acceptor_Count	9
87292009	Total_Formal_Charge	0
8679	Defined_Atom_Stereo_Count	0
4141783	Mono_Isotopic_Weight	288.175224706
13867380	Mono_Isotopic_Weight	113.00884817
59771	Hydrogen_Bond_Acceptor_Count	4
78284	Molecular_Weight	132.59
76590	Isotope_Atom_Count	0
381117	Mono_Isotopic_Weight	272.03679668
57481197	Total_Formal_Charge	0
118177912	Hydrogen_Bond_Acceptor_Count	1
13814	Rotatable_Bond_Count	5
7959	Defined_Bond_Stereo_Count	0
131287	Undefined_Atom_Stereo_Count	0
89716251	Exact_Mass	113.084063974
33874	Covalent_Unit_Count	1
13078198	Covalent_Unit_Count	1
411312	Undefined_Bond_Stereo_Count	0
92879	Rotatable_Bond_Count	6
41583	Hydrogen_Bond_Acceptor_Count	4
3073200	Defined_Bond_Stereo_Count	0
123942782	Defined_Atom_Stereo_Count	0
123804812	TPSA	0
22154890	Hydrogen_Bond_Acceptor_Count	0
71068	Mono_Isotopic_Weight	344.07970687
20782632	Total_Formal_Charge	0
75634	Non-hydrogen_Atom_Count	7
72886	Molecular_Weight	169.16
132598553	TPSA	27.6
893673	Defined_Atom_Stereo_Count	0
163988282	Non-hydrogen_Atom_Count	8
43594	Isotope_Atom_Count	0
65474	Mono_Isotopic_Weight	338.1583477
65601	Undefined_Atom_Stereo_Count	0
10954241	Isotope_Atom_Count	6
24848201	Structure_Complexity	260
19687	Undefined_Atom_Stereo_Count	0
137993	Isotope_Atom_Count	0
11983869	Covalent_Unit_Count	1
16737690	Exact_Mass	646.18213833
16204922	Structure_Complexity	508
6335	Undefined_Bond_Stereo_Count	0
40579125	Hydrogen_Bond_Donor_Count	0
12229743	Total_Formal_Charge	0
19731	Rotatable_Bond_Count	4
3239235	Hydrogen_Bond_Donor_Count	2
683253	Undefined_Bond_Stereo_Count	0
5280497	XLogP3-AA	3.4
5051	Rotatable_Bond_Count	11
9543050	TPSA	426
12729	Undefined_Atom_Stereo_Count	0
77245	Molecular_Weight	206.28
17405	TPSA	142
41596	Hydrogen_Bond_Donor_Count	2
35367	Mono_Isotopic_Weight	112.125200510
29359	Undefined_Bond_Stereo_Count	0
779642	Covalent_Unit_Count	1
21455617	Rotatable_Bond_Count	0
22720	Mono_Isotopic_Weight	103.099714038
68861	Undefined_Atom_Stereo_Count	0
522325	Defined_Atom_Stereo_Count	0
35492	Isotope_Atom_Count	0
18402	Rotatable_Bond_Count	4
163900	Defined_Atom_Stereo_Count	0
5386	Defined_Bond_Stereo_Count	0
767951	Undefined_Bond_Stereo_Count	0
117715670	Exact_Mass	382.0754060
11281445	Rotatable_Bond_Count	7
18431843	Hydrogen_Bond_Donor_Count	0
11200	Hydrogen_Bond_Acceptor_Count	0
21631	Undefined_Bond_Stereo_Count	0
3607724	Hydrogen_Bond_Donor_Count	1
2443	Exact_Mass	653.22128
65546	Rotatable_Bond_Count	3
10868	Non-hydrogen_Atom_Count	15
102488279	Hydrogen_Bond_Donor_Count	0
446411	Molecular_Weight	414.5
154417	Non-hydrogen_Atom_Count	21
69803	Non-hydrogen_Atom_Count	12
2743	Hydrogen_Bond_Donor_Count	1
11640298	Isotope_Atom_Count	0
3330	Non-hydrogen_Atom_Count	18
53801928	Total_Formal_Charge	0
3575	Covalent_Unit_Count	1
48870	TPSA	73.1
40467008	Mono_Isotopic_Weight	363.10146788
81237	Undefined_Atom_Stereo_Count	0
6323264	Total_Formal_Charge	0
443310	Mono_Isotopic_Weight	852.38063989
4992033	Structure_Complexity	111
80472094	Undefined_Bond_Stereo_Count	0
141678430	Mono_Isotopic_Weight	342.11621151
22401764	Undefined_Atom_Stereo_Count	0
21778241	Undefined_Atom_Stereo_Count	0
89737	Total_Formal_Charge	0
74732	Hydrogen_Bond_Acceptor_Count	3
53674114	Covalent_Unit_Count	1
3082460	Molecular_Weight	360.31
219104	Structure_Complexity	111
201734	Rotatable_Bond_Count	1
11597698	Rotatable_Bond_Count	8
115236	Undefined_Atom_Stereo_Count	0
70690020	TPSA	68.2
6420019	Hydrogen_Bond_Acceptor_Count	2
53346496	Defined_Bond_Stereo_Count	0
17043	Total_Formal_Charge	0
65394	Isotope_Atom_Count	0
9984441	Defined_Atom_Stereo_Count	3
66553195	Molecular_Weight	386.6
122706434	Defined_Atom_Stereo_Count	10
638011	Covalent_Unit_Count	1
13327304	Defined_Atom_Stereo_Count	0
50993881	TPSA	117
35717	Structure_Complexity	235
1970	Total_Formal_Charge	0
139595131	Structure_Complexity	756
3312	Undefined_Bond_Stereo_Count	4
16063245	Mono_Isotopic_Weight	530.17904181
13546	Exact_Mass	114.068079557
53678703	Non-hydrogen_Atom_Count	8
72014	XLogP3	0.9
146158371	Hydrogen_Bond_Acceptor_Count	10
352309	Exact_Mass	273.266779359
59390227	Hydrogen_Bond_Acceptor_Count	6
16295	Mono_Isotopic_Weight	148.125200510
60702533	Undefined_Bond_Stereo_Count	0
13532837	Total_Formal_Charge	0
10537	Undefined_Bond_Stereo_Count	0
319715	Undefined_Atom_Stereo_Count	2
11673085	Mono_Isotopic_Weight	231.0581549
54697325	Defined_Bond_Stereo_Count	0
79037	Isotope_Atom_Count	0
53384934	Isotope_Atom_Count	0
23029	XLogP3	3.7
57659	Undefined_Atom_Stereo_Count	0
55939	Hydrogen_Bond_Acceptor_Count	5
698364	Undefined_Atom_Stereo_Count	0
9147	Non-hydrogen_Atom_Count	15
12673	Molecular_Weight	161.95
364704	Structure_Complexity	435
1551097	Exact_Mass	273.00689880
134694392	Defined_Atom_Stereo_Count	4
9865223	Rotatable_Bond_Count	4
6451450	Mono_Isotopic_Weight	114.068079557
66683197	Hydrogen_Bond_Donor_Count	1
3047795	Total_Formal_Charge	0
834	Hydrogen_Bond_Acceptor_Count	7
91168	Structure_Complexity	143
73267	Defined_Bond_Stereo_Count	0
54582822	Total_Formal_Charge	0
59991562	Non-hydrogen_Atom_Count	8
518605	Molecular_Weight	395.68
92159	Defined_Atom_Stereo_Count	0
122534114	Hydrogen_Bond_Donor_Count	8
85065	Hydrogen_Bond_Acceptor_Count	5
10246701	Mono_Isotopic_Weight	341.17394160
11527282	XLogP3-AA	5.1
123676251	Total_Formal_Charge	0
616631	Undefined_Bond_Stereo_Count	0
57398329	Hydrogen_Bond_Donor_Count	1
21792546	Non-hydrogen_Atom_Count	18
10236037	Mono_Isotopic_Weight	173.141578849
97727	Molecular_Weight	271.8
21696199	Non-hydrogen_Atom_Count	7
2403	Undefined_Atom_Stereo_Count	0
1150	Defined_Atom_Stereo_Count	0
44404716	Hydrogen_Bond_Donor_Count	0
352335	Non-hydrogen_Atom_Count	17
54319	TPSA	83.1
70250504	Mono_Isotopic_Weight	544.24744090
44160137	Total_Formal_Charge	0
657302	Structure_Complexity	356
71679077	Rotatable_Bond_Count	6
21823	Exact_Mass	217.110278721
27347	Non-hydrogen_Atom_Count	17
16136912	Structure_Complexity	3700
8396	Mono_Isotopic_Weight	176.120115130
12074364	Isotope_Atom_Count	0
129897177	Mono_Isotopic_Weight	1065.53558789
24848788	Structure_Complexity	156
153085381	TPSA	9.2
656981	Covalent_Unit_Count	2
138113415	Mono_Isotopic_Weight	765.42004509
7280190	Defined_Atom_Stereo_Count	0
2758725	Structure_Complexity	87.1
70689445	Defined_Atom_Stereo_Count	0
5324	Defined_Atom_Stereo_Count	0
3001322	Hydrogen_Bond_Donor_Count	3
92649	Structure_Complexity	271
87869859	Covalent_Unit_Count	1
446286	Exact_Mass	425.14092740
70689065	Structure_Complexity	999
145996610	Undefined_Atom_Stereo_Count	0
2736527	Tautomer_Count	2
7487	TPSA	62.9
71778	Hydrogen_Bond_Donor_Count	1
54808	Covalent_Unit_Count	1
3062316	Undefined_Bond_Stereo_Count	0
19651	Exact_Mass	529.953300
18924037	Exact_Mass	113.047678466
3773593	Defined_Atom_Stereo_Count	0
71476	Undefined_Bond_Stereo_Count	0
117899707	Exact_Mass	116.083729621
66692781	Undefined_Atom_Stereo_Count	0
19606581	Hydrogen_Bond_Acceptor_Count	4
921599	Total_Formal_Charge	0
6917951	Structure_Complexity	659
83156	XLogP3-AA	0.2
60420	Isotope_Atom_Count	0
5388937	Isotope_Atom_Count	0
4917	TPSA	35
9810773	Covalent_Unit_Count	2
56929801	Undefined_Bond_Stereo_Count	0
73707356	Undefined_Atom_Stereo_Count	2
135465076	Covalent_Unit_Count	2
10390369	Total_Formal_Charge	0
18101	Total_Formal_Charge	0
11712649	Total_Formal_Charge	0
95571	Hydrogen_Bond_Acceptor_Count	2
9865528	Hydrogen_Bond_Acceptor_Count	6
81226	Total_Formal_Charge	0
307	Structure_Complexity	121
24006	Structure_Complexity	70.8
114812	Total_Formal_Charge	0
15407	Defined_Atom_Stereo_Count	0
16049088	Defined_Bond_Stereo_Count	0
11513929	Molecular_Weight	197.19
1382059	Hydrogen_Bond_Donor_Count	1
3505109	TPSA	86.3
9802673	Hydrogen_Bond_Donor_Count	6
72518	Exact_Mass	528.16316171
558206	Hydrogen_Bond_Acceptor_Count	1
439182	Total_Formal_Charge	0
6914	Undefined_Bond_Stereo_Count	0
42710	Total_Formal_Charge	0
24866358	Molecular_Weight	471.9
90754	Exact_Mass	299.1189253
57473636	Undefined_Bond_Stereo_Count	0
31253	Defined_Atom_Stereo_Count	0
2708	Hydrogen_Bond_Acceptor_Count	3
12047567	Undefined_Atom_Stereo_Count	0
28264	Hydrogen_Bond_Acceptor_Count	2
2734163	Non-hydrogen_Atom_Count	13
12502857	Hydrogen_Bond_Donor_Count	0
242605	Structure_Complexity	248
77405	Covalent_Unit_Count	1
55284642	Molecular_Weight	82.10
152743428	Undefined_Atom_Stereo_Count	0
238498	Covalent_Unit_Count	1
10855428	Isotope_Atom_Count	0
4068	Exact_Mass	706.84518
31116	Tautomer_Count	8
1549016	Defined_Atom_Stereo_Count	0
5281162	Total_Formal_Charge	0
15309593	Undefined_Bond_Stereo_Count	0
170750	Rotatable_Bond_Count	5
25211988	XLogP3-AA	2
68169200	Structure_Complexity	122
137530132	XLogP3-AA	4.5
18506428	Mono_Isotopic_Weight	118.062994177
87639	Hydrogen_Bond_Acceptor_Count	0
10509	Isotope_Atom_Count	0
16212959	Defined_Atom_Stereo_Count	4
2618	Exact_Mass	454.03001448
193450	Rotatable_Bond_Count	4
23262897	Hydrogen_Bond_Donor_Count	0
434207	XLogP3-AA	3.4
129674572	Covalent_Unit_Count	1
52427	Hydrogen_Bond_Donor_Count	0
52934127	Mono_Isotopic_Weight	423.1462027
44445686	Mono_Isotopic_Weight	416.32904526
60207729	Hydrogen_Bond_Acceptor_Count	4
34633	Rotatable_Bond_Count	6
656902	Hydrogen_Bond_Donor_Count	4
58242	Molecular_Weight	250.29
118910268	Covalent_Unit_Count	1
91473751	Undefined_Bond_Stereo_Count	0
54015928	Exact_Mass	97.052763847
65701	Exact_Mass	295.204847810
2342	Structure_Complexity	582
9865961	Rotatable_Bond_Count	7
11658353	Non-hydrogen_Atom_Count	12
10528103	Hydrogen_Bond_Donor_Count	3
71776638	Total_Formal_Charge	0
16757820	Non-hydrogen_Atom_Count	26
23677992	Hydrogen_Bond_Acceptor_Count	6
11194316	Exact_Mass	116.047344113
5694	Mono_Isotopic_Weight	323.0495256
12637126	Covalent_Unit_Count	1
152274	Undefined_Bond_Stereo_Count	0
85627952	Isotope_Atom_Count	0
124524515	Hydrogen_Bond_Acceptor_Count	11
17754089	Isotope_Atom_Count	0
109198	Structure_Complexity	445
11397521	Isotope_Atom_Count	0
6696	Molecular_Weight	309.16
16759177	Hydrogen_Bond_Donor_Count	2
31423	Hydrogen_Bond_Donor_Count	0
121285115	Exact_Mass	284.16237386
6518168	Isotope_Atom_Count	0
135860757	Hydrogen_Bond_Donor_Count	1
5943	Rotatable_Bond_Count	0
71897	Total_Formal_Charge	0
10232719	Undefined_Bond_Stereo_Count	0
129861481	Rotatable_Bond_Count	0
71356	Defined_Bond_Stereo_Count	0
72849	TPSA	0
11995188	Undefined_Bond_Stereo_Count	0
14020433	Total_Formal_Charge	0
77990	Structure_Complexity	402
86790	Non-hydrogen_Atom_Count	7
71430	Structure_Complexity	438
119072	Defined_Atom_Stereo_Count	2
12701621	TPSA	58.6
60196350	Rotatable_Bond_Count	2
23693089	Isotope_Atom_Count	0
11320921	Non-hydrogen_Atom_Count	8
11768526	Undefined_Bond_Stereo_Count	0
129633772	Covalent_Unit_Count	1
53846435	Covalent_Unit_Count	1
5319765	Hydrogen_Bond_Acceptor_Count	3
124809078	Isotope_Atom_Count	0
5148195	Total_Formal_Charge	0
44443939	Defined_Bond_Stereo_Count	0
135431272	Mono_Isotopic_Weight	111.043261792
57429034	Structure_Complexity	97.2
65256	Rotatable_Bond_Count	0
91163310	Undefined_Bond_Stereo_Count	0
154526012	TPSA	26.3
28864	Defined_Atom_Stereo_Count	2
11397521	TPSA	131
17377	Defined_Atom_Stereo_Count	0
135437	Exact_Mass	183.06604493
563446	Isotope_Atom_Count	0
5281025	Molecular_Weight	883.1
16971	Defined_Atom_Stereo_Count	0
9811611	Rotatable_Bond_Count	10
10920480	Hydrogen_Bond_Donor_Count	0
94175	Molecular_Weight	324.4
91655	Tautomer_Count	1
91809622	Rotatable_Bond_Count	10
2735001	Mono_Isotopic_Weight	172.07355886
11137118	Molecular_Weight	109.13
7923	Defined_Bond_Stereo_Count	0
89036	Hydrogen_Bond_Donor_Count	2
82464	Isotope_Atom_Count	0
6136	Defined_Bond_Stereo_Count	0
91501151	Hydrogen_Bond_Donor_Count	0
66081	Hydrogen_Bond_Acceptor_Count	0
23378923	XLogP3-AA	0.8
16726085	Covalent_Unit_Count	1
14241402	Undefined_Bond_Stereo_Count	0
10440976	Molecular_Weight	983.1
13925	XLogP3-AA	4.4
19989301	Defined_Bond_Stereo_Count	0
6026790	Exact_Mass	594.52232533
94355	Defined_Atom_Stereo_Count	0
6695	Mono_Isotopic_Weight	443.23346786
157917	Molecular_Weight	648.2
12307804	Defined_Bond_Stereo_Count	0
10630456	Defined_Bond_Stereo_Count	0
1083	Tautomer_Count	4
73919	Hydrogen_Bond_Acceptor_Count	1
15709948	Molecular_Weight	437.70
6535	Undefined_Bond_Stereo_Count	0
14042	Rotatable_Bond_Count	3
136843	Hydrogen_Bond_Acceptor_Count	2
53507	Undefined_Atom_Stereo_Count	0
20483595	Structure_Complexity	177
8470	Structure_Complexity	31.7
16900	Rotatable_Bond_Count	5
97234	XLogP3	1.4
44017	Mono_Isotopic_Weight	333.081783
20656311	Hydrogen_Bond_Donor_Count	0
13587089	Isotope_Atom_Count	0
6918332	Non-hydrogen_Atom_Count	27
8011	Exact_Mass	71.037113783
37541	Undefined_Bond_Stereo_Count	0
91713	Non-hydrogen_Atom_Count	37
133109195	Hydrogen_Bond_Acceptor_Count	9
15301053	Total_Formal_Charge	0
65773	Defined_Bond_Stereo_Count	0
71456042	Undefined_Atom_Stereo_Count	0
634876	Covalent_Unit_Count	1
20561708	Non-hydrogen_Atom_Count	7
3642	Hydrogen_Bond_Acceptor_Count	6
136081	Mono_Isotopic_Weight	134.01902136
69046	Molecular_Weight	277.3
51947	Exact_Mass	376.09977
10523409	Mono_Isotopic_Weight	371.963539
1328	XLogP3	2.9
12674802	Hydrogen_Bond_Acceptor_Count	1
71225	Defined_Bond_Stereo_Count	0
133083079	Mono_Isotopic_Weight	1825.89989849
6418	Total_Formal_Charge	0
11956149	TPSA	43.1
8018	Total_Formal_Charge	0
689013	Exact_Mass	236.083729621
134715513	Covalent_Unit_Count	2
8042	TPSA	26.3
60150330	Hydrogen_Bond_Acceptor_Count	2
13189	Tautomer_Count	1
21766417	Structure_Complexity	58.1
10256734	Rotatable_Bond_Count	7
5308742	Rotatable_Bond_Count	3
53717135	XLogP3-AA	2.1
25271884	Undefined_Atom_Stereo_Count	0
41386	Undefined_Atom_Stereo_Count	1
2021	Hydrogen_Bond_Donor_Count	5
5280961	Mono_Isotopic_Weight	270.05282342
71300725	Hydrogen_Bond_Acceptor_Count	48
25082538	Isotope_Atom_Count	0
136796	Mono_Isotopic_Weight	130.078250319
17754075	Mono_Isotopic_Weight	115.063328530
8231	Total_Formal_Charge	0
1198	Exact_Mass	192.02700259
6852393	Tautomer_Count	3
9966051	TPSA	40.6
15325996	Hydrogen_Bond_Donor_Count	1
27435	Structure_Complexity	327
82295	TPSA	142
7510	Hydrogen_Bond_Acceptor_Count	2
5352982	Rotatable_Bond_Count	13
8365	Hydrogen_Bond_Acceptor_Count	3
9113	Non-hydrogen_Atom_Count	42
18432	Molecular_Weight	337.2
11589920	Total_Formal_Charge	0
101544	Exact_Mass	323.05185141
155346	Defined_Bond_Stereo_Count	0
70769	TPSA	17.8
54520	Exact_Mass	306.19434270
60196264	TPSA	556
54337282	Rotatable_Bond_Count	1
51397515	Non-hydrogen_Atom_Count	37
657141	Undefined_Atom_Stereo_Count	0
4595	Defined_Atom_Stereo_Count	0
5541	Exact_Mass	218.07903816
4353	Exact_Mass	136.94763
20316	Rotatable_Bond_Count	3
58498	Defined_Atom_Stereo_Count	0
4173	Undefined_Bond_Stereo_Count	0
15073	Isotope_Atom_Count	0
145994868	Total_Formal_Charge	0
2224	XLogP3-AA	7.6
126843179	Defined_Bond_Stereo_Count	2
58863	Defined_Bond_Stereo_Count	0
456161	Undefined_Bond_Stereo_Count	0
57874	Covalent_Unit_Count	1
57400027	Mono_Isotopic_Weight	351.137162174
9853053	Isotope_Atom_Count	0
796857	Rotatable_Bond_Count	2
13480954	Undefined_Bond_Stereo_Count	0
34864	Isotope_Atom_Count	0
444104	Total_Formal_Charge	0
139356	Hydrogen_Bond_Acceptor_Count	11
62278	Undefined_Bond_Stereo_Count	0
21932698	XLogP3-AA	3.8
587128	Exact_Mass	168.0341926
5958	Covalent_Unit_Count	1
3823	Isotope_Atom_Count	0
65808	Rotatable_Bond_Count	13
58335291	Molecular_Weight	98.14
7751	Mono_Isotopic_Weight	122.0134572
9795291	Molecular_Weight	265.33
9903944	Total_Formal_Charge	0
84075	Molecular_Weight	551.6
5483847	Undefined_Atom_Stereo_Count	0
6857537	Molecular_Weight	212.29
10379137	Exact_Mass	284.11609238
5927	Tautomer_Count	1
11974213	Molecular_Weight	485.0
47628	Covalent_Unit_Count	1
14816327	Mono_Isotopic_Weight	113.084063974
5284613	Non-hydrogen_Atom_Count	38
123205882	Defined_Bond_Stereo_Count	0
11957654	Covalent_Unit_Count	2
71335300	TPSA	12.5
45488106	Isotope_Atom_Count	0
11703345	Undefined_Bond_Stereo_Count	0
71234	Rotatable_Bond_Count	5
849	Exact_Mass	129.078978594
11173546	Non-hydrogen_Atom_Count	21
2679179	Defined_Bond_Stereo_Count	0
751	Hydrogen_Bond_Acceptor_Count	3
33255	Defined_Bond_Stereo_Count	0
629365	Mono_Isotopic_Weight	319.9941749
45117195	Isotope_Atom_Count	0
9793707	Rotatable_Bond_Count	0
19938019	Undefined_Atom_Stereo_Count	0
107720	Undefined_Bond_Stereo_Count	0
3086514	Tautomer_Count	1
2724123	XLogP3-AA	1.3
9912	Isotope_Atom_Count	0
118984396	Hydrogen_Bond_Donor_Count	1
3838852	Undefined_Bond_Stereo_Count	0
115017	Mono_Isotopic_Weight	152.062600255
71339534	Molecular_Weight	472.7
22636790	Undefined_Bond_Stereo_Count	0
9848024	Molecular_Weight	480.6
118121642	Hydrogen_Bond_Donor_Count	0
73353578	Total_Formal_Charge	0
44404642	Hydrogen_Bond_Acceptor_Count	5
18410493	Structure_Complexity	111
3719	Structure_Complexity	707
55297293	Non-hydrogen_Atom_Count	7
59295968	Exact_Mass	487.1674122
370	Exact_Mass	170.02152329
413546	Covalent_Unit_Count	1
681110	Covalent_Unit_Count	1
320263	Rotatable_Bond_Count	2
2565	Hydrogen_Bond_Acceptor_Count	5
39752	Defined_Atom_Stereo_Count	0
160554	Total_Formal_Charge	0
71798	Total_Formal_Charge	0
65789	Hydrogen_Bond_Acceptor_Count	7
12921228	Undefined_Atom_Stereo_Count	0
8323	Mono_Isotopic_Weight	239.058243149
65675	Undefined_Atom_Stereo_Count	0
70696332	Hydrogen_Bond_Donor_Count	1
42645244	Non-hydrogen_Atom_Count	35
91886115	Structure_Complexity	469
87280117	TPSA	58.9
104609	Rotatable_Bond_Count	4
19704286	Rotatable_Bond_Count	0
49862517	Rotatable_Bond_Count	6
122356	Structure_Complexity	83.1
12777	Structure_Complexity	120
440918	Structure_Complexity	98.5
197383	Hydrogen_Bond_Donor_Count	1
243556	XLogP3-AA	4.6
163304497	Mono_Isotopic_Weight	852.15113847
43432	Defined_Bond_Stereo_Count	0
2733797	TPSA	115
5353830	Non-hydrogen_Atom_Count	17
22563962	Hydrogen_Bond_Donor_Count	0
14920524	Covalent_Unit_Count	1
84032542	Exact_Mass	113.047678466
20652765	XLogP3-AA	1.1
94777	Exact_Mass	257.10519334
5481350	Covalent_Unit_Count	1
4215	Rotatable_Bond_Count	23
7128	Mono_Isotopic_Weight	178.099379685
39688	Structure_Complexity	450
57780614	Defined_Atom_Stereo_Count	0
53404864	Defined_Bond_Stereo_Count	0
5318998	Covalent_Unit_Count	1
1068	TPSA	25.3
6603822	Hydrogen_Bond_Donor_Count	3
95739	TPSA	63.3
57131886	Covalent_Unit_Count	1
23306082	Structure_Complexity	410
11514319	Defined_Atom_Stereo_Count	0
1166	Mono_Isotopic_Weight	566.05502130
10948	Defined_Bond_Stereo_Count	0
71359064	Defined_Bond_Stereo_Count	0
124823816	TPSA	20.2
21343371	Undefined_Bond_Stereo_Count	0
447153	TPSA	20.2
10972	Covalent_Unit_Count	1
4908365	XLogP3-AA	2.3
16760595	Undefined_Atom_Stereo_Count	0
11431912	Exact_Mass	495.26208790
129722163	Covalent_Unit_Count	3
27596	Undefined_Bond_Stereo_Count	0
81761	Molecular_Weight	444.0
5213	Total_Formal_Charge	0
102258	Defined_Bond_Stereo_Count	0
86278352	Defined_Atom_Stereo_Count	1
3035850	Mono_Isotopic_Weight	544.01228
23063442	Defined_Atom_Stereo_Count	0
44407	Undefined_Atom_Stereo_Count	0
45116687	Isotope_Atom_Count	0
5372131	Defined_Atom_Stereo_Count	0
6323236	Exact_Mass	582.24783482
21702831	Hydrogen_Bond_Acceptor_Count	1
11744644	Molecular_Weight	453.5
4132	Molecular_Weight	492.5
71624343	Structure_Complexity	546
23688976	Non-hydrogen_Atom_Count	14
68689	Molecular_Weight	185.31
52022	XLogP3-AA	5.2
23667627	Hydrogen_Bond_Donor_Count	1
1000	TPSA	46.2
21124737	Hydrogen_Bond_Acceptor_Count	14
53707229	Defined_Bond_Stereo_Count	0
62773515	Mono_Isotopic_Weight	114.068079557
5565	Defined_Atom_Stereo_Count	0
14988402	Mono_Isotopic_Weight	99.104799419
10608	Total_Formal_Charge	0
54675840	Hydrogen_Bond_Donor_Count	2
71586635	Covalent_Unit_Count	1
11274968	Structure_Complexity	74.2
135402338	Isotope_Atom_Count	0
3033332	Undefined_Atom_Stereo_Count	0
91525	Undefined_Bond_Stereo_Count	0
19028612	Mono_Isotopic_Weight	116.083729621
5384876	Exact_Mass	653.21084017
5280637	Total_Formal_Charge	0
839611	Hydrogen_Bond_Acceptor_Count	4
22033763	Defined_Bond_Stereo_Count	0
118023034	Tautomer_Count	1
4224798	Non-hydrogen_Atom_Count	10
10898649	Mono_Isotopic_Weight	97.063997236
51886	Molecular_Weight	209.20
62475	Structure_Complexity	153
3712	Non-hydrogen_Atom_Count	11
12921732	Hydrogen_Bond_Donor_Count	0
104150	Undefined_Atom_Stereo_Count	0
24360	XLogP3-AA	1
70267	Covalent_Unit_Count	1
68790	TPSA	30.2
517304	Total_Formal_Charge	0
11789157	Defined_Bond_Stereo_Count	0
71254	XLogP3-AA	1.7
135444614	Mono_Isotopic_Weight	350.18550935
98174	Total_Formal_Charge	0
54562506	Non-hydrogen_Atom_Count	8
76302	XLogP3	4.9
617614	Hydrogen_Bond_Donor_Count	1
20324725	TPSA	26.3
131751341	Defined_Bond_Stereo_Count	1
44244962	TPSA	77.4
45112562	Defined_Atom_Stereo_Count	0
18175	XLogP3-AA	2
7348	Isotope_Atom_Count	0
139078414	Isotope_Atom_Count	0
154518370	Rotatable_Bond_Count	1
61040	Hydrogen_Bond_Acceptor_Count	2
3700118	Isotope_Atom_Count	0
146468	Mono_Isotopic_Weight	182.084398327
25007064	Defined_Bond_Stereo_Count	0
139590517	Defined_Bond_Stereo_Count	0
77763	Hydrogen_Bond_Donor_Count	1
31200	Total_Formal_Charge	0
19077486	Undefined_Bond_Stereo_Count	0
23783	Non-hydrogen_Atom_Count	24
13262524	TPSA	25.8
61410	TPSA	26.3
71228	Total_Formal_Charge	0
114751	Covalent_Unit_Count	1
123769339	Exact_Mass	100.100048391
30292	Total_Formal_Charge	0
46841499	TPSA	139
87380	Exact_Mass	240.133427172
208838	Structure_Complexity	379
10997120	Total_Formal_Charge	0
3229	TPSA	85.8
36255	Mono_Isotopic_Weight	545.92082
123959	Mono_Isotopic_Weight	949.49494136
260917	Exact_Mass	110.073164938
11654876	Mono_Isotopic_Weight	430.20049070
551630	Undefined_Atom_Stereo_Count	1
72870	Exact_Mass	187.9795702
60745	Hydrogen_Bond_Donor_Count	0
139829	TPSA	0
15457	Structure_Complexity	43.3
21282995	Exact_Mass	96.068748264
57392505	Molecular_Weight	463.5
160458	Exact_Mass	128.02735756
2521	Non-hydrogen_Atom_Count	45
6834	Structure_Complexity	249
16132283	Hydrogen_Bond_Acceptor_Count	55
36933	Hydrogen_Bond_Donor_Count	1
5367692	TPSA	26.3
6492	Undefined_Bond_Stereo_Count	0
14965861	Defined_Atom_Stereo_Count	0
44720578	Non-hydrogen_Atom_Count	7
13243	Undefined_Atom_Stereo_Count	0
17769	Hydrogen_Bond_Donor_Count	0
130027214	Rotatable_Bond_Count	0
412781	Undefined_Bond_Stereo_Count	0
149433	Mono_Isotopic_Weight	125.084063974
24813	Defined_Bond_Stereo_Count	0
30532	Isotope_Atom_Count	0
70339927	Hydrogen_Bond_Acceptor_Count	2
11567473	Structure_Complexity	806
21059304	Total_Formal_Charge	0
13727	Molecular_Weight	279.8
25127299	Hydrogen_Bond_Donor_Count	1
147684232	Rotatable_Bond_Count	1
5483	TPSA	67.4
5818	Undefined_Atom_Stereo_Count	0
448258	Structure_Complexity	592
13045210	Defined_Bond_Stereo_Count	0
11995188	Undefined_Atom_Stereo_Count	0
23003869	Mono_Isotopic_Weight	112.088815002
54585032	Structure_Complexity	337
13659	Defined_Bond_Stereo_Count	0
68263	Undefined_Bond_Stereo_Count	0
3083758	Molecular_Weight	145.55
228506	Mono_Isotopic_Weight	140.02219199
5775	Exact_Mass	281.152812238
10473927	Hydrogen_Bond_Donor_Count	1
46700744	Hydrogen_Bond_Donor_Count	4
129760051	Rotatable_Bond_Count	40
3033332	Defined_Atom_Stereo_Count	0
11446301	XLogP3-AA	0
73813	Rotatable_Bond_Count	0
77529	Molecular_Weight	247.03
123899588	Isotope_Atom_Count	0
59819	Total_Formal_Charge	1
135556691	Undefined_Atom_Stereo_Count	0
25015692	Hydrogen_Bond_Acceptor_Count	9
13513692	Hydrogen_Bond_Acceptor_Count	1
72665	Isotope_Atom_Count	0
69763756	Defined_Atom_Stereo_Count	0
146158371	Total_Formal_Charge	0
126704391	Exact_Mass	180.06338810
50741839	Mono_Isotopic_Weight	606.22189408
14989494	Covalent_Unit_Count	1
560	Undefined_Atom_Stereo_Count	2
68260833	TPSA	9.2
61393223	Mono_Isotopic_Weight	112.063662883
23058060	Defined_Atom_Stereo_Count	0
637892	Defined_Bond_Stereo_Count	1
73957	Defined_Atom_Stereo_Count	0
139670117	XLogP3-AA	0.9
38883	Defined_Bond_Stereo_Count	0
5364448	Structure_Complexity	53.1
53318420	Mono_Isotopic_Weight	434.11227030
123608	Rotatable_Bond_Count	4
11921	Defined_Bond_Stereo_Count	0
96393	Total_Formal_Charge	0
1139	Molecular_Weight	322.21
13436	Exact_Mass	218.02239267
25142309	Hydrogen_Bond_Donor_Count	2
91180913	Hydrogen_Bond_Acceptor_Count	3
66275	Molecular_Weight	285.8
3683036	Undefined_Bond_Stereo_Count	0
22481615	Undefined_Atom_Stereo_Count	2
17572160	Molecular_Weight	863.3
60183	Total_Formal_Charge	0
5380	Isotope_Atom_Count	0
90165975	Defined_Atom_Stereo_Count	6
5702220	Total_Formal_Charge	0
129691409	Defined_Bond_Stereo_Count	0
1960	Hydrogen_Bond_Acceptor_Count	4
44454985	Hydrogen_Bond_Donor_Count	3
76957620	Exact_Mass	383.1627620
4345	Non-hydrogen_Atom_Count	26
62441	Covalent_Unit_Count	2
483	Structure_Complexity	428
643587	Total_Formal_Charge	0
17174	Non-hydrogen_Atom_Count	8
23385063	Isotope_Atom_Count	0
3464	Total_Formal_Charge	0
69146	Hydrogen_Bond_Donor_Count	0
139637653	Non-hydrogen_Atom_Count	7
7351	XLogP3-AA	2.5
21922278	Defined_Atom_Stereo_Count	0
5280360	Defined_Bond_Stereo_Count	2
87098264	Undefined_Bond_Stereo_Count	0
3045335	Defined_Bond_Stereo_Count	0
50905713	Undefined_Bond_Stereo_Count	0
748	Mono_Isotopic_Weight	387.04062148
6535	Undefined_Atom_Stereo_Count	0
1761	Undefined_Bond_Stereo_Count	0
657073	Defined_Bond_Stereo_Count	0
71850	TPSA	0
21835032	TPSA	12
138991760	Undefined_Bond_Stereo_Count	0
66	Undefined_Atom_Stereo_Count	0
19431	Molecular_Weight	273.12
86213522	Hydrogen_Bond_Acceptor_Count	0
23662025	Tautomer_Count	9
23293	Covalent_Unit_Count	1
9548661	Defined_Atom_Stereo_Count	10
37545	Undefined_Bond_Stereo_Count	0
165558	Structure_Complexity	641
154730852	Structure_Complexity	1230
74791	XLogP3	3.7
90936519	Mono_Isotopic_Weight	1201.84136802
130642949	Total_Formal_Charge	0
12465459	XLogP3-AA	0.4
163640634	Isotope_Atom_Count	0
135489810	Exact_Mass	113.058911855
447077	TPSA	83.4
11569158	Defined_Bond_Stereo_Count	0
10254700	Structure_Complexity	506
449346	Non-hydrogen_Atom_Count	13
25117126	Defined_Atom_Stereo_Count	0
5364752	Exact_Mass	84.057514874
22812306	Defined_Bond_Stereo_Count	0
89811	Undefined_Bond_Stereo_Count	0
2795878	Structure_Complexity	94.4
971	Molecular_Weight	90.03
24321	Non-hydrogen_Atom_Count	22
55285991	Non-hydrogen_Atom_Count	8
62878	Defined_Bond_Stereo_Count	0
21093784	Rotatable_Bond_Count	5
18212	Defined_Atom_Stereo_Count	0
32798	Defined_Bond_Stereo_Count	0
21221940	Total_Formal_Charge	0
13639661	Structure_Complexity	110
43436578	Total_Formal_Charge	0
122415	Exact_Mass	154.135765193
10618	Undefined_Bond_Stereo_Count	0
121207425	TPSA	26.3
909860	Covalent_Unit_Count	1
13069	Rotatable_Bond_Count	0
30196	Total_Formal_Charge	0
48000	Structure_Complexity	936
17561	Covalent_Unit_Count	1
1125887	Molecular_Weight	419.3
15593	Defined_Bond_Stereo_Count	0
106358	Hydrogen_Bond_Acceptor_Count	4
13418386	Mono_Isotopic_Weight	112.100048391
122672156	TPSA	52.1
25058126	Covalent_Unit_Count	1
447405	Hydrogen_Bond_Acceptor_Count	8
68901	Rotatable_Bond_Count	3
22016574	Mono_Isotopic_Weight	99.068413911
163640634	Defined_Bond_Stereo_Count	0
84063981	Structure_Complexity	124
97919	Isotope_Atom_Count	0
6549	Molecular_Weight	154.25
633	TPSA	34.1
13519	Undefined_Bond_Stereo_Count	0
27967	Defined_Atom_Stereo_Count	0
11253	Hydrogen_Bond_Donor_Count	0
91256663	Defined_Bond_Stereo_Count	0
3385	Total_Formal_Charge	0
59107407	Covalent_Unit_Count	1
225688	XLogP3-AA	9
65612	Mono_Isotopic_Weight	354.17658463
93074	Molecular_Weight	101.15
3700118	XLogP3-AA	2.2
12167465	Undefined_Atom_Stereo_Count	0
90687044	TPSA	30.7
70837736	Isotope_Atom_Count	0
14027412	Molecular_Weight	113.16
7043900	Covalent_Unit_Count	1
821629	Rotatable_Bond_Count	2
100933147	Defined_Atom_Stereo_Count	20
20093425	TPSA	54.7
9567537	Covalent_Unit_Count	1
8369	Molecular_Weight	126.11
54071	Undefined_Bond_Stereo_Count	0
24848402	Non-hydrogen_Atom_Count	21
138442	Undefined_Atom_Stereo_Count	0
70943	Hydrogen_Bond_Donor_Count	0
15967	XLogP3-AA	5.2
13213307	Total_Formal_Charge	0
23954	Undefined_Atom_Stereo_Count	0
18139	Undefined_Bond_Stereo_Count	0
12746998	Isotope_Atom_Count	0
11571	Rotatable_Bond_Count	0
71300725	Defined_Atom_Stereo_Count	0
8373	Undefined_Bond_Stereo_Count	0
12313776	Undefined_Atom_Stereo_Count	0
85296	Non-hydrogen_Atom_Count	9
44593340	Total_Formal_Charge	0
6445230	Hydrogen_Bond_Donor_Count	2
57667	Undefined_Bond_Stereo_Count	0
124005380	XLogP3-AA	3.1
830140	Structure_Complexity	254
5311425	Isotope_Atom_Count	0
89405665	Mono_Isotopic_Weight	102.079312947
21617691	Defined_Atom_Stereo_Count	0
5353843	Undefined_Bond_Stereo_Count	0
54583932	TPSA	54.3
146540	Exact_Mass	194.0377538
9802865	Hydrogen_Bond_Acceptor_Count	6
3802528	Mono_Isotopic_Weight	624.171497
53242178	Undefined_Atom_Stereo_Count	0
9171	Mono_Isotopic_Weight	228.093900383
645886	Defined_Bond_Stereo_Count	0
7529	Undefined_Bond_Stereo_Count	0
56777521	Rotatable_Bond_Count	1
86467	Defined_Bond_Stereo_Count	0
16123056	Total_Formal_Charge	0
2724123	Structure_Complexity	131
59	Tautomer_Count	1
137203329	Non-hydrogen_Atom_Count	13
60052896	Exact_Mass	180.06338810
5362451	Defined_Bond_Stereo_Count	0
23892	Isotope_Atom_Count	0
17827145	Non-hydrogen_Atom_Count	7
6438877	Undefined_Bond_Stereo_Count	0
5017	Undefined_Bond_Stereo_Count	0
448632	Hydrogen_Bond_Donor_Count	1
66684	Structure_Complexity	383
131744	Molecular_Weight	116.16
52914006	Hydrogen_Bond_Donor_Count	2
24181476	Hydrogen_Bond_Donor_Count	1
43558816	Structure_Complexity	123
847313	Mono_Isotopic_Weight	296.09431156
44309990	Structure_Complexity	431
143009217	Rotatable_Bond_Count	0
56296	Defined_Bond_Stereo_Count	0
20270668	Total_Formal_Charge	0
90444	Non-hydrogen_Atom_Count	25
85989631	XLogP3-AA	2.1
131698425	Rotatable_Bond_Count	1
67247924	Molecular_Weight	112.13
9571109	Mono_Isotopic_Weight	395.068258
7244	Tautomer_Count	3
123867503	TPSA	0
3033968	Exact_Mass	310.193280068
9601896	Defined_Atom_Stereo_Count	0
124224930	TPSA	195
87402170	Covalent_Unit_Count	1
38034	Non-hydrogen_Atom_Count	15
123131999	Undefined_Atom_Stereo_Count	1
5347	Isotope_Atom_Count	0
85764696	Undefined_Atom_Stereo_Count	0
51081	Rotatable_Bond_Count	3
11597	Defined_Bond_Stereo_Count	0
469717	Hydrogen_Bond_Acceptor_Count	4
101821629	Hydrogen_Bond_Donor_Count	0
87743	Structure_Complexity	284
123347622	Covalent_Unit_Count	1
85535	Mono_Isotopic_Weight	396.396730897
68180	Mono_Isotopic_Weight	150.00441
640543	Covalent_Unit_Count	1
19067957	Total_Formal_Charge	0
57394330	Defined_Atom_Stereo_Count	3
448799	Structure_Complexity	770
12561969	Covalent_Unit_Count	1
125449602	Defined_Atom_Stereo_Count	0
40466884	Isotope_Atom_Count	0
20262	Tautomer_Count	3
23690449	Molecular_Weight	506.86
68149181	Hydrogen_Bond_Donor_Count	1
86062	Total_Formal_Charge	0
69819	Covalent_Unit_Count	1
194383	Non-hydrogen_Atom_Count	43
127894	Non-hydrogen_Atom_Count	20
17750962	TPSA	134
1549522	Exact_Mass	136.052429494
14107712	Non-hydrogen_Atom_Count	20
71458868	TPSA	90.6
15877745	XLogP3-AA	1.5
16049376	Defined_Atom_Stereo_Count	1
44555481	Structure_Complexity	854
71541278	Covalent_Unit_Count	1
23725625	Undefined_Atom_Stereo_Count	0
91216087	XLogP3-AA	0.6
62669683	Defined_Atom_Stereo_Count	0
10158453	Hydrogen_Bond_Donor_Count	1
131704262	Total_Formal_Charge	0
46724	Defined_Bond_Stereo_Count	0
20667	Covalent_Unit_Count	1
142952	Tautomer_Count	1
45117213	XLogP3	1.7
132837	Undefined_Atom_Stereo_Count	0
136790	TPSA	0
628202	Hydrogen_Bond_Acceptor_Count	10
19212	Defined_Atom_Stereo_Count	10
4992	Hydrogen_Bond_Donor_Count	0
1268185	Hydrogen_Bond_Acceptor_Count	3
5284542	Undefined_Bond_Stereo_Count	0
3060	Defined_Atom_Stereo_Count	0
92444	Defined_Atom_Stereo_Count	2
14577976	TPSA	51
64972	TPSA	65
29249	Mono_Isotopic_Weight	326.19156599
11953895	Exact_Mass	297.948962
153970	TPSA	135
98265	Structure_Complexity	71.1
71456725	Total_Formal_Charge	0
28837	Molecular_Weight	334.1
12151528	Hydrogen_Bond_Acceptor_Count	2
60478	Molecular_Weight	312.7
26033	Hydrogen_Bond_Donor_Count	0
66102	TPSA	52.6
19778654	Undefined_Atom_Stereo_Count	0
6364620	Total_Formal_Charge	0
9914506	Rotatable_Bond_Count	8
10112	Undefined_Bond_Stereo_Count	0
47445	Covalent_Unit_Count	1
299728	Hydrogen_Bond_Acceptor_Count	0
11088	Structure_Complexity	352
517232	Total_Formal_Charge	0
14764322	Defined_Bond_Stereo_Count	0
57303454	Molecular_Weight	94.11
9868580	Undefined_Bond_Stereo_Count	0
83075	Exact_Mass	271.20216773
53773588	Isotope_Atom_Count	0
219093	Non-hydrogen_Atom_Count	21
23667639	Undefined_Atom_Stereo_Count	0
119072	Rotatable_Bond_Count	3
300977	Exact_Mass	89.084063974
80084	Undefined_Bond_Stereo_Count	0
118327	Non-hydrogen_Atom_Count	24
115087054	Total_Formal_Charge	0
119182	Mono_Isotopic_Weight	303.0534451
72743	Total_Formal_Charge	0
189562	Covalent_Unit_Count	1
44338785	Structure_Complexity	897
1728	Molecular_Weight	344.4
46783232	Exact_Mass	361.12738533
12817963	XLogP3-AA	0.3
20514191	Hydrogen_Bond_Donor_Count	1
57403154	Structure_Complexity	416
2747993	Total_Formal_Charge	0
14791281	Defined_Bond_Stereo_Count	0
121232443	Undefined_Atom_Stereo_Count	0
52948174	TPSA	77.2
24480	Structure_Complexity	2.8
440466	Undefined_Bond_Stereo_Count	0
19001	Tautomer_Count	1
14570	Hydrogen_Bond_Acceptor_Count	1
46205407	Exact_Mass	648.31346959
16221	Hydrogen_Bond_Donor_Count	0
4436	Non-hydrogen_Atom_Count	16
6253	TPSA	129
126664809	XLogP3	0.9
14803	Hydrogen_Bond_Acceptor_Count	2
19851629	Undefined_Atom_Stereo_Count	0
520098	Hydrogen_Bond_Donor_Count	0
141363	Undefined_Atom_Stereo_Count	0
126710233	Exact_Mass	100.100048391
155742	TPSA	40.5
72304	Exact_Mass	222.068079557
10292887	Hydrogen_Bond_Acceptor_Count	6
15032818	Molecular_Weight	106.16
657275	Exact_Mass	271.1451400
21331354	Mono_Isotopic_Weight	115.063328530
21138	Molecular_Weight	259.34
26091	Hydrogen_Bond_Acceptor_Count	3
10477191	Defined_Atom_Stereo_Count	1
6433586	Total_Formal_Charge	0
5325710	Molecular_Weight	97.12
9872780	Rotatable_Bond_Count	8
285375	Rotatable_Bond_Count	2
14786268	Structure_Complexity	94.7
6420019	Defined_Atom_Stereo_Count	0
25945	Defined_Bond_Stereo_Count	0
18714263	Mono_Isotopic_Weight	111.079647300
10882	Defined_Bond_Stereo_Count	0
14900	Exact_Mass	330.27700969
132939820	Mono_Isotopic_Weight	181.06674293
12559	Hydrogen_Bond_Donor_Count	6
472181	Undefined_Atom_Stereo_Count	0
17994055	Structure_Complexity	77.7
12224256	Undefined_Atom_Stereo_Count	0
2781	Undefined_Atom_Stereo_Count	2
5205	Covalent_Unit_Count	1
71777706	Structure_Complexity	620
3001	Hydrogen_Bond_Donor_Count	0
44560574	Covalent_Unit_Count	1
52942212	Isotope_Atom_Count	0
14092185	Undefined_Bond_Stereo_Count	0
16217526	Defined_Bond_Stereo_Count	0
6429113	Total_Formal_Charge	0
14434921	Total_Formal_Charge	0
14892	Covalent_Unit_Count	2
31157	Rotatable_Bond_Count	1
7171	Undefined_Atom_Stereo_Count	1
6603836	Total_Formal_Charge	0
129860447	Defined_Bond_Stereo_Count	0
45259044	Hydrogen_Bond_Acceptor_Count	4
8499	Undefined_Bond_Stereo_Count	0
161209	Defined_Bond_Stereo_Count	0
56673678	Non-hydrogen_Atom_Count	25
31193	Defined_Bond_Stereo_Count	0
44719547	TPSA	53.7
9808844	Isotope_Atom_Count	0
57590	Exact_Mass	650.7761
12544	Defined_Atom_Stereo_Count	10
22628836	XLogP3-AA	0.3
103439991	Non-hydrogen_Atom_Count	7
376375	Hydrogen_Bond_Donor_Count	2
6127	Rotatable_Bond_Count	2
16421	Defined_Bond_Stereo_Count	0
151205	Hydrogen_Bond_Donor_Count	2
74236	Hydrogen_Bond_Donor_Count	0
24883432	Mono_Isotopic_Weight	446.129461
164748	Exact_Mass	155.9909149
32345	Covalent_Unit_Count	1
14282994	Rotatable_Bond_Count	2
54216748	Covalent_Unit_Count	1
70403801	Structure_Complexity	260
89951991	Covalent_Unit_Count	1
5426	Structure_Complexity	449
9950891	Undefined_Bond_Stereo_Count	0
61867	Undefined_Atom_Stereo_Count	0
122360911	Covalent_Unit_Count	1
19830152	XLogP3-AA	0
2756	Undefined_Atom_Stereo_Count	0
16757820	Undefined_Atom_Stereo_Count	1
23783	Defined_Atom_Stereo_Count	0
13132266	Defined_Bond_Stereo_Count	0
22571	Isotope_Atom_Count	0
99923	Total_Formal_Charge	0
521994	Non-hydrogen_Atom_Count	7
14676	Hydrogen_Bond_Donor_Count	1
5365909	Defined_Atom_Stereo_Count	0
6433588	Undefined_Atom_Stereo_Count	0
58714	Exact_Mass	197.116426730
3680	Rotatable_Bond_Count	4
62995	Defined_Bond_Stereo_Count	0
58902739	Isotope_Atom_Count	0
40724	Hydrogen_Bond_Acceptor_Count	2
78318119	Undefined_Bond_Stereo_Count	0
15276695	Exact_Mass	99.068413911
68535	Undefined_Bond_Stereo_Count	0
225147	Molecular_Weight	116.16
9427	Defined_Bond_Stereo_Count	0
7563	Tautomer_Count	2
10414749	Undefined_Bond_Stereo_Count	0
21152	Non-hydrogen_Atom_Count	16
73292	Isotope_Atom_Count	0
10202381	Covalent_Unit_Count	1
7048	Undefined_Bond_Stereo_Count	0
11635721	Total_Formal_Charge	0
57565697	Defined_Atom_Stereo_Count	0
25381	Covalent_Unit_Count	2
15744	Tautomer_Count	1
78638	Hydrogen_Bond_Donor_Count	0
421442	Covalent_Unit_Count	1
11654876	Total_Formal_Charge	0
44406	Isotope_Atom_Count	0
11858154	Total_Formal_Charge	0
44392087	Isotope_Atom_Count	0
71743842	Undefined_Atom_Stereo_Count	1
24529	Molecular_Weight	47.014
46856306	TPSA	104
34755	Isotope_Atom_Count	0
4611851	Undefined_Atom_Stereo_Count	1
66426486	Non-hydrogen_Atom_Count	8
54682461	Defined_Atom_Stereo_Count	2
78392	Non-hydrogen_Atom_Count	11
126843096	Defined_Atom_Stereo_Count	20
23642	Undefined_Bond_Stereo_Count	0
140052548	Non-hydrogen_Atom_Count	8
1533	XLogP3	0.6
78576	Undefined_Bond_Stereo_Count	0
3034024	Non-hydrogen_Atom_Count	21
3455	Defined_Atom_Stereo_Count	0
91384976	Isotope_Atom_Count	0
18323753	Exact_Mass	108.032362755
82202	Exact_Mass	115.97544247
13195	Undefined_Bond_Stereo_Count	0
62369	Undefined_Bond_Stereo_Count	0
146474223	Covalent_Unit_Count	1
62683	Structure_Complexity	2
17902163	TPSA	58.7
53320169	Covalent_Unit_Count	1
90479783	Structure_Complexity	528
2725002	TPSA	39.4
5719	Covalent_Unit_Count	1
74080	TPSA	47.6
20325315	XLogP3-AA	0.8
666418	XLogP3-AA	1.5
21895383	Defined_Bond_Stereo_Count	0
6922967	Isotope_Atom_Count	0
55298738	Non-hydrogen_Atom_Count	8
85971419	Covalent_Unit_Count	1
14675	Defined_Atom_Stereo_Count	0
58877	Tautomer_Count	1
20685	Non-hydrogen_Atom_Count	24
638066	Defined_Bond_Stereo_Count	1
5143	Molecular_Weight	183.19
139291707	Mono_Isotopic_Weight	1137.4964
12561666	Covalent_Unit_Count	1
65482	Mono_Isotopic_Weight	381.17606686
30291	Molecular_Weight	278.39
74956	Non-hydrogen_Atom_Count	7
21962760	Covalent_Unit_Count	1
57247629	Isotope_Atom_Count	0
9852201	Covalent_Unit_Count	1
3077	Total_Formal_Charge	0
72604488	Non-hydrogen_Atom_Count	7
11382710	Non-hydrogen_Atom_Count	24
59486	Undefined_Atom_Stereo_Count	1
132647840	Molecular_Weight	156.19
72148	Total_Formal_Charge	0
129864969	Structure_Complexity	620
54331	Hydrogen_Bond_Acceptor_Count	7
1033	Rotatable_Bond_Count	21
160883	Undefined_Atom_Stereo_Count	0
11715169	Structure_Complexity	139
21067	Hydrogen_Bond_Acceptor_Count	3
2762838	Tautomer_Count	1
5230726	Defined_Atom_Stereo_Count	0
16212746	Undefined_Atom_Stereo_Count	0
9984374	Covalent_Unit_Count	1
7747	Hydrogen_Bond_Acceptor_Count	3
79059	Isotope_Atom_Count	0
78406	Non-hydrogen_Atom_Count	21
10975533	Non-hydrogen_Atom_Count	7
688803	Covalent_Unit_Count	1
105031	Structure_Complexity	623
15980171	Undefined_Bond_Stereo_Count	0
71335300	Hydrogen_Bond_Donor_Count	0
17078	Mono_Isotopic_Weight	263.87854
824	Defined_Atom_Stereo_Count	0
12452048	Mono_Isotopic_Weight	112.088815002
21989049	Hydrogen_Bond_Donor_Count	2
86138	XLogP3	3.2
99486	TPSA	26.3
77286	Covalent_Unit_Count	1
87905888	Hydrogen_Bond_Donor_Count	2
18777	Mono_Isotopic_Weight	637.10897582
21975	Undefined_Bond_Stereo_Count	0
6473876	Defined_Atom_Stereo_Count	13
54755438	Non-hydrogen_Atom_Count	34
104276777	Structure_Complexity	120
6437387	Mono_Isotopic_Weight	416.32904526
25171607	Undefined_Atom_Stereo_Count	0
32731	Hydrogen_Bond_Acceptor_Count	6
67797735	Tautomer_Count	4
77929	Molecular_Weight	220.25
9797657	XLogP3	3.5
13050832	Defined_Bond_Stereo_Count	0
2040	Defined_Bond_Stereo_Count	0
25142700	Undefined_Atom_Stereo_Count	0
85571413	Rotatable_Bond_Count	0
22170354	TPSA	86.5
2734167	Defined_Bond_Stereo_Count	0
14163	Molecular_Weight	270.37
71142	Structure_Complexity	516
28858	Undefined_Bond_Stereo_Count	0
294764	Structure_Complexity	262
67507057	Covalent_Unit_Count	1
2003	Mono_Isotopic_Weight	245.116426730
31279	Mono_Isotopic_Weight	97.089149355
134008	Rotatable_Bond_Count	4
62413	Isotope_Atom_Count	0
10096344	Covalent_Unit_Count	1
10909522	Exact_Mass	111.068413911
5282360	Non-hydrogen_Atom_Count	21
75357255	Isotope_Atom_Count	0
21349800	Mono_Isotopic_Weight	111.032028402
165495	Covalent_Unit_Count	4
12278607	Total_Formal_Charge	0
64772	Structure_Complexity	694
136673	Mono_Isotopic_Weight	98.109550447
69963	Hydrogen_Bond_Acceptor_Count	1
146157455	Total_Formal_Charge	0
23667548	Defined_Bond_Stereo_Count	0
35136	Rotatable_Bond_Count	1
62529	XLogP3-AA	2.5
81885	TPSA	27.7
24672	Undefined_Atom_Stereo_Count	0
7529	Undefined_Atom_Stereo_Count	0
9624	Exact_Mass	179.85445
41037	Hydrogen_Bond_Donor_Count	3
9930049	Defined_Atom_Stereo_Count	3
12057264	Non-hydrogen_Atom_Count	5
3038482	Undefined_Bond_Stereo_Count	0
11682247	XLogP3-AA	3.4
137735	TPSA	28.7
2590	Total_Formal_Charge	0
10351178	Undefined_Atom_Stereo_Count	17
6032	Rotatable_Bond_Count	6
20648808	Exact_Mass	97.052763847
410099	Defined_Atom_Stereo_Count	0
447407	Exact_Mass	228.11100700
520913	Non-hydrogen_Atom_Count	7
11326613	Isotope_Atom_Count	0
44455014	Non-hydrogen_Atom_Count	26
11062312	Defined_Bond_Stereo_Count	0
39485	Defined_Atom_Stereo_Count	0
769	Isotope_Atom_Count	0
7385	Undefined_Bond_Stereo_Count	0
98615047	Hydrogen_Bond_Donor_Count	0
13664	Covalent_Unit_Count	1
9914506	Non-hydrogen_Atom_Count	35
16129911	Defined_Bond_Stereo_Count	1
16224456	Isotope_Atom_Count	0
12266719	Hydrogen_Bond_Acceptor_Count	1
130554629	Undefined_Bond_Stereo_Count	0
198695	XLogP3-AA	0
22712811	Rotatable_Bond_Count	0
67818	Molecular_Weight	364.06
14899645	Isotope_Atom_Count	0
21531	Rotatable_Bond_Count	6
68171	Molecular_Weight	382.7
81909	XLogP3	2
15548	Undefined_Atom_Stereo_Count	1
3225	Covalent_Unit_Count	1
54740	Structure_Complexity	475
11013485	Isotope_Atom_Count	0
56603655	XLogP3-AA	0.5
8815	Undefined_Atom_Stereo_Count	0
11626920	Covalent_Unit_Count	1
2899204	TPSA	53
56841936	Non-hydrogen_Atom_Count	13
146680	Exact_Mass	374.07903816
16211283	Molecular_Weight	396.9
68873	Defined_Bond_Stereo_Count	0
3025721	Exact_Mass	222.079312947
5460024	Isotope_Atom_Count	0
4871804	Exact_Mass	149.05104977
9547196	Defined_Bond_Stereo_Count	0
4146595	Undefined_Bond_Stereo_Count	0
51047	Mono_Isotopic_Weight	292.0978555
53710320	TPSA	56.2
87299033	Hydrogen_Bond_Donor_Count	3
16664362	Defined_Bond_Stereo_Count	0
444913	Undefined_Atom_Stereo_Count	0
3251	Undefined_Bond_Stereo_Count	0
162652	Covalent_Unit_Count	1
12762328	Defined_Bond_Stereo_Count	0
1551	Defined_Atom_Stereo_Count	0
65565	Tautomer_Count	45
959571	Hydrogen_Bond_Acceptor_Count	5
6328182	Total_Formal_Charge	0
84979	Mono_Isotopic_Weight	126.90308
77312	XLogP3-AA	0.9
5150303	Mono_Isotopic_Weight	330.0376063
11181836	Covalent_Unit_Count	2
447078	Exact_Mass	747.57780557
21932698	Exact_Mass	186.161979940
18545678	Undefined_Atom_Stereo_Count	1
55250	Exact_Mass	376.14567842
9918460	Hydrogen_Bond_Donor_Count	2
49087	Mono_Isotopic_Weight	353.2121570
64350	Hydrogen_Bond_Donor_Count	3
6604605	Undefined_Atom_Stereo_Count	0
11274968	TPSA	17.1
48845	Exact_Mass	354.19434270
91899080	XLogP3-AA	2.2
100937012	Rotatable_Bond_Count	0
8373	Defined_Atom_Stereo_Count	0
71681010	Undefined_Bond_Stereo_Count	0
53763878	Hydrogen_Bond_Donor_Count	0
6442568	Non-hydrogen_Atom_Count	12
91696	Tautomer_Count	2
40697	Molecular_Weight	321.5
1712088	Defined_Bond_Stereo_Count	0
14435951	Hydrogen_Bond_Acceptor_Count	1
13493	Defined_Bond_Stereo_Count	0
49866505	Total_Formal_Charge	0
12150354	Structure_Complexity	46.8
20784557	Structure_Complexity	80.5
67322	Exact_Mass	236.17360725
76619	Covalent_Unit_Count	1
12580931	Isotope_Atom_Count	0
9904746	Non-hydrogen_Atom_Count	19
13546	Molecular_Weight	114.14
3721	Molecular_Weight	240.15
8354	Undefined_Bond_Stereo_Count	0
41721	Rotatable_Bond_Count	1
350	Mono_Isotopic_Weight	343.08546021
16058	TPSA	62
49867936	Hydrogen_Bond_Acceptor_Count	9
67191	TPSA	86.7
9810771	Defined_Atom_Stereo_Count	1
16296	TPSA	26.3
492976	XLogP3-AA	1.9
71457010	Rotatable_Bond_Count	5
92765	Tautomer_Count	1
94418	Covalent_Unit_Count	1
25355	Hydrogen_Bond_Donor_Count	0
1096	Mono_Isotopic_Weight	921.249292
6427102	Molecular_Weight	196.29
8842	Total_Formal_Charge	0
17356	TPSA	50.6
31268	Defined_Atom_Stereo_Count	0
85774373	Covalent_Unit_Count	1
3402	Covalent_Unit_Count	1
71448903	TPSA	389
73566	Rotatable_Bond_Count	5
93221	Mono_Isotopic_Weight	699.42473655
7311724	Defined_Atom_Stereo_Count	1
52919826	Hydrogen_Bond_Acceptor_Count	5
12386566	Non-hydrogen_Atom_Count	20
46407	Undefined_Bond_Stereo_Count	0
21872002	Hydrogen_Bond_Acceptor_Count	2
11498	Rotatable_Bond_Count	9
6433	Undefined_Bond_Stereo_Count	0
6917852	Mono_Isotopic_Weight	662.0800515
10877967	Rotatable_Bond_Count	2
12668	Structure_Complexity	121
5948958	Rotatable_Bond_Count	2
60561	Covalent_Unit_Count	1
61585	TPSA	17.1
12969	Exact_Mass	84.093900383
45085421	Molecular_Weight	132.23
589692	Defined_Bond_Stereo_Count	0
4216510	TPSA	223
16102855	Non-hydrogen_Atom_Count	35
11789135	Defined_Bond_Stereo_Count	0
6941	Rotatable_Bond_Count	1
9863	Covalent_Unit_Count	1
5311333	Defined_Atom_Stereo_Count	33
159812	TPSA	227
6168933	Hydrogen_Bond_Acceptor_Count	8
83045	Defined_Atom_Stereo_Count	0
18509379	Defined_Atom_Stereo_Count	0
250716	TPSA	105
20979505	Defined_Atom_Stereo_Count	0
21693	Rotatable_Bond_Count	10
78959	Total_Formal_Charge	0
56659	Mono_Isotopic_Weight	245.08743528
29124	Total_Formal_Charge	0
66509087	Hydrogen_Bond_Acceptor_Count	12
175191	Non-hydrogen_Atom_Count	24
457302	Exact_Mass	670.31914349
89822	Isotope_Atom_Count	0
3658	Undefined_Atom_Stereo_Count	1
11518241	Undefined_Atom_Stereo_Count	0
43517	Non-hydrogen_Atom_Count	21
137705114	Hydrogen_Bond_Acceptor_Count	5
134687950	Exact_Mass	493.23118169
76464	Exact_Mass	226.07588133
3819932	Undefined_Atom_Stereo_Count	1
5478927	Hydrogen_Bond_Donor_Count	0
44392148	Structure_Complexity	651
28858	Defined_Atom_Stereo_Count	0
85916	Undefined_Bond_Stereo_Count	1
173799	Undefined_Bond_Stereo_Count	0
10899357	Covalent_Unit_Count	1
81655	Total_Formal_Charge	0
123388382	Molecular_Weight	98.15
46782362	Exact_Mass	446.13339966
16421	Rotatable_Bond_Count	5
26197	Undefined_Bond_Stereo_Count	0
86233820	Rotatable_Bond_Count	1
37	Tautomer_Count	2
10636633	Exact_Mass	282.10381361
11751549	Rotatable_Bond_Count	8
117717938	Defined_Bond_Stereo_Count	0
60778	Rotatable_Bond_Count	7
59603622	Hydrogen_Bond_Acceptor_Count	8
22856	Defined_Atom_Stereo_Count	0
186114	Isotope_Atom_Count	0
46931005	Undefined_Atom_Stereo_Count	0
110835	Non-hydrogen_Atom_Count	46
101100163	Exact_Mass	235.099714038
123298786	Isotope_Atom_Count	0
46783795	Mono_Isotopic_Weight	514.22028266
51029782	Total_Formal_Charge	0
5484	Isotope_Atom_Count	0
23691042	Tautomer_Count	1
23369154	Total_Formal_Charge	0
13772685	Covalent_Unit_Count	1
135814155	Total_Formal_Charge	0
181511	Hydrogen_Bond_Donor_Count	2
44540469	XLogP3-AA	4.6
49217	Structure_Complexity	337
75675	Molecular_Weight	192.32
1150567	TPSA	38.8
33068	Isotope_Atom_Count	0
16073	TPSA	38.3
19778718	Defined_Atom_Stereo_Count	0
19843	XLogP3-AA	0.7
13327309	Structure_Complexity	72.9
98047377	Exact_Mass	284.16237386
11124	Non-hydrogen_Atom_Count	6
10111	Non-hydrogen_Atom_Count	5
11611	TPSA	0
123913	Defined_Bond_Stereo_Count	0
102402827	Defined_Atom_Stereo_Count	9
54686261	Undefined_Atom_Stereo_Count	0
57467550	Covalent_Unit_Count	1
53921527	TPSA	26.3
53786	Molecular_Weight	370.4
99068	Hydrogen_Bond_Acceptor_Count	2
31011	Rotatable_Bond_Count	3
353481	TPSA	245
10044510	Hydrogen_Bond_Donor_Count	1
31390	Defined_Atom_Stereo_Count	0
18980923	Non-hydrogen_Atom_Count	7
57486971	Exact_Mass	109.089149355
193433	Hydrogen_Bond_Acceptor_Count	6
17963196	Exact_Mass	541.1204976
12271346	Hydrogen_Bond_Acceptor_Count	1
69333434	XLogP3-AA	0.9
879	Defined_Atom_Stereo_Count	0
97823	Molecular_Weight	99.13
102020084	Undefined_Atom_Stereo_Count	0
8501	Exact_Mass	173.9639201
628202	Structure_Complexity	688
3763520	Rotatable_Bond_Count	3
60196361	Hydrogen_Bond_Acceptor_Count	2
564184	Molecular_Weight	92.10
160743752	Defined_Atom_Stereo_Count	0
16683012	Hydrogen_Bond_Donor_Count	15
66829	Defined_Atom_Stereo_Count	0
57485872	Defined_Atom_Stereo_Count	0
989	Hydrogen_Bond_Acceptor_Count	3
90803	Isotope_Atom_Count	0
15466978	Total_Formal_Charge	0
611945	Exact_Mass	230.149077236
4442	Undefined_Bond_Stereo_Count	0
23161665	Undefined_Atom_Stereo_Count	2
24843	Isotope_Atom_Count	0
5251826	Total_Formal_Charge	0
595	Structure_Complexity	192
444183	Exact_Mass	215.05587416
17090	Undefined_Bond_Stereo_Count	0
11587584	Hydrogen_Bond_Donor_Count	1
4449	Mono_Isotopic_Weight	469.2244530
135475930	Structure_Complexity	728
99049	Molecular_Weight	575.7
71453618	Exact_Mass	392.0927701
11246	Covalent_Unit_Count	2
5480431	Undefined_Bond_Stereo_Count	0
644073	Hydrogen_Bond_Acceptor_Count	5
64334	Total_Formal_Charge	0
91175918	Hydrogen_Bond_Acceptor_Count	0
443939	Isotope_Atom_Count	0
140738	Hydrogen_Bond_Donor_Count	0
177739	Defined_Bond_Stereo_Count	0
170317	Isotope_Atom_Count	0
23253567	Defined_Atom_Stereo_Count	4
49621	Defined_Atom_Stereo_Count	0
238498	Non-hydrogen_Atom_Count	11
24705318	Hydrogen_Bond_Acceptor_Count	2
152109	Hydrogen_Bond_Acceptor_Count	11
7973	Covalent_Unit_Count	1
60196385	Mono_Isotopic_Weight	221.07791
1548887	XLogP3	3.4
80145	Undefined_Atom_Stereo_Count	0
71007	Mono_Isotopic_Weight	199.136099547
135415868	Non-hydrogen_Atom_Count	33
56835784	Molecular_Weight	492.33
89159	XLogP3-AA	1.6
22160	Rotatable_Bond_Count	6
74096	Covalent_Unit_Count	1
57442010	Hydrogen_Bond_Acceptor_Count	9
12367	Tautomer_Count	1
18727537	Exact_Mass	98.084398327
3000322	Exact_Mass	303.14705815
114750	Defined_Atom_Stereo_Count	3
66255	XLogP3-AA	3.8
3727	Hydrogen_Bond_Acceptor_Count	1
139444	Total_Formal_Charge	0
138402870	Non-hydrogen_Atom_Count	77
105426928	Non-hydrogen_Atom_Count	7
202519	Tautomer_Count	11
13611193	Covalent_Unit_Count	1
18410493	Hydrogen_Bond_Acceptor_Count	1
75091	Structure_Complexity	160
13401996	Non-hydrogen_Atom_Count	6
1202	Undefined_Bond_Stereo_Count	2
44419240	Defined_Atom_Stereo_Count	1
9794218	TPSA	54
14839575	Undefined_Atom_Stereo_Count	2
39971	Total_Formal_Charge	0
6433288	TPSA	57.9
10343454	XLogP3-AA	4.6
17676	Structure_Complexity	540
451668	Rotatable_Bond_Count	2
93189	Exact_Mass	178.135765193
444679	Total_Formal_Charge	0
369219	TPSA	20.3
16666	XLogP3-AA	3
118972006	XLogP3-AA	1.5
123963	Mono_Isotopic_Weight	204.089877630
11269429	Isotope_Atom_Count	0
3014295	Total_Formal_Charge	0
33929	Structure_Complexity	244
140180	Non-hydrogen_Atom_Count	7
5081356	XLogP3-AA	2.4
65595	Undefined_Bond_Stereo_Count	0
123565918	Mono_Isotopic_Weight	108.093900383
4237	Non-hydrogen_Atom_Count	25
11953808	Rotatable_Bond_Count	10
11746	TPSA	37.3
147522	Exact_Mass	80.05019218
124886	Hydrogen_Bond_Donor_Count	6
47795	TPSA	41.6
10133975	XLogP3-AA	3.5
135398559	Undefined_Bond_Stereo_Count	0
54054	Molecular_Weight	399.5
17963183	Total_Formal_Charge	0
11457680	Exact_Mass	115.063328530
16211654	Hydrogen_Bond_Acceptor_Count	1
162678	Undefined_Bond_Stereo_Count	0
7337	Isotope_Atom_Count	0
155293246	Undefined_Atom_Stereo_Count	0
4778	Exact_Mass	167.955634
118053313	Defined_Atom_Stereo_Count	0
3942	Undefined_Atom_Stereo_Count	0
38963	Mono_Isotopic_Weight	392.1502850
20003	Defined_Bond_Stereo_Count	0
66080	Structure_Complexity	92.6
68770	Hydrogen_Bond_Acceptor_Count	4
41287	Hydrogen_Bond_Donor_Count	1
60156	Molecular_Weight	303.8
5281672	Rotatable_Bond_Count	1
9548720	Covalent_Unit_Count	1
12435	Tautomer_Count	2
60189	Molecular_Weight	286.37
24266	Mono_Isotopic_Weight	143.93644758
829795	Hydrogen_Bond_Donor_Count	2
26757	Hydrogen_Bond_Acceptor_Count	1
54693768	Defined_Bond_Stereo_Count	0
126968951	Hydrogen_Bond_Donor_Count	4
157350	Hydrogen_Bond_Donor_Count	1
132998	Rotatable_Bond_Count	6
9810709	Undefined_Bond_Stereo_Count	0
105101	Hydrogen_Bond_Donor_Count	1
6917880	Defined_Atom_Stereo_Count	9
17304	XLogP3-AA	2
139589863	Covalent_Unit_Count	1
13704589	Hydrogen_Bond_Donor_Count	1
738033	Total_Formal_Charge	0
208880	Non-hydrogen_Atom_Count	8
16760328	Hydrogen_Bond_Donor_Count	4
40903	Covalent_Unit_Count	1
11962143	Undefined_Atom_Stereo_Count	0
586676	Molecular_Weight	180.20
30973	Defined_Bond_Stereo_Count	0
70413	Tautomer_Count	1
84647707	Structure_Complexity	103
5889665	Hydrogen_Bond_Acceptor_Count	4
7263	Undefined_Atom_Stereo_Count	0
141583717	TPSA	49.7
10429215	Hydrogen_Bond_Acceptor_Count	4
7557	Exact_Mass	146.073164938
59653	Undefined_Atom_Stereo_Count	3
4217966	Defined_Bond_Stereo_Count	0
97535	Defined_Bond_Stereo_Count	0
688563	Total_Formal_Charge	0
5462507	Non-hydrogen_Atom_Count	24
7115	Hydrogen_Bond_Acceptor_Count	0
69251	TPSA	17.1
529268	Defined_Bond_Stereo_Count	0
22035328	Total_Formal_Charge	0
45857	Rotatable_Bond_Count	3
44392124	Undefined_Bond_Stereo_Count	0
8408	Defined_Bond_Stereo_Count	0
5329056	Covalent_Unit_Count	1
10351656	Mono_Isotopic_Weight	100.100048391
18718394	Hydrogen_Bond_Donor_Count	0
316249	Defined_Atom_Stereo_Count	0
96396	Molecular_Weight	174.24
21447199	Hydrogen_Bond_Acceptor_Count	1
12268623	Mono_Isotopic_Weight	106.053098200
8364	Exact_Mass	250.15689456
21100	Rotatable_Bond_Count	4
2033	Hydrogen_Bond_Donor_Count	1
8062	Exact_Mass	80.037448136
59713	Structure_Complexity	384
70257	Structure_Complexity	44
144021791	Non-hydrogen_Atom_Count	8
35641	XLogP3-AA	2.5
85979179	Exact_Mass	83.037113783
54758034	Hydrogen_Bond_Acceptor_Count	5
5282219	Undefined_Bond_Stereo_Count	0
594028	Undefined_Bond_Stereo_Count	0
3924	Non-hydrogen_Atom_Count	17
145438	TPSA	0
5702628	Total_Formal_Charge	0
160269	Undefined_Atom_Stereo_Count	0
8173	Isotope_Atom_Count	0
12217061	XLogP3-AA	0.4
54125435	Undefined_Atom_Stereo_Count	0
15250	Exact_Mass	192.115029749
69356	Defined_Bond_Stereo_Count	0
134812042	Hydrogen_Bond_Acceptor_Count	11
60063	Exact_Mass	365.0942473
135398517	XLogP3-AA	0.3
5053	Isotope_Atom_Count	0
11865405	Non-hydrogen_Atom_Count	22
9915743	Undefined_Atom_Stereo_Count	0
18183443	Undefined_Atom_Stereo_Count	1
87869	Defined_Atom_Stereo_Count	2
54587226	Molecular_Weight	366.4
534235	Hydrogen_Bond_Acceptor_Count	1
443369	Undefined_Atom_Stereo_Count	8
6457	Mono_Isotopic_Weight	260.120115130
15991574	Hydrogen_Bond_Acceptor_Count	5
14776	Hydrogen_Bond_Donor_Count	0
55288167	Structure_Complexity	74.1
825877	Undefined_Bond_Stereo_Count	0
520847	Covalent_Unit_Count	1
153448834	Mono_Isotopic_Weight	284.16237386
15765	Isotope_Atom_Count	0
8254	Structure_Complexity	2.8
11215	Total_Formal_Charge	0
6100	Exact_Mass	413.06603
65681	Molecular_Weight	236.27
62753	XLogP3-AA	10.6
3661	Defined_Bond_Stereo_Count	0
11040399	Structure_Complexity	2060
54510058	Total_Formal_Charge	0
73330464	Non-hydrogen_Atom_Count	18
149208291	Exact_Mass	97.089149355
90730816	Undefined_Atom_Stereo_Count	1
55285488	TPSA	51.2
156595906	Mono_Isotopic_Weight	852.15113847
64463	Undefined_Bond_Stereo_Count	0
70390	Mono_Isotopic_Weight	226.110613074
23663403	Molecular_Weight	380.4
12630477	Undefined_Atom_Stereo_Count	2
58420421	Exact_Mass	110.084398327
1950	Defined_Atom_Stereo_Count	0
66601	XLogP3-AA	1.2
6454351	Tautomer_Count	1
58795738	TPSA	32.9
12231382	Mono_Isotopic_Weight	114.104465066
95093	Undefined_Bond_Stereo_Count	0
18048	TPSA	20.2
153373905	Hydrogen_Bond_Acceptor_Count	1
53385491	Defined_Bond_Stereo_Count	3
9989239	TPSA	58.2
118917438	Non-hydrogen_Atom_Count	8
55004	Structure_Complexity	63.3
443067	Tautomer_Count	4
154518370	Hydrogen_Bond_Acceptor_Count	0
57179768	Undefined_Atom_Stereo_Count	0
104904	Total_Formal_Charge	0
37933	Defined_Bond_Stereo_Count	0
68476	Rotatable_Bond_Count	0
30815	Undefined_Bond_Stereo_Count	0
98416	Isotope_Atom_Count	0
15773	Total_Formal_Charge	0
67277	Defined_Bond_Stereo_Count	0
36082	Hydrogen_Bond_Donor_Count	1
6917778	Mono_Isotopic_Weight	282.1498911
66575068	TPSA	276
73707340	Exact_Mass	326.272199093
87323627	Non-hydrogen_Atom_Count	8
89229710	Isotope_Atom_Count	0
10355	Defined_Bond_Stereo_Count	0
62751	Hydrogen_Bond_Donor_Count	0
57545	Defined_Bond_Stereo_Count	0
52949465	Rotatable_Bond_Count	8
11633904	Hydrogen_Bond_Donor_Count	1
5225	Defined_Atom_Stereo_Count	0
19360868	Undefined_Atom_Stereo_Count	1
2733525	Exact_Mass	563.25191714
85339	TPSA	37.3
38883	Exact_Mass	116.083729621
17994055	TPSA	74.9
57473238	Mono_Isotopic_Weight	97.027611728
6423	Rotatable_Bond_Count	0
6607	Isotope_Atom_Count	0
22601	Hydrogen_Bond_Acceptor_Count	5
9877346	Molecular_Weight	100.12
124870720	Molecular_Weight	875.1
5463854	Total_Formal_Charge	0
2723772	Structure_Complexity	119
15739357	Isotope_Atom_Count	0
53896476	Exact_Mass	135.104799419
59277839	Rotatable_Bond_Count	1
5151436	TPSA	20.2
67818	Total_Formal_Charge	0
7503	Total_Formal_Charge	0
123688932	Defined_Atom_Stereo_Count	0
893322	Isotope_Atom_Count	0
643497	Tautomer_Count	2
10021510	Hydrogen_Bond_Acceptor_Count	4
417753	Hydrogen_Bond_Acceptor_Count	4
6973640	Isotope_Atom_Count	0
135398700	Rotatable_Bond_Count	0
7284	Exact_Mass	86.073164938
98282	Isotope_Atom_Count	0
66678	Total_Formal_Charge	0
208907	Isotope_Atom_Count	0
12241083	Molecular_Weight	299.23
3032307	Rotatable_Bond_Count	6
131750205	Exact_Mass	1103.80140071
651720	Total_Formal_Charge	0
167724	Tautomer_Count	1
88464430	Non-hydrogen_Atom_Count	8
5368491	Hydrogen_Bond_Donor_Count	1
216247	Covalent_Unit_Count	1
10654176	Undefined_Atom_Stereo_Count	1
153684851	Undefined_Atom_Stereo_Count	1
9737	Undefined_Atom_Stereo_Count	0
197148	Isotope_Atom_Count	0
133640194	Non-hydrogen_Atom_Count	17
28788	Undefined_Atom_Stereo_Count	0
5494449	Mono_Isotopic_Weight	464.21067872
14577976	Undefined_Bond_Stereo_Count	0
15322	Isotope_Atom_Count	0
57519517	XLogP3-AA	1.6
15778463	Undefined_Atom_Stereo_Count	0
136586	TPSA	18.5
9578243	Molecular_Weight	292.33
2010	Hydrogen_Bond_Acceptor_Count	18
24184393	Undefined_Bond_Stereo_Count	0
73977860	TPSA	33
59216333	Exact_Mass	111.043261792
20727813	Mono_Isotopic_Weight	80.062600255
53863747	Defined_Bond_Stereo_Count	0
369976	Rotatable_Bond_Count	7
70684298	TPSA	69
60967	Exact_Mass	423.59541
102293	Defined_Atom_Stereo_Count	0
5103	Molecular_Weight	516.5
10597	Defined_Atom_Stereo_Count	0
16682730	Hydrogen_Bond_Acceptor_Count	2
289	Exact_Mass	110.036779430
90771502	Defined_Bond_Stereo_Count	0
97758	Non-hydrogen_Atom_Count	6
92094	Hydrogen_Bond_Acceptor_Count	2
45142026	Hydrogen_Bond_Donor_Count	2
9863	Structure_Complexity	10
135497803	Covalent_Unit_Count	1
121750	TPSA	98.5
5280489	Defined_Atom_Stereo_Count	0
168963	Isotope_Atom_Count	0
15032	Total_Formal_Charge	0
12454	Mono_Isotopic_Weight	400.1376123
5311333	Tautomer_Count	1
131872	Isotope_Atom_Count	0
409438	Hydrogen_Bond_Donor_Count	1
17818	Defined_Atom_Stereo_Count	0
32068	XLogP3	3.3
20299878	Non-hydrogen_Atom_Count	7
100927764	Structure_Complexity	438
2734054	Defined_Atom_Stereo_Count	1
18766934	XLogP3-AA	1.3
86956	Molecular_Weight	228.4
44201342	Undefined_Atom_Stereo_Count	0
20118532	Total_Formal_Charge	0
71544786	Exact_Mass	688.22492620
46127	Non-hydrogen_Atom_Count	21
23666342	Tautomer_Count	1
135413545	Covalent_Unit_Count	5
16141	Undefined_Bond_Stereo_Count	0
161122	Defined_Bond_Stereo_Count	0
60196390	Non-hydrogen_Atom_Count	19
22125	Isotope_Atom_Count	0
5311272	Molecular_Weight	432.5
108313	Hydrogen_Bond_Donor_Count	0
11716665	Hydrogen_Bond_Donor_Count	1
8660	Structure_Complexity	229
59999797	Hydrogen_Bond_Acceptor_Count	1
11522448	Non-hydrogen_Atom_Count	20
86013	Mono_Isotopic_Weight	219.162314293
5156	Total_Formal_Charge	0
42613186	Molecular_Weight	592.7
4507	Undefined_Bond_Stereo_Count	0
38018	Hydrogen_Bond_Acceptor_Count	0
20689	Undefined_Bond_Stereo_Count	0
21087	Molecular_Weight	294.4
11081093	Non-hydrogen_Atom_Count	33
7655	XLogP3	3.3
5282315	Non-hydrogen_Atom_Count	58
239377	Isotope_Atom_Count	0
5253	XLogP3	0.2
12397138	Exact_Mass	98.073164938
5359353	TPSA	49.8
136270342	Molecular_Weight	99.09
24958200	Structure_Complexity	449
43507	Covalent_Unit_Count	1
9625	Covalent_Unit_Count	1
32068	Hydrogen_Bond_Donor_Count	2
5283853	Structure_Complexity	637
3078	Defined_Bond_Stereo_Count	0
38853	Rotatable_Bond_Count	3
3081372	Undefined_Bond_Stereo_Count	0
129754695	Hydrogen_Bond_Donor_Count	0
33184	Hydrogen_Bond_Acceptor_Count	2
12729	Mono_Isotopic_Weight	212.177630004
14464337	TPSA	213
70694228	Undefined_Bond_Stereo_Count	0
24901351	Total_Formal_Charge	0
20693488	Structure_Complexity	28.7
59743205	Total_Formal_Charge	0
153088	Hydrogen_Bond_Acceptor_Count	5
11412863	Defined_Atom_Stereo_Count	4
61753	Undefined_Atom_Stereo_Count	0
18273	Tautomer_Count	1
16722832	Molecular_Weight	509.7
21322	Undefined_Bond_Stereo_Count	0
57751145	Molecular_Weight	99.09
9556	Defined_Bond_Stereo_Count	0
146158781	Covalent_Unit_Count	2
9737	Defined_Atom_Stereo_Count	0
6433	Defined_Atom_Stereo_Count	0
124328800	Total_Formal_Charge	0
16120	Isotope_Atom_Count	0
3037131	Defined_Atom_Stereo_Count	0
16219954	Hydrogen_Bond_Donor_Count	0
24866867	Rotatable_Bond_Count	7
102402986	Defined_Atom_Stereo_Count	0
6778	TPSA	52.6
80108978	Molecular_Weight	112.13
7342	Hydrogen_Bond_Acceptor_Count	2
67614074	Rotatable_Bond_Count	1
122195	Defined_Atom_Stereo_Count	6
2215	Undefined_Bond_Stereo_Count	0
53898601	Molecular_Weight	116.16
77266	XLogP3-AA	7.4
10486817	Structure_Complexity	104
3943	Covalent_Unit_Count	1
604519	Covalent_Unit_Count	1
16005262	Mono_Isotopic_Weight	98.084398327
154095	Non-hydrogen_Atom_Count	37
170530	Covalent_Unit_Count	1
18924154	Covalent_Unit_Count	1
306211	Hydrogen_Bond_Acceptor_Count	3
135019428	Total_Formal_Charge	0
8969	Molecular_Weight	354.4
66073187	Isotope_Atom_Count	0
573592	Undefined_Bond_Stereo_Count	0
12488467	Defined_Bond_Stereo_Count	0
68380382	Structure_Complexity	113
11611	Total_Formal_Charge	0
17187	Rotatable_Bond_Count	24
3346	Exact_Mass	278.02002368
43991	Undefined_Atom_Stereo_Count	0
24762228	Defined_Atom_Stereo_Count	2
9956119	Tautomer_Count	14
6450800	Defined_Bond_Stereo_Count	1
22027387	Undefined_Atom_Stereo_Count	0
11592	Total_Formal_Charge	0
5363388	Hydrogen_Bond_Acceptor_Count	2
12362	Undefined_Atom_Stereo_Count	0
39018	Defined_Atom_Stereo_Count	0
14890212	Undefined_Bond_Stereo_Count	0
632332	Exact_Mass	361.1345753
3798	Covalent_Unit_Count	1
70682213	Undefined_Atom_Stereo_Count	0
11593431	Hydrogen_Bond_Acceptor_Count	2
5281522	XLogP3-AA	4.4
38235	Defined_Atom_Stereo_Count	0
12268621	Isotope_Atom_Count	0
6934	XLogP3-AA	0.9
233208	Isotope_Atom_Count	0
11116296	Undefined_Atom_Stereo_Count	2
16721	Non-hydrogen_Atom_Count	19
6219	Non-hydrogen_Atom_Count	22
131750204	Isotope_Atom_Count	0
67950444	Covalent_Unit_Count	1
12076	Hydrogen_Bond_Acceptor_Count	5
78006	XLogP3-AA	2.1
23450	TPSA	63.3
732872	TPSA	54
44567678	Covalent_Unit_Count	1
22328014	Mono_Isotopic_Weight	114.00654193
71309028	Undefined_Bond_Stereo_Count	0
21786118	Covalent_Unit_Count	1
75531	Defined_Atom_Stereo_Count	0
87149	Undefined_Bond_Stereo_Count	0
409350	Defined_Atom_Stereo_Count	0
81869	XLogP3	4.5
65710	Non-hydrogen_Atom_Count	27
3966	Mono_Isotopic_Weight	234.209598838
91464	Covalent_Unit_Count	1
2566	Undefined_Bond_Stereo_Count	0
155142	Hydrogen_Bond_Donor_Count	0
70689311	Covalent_Unit_Count	3
2764068	Covalent_Unit_Count	1
6262	Structure_Complexity	95
66577116	Undefined_Atom_Stereo_Count	1
116842253	TPSA	23.8
154171248	Exact_Mass	97.052763847
18757800	Isotope_Atom_Count	0
68009306	Defined_Bond_Stereo_Count	0
56649463	Isotope_Atom_Count	0
537148	TPSA	12.5
12259684	Structure_Complexity	506
14017	Tautomer_Count	1
101625661	Non-hydrogen_Atom_Count	29
26546	Non-hydrogen_Atom_Count	24
5311281	Undefined_Bond_Stereo_Count	0
4724212	Structure_Complexity	67.5
16048558	Hydrogen_Bond_Acceptor_Count	3
136649	Mono_Isotopic_Weight	108.093900383
129317940	Mono_Isotopic_Weight	412.16814520
668508	Rotatable_Bond_Count	4
20136721	Hydrogen_Bond_Acceptor_Count	2
84647703	Non-hydrogen_Atom_Count	8
30951	XLogP3	2.5
530132	Covalent_Unit_Count	1
78452	Tautomer_Count	1
123133923	TPSA	70.1
28207	Tautomer_Count	3
5354264	Defined_Atom_Stereo_Count	0
15851	Isotope_Atom_Count	0
575734	Undefined_Atom_Stereo_Count	0
31811	Non-hydrogen_Atom_Count	16
23625795	Defined_Bond_Stereo_Count	0
39198	Tautomer_Count	2
9843750	Isotope_Atom_Count	0
44445387	TPSA	79
66002	Covalent_Unit_Count	1
9810709	Undefined_Atom_Stereo_Count	0
86063	Rotatable_Bond_Count	2
2595	Defined_Atom_Stereo_Count	0
11278075	Undefined_Bond_Stereo_Count	0
38668	Rotatable_Bond_Count	3
23676152	Total_Formal_Charge	0
10290744	Total_Formal_Charge	0
88734521	Undefined_Atom_Stereo_Count	2
53167	Hydrogen_Bond_Donor_Count	1
120738	Rotatable_Bond_Count	4
14869	Structure_Complexity	266
11725766	TPSA	46.3
6293	Covalent_Unit_Count	1
2778574	Total_Formal_Charge	0
16091082	Defined_Bond_Stereo_Count	0
72604488	Structure_Complexity	88.2
446916	XLogP3-AA	2.9
56928187	Non-hydrogen_Atom_Count	17
2451	Isotope_Atom_Count	0
14242109	Mono_Isotopic_Weight	114.104465066
60374	Rotatable_Bond_Count	3
53701	Undefined_Bond_Stereo_Count	0
11860	Molecular_Weight	177.03
139852	Rotatable_Bond_Count	2
5608	Structure_Complexity	1420
19903	Structure_Complexity	58.6
414243	Hydrogen_Bond_Donor_Count	2
8791	Undefined_Atom_Stereo_Count	0
115089	Tautomer_Count	45
449107	Structure_Complexity	708
5977	Total_Formal_Charge	0
10797	TPSA	13.1
5282203	Hydrogen_Bond_Donor_Count	1
303	Non-hydrogen_Atom_Count	29
102470202	TPSA	264
2733336	Structure_Complexity	10.8
165154846	Hydrogen_Bond_Acceptor_Count	2
49652396	Non-hydrogen_Atom_Count	85
137814	Covalent_Unit_Count	1
14656672	TPSA	70
21470	Defined_Atom_Stereo_Count	2
47965	Non-hydrogen_Atom_Count	25
176448	XLogP3-AA	0.6
9905875	Mono_Isotopic_Weight	338.11879497
121734	XLogP3-AA	2.3
84605	Structure_Complexity	129
141201	TPSA	0
71072050	Isotope_Atom_Count	0
14437479	Non-hydrogen_Atom_Count	8
66536	Isotope_Atom_Count	0
12313	Defined_Atom_Stereo_Count	0
54418364	Covalent_Unit_Count	1
130804992	TPSA	21.3
3032854	Defined_Bond_Stereo_Count	0
3033621	Tautomer_Count	3
6450173	Undefined_Atom_Stereo_Count	0
8527	Defined_Bond_Stereo_Count	0
179668	TPSA	49.3
134593	Structure_Complexity	131
7212	XLogP3	3.8
67615000	Undefined_Atom_Stereo_Count	1
3566445	Mono_Isotopic_Weight	94.98029013
3857	Hydrogen_Bond_Donor_Count	4
6995013	Defined_Atom_Stereo_Count	1
21117948	Hydrogen_Bond_Donor_Count	0
82185	Hydrogen_Bond_Donor_Count	1
798232	Total_Formal_Charge	0
19736307	Non-hydrogen_Atom_Count	38
898	Molecular_Weight	301.19
441141	Hydrogen_Bond_Donor_Count	19
81129	XLogP3	2.4
54677946	Defined_Atom_Stereo_Count	0
5288700	TPSA	174
447029	Undefined_Bond_Stereo_Count	0
71449750	Structure_Complexity	726
23665730	Hydrogen_Bond_Donor_Count	0
637921	Exact_Mass	67.042199164
98042	Undefined_Bond_Stereo_Count	0
69550	Total_Formal_Charge	0
56845689	Total_Formal_Charge	0
11163584	Hydrogen_Bond_Acceptor_Count	5
3891	Isotope_Atom_Count	0
64	TPSA	40.5
3037171	TPSA	180
49865493	Hydrogen_Bond_Acceptor_Count	3
72014	Covalent_Unit_Count	1
91365800	Structure_Complexity	96.3
16695	Hydrogen_Bond_Acceptor_Count	0
4646	XLogP3	1.6
10972974	Rotatable_Bond_Count	12
11388558	Rotatable_Bond_Count	5
7239	Isotope_Atom_Count	0
11485656	Hydrogen_Bond_Donor_Count	4
8425	Undefined_Bond_Stereo_Count	0
131125742	Molecular_Weight	95.14
11315250	Total_Formal_Charge	0
78514	Undefined_Bond_Stereo_Count	0
5460094	Undefined_Atom_Stereo_Count	1
124426476	Defined_Atom_Stereo_Count	8
23724817	Isotope_Atom_Count	0
442374	Defined_Atom_Stereo_Count	0
13555	Hydrogen_Bond_Acceptor_Count	0
123744867	Total_Formal_Charge	0
5111	Structure_Complexity	615
61833	Rotatable_Bond_Count	0
3321360	Structure_Complexity	149
19375411	Structure_Complexity	119
77996	Hydrogen_Bond_Acceptor_Count	3
16113753	Undefined_Bond_Stereo_Count	0
58516110	Hydrogen_Bond_Donor_Count	2
10350561	Covalent_Unit_Count	1
10075	Isotope_Atom_Count	0
17166	Hydrogen_Bond_Donor_Count	0
130144828	Undefined_Bond_Stereo_Count	0
12477	Total_Formal_Charge	0
93184	Defined_Bond_Stereo_Count	0
130026523	Molecular_Weight	110.15
23700068	Defined_Atom_Stereo_Count	0
5309581	TPSA	104
55263	Non-hydrogen_Atom_Count	16
2546	Undefined_Atom_Stereo_Count	2
559740	Molecular_Weight	129.24
89311461	Molecular_Weight	114.15
49868370	XLogP3	0.9
9984	Defined_Atom_Stereo_Count	0
25137956	Defined_Bond_Stereo_Count	0
139073990	Molecular_Weight	284.35
73698	Mono_Isotopic_Weight	236.083729621
688020	TPSA	20.3
5020115	Molecular_Weight	88.13
72214	Hydrogen_Bond_Acceptor_Count	7
6594	Hydrogen_Bond_Acceptor_Count	3
29742	Tautomer_Count	13
71622	Structure_Complexity	612
73124	Rotatable_Bond_Count	3
72930	Hydrogen_Bond_Acceptor_Count	4
65731	Undefined_Bond_Stereo_Count	0
102201652	Non-hydrogen_Atom_Count	34
1473603	Rotatable_Bond_Count	4
56680336	XLogP3-AA	3.7
9939609	TPSA	81.5
521324	Total_Formal_Charge	0
13803506	Undefined_Atom_Stereo_Count	0
12341793	Total_Formal_Charge	0
8733	Defined_Atom_Stereo_Count	0
540327	Exact_Mass	284.16237386
70986	Mono_Isotopic_Weight	228.01498
9013	Covalent_Unit_Count	1
453131	Rotatable_Bond_Count	3
220861	Defined_Bond_Stereo_Count	0
11815279	Isotope_Atom_Count	0
23667628	Isotope_Atom_Count	0
374346	Defined_Bond_Stereo_Count	0
12101	Exact_Mass	122.073164938
318	Undefined_Bond_Stereo_Count	1
24901285	Molecular_Weight	546.5
6713312	Hydrogen_Bond_Acceptor_Count	3
62525	Molecular_Weight	431.10
141343693	Undefined_Atom_Stereo_Count	2
11338033	Defined_Atom_Stereo_Count	0
102601697	Undefined_Bond_Stereo_Count	0
8993	Rotatable_Bond_Count	6
22481847	Hydrogen_Bond_Acceptor_Count	2
14306122	TPSA	52.6
5893	Non-hydrogen_Atom_Count	44
149026	Structure_Complexity	152
5362440	Defined_Bond_Stereo_Count	0
14577976	Undefined_Atom_Stereo_Count	0
68948183	Hydrogen_Bond_Donor_Count	1
5352062	Total_Formal_Charge	0
147740	Defined_Atom_Stereo_Count	15
153274329	Hydrogen_Bond_Donor_Count	4
54736666	Exact_Mass	934.33559865
13789	Hydrogen_Bond_Acceptor_Count	3
4978	TPSA	176
17940308	Covalent_Unit_Count	1
68337933	Undefined_Atom_Stereo_Count	1
23690206	Defined_Atom_Stereo_Count	13
102182857	Mono_Isotopic_Weight	358.1926522
24900685	Molecular_Weight	464.6
9967055	Molecular_Weight	324.4
439356	Non-hydrogen_Atom_Count	15
135423095	Covalent_Unit_Count	2
122173799	Exact_Mass	1095.46702979
435111	Defined_Atom_Stereo_Count	0
16682953	Defined_Bond_Stereo_Count	0
6364620	Undefined_Atom_Stereo_Count	5
10316809	Covalent_Unit_Count	1
19458	Mono_Isotopic_Weight	473.94157537
398116	Isotope_Atom_Count	0
65793	TPSA	80.3
5310993	Exact_Mass	154.03784206
62705863	Defined_Bond_Stereo_Count	0
253878	Isotope_Atom_Count	0
22525422	XLogP3	3.1
12695899	Mono_Isotopic_Weight	110.073164938
21130160	Structure_Complexity	88.4
3081358	Total_Formal_Charge	0
54236977	Undefined_Atom_Stereo_Count	2
146158506	XLogP3-AA	2.5
69440016	Non-hydrogen_Atom_Count	44
426	Rotatable_Bond_Count	11
749560	Covalent_Unit_Count	1
716312	TPSA	63.3
60144418	Defined_Atom_Stereo_Count	0
449223	Molecular_Weight	431.6
11951725	TPSA	108
224241	TPSA	9.2
2559	Undefined_Bond_Stereo_Count	0
12278295	Undefined_Atom_Stereo_Count	0
9420	Defined_Bond_Stereo_Count	0
9805	Rotatable_Bond_Count	0
3811882	Undefined_Atom_Stereo_Count	0
223407	Isotope_Atom_Count	0
400010	Rotatable_Bond_Count	1
19665	Hydrogen_Bond_Donor_Count	1
138375	Total_Formal_Charge	0
6144	Rotatable_Bond_Count	7
22083393	Molecular_Weight	100.08
129846269	Hydrogen_Bond_Donor_Count	1
69834	Tautomer_Count	1
40703	Undefined_Bond_Stereo_Count	0
17776820	Defined_Bond_Stereo_Count	0
16682828	Undefined_Atom_Stereo_Count	0
13297684	Total_Formal_Charge	0
23545554	Undefined_Bond_Stereo_Count	0
2914	Exact_Mass	416.1754371
270901	Covalent_Unit_Count	1
13092476	Hydrogen_Bond_Acceptor_Count	2
129009953	Defined_Bond_Stereo_Count	0
82418997	Defined_Bond_Stereo_Count	0
114839	Undefined_Atom_Stereo_Count	0
62719	Mono_Isotopic_Weight	218.13382109
16395512	Exact_Mass	822.40378589
25588	Defined_Bond_Stereo_Count	0
159924	TPSA	92.1
16710	Rotatable_Bond_Count	7
17848742	Hydrogen_Bond_Donor_Count	1
54712709	Defined_Bond_Stereo_Count	0
15214552	Isotope_Atom_Count	0
707	TPSA	20.2
94866	Undefined_Bond_Stereo_Count	0
18314545	Defined_Atom_Stereo_Count	0
71300750	Structure_Complexity	533
53943526	Rotatable_Bond_Count	0
21614503	Isotope_Atom_Count	0
237041	Hydrogen_Bond_Donor_Count	1
52949760	Hydrogen_Bond_Acceptor_Count	4
139593469	Hydrogen_Bond_Acceptor_Count	20
5845	Exact_Mass	387.13675280
135508048	Defined_Atom_Stereo_Count	0
83163	Undefined_Atom_Stereo_Count	0
517361	Exact_Mass	101.1011942
24458	Mono_Isotopic_Weight	125.872641
85252	Mono_Isotopic_Weight	160.091956283
88269064	Exact_Mass	113.047678466
21490213	Hydrogen_Bond_Acceptor_Count	2
141168949	Isotope_Atom_Count	0
122	Non-hydrogen_Atom_Count	14
53395363	Hydrogen_Bond_Donor_Count	2
22978371	Undefined_Bond_Stereo_Count	0
13785328	Hydrogen_Bond_Acceptor_Count	5
36613	TPSA	18.5
2781343	Exact_Mass	230.9312403
398592	Non-hydrogen_Atom_Count	19
143682218	Exact_Mass	95.073499291
20739	Exact_Mass	142.135765193
3655	Hydrogen_Bond_Donor_Count	2
4066245	Rotatable_Bond_Count	3
556051	Exact_Mass	106.041864811
5475462	Exact_Mass	153.151749610
637520	Defined_Bond_Stereo_Count	1
154825180	Mono_Isotopic_Weight	527.23263824
5169496	Non-hydrogen_Atom_Count	11
66825	Exact_Mass	188.02556330
3203	Exact_Mass	315.0273907
9543528	Isotope_Atom_Count	0
259331	Exact_Mass	439.1680992
5311504	Rotatable_Bond_Count	3
129654479	Exact_Mass	84.021129366
8437	Non-hydrogen_Atom_Count	23
75691	Defined_Atom_Stereo_Count	0
18867	TPSA	48.1
15920952	XLogP3-AA	1
5284566	Isotope_Atom_Count	0
21356643	XLogP3-AA	0.4
16130571	Undefined_Atom_Stereo_Count	0
71738	Defined_Bond_Stereo_Count	0
5284329	Mono_Isotopic_Weight	520.25867428
9462	Defined_Atom_Stereo_Count	0
57928403	XLogP3-AA	1.9
11102	Non-hydrogen_Atom_Count	38
85056	Defined_Bond_Stereo_Count	0
18981712	TPSA	3.2
23681559	Tautomer_Count	6
4369491	XLogP3-AA	3.5
138510	Total_Formal_Charge	0
11611	Hydrogen_Bond_Donor_Count	0
12040510	Defined_Bond_Stereo_Count	0
17847	Defined_Atom_Stereo_Count	0
162990684	Molecular_Weight	665.7
46886975	Exact_Mass	378.10718492
68002	TPSA	74
18212	Structure_Complexity	166
65784	Hydrogen_Bond_Acceptor_Count	4
94508	Isotope_Atom_Count	0
45484135	Non-hydrogen_Atom_Count	35
89990549	Non-hydrogen_Atom_Count	7
2325	Structure_Complexity	374
5284342	Defined_Bond_Stereo_Count	0
67413	Structure_Complexity	467
12285871	Undefined_Bond_Stereo_Count	0
2734164	Isotope_Atom_Count	0
14200855	Defined_Bond_Stereo_Count	0
2724896	Undefined_Atom_Stereo_Count	0
13912815	Mono_Isotopic_Weight	328.13107373
23643936	Molecular_Weight	893.2
15576830	Mono_Isotopic_Weight	98.084398327
96389	Exact_Mass	145.052763847
642633	Molecular_Weight	114.19
6426849	Rotatable_Bond_Count	7
13635047	Non-hydrogen_Atom_Count	8
14133354	Hydrogen_Bond_Donor_Count	0
57417230	Hydrogen_Bond_Donor_Count	5
65573725	Total_Formal_Charge	0
73442	Hydrogen_Bond_Donor_Count	0
9852176	Defined_Atom_Stereo_Count	2
509147	Mono_Isotopic_Weight	296.12214376
16129682	Hydrogen_Bond_Acceptor_Count	62
71309028	Undefined_Atom_Stereo_Count	0
15590756	Defined_Atom_Stereo_Count	0
137321858	Structure_Complexity	982
4302	Mono_Isotopic_Weight	233.03242232
3081387	Hydrogen_Bond_Acceptor_Count	18
14187216	Covalent_Unit_Count	1
3437	Undefined_Bond_Stereo_Count	0
5486194	Undefined_Atom_Stereo_Count	0
123156	Isotope_Atom_Count	0
37521	Rotatable_Bond_Count	4
55804	Structure_Complexity	150
387316	Rotatable_Bond_Count	7
9898279	Defined_Bond_Stereo_Count	0
2337	Defined_Atom_Stereo_Count	0
12657448	Defined_Bond_Stereo_Count	0
118719297	Hydrogen_Bond_Donor_Count	3
40926	Total_Formal_Charge	0
528917	Hydrogen_Bond_Acceptor_Count	2
220773	Undefined_Atom_Stereo_Count	0
4048	Defined_Bond_Stereo_Count	0
36688207	Hydrogen_Bond_Acceptor_Count	2
11648276	Mono_Isotopic_Weight	460.15109573
7650	Rotatable_Bond_Count	5
3033151	Defined_Bond_Stereo_Count	0
71449750	Isotope_Atom_Count	0
11908490	Undefined_Atom_Stereo_Count	0
1119	Exact_Mass	63.96190041
85145	Rotatable_Bond_Count	16
135887830	Hydrogen_Bond_Donor_Count	21
5897	Molecular_Weight	223.27
20561708	Mono_Isotopic_Weight	97.027611728
5284537	XLogP3-AA	3.1
11285653	Tautomer_Count	1
135459971	Exact_Mass	323.00179
96221	Hydrogen_Bond_Donor_Count	3
118701038	Rotatable_Bond_Count	0
4846	Non-hydrogen_Atom_Count	23
44119936	Undefined_Atom_Stereo_Count	0
322	Structure_Complexity	178
444863	Exact_Mass	164.06847348
44152553	XLogP3-AA	6.4
8859	Exact_Mass	102.05416083
180288	Exact_Mass	724.3998305
30097	Undefined_Bond_Stereo_Count	0
82593533	Defined_Atom_Stereo_Count	0
527559	Total_Formal_Charge	0
409746	Rotatable_Bond_Count	1
547110	Isotope_Atom_Count	0
15565266	Hydrogen_Bond_Donor_Count	2
42840	Mono_Isotopic_Weight	337.862653
10873438	Molecular_Weight	416.6
58881	TPSA	49.8
9548620	Defined_Bond_Stereo_Count	1
12381421	TPSA	12.5
53834604	TPSA	18.5
159755	Hydrogen_Bond_Donor_Count	1
154699876	Covalent_Unit_Count	1
13401731	Molecular_Weight	83.13
6433076	Structure_Complexity	346
10695961	Defined_Atom_Stereo_Count	2
15664	TPSA	25.8
6432198	Mono_Isotopic_Weight	222.173213330
129866077	Covalent_Unit_Count	1
154489025	Structure_Complexity	119
20798667	Structure_Complexity	48.1
224001	Isotope_Atom_Count	0
32184	TPSA	90.5
118513932	XLogP3-AA	0.5
104904	Non-hydrogen_Atom_Count	14
213049	Structure_Complexity	745
72200037	Exact_Mass	473.29795982
71165	Tautomer_Count	2
25106	Undefined_Bond_Stereo_Count	0
118701038	Exact_Mass	363.872766
47035	Rotatable_Bond_Count	4
74320	Undefined_Atom_Stereo_Count	0
76500	Structure_Complexity	180
6419765	Non-hydrogen_Atom_Count	18
3246	Rotatable_Bond_Count	0
3832	Molecular_Weight	347.33
12213511	Structure_Complexity	139
11539562	Mono_Isotopic_Weight	445.11618739
129859073	Defined_Bond_Stereo_Count	0
137700140	Mono_Isotopic_Weight	369.0880191
96034	Hydrogen_Bond_Acceptor_Count	1
114801	TPSA	37.3
39764	Defined_Atom_Stereo_Count	10
46196517	Defined_Bond_Stereo_Count	0
516919	Undefined_Bond_Stereo_Count	0
171284	Mono_Isotopic_Weight	582.20608914
27903	Total_Formal_Charge	0
5281042	Molecular_Weight	1029.3
142559332	Exact_Mass	111.068413911
25144717	Defined_Bond_Stereo_Count	1
72157	Exact_Mass	266.07251349
20136781	Structure_Complexity	1010
146049032	Defined_Bond_Stereo_Count	0
6604472	Hydrogen_Bond_Donor_Count	3
2723733	TPSA	200
1040	Covalent_Unit_Count	1
443239	Covalent_Unit_Count	1
38674	Defined_Bond_Stereo_Count	0
129709955	Exact_Mass	250.172150702
16051040	Covalent_Unit_Count	1
101973938	Mono_Isotopic_Weight	411.24095853
11559	XLogP3-AA	0.6
5059	XLogP3-AA	5.2
2566	Defined_Atom_Stereo_Count	0
439568	Tautomer_Count	1
6419707	Non-hydrogen_Atom_Count	22
5365642	Total_Formal_Charge	0
11936	TPSA	0
558	Exact_Mass	173.08004122
20054964	Rotatable_Bond_Count	12
30552	Defined_Atom_Stereo_Count	3
123298537	Non-hydrogen_Atom_Count	8
163771360	Rotatable_Bond_Count	2
121249	Defined_Bond_Stereo_Count	0
4885	Tautomer_Count	2
5492688	Rotatable_Bond_Count	6
24853	Undefined_Atom_Stereo_Count	0
361762	Structure_Complexity	128
5361871	Defined_Atom_Stereo_Count	2
135565940	Isotope_Atom_Count	0
29761	Rotatable_Bond_Count	11
35935	Mono_Isotopic_Weight	251.0713064
9190	Isotope_Atom_Count	0
471583	Structure_Complexity	341
5284452	Defined_Bond_Stereo_Count	0
129859050	Undefined_Atom_Stereo_Count	1
443046	XLogP3	6.1
34844	Hydrogen_Bond_Acceptor_Count	6
3325	Hydrogen_Bond_Acceptor_Count	8
79828	Exact_Mass	157.93523489
5289295	Tautomer_Count	1
60154326	Defined_Bond_Stereo_Count	0
129860447	Exact_Mass	87.068413911
92563	Defined_Bond_Stereo_Count	0
7067872	XLogP3	0.9
56928060	Isotope_Atom_Count	0
36246	Undefined_Bond_Stereo_Count	0
15439202	Undefined_Atom_Stereo_Count	2
6908	XLogP3	4.6
12312963	Total_Formal_Charge	0
721456	Undefined_Bond_Stereo_Count	0
2315	Exact_Mass	421.03778277
12508	Covalent_Unit_Count	1
5318517	Non-hydrogen_Atom_Count	25
21047	Defined_Bond_Stereo_Count	0
2801745	Undefined_Atom_Stereo_Count	0
5353593	Total_Formal_Charge	0
213840	Hydrogen_Bond_Donor_Count	0
439811	Rotatable_Bond_Count	3
280	XLogP3-AA	0.9
5801	Isotope_Atom_Count	0
83295	Rotatable_Bond_Count	18
9432	Hydrogen_Bond_Acceptor_Count	2
9810873	Exact_Mass	775.42686180
54394679	Exact_Mass	108.043596145
1	Covalent_Unit_Count	1
102821	Defined_Atom_Stereo_Count	0
12585	XLogP3-AA	2.1
13346655	XLogP3-AA	1.2
973350	Hydrogen_Bond_Donor_Count	0
24762228	Total_Formal_Charge	0
6484	Hydrogen_Bond_Acceptor_Count	0
3427828	Undefined_Bond_Stereo_Count	0
4005	Molecular_Weight	529.7
9576002	Hydrogen_Bond_Donor_Count	7
162918373	Total_Formal_Charge	0
19997	Defined_Atom_Stereo_Count	0
6475274	Isotope_Atom_Count	0
15208558	Undefined_Bond_Stereo_Count	0
916	Non-hydrogen_Atom_Count	17
15110004	Exact_Mass	114.068079557
94508	XLogP3-AA	2.2
12302671	TPSA	190
12242815	Hydrogen_Bond_Acceptor_Count	1
10255142	Covalent_Unit_Count	2
5281067	Total_Formal_Charge	0
44558863	Isotope_Atom_Count	0
68547	Rotatable_Bond_Count	3
11094575	Hydrogen_Bond_Donor_Count	1
3913	Undefined_Bond_Stereo_Count	0
5282437	Structure_Complexity	1060
494937	Exact_Mass	345.08082906
17882607	XLogP3-AA	0.6
28292	Structure_Complexity	276
69677	Exact_Mass	134.00918253
216287	Rotatable_Bond_Count	3
2386	Undefined_Atom_Stereo_Count	0
523523	XLogP3-AA	2.3
105054	Exact_Mass	380.7134
63412	Molecular_Weight	415.9
71226662	Molecular_Weight	465.5
165337	TPSA	40.1
57322830	Molecular_Weight	116.11
89268685	Covalent_Unit_Count	1
5173	Exact_Mass	204.11100700
127832	Tautomer_Count	1
801164	Non-hydrogen_Atom_Count	22
13961743	Defined_Atom_Stereo_Count	0
13601830	Defined_Atom_Stereo_Count	0
832495	Defined_Atom_Stereo_Count	0
62865	Undefined_Bond_Stereo_Count	0
99807	Rotatable_Bond_Count	7
12990	Total_Formal_Charge	0
143228476	Defined_Atom_Stereo_Count	0
21428	Defined_Bond_Stereo_Count	0
54915	XLogP3-AA	6.2
6323236	Defined_Bond_Stereo_Count	3
143466591	Molecular_Weight	101.15
579675	Defined_Atom_Stereo_Count	0
24763119	Undefined_Atom_Stereo_Count	0
9815559	Covalent_Unit_Count	1
51947	Molecular_Weight	377.27
102594	Non-hydrogen_Atom_Count	7
135418373	Defined_Bond_Stereo_Count	0
2576591	Total_Formal_Charge	0
60946	Tautomer_Count	1
44457029	Isotope_Atom_Count	0
10801933	Exact_Mass	97.089149355
53630039	Exact_Mass	90.031694049
141772581	Hydrogen_Bond_Acceptor_Count	1
123611	TPSA	901
69	Mono_Isotopic_Weight	156.04225873
13443454	TPSA	20.2
5093953	Exact_Mass	228.04428736
82167	Undefined_Bond_Stereo_Count	0
24757913	TPSA	206
289847	TPSA	63.8
551778	Total_Formal_Charge	0
3172	Isotope_Atom_Count	0
11185	Defined_Atom_Stereo_Count	0
135565042	Non-hydrogen_Atom_Count	29
692	XLogP3-AA	2.3
54719543	Mono_Isotopic_Weight	589.37404364
1607	Exact_Mass	168.05349212
28429	Structure_Complexity	98.3
69341841	Rotatable_Bond_Count	0
22138130	Mono_Isotopic_Weight	116.083729621
92840	Mono_Isotopic_Weight	164.083729621
15566028	Hydrogen_Bond_Donor_Count	2
8425	Defined_Atom_Stereo_Count	0
44571105	Isotope_Atom_Count	0
11326928	Defined_Bond_Stereo_Count	0
55286286	Hydrogen_Bond_Donor_Count	1
27112	TPSA	89.7
80779	Hydrogen_Bond_Donor_Count	2
541660	XLogP3-AA	1.3
56944144	TPSA	77
9604	Exact_Mass	129.9985560
12805738	Structure_Complexity	144
18506394	Undefined_Atom_Stereo_Count	3
11567	Hydrogen_Bond_Donor_Count	0
543069	Total_Formal_Charge	0
84921	Exact_Mass	129.115364102
80900	Undefined_Atom_Stereo_Count	0
5288606	Hydrogen_Bond_Acceptor_Count	1
66169	Undefined_Atom_Stereo_Count	0
72790	Defined_Bond_Stereo_Count	0
25106	Defined_Atom_Stereo_Count	0
71946	Hydrogen_Bond_Acceptor_Count	6
11228765	Isotope_Atom_Count	0
10892	Isotope_Atom_Count	0
97428	Covalent_Unit_Count	1
6041	Hydrogen_Bond_Acceptor_Count	3
15805	TPSA	21.7
25006688	Defined_Bond_Stereo_Count	0
573553	Undefined_Bond_Stereo_Count	0
5975	Undefined_Bond_Stereo_Count	0
44377662	Isotope_Atom_Count	0
13019052	Rotatable_Bond_Count	6
13624608	Exact_Mass	189.053826475
12550	Hydrogen_Bond_Donor_Count	3
10093379	Undefined_Bond_Stereo_Count	0
69605	Defined_Atom_Stereo_Count	0
95010	Non-hydrogen_Atom_Count	12
62705687	Defined_Atom_Stereo_Count	0
44129647	Structure_Complexity	585
16052015	Isotope_Atom_Count	0
13551	Total_Formal_Charge	0
156618034	Hydrogen_Bond_Acceptor_Count	11
14543958	Isotope_Atom_Count	0
6433415	Rotatable_Bond_Count	2
734884	Undefined_Atom_Stereo_Count	0
93009	Molecular_Weight	196.29
123413	Defined_Bond_Stereo_Count	0
21889252	TPSA	46.5
71401	Covalent_Unit_Count	2
10941315	Isotope_Atom_Count	0
135480785	Hydrogen_Bond_Donor_Count	7
3835970	Defined_Bond_Stereo_Count	0
97727	Rotatable_Bond_Count	2
34306	Exact_Mass	204.11840105
850502	Structure_Complexity	340
2724279	Hydrogen_Bond_Acceptor_Count	3
42040	Non-hydrogen_Atom_Count	15
10930781	Defined_Atom_Stereo_Count	2
22160831	Structure_Complexity	113
6688	XLogP3	3.7
135398515	Hydrogen_Bond_Donor_Count	1
1261	Undefined_Atom_Stereo_Count	1
12298391	Defined_Atom_Stereo_Count	0
7392	Structure_Complexity	143
51417552	Exact_Mass	288.17254462
11062312	Hydrogen_Bond_Acceptor_Count	1
254656	Defined_Bond_Stereo_Count	0
580753	Undefined_Bond_Stereo_Count	0
8490	Molecular_Weight	222.12
15586	Hydrogen_Bond_Donor_Count	0
101176453	Molecular_Weight	1034.2
12218383	Defined_Bond_Stereo_Count	0
169148	Exact_Mass	202.14297583
2034	Rotatable_Bond_Count	2
57515833	Isotope_Atom_Count	0
89334461	TPSA	93.2
954767	Rotatable_Bond_Count	4
12962	TPSA	46.3
546482	Non-hydrogen_Atom_Count	21
14463	Rotatable_Bond_Count	3
18380143	Undefined_Bond_Stereo_Count	0
7512	Total_Formal_Charge	0
31767	Covalent_Unit_Count	1
148429079	Defined_Atom_Stereo_Count	0
11182575	Mono_Isotopic_Weight	98.073164938
3730	Undefined_Atom_Stereo_Count	3
9843941	Mono_Isotopic_Weight	400.19982200
20561716	Molecular_Weight	97.08
57398329	Hydrogen_Bond_Acceptor_Count	9
12285870	Total_Formal_Charge	0
76365	Defined_Atom_Stereo_Count	0
694728	Defined_Bond_Stereo_Count	1
10898675	Exact_Mass	112.052429494
76403	Undefined_Atom_Stereo_Count	0
135398679	Structure_Complexity	250
12648201	Covalent_Unit_Count	1
143286	Undefined_Bond_Stereo_Count	0
25256832	Exact_Mass	276.16985928
22986754	Defined_Bond_Stereo_Count	0
55472	Rotatable_Bond_Count	21
11970261	Defined_Bond_Stereo_Count	3
13445099	Undefined_Atom_Stereo_Count	0
57394211	Rotatable_Bond_Count	9
11704019	Total_Formal_Charge	0
13198341	Hydrogen_Bond_Donor_Count	3
25263414	Covalent_Unit_Count	1
57583195	Defined_Atom_Stereo_Count	0
156595906	Undefined_Atom_Stereo_Count	8
694983	Hydrogen_Bond_Acceptor_Count	5
14866	Molecular_Weight	223.27
156616838	Rotatable_Bond_Count	4
13159184	Undefined_Atom_Stereo_Count	1
12290	Undefined_Bond_Stereo_Count	0
36576	Defined_Atom_Stereo_Count	0
71309208	Hydrogen_Bond_Acceptor_Count	0
14794988	Non-hydrogen_Atom_Count	8
20515773	Undefined_Bond_Stereo_Count	0
33778657	Undefined_Atom_Stereo_Count	0
20591	Defined_Atom_Stereo_Count	0
153067665	Non-hydrogen_Atom_Count	8
91825716	Molecular_Weight	245.32
143888994	Undefined_Atom_Stereo_Count	0
155087254	Defined_Atom_Stereo_Count	6
89019320	Hydrogen_Bond_Donor_Count	1
53346602	Mono_Isotopic_Weight	116.047344113
11539562	Structure_Complexity	722
47320	Undefined_Bond_Stereo_Count	0
19067979	Defined_Bond_Stereo_Count	0
137651	XLogP3-AA	2
57548589	Hydrogen_Bond_Acceptor_Count	0
115107	XLogP3	2
259381	Total_Formal_Charge	0
113606	Molecular_Weight	195.17
108059	XLogP3-AA	2.9
71584930	Defined_Bond_Stereo_Count	0
49993	Hydrogen_Bond_Donor_Count	0
8653	Exact_Mass	216.0341926
6324604	Mono_Isotopic_Weight	457.1880675
9865808	Defined_Bond_Stereo_Count	0
10928	Defined_Bond_Stereo_Count	0
10831	Tautomer_Count	4
13159	Molecular_Weight	98.19
6970	Isotope_Atom_Count	0
11773	Hydrogen_Bond_Acceptor_Count	0
10250607	Defined_Bond_Stereo_Count	0
3035235	Mono_Isotopic_Weight	341.18383758
135753908	Total_Formal_Charge	0
35676	Structure_Complexity	203
68094	Isotope_Atom_Count	0
99963	Hydrogen_Bond_Donor_Count	2
3437	Undefined_Atom_Stereo_Count	0
124946	Undefined_Atom_Stereo_Count	0
834519	Isotope_Atom_Count	0
135566371	TPSA	123
5368010	Undefined_Atom_Stereo_Count	1
16136	Undefined_Atom_Stereo_Count	0
37873	Non-hydrogen_Atom_Count	6
23352	Hydrogen_Bond_Acceptor_Count	1
207584	Hydrogen_Bond_Acceptor_Count	1
14181658	Mono_Isotopic_Weight	487.22782765
23545554	Defined_Atom_Stereo_Count	0
16666	Structure_Complexity	120
21490213	Undefined_Bond_Stereo_Count	0
134694678	Undefined_Bond_Stereo_Count	1
119086017	Total_Formal_Charge	0
6509979	Isotope_Atom_Count	0
129873282	Isotope_Atom_Count	0
87599626	Defined_Bond_Stereo_Count	0
60652	Exact_Mass	308.0828741
80971	Total_Formal_Charge	0
70684313	Mono_Isotopic_Weight	411.15560620
22353206	XLogP3-AA	0
471360	Hydrogen_Bond_Donor_Count	0
404566	Non-hydrogen_Atom_Count	23
13217907	Molecular_Weight	111.14
13685820	Total_Formal_Charge	0
22990584	XLogP3-AA	1.6
12420192	Mono_Isotopic_Weight	111.068413911
17963141	TPSA	87.3
10833	TPSA	83.6
8491	Mono_Isotopic_Weight	171.0087061
305560	TPSA	41.6
102692	Structure_Complexity	43.7
44338970	Hydrogen_Bond_Donor_Count	3
86305	Hydrogen_Bond_Donor_Count	0
136115428	Defined_Bond_Stereo_Count	0
527559	Isotope_Atom_Count	0
21941690	Non-hydrogen_Atom_Count	8
8961	Tautomer_Count	6
138	TPSA	63.3
164167667	Molecular_Weight	113.11
135456058	Undefined_Bond_Stereo_Count	0
54580051	Structure_Complexity	654
12184311	Isotope_Atom_Count	0
12213589	Defined_Atom_Stereo_Count	0
25200541	Hydrogen_Bond_Acceptor_Count	8
97656	Defined_Bond_Stereo_Count	0
54060	Hydrogen_Bond_Donor_Count	0
11979961	Undefined_Atom_Stereo_Count	0
76337	Tautomer_Count	1
29455	Hydrogen_Bond_Acceptor_Count	1
57144446	Total_Formal_Charge	0
140638754	Hydrogen_Bond_Acceptor_Count	1
2091	Total_Formal_Charge	0
963715	Hydrogen_Bond_Donor_Count	1
10428048	XLogP3-AA	5.5
83346	Defined_Bond_Stereo_Count	0
39526	Defined_Bond_Stereo_Count	0
72959169	Undefined_Atom_Stereo_Count	0
54677674	Isotope_Atom_Count	0
24884488	Undefined_Bond_Stereo_Count	0
9536	Non-hydrogen_Atom_Count	12
159603	Exact_Mass	314.17427596
244030	Structure_Complexity	159
22386	Mono_Isotopic_Weight	88.088815002
14869	XLogP3	3.9
87089	Exact_Mass	290.153146591
6427476	Undefined_Atom_Stereo_Count	2
99382	Undefined_Atom_Stereo_Count	0
129638348	Rotatable_Bond_Count	0
60594	Defined_Bond_Stereo_Count	0
16217359	Defined_Atom_Stereo_Count	0
31005	Defined_Bond_Stereo_Count	0
2728270	Hydrogen_Bond_Donor_Count	1
4542	Defined_Bond_Stereo_Count	0
113917	Non-hydrogen_Atom_Count	23
11263727	Isotope_Atom_Count	0
60199965	Rotatable_Bond_Count	6
19352565	Defined_Bond_Stereo_Count	0
4636	Structure_Complexity	345
51047	Hydrogen_Bond_Acceptor_Count	3
16073670	Defined_Bond_Stereo_Count	0
65105	XLogP3-AA	0.9
102601816	Defined_Bond_Stereo_Count	0
123316507	Molecular_Weight	1202.6
141167	Defined_Bond_Stereo_Count	0
3463	Defined_Bond_Stereo_Count	0
12376	Hydrogen_Bond_Acceptor_Count	4
214347	Structure_Complexity	452
7116	Tautomer_Count	1
12381421	Hydrogen_Bond_Donor_Count	0
44431182	TPSA	137
72149	Hydrogen_Bond_Acceptor_Count	5
129721137	Defined_Atom_Stereo_Count	6
4323	Rotatable_Bond_Count	10
75821	Covalent_Unit_Count	1
15995	Total_Formal_Charge	0
10887868	Hydrogen_Bond_Acceptor_Count	2
12711588	Mono_Isotopic_Weight	116.047344113
7931	Hydrogen_Bond_Acceptor_Count	0
88342387	Rotatable_Bond_Count	1
159661	Tautomer_Count	1
347590	Hydrogen_Bond_Donor_Count	1
121492004	Total_Formal_Charge	0
31425	Structure_Complexity	744
1616961	Non-hydrogen_Atom_Count	20
84715993	TPSA	49.8
9806063	Isotope_Atom_Count	0
54592009	TPSA	63.7
82325	Hydrogen_Bond_Acceptor_Count	8
142210	Rotatable_Bond_Count	0
129009859	TPSA	145
6868	Total_Formal_Charge	0
81766	Tautomer_Count	1
12787246	Isotope_Atom_Count	0
123133871	XLogP3	0.9
21899743	Total_Formal_Charge	0
84106846	XLogP3-AA	1.8
56609761	Defined_Atom_Stereo_Count	0
46919879	Defined_Bond_Stereo_Count	0
9238	Defined_Atom_Stereo_Count	0
3165	Structure_Complexity	364
146779553	Mono_Isotopic_Weight	108.093900383
3015	Molecular_Weight	374.9
78027	Undefined_Atom_Stereo_Count	0
53983207	Structure_Complexity	113
4952	Molecular_Weight	336.5
119259	Hydrogen_Bond_Acceptor_Count	5
57395178	Defined_Atom_Stereo_Count	0
969516	Defined_Atom_Stereo_Count	0
529399	Structure_Complexity	72.9
21841	TPSA	104
17963226	Mono_Isotopic_Weight	505.1802054
71382907	Hydrogen_Bond_Donor_Count	1
528630	Hydrogen_Bond_Donor_Count	1
11126224	Isotope_Atom_Count	0
168131	Exact_Mass	251.154823615
6369059	Total_Formal_Charge	1
67241466	Total_Formal_Charge	0
49652	Structure_Complexity	564
5808	Molecular_Weight	211.26
15271454	Exact_Mass	95.037113783
37968	Defined_Atom_Stereo_Count	2
728	Mono_Isotopic_Weight	251.883389
37036	Total_Formal_Charge	0
5479	Defined_Bond_Stereo_Count	0
7411	Covalent_Unit_Count	1
152807	Rotatable_Bond_Count	0
46854655	TPSA	46.5
11513	Defined_Bond_Stereo_Count	0
3513	Molecular_Weight	387.7
334657	Rotatable_Bond_Count	6
37239	Undefined_Bond_Stereo_Count	0
15951487	Non-hydrogen_Atom_Count	28
133134	Molecular_Weight	554.6
10848	Defined_Bond_Stereo_Count	0
14809959	Isotope_Atom_Count	0
12629	Molecular_Weight	416.5
9800972	Isotope_Atom_Count	0
3081364	Total_Formal_Charge	0
65411	XLogP3-AA	0.7
8125	Mono_Isotopic_Weight	112.125200510
11140632	Total_Formal_Charge	0
10485	Hydrogen_Bond_Donor_Count	0
123650722	Structure_Complexity	1220
53386711	Hydrogen_Bond_Donor_Count	2
91759532	Isotope_Atom_Count	0
129864959	Undefined_Atom_Stereo_Count	1
445936	Undefined_Bond_Stereo_Count	0
96354	Rotatable_Bond_Count	7
75310475	Rotatable_Bond_Count	10
11593706	Rotatable_Bond_Count	2
5663	Isotope_Atom_Count	0
77262	Defined_Bond_Stereo_Count	0
3796816	Total_Formal_Charge	0
20791685	Exact_Mass	111.079647300
11623676	Hydrogen_Bond_Acceptor_Count	2
547785	Rotatable_Bond_Count	3
7899	Undefined_Atom_Stereo_Count	0
168354	Covalent_Unit_Count	1
71624686	Mono_Isotopic_Weight	386.0968101
129744665	XLogP3-AA	0.1
16134490	Hydrogen_Bond_Acceptor_Count	16
5311051	Hydrogen_Bond_Acceptor_Count	5
941102	Mono_Isotopic_Weight	332.0927701
3086576	TPSA	64.6
5125	Exact_Mass	314.09616600
2576	Hydrogen_Bond_Acceptor_Count	4
18032	TPSA	74.9
235738	Hydrogen_Bond_Acceptor_Count	3
76048	Isotope_Atom_Count	0
20056440	Rotatable_Bond_Count	4
671761	Molecular_Weight	265.21
179338	Isotope_Atom_Count	0
6921	Hydrogen_Bond_Acceptor_Count	3
196987	Hydrogen_Bond_Acceptor_Count	2
71777654	Undefined_Bond_Stereo_Count	0
44339090	Hydrogen_Bond_Acceptor_Count	5
643785	Tautomer_Count	1
54345713	Rotatable_Bond_Count	2
763244	Total_Formal_Charge	0
674917	Defined_Bond_Stereo_Count	0
138148	Mono_Isotopic_Weight	100.088815002
53895	Defined_Atom_Stereo_Count	0
12326432	Structure_Complexity	91.7
112029	Hydrogen_Bond_Donor_Count	1
97341	TPSA	12.5
3002335	Molecular_Weight	511.6
54543950	Defined_Bond_Stereo_Count	0
65084	Structure_Complexity	380
120084	Structure_Complexity	30.7
12868288	Exact_Mass	114.104465066
66942740	Isotope_Atom_Count	0
21677759	XLogP3	0.8
71460947	Undefined_Atom_Stereo_Count	0
19347790	Molecular_Weight	116.08
84896	Undefined_Atom_Stereo_Count	0
11424151	Hydrogen_Bond_Acceptor_Count	2
2455	XLogP3-AA	3.8
60196404	Covalent_Unit_Count	2
6172	Structure_Complexity	489
53174	Isotope_Atom_Count	0
134688323	Total_Formal_Charge	0
12488	Isotope_Atom_Count	0
12302694	Isotope_Atom_Count	0
442530	Defined_Bond_Stereo_Count	0
23260879	Molecular_Weight	106.09
44560771	Molecular_Weight	362.4
11675	Rotatable_Bond_Count	1
70687305	Exact_Mass	402.29813906
23653	Rotatable_Bond_Count	11
124201874	Undefined_Atom_Stereo_Count	1
71459864	Covalent_Unit_Count	2
117915	Structure_Complexity	105
164668700	Covalent_Unit_Count	1
584	Defined_Atom_Stereo_Count	0
21584531	Non-hydrogen_Atom_Count	5
69188	Covalent_Unit_Count	1
78027	Defined_Atom_Stereo_Count	0
146159225	Isotope_Atom_Count	0
263	Defined_Bond_Stereo_Count	0
25222248	Exact_Mass	363.13292312
88473196	Non-hydrogen_Atom_Count	10
13627693	Structure_Complexity	78.6
5702293	Covalent_Unit_Count	2
66545742	Undefined_Atom_Stereo_Count	0
582898	Structure_Complexity	115
143780	Tautomer_Count	1
15628	Undefined_Bond_Stereo_Count	0
77808	Defined_Bond_Stereo_Count	0
164164517	Exact_Mass	99.068413911
85843728	TPSA	29.4
18206	TPSA	12.5
11325699	Exact_Mass	354.0328724
16051997	Defined_Bond_Stereo_Count	0
46936965	XLogP3-AA	0.6
19077486	Mono_Isotopic_Weight	444.1728319
10351178	Isotope_Atom_Count	0
20697439	Structure_Complexity	88.5
1981	Exact_Mass	415.0822650
221145	Exact_Mass	100.052429494
247470	Molecular_Weight	104.15
10417847	Defined_Atom_Stereo_Count	0
56842037	Total_Formal_Charge	0
517441	Total_Formal_Charge	0
138059742	Rotatable_Bond_Count	3
53652433	Mono_Isotopic_Weight	112.052429494
7646	Undefined_Bond_Stereo_Count	0
17354	Defined_Bond_Stereo_Count	0
97959	Molecular_Weight	128.21
135686255	Non-hydrogen_Atom_Count	17
10378	Undefined_Atom_Stereo_Count	0
11470068	Defined_Bond_Stereo_Count	0
6399650	TPSA	75.7
91315907	Structure_Complexity	82.2
819109	Undefined_Bond_Stereo_Count	0
135209752	Non-hydrogen_Atom_Count	8
155087254	Isotope_Atom_Count	0
44224066	Molecular_Weight	700.8
271488	Exact_Mass	360.339216023
149164080	Hydrogen_Bond_Acceptor_Count	1
9809002	Non-hydrogen_Atom_Count	44
21998472	Covalent_Unit_Count	1
643798	Covalent_Unit_Count	1
1752	Molecular_Weight	220.35
14454747	Isotope_Atom_Count	0
60238	XLogP3-AA	1.1
62656	Exact_Mass	125.90349
615549	Defined_Atom_Stereo_Count	0
60552	Undefined_Atom_Stereo_Count	1
13385	Undefined_Bond_Stereo_Count	0
115011064	Non-hydrogen_Atom_Count	8
57503849	Undefined_Bond_Stereo_Count	0
69272932	Rotatable_Bond_Count	8
441308	Isotope_Atom_Count	0
165154846	Mono_Isotopic_Weight	112.052429494
9961	XLogP3	0.9
72734319	Undefined_Atom_Stereo_Count	0
5324584	Isotope_Atom_Count	0
127736	Hydrogen_Bond_Acceptor_Count	6
18711468	Non-hydrogen_Atom_Count	7
9279	Defined_Atom_Stereo_Count	0
56991328	Defined_Atom_Stereo_Count	0
22141508	Rotatable_Bond_Count	2
134735	Undefined_Atom_Stereo_Count	0
74904	Defined_Bond_Stereo_Count	0
5281426	Hydrogen_Bond_Donor_Count	1
65115	Defined_Bond_Stereo_Count	0
157568	Hydrogen_Bond_Acceptor_Count	2
9797857	XLogP3-AA	2.6
283	Isotope_Atom_Count	0
7721	Undefined_Atom_Stereo_Count	0
11587584	Molecular_Weight	306.4
14536434	Defined_Bond_Stereo_Count	0
101316975	Structure_Complexity	1070
15482943	XLogP3-AA	1.1
139593369	Non-hydrogen_Atom_Count	50
11286230	Hydrogen_Bond_Donor_Count	12
687044	Defined_Atom_Stereo_Count	1
13969	Mono_Isotopic_Weight	324.16852187
68714	Isotope_Atom_Count	0
68203	Undefined_Atom_Stereo_Count	0
13593925	Covalent_Unit_Count	1
154522078	Total_Formal_Charge	0
704233	Total_Formal_Charge	0
6057875	Hydrogen_Bond_Acceptor_Count	14
160796	Undefined_Atom_Stereo_Count	1
91335727	XLogP3-AA	5.2
399594	Rotatable_Bond_Count	1
6922	Mono_Isotopic_Weight	161.04523368
3032	Covalent_Unit_Count	1
6436158	Structure_Complexity	1360
440122	TPSA	247
11261	Total_Formal_Charge	0
60919	Molecular_Weight	411.5
8980	Structure_Complexity	211
6950337	XLogP3	1.3
5284543	TPSA	41.9
71443	Molecular_Weight	408.09
18718394	Mono_Isotopic_Weight	88.016043985
15370743	Isotope_Atom_Count	0
20251205	Covalent_Unit_Count	1
1519	Structure_Complexity	853
447569	Defined_Atom_Stereo_Count	2
29675	Defined_Atom_Stereo_Count	0
160576	Isotope_Atom_Count	0
71234	Undefined_Bond_Stereo_Count	0
9090	Undefined_Atom_Stereo_Count	0
6751	XLogP3-AA	3.6
13574950	Defined_Atom_Stereo_Count	0
4494	Structure_Complexity	783
53316398	Hydrogen_Bond_Donor_Count	3
9906	Rotatable_Bond_Count	0
13452201	Non-hydrogen_Atom_Count	7
123543	Defined_Atom_Stereo_Count	0
9821174	Molecular_Weight	379.5
8739	Rotatable_Bond_Count	2
34755	Structure_Complexity	527
20055558	TPSA	153
77603	XLogP3-AA	0.5
6377	Hydrogen_Bond_Donor_Count	1
141627366	Defined_Atom_Stereo_Count	0
119584	Defined_Bond_Stereo_Count	0
36523	TPSA	475
57403176	Non-hydrogen_Atom_Count	28
93143	Defined_Bond_Stereo_Count	0
9903853	Total_Formal_Charge	0
4011971	Undefined_Bond_Stereo_Count	0
2419	TPSA	53.1
181976	Undefined_Atom_Stereo_Count	0
20055294	Covalent_Unit_Count	1
67247971	Isotope_Atom_Count	0
89936880	Exact_Mass	527.23263824
4736391	Hydrogen_Bond_Donor_Count	0
11251988	Isotope_Atom_Count	0
12608294	Undefined_Bond_Stereo_Count	0
6419719	Undefined_Atom_Stereo_Count	0
266742	Undefined_Bond_Stereo_Count	0
608	Exact_Mass	178.04773803
88525	Hydrogen_Bond_Donor_Count	0
44267026	Defined_Bond_Stereo_Count	0
60196338	Molecular_Weight	936.0
119098876	Exact_Mass	1120.19982200
2816568	Undefined_Bond_Stereo_Count	0
448965	TPSA	97.3
94398	Covalent_Unit_Count	1
65898	Tautomer_Count	10
17298	Molecular_Weight	219.28
156595875	Hydrogen_Bond_Acceptor_Count	18
5334356	Covalent_Unit_Count	1
24812721	Molecular_Weight	377.4
55300430	Covalent_Unit_Count	1
139181052	Total_Formal_Charge	0
3854666	Rotatable_Bond_Count	2
721137	Exact_Mass	292.0502366
6999	Total_Formal_Charge	0
1603	TPSA	279
74210	Undefined_Atom_Stereo_Count	0
5311333	Non-hydrogen_Atom_Count	79
54434340	Structure_Complexity	114
12333	Hydrogen_Bond_Donor_Count	0
8923919	Defined_Bond_Stereo_Count	0
137719	Rotatable_Bond_Count	2
10701	Tautomer_Count	1
14552327	TPSA	20.2
15789550	Structure_Complexity	68.5
17910644	Rotatable_Bond_Count	0
135441757	Hydrogen_Bond_Acceptor_Count	2
6539003	Structure_Complexity	453
11455317	TPSA	85.1
100930731	Non-hydrogen_Atom_Count	7
24561	Hydrogen_Bond_Donor_Count	0
25058200	Tautomer_Count	1
6578	Defined_Bond_Stereo_Count	0
15477807	Non-hydrogen_Atom_Count	23
146159812	XLogP3-AA	6
57403932	Total_Formal_Charge	0
9794056	Hydrogen_Bond_Donor_Count	5
62105	Tautomer_Count	1
44190553	Structure_Complexity	341
49863385	Non-hydrogen_Atom_Count	47
797998	Isotope_Atom_Count	0
1549002	Molecular_Weight	290.4
6810	Undefined_Atom_Stereo_Count	2
11589590	Undefined_Bond_Stereo_Count	0
5320128	Covalent_Unit_Count	1
184822	Tautomer_Count	2
21670825	Defined_Atom_Stereo_Count	5
167180	Undefined_Bond_Stereo_Count	0
160718893	Non-hydrogen_Atom_Count	8
264	Total_Formal_Charge	0
2763	Undefined_Bond_Stereo_Count	0
7124	Mono_Isotopic_Weight	173.047678466
11452022	Isotope_Atom_Count	0
89152969	Exact_Mass	114.104465066
20255128	Hydrogen_Bond_Acceptor_Count	1
89229710	Mono_Isotopic_Weight	113.058911855
61389	Structure_Complexity	971
62276	Exact_Mass	461.0489140
52947147	Structure_Complexity	549
44241743	Structure_Complexity	799
91168	TPSA	37.3
54582513	Total_Formal_Charge	0
6417	Defined_Bond_Stereo_Count	0
54758585	Hydrogen_Bond_Donor_Count	5
58599	Tautomer_Count	2
68566969	Hydrogen_Bond_Acceptor_Count	1
11291932	Defined_Atom_Stereo_Count	0
102399	Undefined_Bond_Stereo_Count	0
11455973	Hydrogen_Bond_Acceptor_Count	13
98070685	Tautomer_Count	1
439456	Total_Formal_Charge	0
719704	Molecular_Weight	192.21
10636633	Isotope_Atom_Count	0
45934626	Covalent_Unit_Count	1
70381	TPSA	29.1
292659	Defined_Bond_Stereo_Count	0
71308731	Hydrogen_Bond_Donor_Count	2
13574950	Structure_Complexity	74.1
119828	Undefined_Atom_Stereo_Count	0
413540	Hydrogen_Bond_Acceptor_Count	1
227456	Non-hydrogen_Atom_Count	42
36921	Rotatable_Bond_Count	5
82326	Molecular_Weight	151.68
11829386	Total_Formal_Charge	0
14197	Hydrogen_Bond_Donor_Count	1
147285	Hydrogen_Bond_Acceptor_Count	2
53304446	Undefined_Atom_Stereo_Count	0
87985965	Defined_Atom_Stereo_Count	0
11948	XLogP3	5.5
49865963	Defined_Atom_Stereo_Count	7
10470290	Hydrogen_Bond_Acceptor_Count	4
22833454	Molecular_Weight	199.38
2735071	Rotatable_Bond_Count	12
12711598	Hydrogen_Bond_Acceptor_Count	2
53387504	Isotope_Atom_Count	0
16437056	Undefined_Bond_Stereo_Count	0
10564696	Isotope_Atom_Count	0
29801	Covalent_Unit_Count	2
35136	Total_Formal_Charge	0
6429274	Undefined_Bond_Stereo_Count	0
418360	Structure_Complexity	325
21282995	XLogP3-AA	0.2
126569786	Hydrogen_Bond_Acceptor_Count	12
13267937	TPSA	96.2
28060	Rotatable_Bond_Count	8
7213679	Isotope_Atom_Count	0
123468130	Undefined_Bond_Stereo_Count	0
28810	Hydrogen_Bond_Donor_Count	1
96261	Hydrogen_Bond_Donor_Count	1
688217	Defined_Atom_Stereo_Count	1
66156	Tautomer_Count	1
91037	Total_Formal_Charge	0
5281064	TPSA	195
11108856	Covalent_Unit_Count	1
102318232	Undefined_Atom_Stereo_Count	0
9859094	Molecular_Weight	204.35
16767284	Undefined_Atom_Stereo_Count	0
15294	Undefined_Atom_Stereo_Count	0
11673085	Defined_Bond_Stereo_Count	0
44521024	Non-hydrogen_Atom_Count	34
2734217	Structure_Complexity	433
21619272	Defined_Atom_Stereo_Count	0
107735	Hydrogen_Bond_Acceptor_Count	3
44134533	Molecular_Weight	328.51
59421472	Undefined_Bond_Stereo_Count	0
39418872	Hydrogen_Bond_Donor_Count	2
134692587	Exact_Mass	861.50858530
21866502	Undefined_Bond_Stereo_Count	0
21390696	TPSA	49.8
56845432	Mono_Isotopic_Weight	182.07594159
73181638	Total_Formal_Charge	0
94617	Undefined_Bond_Stereo_Count	0
13757963	Covalent_Unit_Count	1
505	Isotope_Atom_Count	0
91558	Exact_Mass	360.1604557
80426	Defined_Bond_Stereo_Count	0
565082	Hydrogen_Bond_Acceptor_Count	3
12262	Defined_Bond_Stereo_Count	0
50901	Tautomer_Count	3
12452048	Total_Formal_Charge	0
53032	Defined_Atom_Stereo_Count	3
131003005	Isotope_Atom_Count	0
71453749	Total_Formal_Charge	0
102131130	Hydrogen_Bond_Donor_Count	1
123668737	Exact_Mass	114.042927438
96221	Defined_Bond_Stereo_Count	0
108147	Structure_Complexity	1450
441476	Covalent_Unit_Count	1
12248	Non-hydrogen_Atom_Count	6
13027232	Defined_Atom_Stereo_Count	0
2079	Non-hydrogen_Atom_Count	14
257630	XLogP3-AA	3.8
406167	TPSA	120
5384411	Total_Formal_Charge	0
558502	Hydrogen_Bond_Donor_Count	1
124316	Undefined_Atom_Stereo_Count	0
24950485	Hydrogen_Bond_Acceptor_Count	10
67454	TPSA	0
6867	Defined_Atom_Stereo_Count	0
54345713	Mono_Isotopic_Weight	100.052429494
7321	Undefined_Bond_Stereo_Count	0
5585	Hydrogen_Bond_Donor_Count	0
10297	Defined_Bond_Stereo_Count	0
12651819	Non-hydrogen_Atom_Count	7
15553	Exact_Mass	190.9540837
86583	TPSA	20.2
90485	Mono_Isotopic_Weight	206.094294304
53779803	Defined_Atom_Stereo_Count	0
6672	Isotope_Atom_Count	0
122824	Covalent_Unit_Count	2
76292	Non-hydrogen_Atom_Count	12
4011971	Defined_Atom_Stereo_Count	0
9885355	Hydrogen_Bond_Donor_Count	2
90628	Covalent_Unit_Count	1
21067	Isotope_Atom_Count	0
984396	Defined_Bond_Stereo_Count	0
1970	Mono_Isotopic_Weight	399.16550218
142123799	TPSA	32.3
9734	Structure_Complexity	108
71312086	Total_Formal_Charge	0
30781	Undefined_Atom_Stereo_Count	1
62870	Molecular_Weight	384.5
11513721	Undefined_Bond_Stereo_Count	0
17019	Hydrogen_Bond_Acceptor_Count	0
101587427	Defined_Atom_Stereo_Count	0
167266	Hydrogen_Bond_Donor_Count	2
4712721	Hydrogen_Bond_Acceptor_Count	3
7571	Isotope_Atom_Count	0
5488036	Hydrogen_Bond_Acceptor_Count	11
10923804	Molecular_Weight	275.37
222516	Hydrogen_Bond_Donor_Count	2
3073763	Molecular_Weight	208.69
31863	Hydrogen_Bond_Acceptor_Count	25
23355	XLogP3	0
16028	Defined_Atom_Stereo_Count	0
129720364	Molecular_Weight	283.33
10130337	Defined_Atom_Stereo_Count	1
46936900	Defined_Atom_Stereo_Count	3
643209	Isotope_Atom_Count	0
71737800	Defined_Bond_Stereo_Count	0
14714356	Undefined_Bond_Stereo_Count	0
41574	TPSA	69.6
663939	Covalent_Unit_Count	1
5778	Total_Formal_Charge	0
15376592	Undefined_Bond_Stereo_Count	0
63096	Undefined_Atom_Stereo_Count	0
231880	Total_Formal_Charge	0
59693921	Mono_Isotopic_Weight	111.043261792
8497	Hydrogen_Bond_Donor_Count	1
2145	XLogP3	1.2
121596244	Defined_Atom_Stereo_Count	6
154266294	Rotatable_Bond_Count	1
6683	Rotatable_Bond_Count	0
59035	Undefined_Atom_Stereo_Count	0
156232886	Covalent_Unit_Count	1
543885	Isotope_Atom_Count	0
11051610	XLogP3-AA	0.2
26738	Tautomer_Count	409
131747	Isotope_Atom_Count	0
471360	Non-hydrogen_Atom_Count	13
5368076	Tautomer_Count	1
139074319	Mono_Isotopic_Weight	455.19317399
99049	Total_Formal_Charge	0
53441735	TPSA	38.1
16211941	Non-hydrogen_Atom_Count	12
73917	Undefined_Bond_Stereo_Count	0
1016	Defined_Bond_Stereo_Count	0
3068840	Molecular_Weight	387.9
89708952	Rotatable_Bond_Count	0
74233	TPSA	20.2
67128140	Non-hydrogen_Atom_Count	8
21041051	Non-hydrogen_Atom_Count	7
11908488	Defined_Bond_Stereo_Count	0
60182	Undefined_Atom_Stereo_Count	1
57403867	Undefined_Bond_Stereo_Count	0
5200289	TPSA	54.7
3032732	Rotatable_Bond_Count	9
156186164	Non-hydrogen_Atom_Count	8
3976	Hydrogen_Bond_Acceptor_Count	4
667639	Defined_Bond_Stereo_Count	1
92246	Undefined_Atom_Stereo_Count	0
7768	Isotope_Atom_Count	0
123304022	Total_Formal_Charge	0
44395035	XLogP3-AA	4.9
11675994	Exact_Mass	413.19485467
19734140	Defined_Atom_Stereo_Count	0
176907	Isotope_Atom_Count	0
10909485	Non-hydrogen_Atom_Count	6
447256	Hydrogen_Bond_Donor_Count	1
102428	Molecular_Weight	327.8
5922	Structure_Complexity	108
19001504	Hydrogen_Bond_Acceptor_Count	3
17753867	Mono_Isotopic_Weight	289.98038
99922	Rotatable_Bond_Count	3
58638	Undefined_Bond_Stereo_Count	0
14789	Structure_Complexity	27.9
87110828	Isotope_Atom_Count	0
83644	XLogP3-AA	3.3
580	Rotatable_Bond_Count	7
91172822	Undefined_Bond_Stereo_Count	2
21720414	Undefined_Bond_Stereo_Count	0
5284515	Non-hydrogen_Atom_Count	29
92722	Molecular_Weight	508.6
49866023	TPSA	41.6
47608	Exact_Mass	269.12766012
535	Covalent_Unit_Count	1
4436967	Molecular_Weight	390.32
12102501	Undefined_Atom_Stereo_Count	0
11969781	Molecular_Weight	643.6
12040509	Mono_Isotopic_Weight	503.13471767
8419	Undefined_Atom_Stereo_Count	0
68258	Undefined_Bond_Stereo_Count	0
24900813	XLogP3-AA	3
67472	Defined_Atom_Stereo_Count	0
53319933	Exact_Mass	242.05138412
5311264	Hydrogen_Bond_Donor_Count	1
23103	Undefined_Bond_Stereo_Count	0
61791	Mono_Isotopic_Weight	492.25252628
12255652	Hydrogen_Bond_Donor_Count	2
71963842	Rotatable_Bond_Count	15
148123	Defined_Bond_Stereo_Count	0
122612	Tautomer_Count	1
11094575	Non-hydrogen_Atom_Count	8
69007	Mono_Isotopic_Weight	304.11581759
135594055	Molecular_Weight	341.8
12284	Defined_Atom_Stereo_Count	0
54947	Hydrogen_Bond_Donor_Count	2
131731052	Defined_Atom_Stereo_Count	0
101630689	Defined_Atom_Stereo_Count	13
164914198	Undefined_Bond_Stereo_Count	0
45006125	Total_Formal_Charge	0
519963	Undefined_Bond_Stereo_Count	0
123751374	XLogP3-AA	7.5
24214097	Undefined_Atom_Stereo_Count	0
9959	Total_Formal_Charge	0
16732313	Rotatable_Bond_Count	2
15657508	Undefined_Bond_Stereo_Count	0
14146878	Rotatable_Bond_Count	0
13200	TPSA	20.2
53315818	Hydrogen_Bond_Donor_Count	2
10316	Undefined_Atom_Stereo_Count	0
6604909	Defined_Atom_Stereo_Count	1
6413	Hydrogen_Bond_Donor_Count	0
443101	Tautomer_Count	208
11587639	Molecular_Weight	310.4
118459248	Mono_Isotopic_Weight	342.11621151
7959	Defined_Atom_Stereo_Count	0
426409	Hydrogen_Bond_Donor_Count	3
40463608	Rotatable_Bond_Count	0
2794575	Isotope_Atom_Count	0
754	Undefined_Atom_Stereo_Count	1
3073200	Defined_Atom_Stereo_Count	0
54608115	Mono_Isotopic_Weight	2163.9515005
40701	Hydrogen_Bond_Donor_Count	0
13180180	Undefined_Atom_Stereo_Count	0
5281605	Hydrogen_Bond_Donor_Count	3
76900	Total_Formal_Charge	0
68266	Exact_Mass	146.073164938
45266540	Defined_Atom_Stereo_Count	5
14415253	Undefined_Bond_Stereo_Count	0
5311068	Mono_Isotopic_Weight	200.131348519
123135747	Defined_Atom_Stereo_Count	2
52942704	Rotatable_Bond_Count	5
83322	Molecular_Weight	392.2
6917719	Isotope_Atom_Count	0
243415	Molecular_Weight	115.17
18736304	Defined_Atom_Stereo_Count	0
12927947	Undefined_Bond_Stereo_Count	0
54160801	Molecular_Weight	98.10
104930	Hydrogen_Bond_Donor_Count	0
9740	Defined_Bond_Stereo_Count	0
121493082	Isotope_Atom_Count	0
52949394	Undefined_Bond_Stereo_Count	0
2846928	Exact_Mass	386.22966
5255	Defined_Bond_Stereo_Count	0
71713951	Covalent_Unit_Count	1
4631	Covalent_Unit_Count	1
705645	Total_Formal_Charge	0
10742787	Hydrogen_Bond_Donor_Count	4
5314058	Hydrogen_Bond_Donor_Count	0
153386860	Non-hydrogen_Atom_Count	8
3093785	Structure_Complexity	217
6777	Non-hydrogen_Atom_Count	24
15348	Defined_Bond_Stereo_Count	0
9854489	Undefined_Bond_Stereo_Count	0
40029	XLogP3-AA	3.8
16329	Exact_Mass	231.98876
5284419	Exact_Mass	624.20542044
155613706	Isotope_Atom_Count	0
155977656	TPSA	229
60052896	Undefined_Atom_Stereo_Count	2
58996537	Hydrogen_Bond_Donor_Count	1
572717	Hydrogen_Bond_Acceptor_Count	0
193965	Non-hydrogen_Atom_Count	9
52165	Undefined_Bond_Stereo_Count	0
108059	Hydrogen_Bond_Acceptor_Count	4
62817	Structure_Complexity	152
15133384	Non-hydrogen_Atom_Count	31
162883453	Rotatable_Bond_Count	6
54309225	Non-hydrogen_Atom_Count	7
59189978	TPSA	12.5
22646212	Undefined_Bond_Stereo_Count	0
161929	Hydrogen_Bond_Acceptor_Count	1
55917	Undefined_Atom_Stereo_Count	0
70150	Molecular_Weight	178.27
713378	Non-hydrogen_Atom_Count	18
1097	Covalent_Unit_Count	1
448972	Undefined_Atom_Stereo_Count	0
141130780	Structure_Complexity	74.5
101544	Undefined_Atom_Stereo_Count	0
67246787	Exact_Mass	410.0833482
11814656	TPSA	223
54071	Rotatable_Bond_Count	5
138924	Non-hydrogen_Atom_Count	7
24946980	Molecular_Weight	419.6
51030529	Defined_Bond_Stereo_Count	0
12866541	Hydrogen_Bond_Donor_Count	0
91867648	Exact_Mass	13.005739
667	Rotatable_Bond_Count	20
2733928	Exact_Mass	239.0924357
222073	TPSA	26.3
51030053	Undefined_Bond_Stereo_Count	0
12613538	Mono_Isotopic_Weight	177.090211983
31209	Rotatable_Bond_Count	6
422780	Hydrogen_Bond_Donor_Count	2
2724103	Isotope_Atom_Count	0
5282315	Exact_Mass	821.49254132
64218	Isotope_Atom_Count	0
91538	Defined_Atom_Stereo_Count	0
86076207	Rotatable_Bond_Count	3
5320191	Covalent_Unit_Count	1
2422	Molecular_Weight	340.4
735319	Undefined_Bond_Stereo_Count	0
640	Non-hydrogen_Atom_Count	16
10599	Structure_Complexity	364
48000	Rotatable_Bond_Count	16
130124330	Exact_Mass	113.047678466
679	Structure_Complexity	29
66255	Tautomer_Count	8
80009	Defined_Atom_Stereo_Count	0
5223	Undefined_Bond_Stereo_Count	4
97994	XLogP3-AA	2.9
5504	Exact_Mass	160.100048391
131634907	Non-hydrogen_Atom_Count	131
3014827	Structure_Complexity	2.8
82170	Molecular_Weight	182.17
57392493	Exact_Mass	457.25294081
2378	Hydrogen_Bond_Donor_Count	0
14592	Isotope_Atom_Count	0
24414	Molecular_Weight	233.39
7019	Non-hydrogen_Atom_Count	15
68030	Hydrogen_Bond_Donor_Count	0
596091	Mono_Isotopic_Weight	220.146329876
122738	Structure_Complexity	925
51025660	Defined_Bond_Stereo_Count	0
9989023	Defined_Atom_Stereo_Count	6
88983603	Exact_Mass	100.088815002
11544170	XLogP3-AA	4.1
11815712	Mono_Isotopic_Weight	1225.94005901
23555879	Exact_Mass	99.068413911
76981	Undefined_Bond_Stereo_Count	0
57363	Non-hydrogen_Atom_Count	27
6837	Covalent_Unit_Count	1
452498	Exact_Mass	282.09641956
21579161	Isotope_Atom_Count	0
57827330	Rotatable_Bond_Count	4
39042	Molecular_Weight	361.8
6875	Non-hydrogen_Atom_Count	18
555192	Rotatable_Bond_Count	2
62092	Hydrogen_Bond_Donor_Count	0
6398764	Covalent_Unit_Count	2
3752	Mono_Isotopic_Weight	255.0078506
1095	Mono_Isotopic_Weight	254.01915430
12209	Undefined_Atom_Stereo_Count	1
25244520	Non-hydrogen_Atom_Count	10
56840904	Covalent_Unit_Count	3
5274271	Isotope_Atom_Count	0
62441	Hydrogen_Bond_Donor_Count	4
225564	TPSA	20.2
13972130	Undefined_Bond_Stereo_Count	0
83938	Total_Formal_Charge	0
446069	Structure_Complexity	417
16741878	Exact_Mass	603.32839138
123884	Undefined_Atom_Stereo_Count	0
30177	Total_Formal_Charge	0
143291	Hydrogen_Bond_Donor_Count	2
63991	Isotope_Atom_Count	0
69333790	Mono_Isotopic_Weight	113.058911855
8508	Hydrogen_Bond_Acceptor_Count	7
53881088	Mono_Isotopic_Weight	111.032028402
803776	Rotatable_Bond_Count	4
691409	Molecular_Weight	319.34
15026073	TPSA	30.8
94228	Tautomer_Count	1
57372628	Total_Formal_Charge	0
4146595	Structure_Complexity	169
62016	Total_Formal_Charge	0
15732693	Defined_Atom_Stereo_Count	0
13521	Rotatable_Bond_Count	9
579675	Tautomer_Count	10
529031	Covalent_Unit_Count	1
13058242	Structure_Complexity	144
5370611	Tautomer_Count	3
96583	Tautomer_Count	3
44183569	Undefined_Atom_Stereo_Count	0
5890	TPSA	415
42754	Molecular_Weight	254.12
156432753	Non-hydrogen_Atom_Count	8
15457	Rotatable_Bond_Count	4
156614059	Hydrogen_Bond_Acceptor_Count	5
182422	Molecular_Weight	230.3
13671	TPSA	78.5
12002	Mono_Isotopic_Weight	311.77849
20735704	Isotope_Atom_Count	0
67950444	Defined_Atom_Stereo_Count	2
518713	Undefined_Bond_Stereo_Count	0
51358375	Isotope_Atom_Count	0
145721938	Mono_Isotopic_Weight	589.14023
32940	Mono_Isotopic_Weight	287.0825398
978766	Rotatable_Bond_Count	5
443980	Rotatable_Bond_Count	5
16129809	TPSA	478
71346	Isotope_Atom_Count	0
107656	Exact_Mass	592.3059301
390	Tautomer_Count	3
135214	Covalent_Unit_Count	1
23675349	Covalent_Unit_Count	2
9421	Total_Formal_Charge	0
3507056	Hydrogen_Bond_Donor_Count	0
9546757	Defined_Atom_Stereo_Count	1
6693	Isotope_Atom_Count	0
4306515	XLogP3-AA	5.1
197942	Defined_Bond_Stereo_Count	0
3017320	XLogP3-AA	2.2
87491756	Non-hydrogen_Atom_Count	8
20587905	TPSA	23.8
23270355	Covalent_Unit_Count	1
13652	Undefined_Atom_Stereo_Count	0
446	XLogP3-AA	2.2
144915389	Covalent_Unit_Count	1
10384141	Non-hydrogen_Atom_Count	27
54114222	Undefined_Atom_Stereo_Count	1
6723	Rotatable_Bond_Count	2
749823	Defined_Bond_Stereo_Count	0
77323	Defined_Atom_Stereo_Count	0
5384411	Isotope_Atom_Count	0
177323	Rotatable_Bond_Count	6
57286	Structure_Complexity	305
22641151	Covalent_Unit_Count	1
49866023	Undefined_Atom_Stereo_Count	0
133662562	Non-hydrogen_Atom_Count	12
44338970	Defined_Bond_Stereo_Count	0
54111851	Defined_Atom_Stereo_Count	0
24453	Covalent_Unit_Count	1
11957756	Undefined_Bond_Stereo_Count	0
9693	Hydrogen_Bond_Acceptor_Count	3
23279312	Undefined_Bond_Stereo_Count	0
5463081	Covalent_Unit_Count	1
5364901	Defined_Bond_Stereo_Count	0
13138	Total_Formal_Charge	0
628370	Defined_Atom_Stereo_Count	0
140554	Covalent_Unit_Count	1
19095	Molecular_Weight	494.5
4683	Defined_Atom_Stereo_Count	0
24883429	Isotope_Atom_Count	0
201990	Undefined_Bond_Stereo_Count	0
67488	Defined_Bond_Stereo_Count	0
53424628	Hydrogen_Bond_Donor_Count	1
12777	TPSA	26.3
3106	Undefined_Bond_Stereo_Count	0
6140	Defined_Atom_Stereo_Count	1
1123	Undefined_Atom_Stereo_Count	0
36906	XLogP3	1
138199	Structure_Complexity	67.9
97171	Undefined_Bond_Stereo_Count	0
80252	Tautomer_Count	1
670580	Molecular_Weight	320.3
10921634	XLogP3	4.6
107720	TPSA	107
98495	Non-hydrogen_Atom_Count	11
2734243	Molecular_Weight	340.29
71248	Structure_Complexity	471
9894291	Structure_Complexity	459
71196	Defined_Bond_Stereo_Count	0
284240	Hydrogen_Bond_Donor_Count	2
57394197	Exact_Mass	494.21403277
565635	Rotatable_Bond_Count	4
14833	Molecular_Weight	159.69
13518101	Hydrogen_Bond_Acceptor_Count	6
5280581	Defined_Atom_Stereo_Count	0
62512	TPSA	40.5
9573395	Total_Formal_Charge	0
53486170	Covalent_Unit_Count	2
142403683	Defined_Atom_Stereo_Count	0
20691	Exact_Mass	284.282763776
12596780	TPSA	17.1
51030053	Defined_Atom_Stereo_Count	0
12599129	Undefined_Atom_Stereo_Count	0
63134	XLogP3	2.4
181138	Mono_Isotopic_Weight	186.115698455
71256	Hydrogen_Bond_Acceptor_Count	14
17473	Covalent_Unit_Count	1
5282474	Total_Formal_Charge	0
68321900	Covalent_Unit_Count	1
54708299	Covalent_Unit_Count	1
417452	Covalent_Unit_Count	1
55289472	Undefined_Atom_Stereo_Count	0
59791	Total_Formal_Charge	0
17806	Defined_Bond_Stereo_Count	0
9910975	Isotope_Atom_Count	0
123468130	Defined_Atom_Stereo_Count	0
9811837	Hydrogen_Bond_Acceptor_Count	11
16131097	Total_Formal_Charge	0
93189	Undefined_Atom_Stereo_Count	0
3078952	Defined_Atom_Stereo_Count	0
62859	Covalent_Unit_Count	3
17956339	Defined_Atom_Stereo_Count	0
65717	Tautomer_Count	1
25208	Undefined_Atom_Stereo_Count	2
2778339	Hydrogen_Bond_Donor_Count	0
610978	Exact_Mass	209.95411
9878679	Exact_Mass	275.07284784
50914184	Defined_Atom_Stereo_Count	0
71245	Undefined_Atom_Stereo_Count	0
11681588	Undefined_Atom_Stereo_Count	0
210332	Mono_Isotopic_Weight	393.22770851
13428	Molecular_Weight	260.9
285657	Defined_Bond_Stereo_Count	0
13046622	Rotatable_Bond_Count	2
51038316	Defined_Bond_Stereo_Count	1
91895876	Undefined_Bond_Stereo_Count	0
118975693	Hydrogen_Bond_Acceptor_Count	2
12456	Covalent_Unit_Count	2
14689526	Structure_Complexity	130
71449750	Mono_Isotopic_Weight	467.21686904
16051038	Non-hydrogen_Atom_Count	26
24705	TPSA	18.5
163735019	Isotope_Atom_Count	0
72999858	Non-hydrogen_Atom_Count	33
20387208	Hydrogen_Bond_Acceptor_Count	1
5284597	Defined_Atom_Stereo_Count	6
31779	Covalent_Unit_Count	1
135484646	Hydrogen_Bond_Acceptor_Count	2
77332	Mono_Isotopic_Weight	114.104465066
17995822	Isotope_Atom_Count	0
658645	Defined_Bond_Stereo_Count	0
21946307	Defined_Bond_Stereo_Count	0
681701	Undefined_Bond_Stereo_Count	1
68940	Structure_Complexity	685
5895404	Tautomer_Count	52
118388035	Hydrogen_Bond_Donor_Count	2
52421	Rotatable_Bond_Count	9
3379942	Molecular_Weight	510.5
101365706	Covalent_Unit_Count	1
24086	Hydrogen_Bond_Acceptor_Count	5
558	Undefined_Bond_Stereo_Count	0
87386545	Covalent_Unit_Count	1
673473	Isotope_Atom_Count	0
162883448	Covalent_Unit_Count	1
21328181	Hydrogen_Bond_Donor_Count	2
5863	Defined_Atom_Stereo_Count	7
16211195	Defined_Atom_Stereo_Count	4
71300693	Tautomer_Count	54
1123	Defined_Atom_Stereo_Count	0
12296	Molecular_Weight	102.17
56120	Defined_Atom_Stereo_Count	0
18714263	Undefined_Bond_Stereo_Count	0
664338	XLogP3-AA	4.8
41967	Tautomer_Count	1
62616	Undefined_Atom_Stereo_Count	0
8923	Non-hydrogen_Atom_Count	14
26314	Mono_Isotopic_Weight	900.21723713
197856	Hydrogen_Bond_Acceptor_Count	6
20543	Exact_Mass	456.045747
550642	Hydrogen_Bond_Acceptor_Count	1
85307823	Mono_Isotopic_Weight	115.063328530
8532	Rotatable_Bond_Count	0
626366	Defined_Atom_Stereo_Count	0
44134949	Undefined_Bond_Stereo_Count	0
5478936	Total_Formal_Charge	0
9811611	XLogP3-AA	3.7
21150622	Defined_Atom_Stereo_Count	0
8305	Hydrogen_Bond_Donor_Count	0
62449	Defined_Bond_Stereo_Count	0
6230	TPSA	37.3
1289	Total_Formal_Charge	0
129662960	XLogP3-AA	5.3
136838	Structure_Complexity	86.6
20197984	Mono_Isotopic_Weight	100.052429494
45086609	TPSA	73.1
443130	Structure_Complexity	328
24807310	TPSA	73.8
46936772	Total_Formal_Charge	0
101613952	Isotope_Atom_Count	0
688378	XLogP3-AA	0.3
14552708	Undefined_Atom_Stereo_Count	1
99987	Undefined_Atom_Stereo_Count	1
112553	Mono_Isotopic_Weight	168.115029749
3033871	Undefined_Bond_Stereo_Count	0
117763868	Mono_Isotopic_Weight	419.34787550
22243070	Total_Formal_Charge	0
60824	XLogP3-AA	2.2
5829	Isotope_Atom_Count	0
70510	Tautomer_Count	7
20393	Defined_Atom_Stereo_Count	0
3085401	Molecular_Weight	246.34
8282	Exact_Mass	119.094628657
54382	Isotope_Atom_Count	0
71225	Defined_Atom_Stereo_Count	0
24848330	Total_Formal_Charge	1
55300496	Covalent_Unit_Count	1
71392	Undefined_Bond_Stereo_Count	0
21275073	Mono_Isotopic_Weight	80.026214747
11029761	Rotatable_Bond_Count	1
139637653	TPSA	40.5
171970	Hydrogen_Bond_Donor_Count	1
450268	Non-hydrogen_Atom_Count	14
68973	Exact_Mass	48.012887157
45120354	Tautomer_Count	1
6432095	Total_Formal_Charge	0
44430313	Total_Formal_Charge	0
54328926	Total_Formal_Charge	0
5201	Defined_Atom_Stereo_Count	0
43312181	Hydrogen_Bond_Donor_Count	1
78771	Total_Formal_Charge	0
61508	Undefined_Atom_Stereo_Count	0
16039021	Defined_Bond_Stereo_Count	0
139600236	TPSA	49.7
30844	XLogP3-AA	3.1
23925	Undefined_Bond_Stereo_Count	0
24582	Undefined_Bond_Stereo_Count	0
6950273	Rotatable_Bond_Count	2
226274	TPSA	43.1
5370481	TPSA	74.6
691409	Exact_Mass	319.06267708
14020437	Structure_Complexity	80.2
124159802	Covalent_Unit_Count	1
12040	XLogP3-AA	2.2
52912189	Structure_Complexity	665
17820197	Hydrogen_Bond_Donor_Count	0
606817	Defined_Bond_Stereo_Count	0
206	Mono_Isotopic_Weight	180.06338810
199480	Rotatable_Bond_Count	8
3294	Molecular_Weight	241.24
70837	Hydrogen_Bond_Acceptor_Count	4
87870846	Defined_Bond_Stereo_Count	0
141053308	Mono_Isotopic_Weight	100.052429494
443111	Exact_Mass	525.24750046
43678	Undefined_Bond_Stereo_Count	1
10796703	Isotope_Atom_Count	0
14911944	TPSA	29.5
5329102	Hydrogen_Bond_Donor_Count	3
518966	Mono_Isotopic_Weight	80.062600255
21702	TPSA	25.3
94910	Exact_Mass	226.0760574
588	Defined_Bond_Stereo_Count	0
12059	XLogP3	2.7
59888749	Undefined_Bond_Stereo_Count	0
25171662	Isotope_Atom_Count	0
19043237	Exact_Mass	104.094963011
1379	Total_Formal_Charge	0
12618861	XLogP3-AA	0.3
22965786	Mono_Isotopic_Weight	98.073164938
101894327	Exact_Mass	324.17254462
136219151	Hydrogen_Bond_Acceptor_Count	3
23663409	Structure_Complexity	372
312915	Defined_Atom_Stereo_Count	0
135449328	Exact_Mass	446.12600561
23663400	Undefined_Bond_Stereo_Count	0
24721009	Tautomer_Count	1
21800	Tautomer_Count	6
6437357	Tautomer_Count	6
10240789	Covalent_Unit_Count	1
54580795	Defined_Atom_Stereo_Count	0
81093	Undefined_Bond_Stereo_Count	0
79450	Mono_Isotopic_Weight	136.063662883
72679314	Molecular_Weight	378.5
61868	XLogP3-AA	0.6
120095	Hydrogen_Bond_Acceptor_Count	1
17358	Non-hydrogen_Atom_Count	7
9860946	Hydrogen_Bond_Donor_Count	1
67313	Defined_Atom_Stereo_Count	0
256019	Hydrogen_Bond_Acceptor_Count	4
11542782	Isotope_Atom_Count	0
11589590	XLogP3-AA	5.9
74361	Total_Formal_Charge	0
8006	Hydrogen_Bond_Acceptor_Count	0
71584053	Structure_Complexity	576
58516110	Covalent_Unit_Count	1
105426931	Rotatable_Bond_Count	0
564751	Mono_Isotopic_Weight	231.162314293
18484	Mono_Isotopic_Weight	290.17944152
43515	Non-hydrogen_Atom_Count	24
22038	Defined_Atom_Stereo_Count	0
127030167	Hydrogen_Bond_Donor_Count	6
163781	Tautomer_Count	1000
6227	Total_Formal_Charge	0
10291132	Hydrogen_Bond_Acceptor_Count	11
12705044	Exact_Mass	104.062600255
702015	Undefined_Bond_Stereo_Count	0
58270057	Undefined_Bond_Stereo_Count	0
160932	Undefined_Atom_Stereo_Count	0
54136224	Molecular_Weight	108.10
132327702	Undefined_Atom_Stereo_Count	1
418296	Exact_Mass	831.112418
57400316	TPSA	129
72200930	TPSA	83.8
67174361	Covalent_Unit_Count	2
66214	Tautomer_Count	1
8259	Structure_Complexity	38.5
140793266	Undefined_Atom_Stereo_Count	0
10478	Isotope_Atom_Count	0
21355780	Covalent_Unit_Count	1
85838693	Undefined_Bond_Stereo_Count	0
32040	Exact_Mass	157.110278721
37968	Tautomer_Count	2
8878	Undefined_Bond_Stereo_Count	0
32326	Undefined_Bond_Stereo_Count	0
71449585	Defined_Bond_Stereo_Count	0
3073	Total_Formal_Charge	0
3146673	Exact_Mass	249.126597491
23657865	Hydrogen_Bond_Donor_Count	3
521226	TPSA	0
91945062	Covalent_Unit_Count	1
521131	Mono_Isotopic_Weight	78.02810645
166534	Hydrogen_Bond_Acceptor_Count	6
12443	Molecular_Weight	463.70
6432434	Defined_Bond_Stereo_Count	1
65111	Covalent_Unit_Count	1
14508	Covalent_Unit_Count	1
6015	Non-hydrogen_Atom_Count	27
91145327	Hydrogen_Bond_Donor_Count	0
11163584	Undefined_Atom_Stereo_Count	1
87079617	Rotatable_Bond_Count	3
135444779	Molecular_Weight	441.4
12901	Hydrogen_Bond_Acceptor_Count	6
854749	Exact_Mass	248.094963011
54177139	Undefined_Bond_Stereo_Count	0
68466	Undefined_Atom_Stereo_Count	0
8271	Covalent_Unit_Count	1
53316388	Undefined_Atom_Stereo_Count	0
701617	Mono_Isotopic_Weight	290.11542367
75464	Undefined_Bond_Stereo_Count	0
67443	Defined_Atom_Stereo_Count	0
146571	TPSA	111
53673	Exact_Mass	194.01499861
38040	Hydrogen_Bond_Acceptor_Count	0
98003	Hydrogen_Bond_Acceptor_Count	2
96458	Mono_Isotopic_Weight	358.0985242
36312	TPSA	20.2
4630	XLogP3-AA	0.4
10197646	Covalent_Unit_Count	1
26041	Exact_Mass	315.931862
84815	Rotatable_Bond_Count	4
119	Isotope_Atom_Count	0
5282425	Rotatable_Bond_Count	3
13908	Defined_Bond_Stereo_Count	0
141545	Isotope_Atom_Count	0
86147436	TPSA	29.1
5320621	Isotope_Atom_Count	0
1886	Exact_Mass	438.20423867
117072551	Covalent_Unit_Count	1
21679645	Defined_Bond_Stereo_Count	0
90877284	XLogP3-AA	2.8
1548900	Covalent_Unit_Count	1
121290477	Undefined_Atom_Stereo_Count	9
5111791	Mono_Isotopic_Weight	153.053826475
96090	Mono_Isotopic_Weight	111.048427358
91884755	Rotatable_Bond_Count	6
135431272	Hydrogen_Bond_Donor_Count	2
138404353	Structure_Complexity	1700
21131860	Defined_Bond_Stereo_Count	0
12450	Covalent_Unit_Count	1
70034662	Structure_Complexity	74
15661697	TPSA	76.1
123404946	Mono_Isotopic_Weight	107.073499291
17100	Rotatable_Bond_Count	1
146157761	Defined_Atom_Stereo_Count	3
8854	Undefined_Atom_Stereo_Count	0
19089767	Mono_Isotopic_Weight	101.047678466
185698	Hydrogen_Bond_Donor_Count	5
86501	Non-hydrogen_Atom_Count	8
53403600	Undefined_Atom_Stereo_Count	0
124744578	Molecular_Weight	843.1
6418	Rotatable_Bond_Count	1
2285	Isotope_Atom_Count	0
13925600	Hydrogen_Bond_Donor_Count	1
151177	Exact_Mass	404.25627424
4797	Undefined_Bond_Stereo_Count	0
20097886	Hydrogen_Bond_Donor_Count	0
154824089	Molecular_Weight	397.5
9814448	Tautomer_Count	2
89149682	Molecular_Weight	101.15
12524	Hydrogen_Bond_Acceptor_Count	2
11560414	Hydrogen_Bond_Acceptor_Count	9
7947	TPSA	0
11815296	Isotope_Atom_Count	0
1718	XLogP3-AA	1
68510675	Hydrogen_Bond_Donor_Count	2
6432512	Hydrogen_Bond_Acceptor_Count	5
28615	Structure_Complexity	292
155907178	Covalent_Unit_Count	3
10127622	TPSA	88.4
13222108	Hydrogen_Bond_Acceptor_Count	2
424893	Exact_Mass	625.24334160
136504	Molecular_Weight	97.09
57483528	Undefined_Atom_Stereo_Count	3
15678	Isotope_Atom_Count	0
15398666	Total_Formal_Charge	0
443157	Tautomer_Count	2
27428	Non-hydrogen_Atom_Count	14
16376	Hydrogen_Bond_Donor_Count	1
80695	Non-hydrogen_Atom_Count	31
25137911	Hydrogen_Bond_Donor_Count	0
174	Hydrogen_Bond_Donor_Count	2
124707323	Hydrogen_Bond_Donor_Count	0
39223	Exact_Mass	313.0416773
9931	Hydrogen_Bond_Donor_Count	0
16217112	TPSA	110
18467	Rotatable_Bond_Count	1
7582	Hydrogen_Bond_Donor_Count	1
16822	XLogP3	0.8
22033763	Defined_Atom_Stereo_Count	0
6249	Rotatable_Bond_Count	4
95361	Isotope_Atom_Count	0
66599	Hydrogen_Bond_Donor_Count	3
19077501	Non-hydrogen_Atom_Count	27
10862733	Hydrogen_Bond_Acceptor_Count	0
78704	Covalent_Unit_Count	2
10395173	Undefined_Atom_Stereo_Count	0
66970	Covalent_Unit_Count	1
12310714	Hydrogen_Bond_Donor_Count	3
3014106	Exact_Mass	112.052429494
499953	Structure_Complexity	857
61634	Undefined_Bond_Stereo_Count	0
9909677	Undefined_Bond_Stereo_Count	0
5355858	TPSA	26.3
931	Defined_Bond_Stereo_Count	0
3081362	Undefined_Atom_Stereo_Count	0
443404	Rotatable_Bond_Count	0
56661920	Undefined_Atom_Stereo_Count	0
9926639	Mono_Isotopic_Weight	308.1291556
87428	TPSA	27.7
15535343	Undefined_Atom_Stereo_Count	1
6347538	Rotatable_Bond_Count	8
127030167	Structure_Complexity	1980
3034814	Hydrogen_Bond_Donor_Count	1
59883	Hydrogen_Bond_Donor_Count	1
4495	TPSA	110
2322334	XLogP3-AA	4
10026	XLogP3-AA	1.8
135950975	Isotope_Atom_Count	0
21519580	XLogP3-AA	0.2
97783	XLogP3-AA	4.2
12586	Hydrogen_Bond_Donor_Count	0
23649245	Tautomer_Count	5
13362585	Covalent_Unit_Count	1
7695	Total_Formal_Charge	0
80455	Covalent_Unit_Count	1
637568	Rotatable_Bond_Count	4
5599	Undefined_Atom_Stereo_Count	0
17856473	Structure_Complexity	126
2987927	Non-hydrogen_Atom_Count	20
27383	Undefined_Bond_Stereo_Count	0
53466	TPSA	57
11386	Covalent_Unit_Count	1
25793	Covalent_Unit_Count	1
17162	Hydrogen_Bond_Acceptor_Count	2
44475990	Mono_Isotopic_Weight	522.20626205
25110841	Rotatable_Bond_Count	9
5521	Exact_Mass	161.06056562
19962876	Undefined_Atom_Stereo_Count	0
657073	Undefined_Atom_Stereo_Count	0
13652343	Defined_Bond_Stereo_Count	0
142123799	Covalent_Unit_Count	1
71541177	Structure_Complexity	522
14644797	Defined_Bond_Stereo_Count	0
51	Rotatable_Bond_Count	4
21453	Total_Formal_Charge	0
6598	Undefined_Atom_Stereo_Count	0
68675439	Undefined_Bond_Stereo_Count	0
4368	XLogP3-AA	2.2
91589206	Molecular_Weight	106.16
123678537	XLogP3-AA	1.1
9952773	Mono_Isotopic_Weight	399.14053348
81803874	Defined_Atom_Stereo_Count	0
4680	Structure_Complexity	407
10687	Defined_Atom_Stereo_Count	0
86761	Defined_Bond_Stereo_Count	0
103446246	Rotatable_Bond_Count	1
60155	Rotatable_Bond_Count	4
133169	Structure_Complexity	155
14319	XLogP3	1.9
5402	Isotope_Atom_Count	0
12509715	Hydrogen_Bond_Acceptor_Count	1
22053930	Hydrogen_Bond_Acceptor_Count	2
76398	Covalent_Unit_Count	1
24759	TPSA	400
21051392	Hydrogen_Bond_Acceptor_Count	1
163091	Undefined_Bond_Stereo_Count	0
53757199	Defined_Atom_Stereo_Count	0
22762494	Structure_Complexity	40.8
272282	Defined_Bond_Stereo_Count	0
11551	Defined_Atom_Stereo_Count	0
131845588	Rotatable_Bond_Count	0
19738571	Total_Formal_Charge	0
3083714	Rotatable_Bond_Count	23
734215	Mono_Isotopic_Weight	321.0323340
1291	Undefined_Atom_Stereo_Count	1
75564	TPSA	43.1
25563891	Covalent_Unit_Count	1
17946	Non-hydrogen_Atom_Count	11
25271860	Defined_Atom_Stereo_Count	1
93513	Undefined_Bond_Stereo_Count	0
193168	Covalent_Unit_Count	1
20129993	Rotatable_Bond_Count	3
122662800	Molecular_Weight	114.15
95069	Non-hydrogen_Atom_Count	17
591200	Total_Formal_Charge	0
24397	Undefined_Bond_Stereo_Count	0
9578243	Mono_Isotopic_Weight	292.14230712
6934	TPSA	88.8
69332494	Isotope_Atom_Count	0
53317813	Hydrogen_Bond_Acceptor_Count	7
54700	Rotatable_Bond_Count	9
127757	Total_Formal_Charge	0
10141	XLogP3-AA	1.8
67174361	Structure_Complexity	108
17208	Covalent_Unit_Count	1
67178850	Non-hydrogen_Atom_Count	7
53914733	Covalent_Unit_Count	1
12809444	Mono_Isotopic_Weight	179.058243149
57131110	Hydrogen_Bond_Acceptor_Count	1
22015260	Defined_Atom_Stereo_Count	0
122415	Covalent_Unit_Count	1
11032	Undefined_Atom_Stereo_Count	0
139079484	Mono_Isotopic_Weight	617.991897
9989023	Isotope_Atom_Count	0
13107533	Exact_Mass	102.068079557
10498206	Covalent_Unit_Count	1
3045375	Structure_Complexity	816
224244	Rotatable_Bond_Count	0
71452602	Isotope_Atom_Count	0
80045	XLogP3	1.9
3804841	Isotope_Atom_Count	0
45120389	Structure_Complexity	113
64488	Undefined_Bond_Stereo_Count	0
10350317	Mono_Isotopic_Weight	785.59345564
77997	Exact_Mass	391.20082506
193965	Tautomer_Count	2
11921	Defined_Atom_Stereo_Count	0
57564	Total_Formal_Charge	0
558502	Non-hydrogen_Atom_Count	8
22174896	Rotatable_Bond_Count	0
9434	Hydrogen_Bond_Acceptor_Count	2
49865963	Defined_Bond_Stereo_Count	0
10465	Exact_Mass	270.255880323
20607	Mono_Isotopic_Weight	183.162314293
15748	Undefined_Atom_Stereo_Count	1
22326	XLogP3-AA	1.5
91664	Structure_Complexity	260
62904	Hydrogen_Bond_Donor_Count	0
167	Undefined_Bond_Stereo_Count	0
9568628	Undefined_Atom_Stereo_Count	0
72670730	Structure_Complexity	822
129010290	Total_Formal_Charge	0
130122663	Mono_Isotopic_Weight	109.052763847
226764	Defined_Bond_Stereo_Count	0
21075	Covalent_Unit_Count	1
3041256	Defined_Atom_Stereo_Count	2
13050832	Undefined_Bond_Stereo_Count	0
65217	Non-hydrogen_Atom_Count	27
69663	Non-hydrogen_Atom_Count	6
912	Non-hydrogen_Atom_Count	9
6497	Molecular_Weight	126.13
9470	TPSA	45.2
44755146	Molecular_Weight	326.17
6858	Hydrogen_Bond_Donor_Count	0
317505	Molecular_Weight	310.4
1361	Total_Formal_Charge	0
9081	Undefined_Atom_Stereo_Count	2
131770024	TPSA	57.2
66615627	Hydrogen_Bond_Acceptor_Count	6
71583159	Molecular_Weight	466.6
121271792	Molecular_Weight	386.4
1549107	Isotope_Atom_Count	0
71986	TPSA	77.3
136809	Defined_Bond_Stereo_Count	0
34148	Undefined_Bond_Stereo_Count	0
9548590	Defined_Atom_Stereo_Count	10
7873	Rotatable_Bond_Count	10
137231010	Rotatable_Bond_Count	5
25102936	Exact_Mass	426.13865659
69333672	Mono_Isotopic_Weight	108.032362755
11169170	TPSA	162
1282	Rotatable_Bond_Count	3
53698003	Rotatable_Bond_Count	0
3002120	Mono_Isotopic_Weight	702.29817356
88598	Isotope_Atom_Count	0
19657	Exact_Mass	216.00100232
9352	Undefined_Bond_Stereo_Count	0
6314185	Rotatable_Bond_Count	7
60198	XLogP3-AA	3.1
17305	Hydrogen_Bond_Donor_Count	0
11987858	Rotatable_Bond_Count	0
24855	Covalent_Unit_Count	1
91017818	Undefined_Bond_Stereo_Count	0
2058	Non-hydrogen_Atom_Count	24
80009	TPSA	21.9
21753162	Structure_Complexity	74.1
132274085	Exact_Mass	834.54530517
5289535	Defined_Bond_Stereo_Count	0
12734569	Non-hydrogen_Atom_Count	8
118994155	Defined_Bond_Stereo_Count	0
118897473	TPSA	51.8
17040	Covalent_Unit_Count	1
12351158	Exact_Mass	97.016378338
21706433	Molecular_Weight	99.13
55900	Defined_Bond_Stereo_Count	0
11625425	Isotope_Atom_Count	0
61749380	Mono_Isotopic_Weight	112.088815002
281995	Hydrogen_Bond_Donor_Count	0
11159486	Hydrogen_Bond_Acceptor_Count	3
433956	Hydrogen_Bond_Acceptor_Count	2
31420	Undefined_Bond_Stereo_Count	0
34192	Defined_Atom_Stereo_Count	0
85645107	Total_Formal_Charge	0
6437392	Defined_Bond_Stereo_Count	2
833466	TPSA	83
13804280	Defined_Bond_Stereo_Count	0
564847	Undefined_Atom_Stereo_Count	0
51029964	Defined_Atom_Stereo_Count	1
4059	Covalent_Unit_Count	1
44359653	Hydrogen_Bond_Acceptor_Count	18
6432095	Hydrogen_Bond_Donor_Count	0
11412	Exact_Mass	114.140850574
13033202	Mono_Isotopic_Weight	98.048012819
6962	Non-hydrogen_Atom_Count	16
73111	Rotatable_Bond_Count	9
59050128	Isotope_Atom_Count	0
61634	Defined_Atom_Stereo_Count	0
277953	TPSA	38.3
20739	Non-hydrogen_Atom_Count	10
281995	Defined_Bond_Stereo_Count	0
9860946	Mono_Isotopic_Weight	295.157228913
37461	Undefined_Atom_Stereo_Count	0
13170	Structure_Complexity	254
24568	Hydrogen_Bond_Acceptor_Count	20
69453791	Defined_Bond_Stereo_Count	0
139799	Defined_Atom_Stereo_Count	0
94294	Hydrogen_Bond_Donor_Count	1
11597	Undefined_Atom_Stereo_Count	0
3000226	Isotope_Atom_Count	0
7015	Non-hydrogen_Atom_Count	13
135438601	Tautomer_Count	9
855556	Exact_Mass	293.08341252
17683	Isotope_Atom_Count	0
115817	Undefined_Bond_Stereo_Count	0
89187987	Defined_Atom_Stereo_Count	0
158524	Exact_Mass	280.240230259
16211333	TPSA	38
11494412	Undefined_Atom_Stereo_Count	0
1565	Defined_Bond_Stereo_Count	0
20333380	Hydrogen_Bond_Acceptor_Count	4
79724	Hydrogen_Bond_Acceptor_Count	8
76140	Hydrogen_Bond_Donor_Count	0
24203	Undefined_Bond_Stereo_Count	0
668081	TPSA	61.8
76218	Isotope_Atom_Count	0
905	Covalent_Unit_Count	1
11675994	Covalent_Unit_Count	1
138231	Total_Formal_Charge	0
5289143	Defined_Bond_Stereo_Count	0
23707296	Hydrogen_Bond_Donor_Count	1
5360237	Hydrogen_Bond_Acceptor_Count	19
135611162	Isotope_Atom_Count	0
14923	Total_Formal_Charge	0
90613	Mono_Isotopic_Weight	247.12398469
67978393	Molecular_Weight	96.13
59910362	Defined_Atom_Stereo_Count	0
141761	Rotatable_Bond_Count	0
44392176	Rotatable_Bond_Count	10
34481	XLogP3-AA	4.1
66261	Total_Formal_Charge	0
4752	Rotatable_Bond_Count	4
96393	TPSA	38
11815322	Defined_Bond_Stereo_Count	0
688993	XLogP3	5.3
14677	Structure_Complexity	339
180559	Exact_Mass	266.16304257
118086727	Total_Formal_Charge	0
53346492	Undefined_Atom_Stereo_Count	0
57756	Isotope_Atom_Count	0
33137	Isotope_Atom_Count	0
6372	XLogP3-AA	1.8
81093	Undefined_Atom_Stereo_Count	0
18170	TPSA	49.1
65664	Covalent_Unit_Count	1
5316860	Molecular_Weight	372.4
76469	Isotope_Atom_Count	0
86278362	Undefined_Atom_Stereo_Count	0
79809	Defined_Atom_Stereo_Count	0
6604796	Hydrogen_Bond_Acceptor_Count	4
1030	Defined_Atom_Stereo_Count	0
10115	Undefined_Bond_Stereo_Count	0
314184	Covalent_Unit_Count	1
70484261	Undefined_Bond_Stereo_Count	0
32681	XLogP3-AA	4.5
80472	Undefined_Atom_Stereo_Count	0
3200	Structure_Complexity	239
54697325	XLogP3-AA	3
13512560	Isotope_Atom_Count	0
9797798	TPSA	101
81466	Structure_Complexity	129
18730041	Structure_Complexity	58.4
163050681	Undefined_Atom_Stereo_Count	1
11241881	Undefined_Bond_Stereo_Count	0
67630	XLogP3-AA	0.8
1098	Mono_Isotopic_Weight	864.30653146
3197630	Structure_Complexity	635
446308	XLogP3-AA	4.9
3151	Mono_Isotopic_Weight	425.1618527
48207	Total_Formal_Charge	0
18952320	Structure_Complexity	74.1
46841499	Undefined_Bond_Stereo_Count	0
45480632	Undefined_Atom_Stereo_Count	0
57438703	Hydrogen_Bond_Acceptor_Count	6
90429111	Exact_Mass	115.026943022
62551	Defined_Bond_Stereo_Count	0
139906417	Structure_Complexity	65.1
12310749	Defined_Atom_Stereo_Count	7
89125265	Structure_Complexity	153
157706	Covalent_Unit_Count	1
6724	Isotope_Atom_Count	0
13081	Molecular_Weight	342.9
9826528	Undefined_Bond_Stereo_Count	0
21563	Molecular_Weight	245.32
123942782	Hydrogen_Bond_Acceptor_Count	2
534114	Molecular_Weight	98.10
131801164	Defined_Atom_Stereo_Count	1
26009888	Covalent_Unit_Count	1
68260	Exact_Mass	210.140850574
258618	Rotatable_Bond_Count	0
426409	Defined_Bond_Stereo_Count	0
61208	XLogP3-AA	1
52508	Undefined_Atom_Stereo_Count	1
642325	XLogP3-AA	1.4
115817	Molecular_Weight	413.3
9883029	Defined_Bond_Stereo_Count	0
29051	Exact_Mass	1084.47265329
23056	Mono_Isotopic_Weight	337.16779360
82261	Non-hydrogen_Atom_Count	12
84762050	TPSA	46.3
13132266	Undefined_Bond_Stereo_Count	0
71107	Defined_Bond_Stereo_Count	0
6506	Hydrogen_Bond_Donor_Count	1
6937	Undefined_Bond_Stereo_Count	0
2201	Rotatable_Bond_Count	1
19078026	Exact_Mass	99.068413911
48409	Hydrogen_Bond_Donor_Count	1
4250936	Hydrogen_Bond_Acceptor_Count	1
418296	Defined_Atom_Stereo_Count	0
54177139	Undefined_Atom_Stereo_Count	0
9997	Structure_Complexity	67.1
143051390	Rotatable_Bond_Count	2
70273609	TPSA	0
44412343	Hydrogen_Bond_Donor_Count	2
22168583	Defined_Bond_Stereo_Count	0
6337	TPSA	0
70949	TPSA	57.5
44423248	Undefined_Bond_Stereo_Count	0
20814133	Exact_Mass	85.03884512
60196312	Non-hydrogen_Atom_Count	42
9895	Rotatable_Bond_Count	1
19385647	Total_Formal_Charge	0
2342	Molecular_Weight	404.5
3816071	Defined_Bond_Stereo_Count	0
44483332	Molecular_Weight	688.8
135413538	Molecular_Weight	614.4
18626412	Molecular_Weight	102.13
52918379	Structure_Complexity	617
84591	XLogP3-AA	0
93680	Mono_Isotopic_Weight	430.37705808
47750	Rotatable_Bond_Count	3
859174	Total_Formal_Charge	0
79510	Undefined_Bond_Stereo_Count	0
96004	Undefined_Atom_Stereo_Count	0
1149	Defined_Atom_Stereo_Count	0
38316	Molecular_Weight	191.23
25780	TPSA	39.7
33498	TPSA	109
12389634	Defined_Atom_Stereo_Count	0
85673900	TPSA	38
60195811	Structure_Complexity	449
8906	Non-hydrogen_Atom_Count	18
7851	Total_Formal_Charge	0
12852568	Rotatable_Bond_Count	0
32439	Defined_Atom_Stereo_Count	0
6918078	Hydrogen_Bond_Donor_Count	4
6918178	Hydrogen_Bond_Acceptor_Count	7
137474475	Covalent_Unit_Count	1
5248607	Non-hydrogen_Atom_Count	7
3038498	Mono_Isotopic_Weight	288.11266076
23674496	TPSA	105
25199798	Exact_Mass	263.034456
2734040	Mono_Isotopic_Weight	373.895139
124701961	Hydrogen_Bond_Acceptor_Count	1
9915	Isotope_Atom_Count	0
43234	Hydrogen_Bond_Donor_Count	0
18200	Tautomer_Count	1
24561	Structure_Complexity	2
14079	Mono_Isotopic_Weight	109.052763847
122361528	Hydrogen_Bond_Acceptor_Count	17
4953	Isotope_Atom_Count	0
117859259	Covalent_Unit_Count	1
136502787	Structure_Complexity	107
408964	Defined_Bond_Stereo_Count	0
117045595	TPSA	29.1
19032309	Hydrogen_Bond_Donor_Count	2
159982	Defined_Bond_Stereo_Count	0
40933	Non-hydrogen_Atom_Count	27
74601	Structure_Complexity	135
2354	TPSA	137
70589	Total_Formal_Charge	0
34875	Total_Formal_Charge	0
5284595	Exact_Mass	311.15214353
3158	Rotatable_Bond_Count	3
60196306	Exact_Mass	670.39282728
3763	XLogP3	2.1
4656	Non-hydrogen_Atom_Count	15
88063521	TPSA	20.2
70480	Rotatable_Bond_Count	0
702015	Defined_Atom_Stereo_Count	0
56463	Total_Formal_Charge	0
11676981	Total_Formal_Charge	0
131954444	Defined_Bond_Stereo_Count	1
18374068	Defined_Bond_Stereo_Count	0
70755	Undefined_Atom_Stereo_Count	0
7042	Rotatable_Bond_Count	0
176870	Covalent_Unit_Count	1
94715	Molecular_Weight	194.14
18669444	Covalent_Unit_Count	1
56679001	Isotope_Atom_Count	0
11660192	Tautomer_Count	8
10444413	Covalent_Unit_Count	1
12275548	Undefined_Atom_Stereo_Count	0
11861720	Defined_Atom_Stereo_Count	4
12167	Hydrogen_Bond_Donor_Count	0
44310513	Exact_Mass	391.19296297
7091	Structure_Complexity	140
90397060	Defined_Bond_Stereo_Count	1
86435	Undefined_Bond_Stereo_Count	0
17820196	Hydrogen_Bond_Donor_Count	0
20054849	Defined_Bond_Stereo_Count	2
12358742	Undefined_Atom_Stereo_Count	1
22507733	TPSA	21.3
44119603	Hydrogen_Bond_Acceptor_Count	3
558363	Structure_Complexity	50.1
2155128	Non-hydrogen_Atom_Count	31
3382	Isotope_Atom_Count	0
118892880	Undefined_Atom_Stereo_Count	0
70695705	Covalent_Unit_Count	1
221523	Undefined_Atom_Stereo_Count	0
54545615	Undefined_Atom_Stereo_Count	1
10973	Undefined_Bond_Stereo_Count	0
751826	Covalent_Unit_Count	1
73001175	Total_Formal_Charge	0
23675746	Molecular_Weight	352.4
54582823	Undefined_Bond_Stereo_Count	0
9614919	Rotatable_Bond_Count	3
5257909	Defined_Bond_Stereo_Count	0
25654	Molecular_Weight	389.4
135398560	Defined_Bond_Stereo_Count	0
3033943	Undefined_Bond_Stereo_Count	0
4168142	Non-hydrogen_Atom_Count	54
878	Molecular_Weight	48.11
64560	Molecular_Weight	290.5
29831	Total_Formal_Charge	0
3494	Defined_Atom_Stereo_Count	0
36559	Mono_Isotopic_Weight	236.156500638
14798	Undefined_Bond_Stereo_Count	0
10470544	Total_Formal_Charge	0
75357	Rotatable_Bond_Count	0
35331	Rotatable_Bond_Count	0
20333380	Rotatable_Bond_Count	0
19878	Rotatable_Bond_Count	1
868031	Defined_Atom_Stereo_Count	0
25056	Hydrogen_Bond_Donor_Count	0
7365	Covalent_Unit_Count	1
246219	Defined_Bond_Stereo_Count	0
4205685	Total_Formal_Charge	0
71128	Exact_Mass	325.204179104
643606	Undefined_Atom_Stereo_Count	0
25123	Exact_Mass	162.115698455
32940	XLogP3-AA	1.3
65815658	Total_Formal_Charge	0
110968	Non-hydrogen_Atom_Count	9
139307343	Undefined_Bond_Stereo_Count	0
49865971	Defined_Bond_Stereo_Count	0
7761	Isotope_Atom_Count	0
2156	Hydrogen_Bond_Donor_Count	1
70685	Covalent_Unit_Count	1
5707	Defined_Bond_Stereo_Count	0
520383	Mono_Isotopic_Weight	204.187800766
3011155	Undefined_Bond_Stereo_Count	0
4340561	Isotope_Atom_Count	0
16212481	Exact_Mass	422.07686844
141583717	Molecular_Weight	587.9
10011870	Total_Formal_Charge	0
265776	Molecular_Weight	109.13
24840945	Non-hydrogen_Atom_Count	9
7393	Structure_Complexity	115
88142236	Covalent_Unit_Count	1
3795601	Isotope_Atom_Count	0
8005	Non-hydrogen_Atom_Count	5
15402	Defined_Bond_Stereo_Count	0
5158	Exact_Mass	1288.65643130
13653621	TPSA	81
13616	Undefined_Bond_Stereo_Count	0
115011049	Undefined_Bond_Stereo_Count	0
5458769	XLogP3-AA	4
69332506	Rotatable_Bond_Count	0
70693142	Molecular_Weight	292.33
155290	TPSA	12.5
21702782	Hydrogen_Bond_Donor_Count	0
30914	Exact_Mass	122.048012819
12536731	TPSA	9.2
74325379	Covalent_Unit_Count	1
70697365	Undefined_Atom_Stereo_Count	0
439616	Structure_Complexity	138
102090452	TPSA	320
87505	Defined_Atom_Stereo_Count	1
7098617	Mono_Isotopic_Weight	342.11621151
25202592	Exact_Mass	129.078978594
126083	Hydrogen_Bond_Acceptor_Count	5
6516	Mono_Isotopic_Weight	190.10252097
76963786	Molecular_Weight	297.39
54315893	Non-hydrogen_Atom_Count	8
5352135	Covalent_Unit_Count	1
93521	Undefined_Atom_Stereo_Count	0
18002315	Structure_Complexity	113
54479104	Exact_Mass	101.084063974
6918188	Rotatable_Bond_Count	9
21943994	Molecular_Weight	690.8
68667	Defined_Bond_Stereo_Count	0
90019869	Rotatable_Bond_Count	0
4017	Mono_Isotopic_Weight	1406.93370526
27642	Covalent_Unit_Count	1
441328	Defined_Atom_Stereo_Count	2
85255	Molecular_Weight	252.33
147707445	Structure_Complexity	382
102678	Non-hydrogen_Atom_Count	38
3064224	Undefined_Bond_Stereo_Count	0
14379827	Hydrogen_Bond_Donor_Count	1
410467	TPSA	32.3
20003	Undefined_Bond_Stereo_Count	0
23892	Molecular_Weight	360.1
124956	TPSA	59.1
164825	Defined_Bond_Stereo_Count	0
11954292	Mono_Isotopic_Weight	856.46898685
55473	Non-hydrogen_Atom_Count	26
134129846	Undefined_Bond_Stereo_Count	0
29837	Hydrogen_Bond_Acceptor_Count	2
14388559	Rotatable_Bond_Count	1
6005	Defined_Bond_Stereo_Count	0
23662369	Rotatable_Bond_Count	5
5068681	Hydrogen_Bond_Donor_Count	3
5451	TPSA	327
9863043	Undefined_Bond_Stereo_Count	0
9908268	Undefined_Bond_Stereo_Count	0
19860177	Rotatable_Bond_Count	3
60663	Defined_Atom_Stereo_Count	2
6918025	Mono_Isotopic_Weight	1190.50414357
140291701	Covalent_Unit_Count	1
9322	Defined_Bond_Stereo_Count	0
25204	Defined_Atom_Stereo_Count	0
13707491	Total_Formal_Charge	0
25069561	Molecular_Weight	443.4
10142377	Structure_Complexity	878
44462985	Hydrogen_Bond_Acceptor_Count	0
14502976	Undefined_Bond_Stereo_Count	0
22097456	Covalent_Unit_Count	1
447407	Non-hydrogen_Atom_Count	16
5380976	Undefined_Bond_Stereo_Count	0
408793	Defined_Bond_Stereo_Count	0
66666	Exact_Mass	130.078250319
205324	Mono_Isotopic_Weight	110.048012819
6533	Defined_Atom_Stereo_Count	0
13166771	TPSA	9.2
10176113	Exact_Mass	110.084398327
21884954	Isotope_Atom_Count	0
140519105	Mono_Isotopic_Weight	97.063997236
3087722	Undefined_Atom_Stereo_Count	0
8569	XLogP3	3.3
33733	Covalent_Unit_Count	1
54840	Structure_Complexity	237
40839	Covalent_Unit_Count	1
9887304	Structure_Complexity	682
520478	Isotope_Atom_Count	0
10201696	Mono_Isotopic_Weight	411.26342531
91156	Exact_Mass	328.240230259
10478142	Non-hydrogen_Atom_Count	28
77801	Mono_Isotopic_Weight	150.115698455
44123754	Exact_Mass	468.11987140
16725726	Exact_Mass	425.21753775
84693	Defined_Atom_Stereo_Count	0
9913968	Hydrogen_Bond_Acceptor_Count	12
9593	Undefined_Bond_Stereo_Count	0
20913	Isotope_Atom_Count	0
300385	XLogP3-AA	3.2
6427097	Total_Formal_Charge	0
4633677	Non-hydrogen_Atom_Count	17
3483736	TPSA	27.6
260708	Rotatable_Bond_Count	1
69341007	Hydrogen_Bond_Acceptor_Count	2
29179	Defined_Atom_Stereo_Count	0
126961192	Undefined_Atom_Stereo_Count	0
85653	Hydrogen_Bond_Donor_Count	0
68652936	Isotope_Atom_Count	0
34148	XLogP3-AA	6.1
15311935	Covalent_Unit_Count	1
71024610	Exact_Mass	342.11621151
77038	Rotatable_Bond_Count	4
24875236	Exact_Mass	363.14839556
68316842	Covalent_Unit_Count	1
384	Total_Formal_Charge	0
54385745	Undefined_Atom_Stereo_Count	0
33478	Mono_Isotopic_Weight	463.17770683
365673	Mono_Isotopic_Weight	438.2186393
5311176	Total_Formal_Charge	0
137547	Mono_Isotopic_Weight	84.021129366
14184222	Covalent_Unit_Count	1
1966	Defined_Bond_Stereo_Count	0
6688	Covalent_Unit_Count	1
21484	Isotope_Atom_Count	0
135492	Covalent_Unit_Count	1
31411	Rotatable_Bond_Count	4
3665684	Hydrogen_Bond_Donor_Count	0
1224	Hydrogen_Bond_Acceptor_Count	2
2077	Structure_Complexity	591
57392165	Defined_Atom_Stereo_Count	0
182339	Hydrogen_Bond_Donor_Count	1
24838350	Molecular_Weight	1058.1
136364887	Isotope_Atom_Count	0
137349957	Molecular_Weight	885.4
141772581	Defined_Atom_Stereo_Count	0
7813	Mono_Isotopic_Weight	107.073499291
3661	Undefined_Bond_Stereo_Count	0
65513	TPSA	210
24768019	Non-hydrogen_Atom_Count	34
90475888	Exact_Mass	470.99330419
439280	Rotatable_Bond_Count	3
83803459	Hydrogen_Bond_Donor_Count	1
13140195	Defined_Atom_Stereo_Count	0
6100711	Covalent_Unit_Count	2
44392088	TPSA	69.3
288862	Hydrogen_Bond_Acceptor_Count	0
586156	Covalent_Unit_Count	1
114946	Total_Formal_Charge	0
44246724	Rotatable_Bond_Count	4
5246202	Molecular_Weight	290.23
37144	TPSA	17.1
5893	Isotope_Atom_Count	0
90127741	Defined_Atom_Stereo_Count	0
67462786	Undefined_Atom_Stereo_Count	0
54265485	Structure_Complexity	86.5
2752445	Undefined_Atom_Stereo_Count	0
76241	Total_Formal_Charge	0
406793	Hydrogen_Bond_Donor_Count	1
3699841	Rotatable_Bond_Count	2
42802	Defined_Atom_Stereo_Count	0
8567	Structure_Complexity	134
17989307	Exact_Mass	98.073164938
9890377	Covalent_Unit_Count	1
131270	Hydrogen_Bond_Donor_Count	0
10459820	Molecular_Weight	536.5
5378	Defined_Atom_Stereo_Count	0
6713428	Defined_Bond_Stereo_Count	0
13371699	Non-hydrogen_Atom_Count	35
7854	Isotope_Atom_Count	0
92389	Exact_Mass	264.0301698
15830	Hydrogen_Bond_Acceptor_Count	2
11073377	Undefined_Bond_Stereo_Count	0
9832383	XLogP3-AA	4.7
71433133	Defined_Bond_Stereo_Count	0
21701560	Structure_Complexity	390
105427064	Molecular_Weight	116.11
165880629	TPSA	41.2
5311360	XLogP3	5.9
42540	TPSA	18.5
114359	Hydrogen_Bond_Donor_Count	3
240373	Rotatable_Bond_Count	4
12695899	Rotatable_Bond_Count	0
11241881	Undefined_Atom_Stereo_Count	0
1783	Undefined_Atom_Stereo_Count	0
5289104	Covalent_Unit_Count	1
137347968	Undefined_Bond_Stereo_Count	0
25051993	Rotatable_Bond_Count	6
102362828	Total_Formal_Charge	0
12393928	Hydrogen_Bond_Acceptor_Count	3
129670580	XLogP3-AA	3.2
9826528	Undefined_Atom_Stereo_Count	0
23079599	Total_Formal_Charge	0
91435	Rotatable_Bond_Count	0
18198	Hydrogen_Bond_Acceptor_Count	2
57397288	Exact_Mass	526.27440453
16217852	Exact_Mass	125.047678466
315341	Total_Formal_Charge	0
27182	Mono_Isotopic_Weight	269.177964357
8142	Mono_Isotopic_Weight	148.1018782
154108049	Defined_Atom_Stereo_Count	0
8540	Structure_Complexity	345
456390	Exact_Mass	413.01418
68674	Hydrogen_Bond_Acceptor_Count	4
5991	Structure_Complexity	505
65974	Defined_Bond_Stereo_Count	0
119097350	Mono_Isotopic_Weight	96.057514874
585785	Defined_Atom_Stereo_Count	0
5287991	Rotatable_Bond_Count	9
11287722	XLogP3-AA	2.7
6719	Undefined_Atom_Stereo_Count	0
42608178	Defined_Atom_Stereo_Count	1
53232451	Non-hydrogen_Atom_Count	26
13437377	Hydrogen_Bond_Donor_Count	1
13619723	TPSA	12
81255	Defined_Bond_Stereo_Count	0
4722595	Defined_Bond_Stereo_Count	0
135434911	Hydrogen_Bond_Acceptor_Count	5
84731066	Mono_Isotopic_Weight	118.062994177
129627734	Defined_Atom_Stereo_Count	17
67239	Undefined_Atom_Stereo_Count	0
659063	Structure_Complexity	579
13404	Non-hydrogen_Atom_Count	10
6918282	Molecular_Weight	489.0
96405	Molecular_Weight	147.15
10450027	Hydrogen_Bond_Donor_Count	8
10017019	Defined_Bond_Stereo_Count	0
3225	Hydrogen_Bond_Donor_Count	2
70190	Covalent_Unit_Count	1
16664362	Defined_Atom_Stereo_Count	0
695	Rotatable_Bond_Count	4
4871	Defined_Atom_Stereo_Count	0
70783	Covalent_Unit_Count	1
12358970	XLogP3	2.4
705467	Total_Formal_Charge	0
7289	Isotope_Atom_Count	0
86248095	XLogP3-AA	0.7
605461	Hydrogen_Bond_Acceptor_Count	2
19695800	Total_Formal_Charge	0
657255	Isotope_Atom_Count	0
129627816	Undefined_Bond_Stereo_Count	0
9989234	Hydrogen_Bond_Donor_Count	1
3137	Defined_Bond_Stereo_Count	0
46724	XLogP3-AA	2.6
68600	Defined_Atom_Stereo_Count	2
5026	TPSA	123
71464685	Exact_Mass	478.24274944
75777	Mono_Isotopic_Weight	187.063328530
86671471	Hydrogen_Bond_Donor_Count	2
70484261	Defined_Atom_Stereo_Count	0
2372	Mono_Isotopic_Weight	345.19400834
18908	XLogP3-AA	3.4
7841	Undefined_Bond_Stereo_Count	0
34633	Exact_Mass	427.15657746
15710945	Non-hydrogen_Atom_Count	30
69935742	TPSA	52
81432	XLogP3-AA	2.5
11292963	XLogP3-AA	5.1
2914	Molecular_Weight	416.9
656664	Mono_Isotopic_Weight	320.1291556
62510	Non-hydrogen_Atom_Count	7
15788279	Undefined_Bond_Stereo_Count	0
7772	Hydrogen_Bond_Donor_Count	0
494937	Hydrogen_Bond_Donor_Count	5
3710788	Undefined_Atom_Stereo_Count	0
6509724	Mono_Isotopic_Weight	534.2132792
77012	Structure_Complexity	639
11630056	Defined_Bond_Stereo_Count	0
13922	Hydrogen_Bond_Acceptor_Count	8
15284	Undefined_Bond_Stereo_Count	0
134922506	Isotope_Atom_Count	0
11825335	Non-hydrogen_Atom_Count	27
475	Defined_Bond_Stereo_Count	0
71680844	Rotatable_Bond_Count	4
135744192	Molecular_Weight	116.08
1519487	Structure_Complexity	32.5
27461	Hydrogen_Bond_Acceptor_Count	10
20885	Undefined_Atom_Stereo_Count	0
24860971	Covalent_Unit_Count	1
10909502	Covalent_Unit_Count	1
26318	Tautomer_Count	1
133136	Structure_Complexity	721
76997051	Molecular_Weight	99.17
435459	Undefined_Atom_Stereo_Count	6
41462	Hydrogen_Bond_Donor_Count	1
123133871	Covalent_Unit_Count	1
40472	Hydrogen_Bond_Donor_Count	0
72163100	Isotope_Atom_Count	0
593919	Mono_Isotopic_Weight	200.94254
49862872	Rotatable_Bond_Count	2
25188420	Undefined_Bond_Stereo_Count	0
542158	Isotope_Atom_Count	0
11949689	Structure_Complexity	538
79491	Undefined_Atom_Stereo_Count	0
8447	Rotatable_Bond_Count	3
92024228	Hydrogen_Bond_Donor_Count	4
14025	Undefined_Atom_Stereo_Count	0
240373	Mono_Isotopic_Weight	282.07866149
589692	Defined_Atom_Stereo_Count	0
42602097	Undefined_Atom_Stereo_Count	1
29228	Undefined_Atom_Stereo_Count	0
912	Tautomer_Count	2
398729	Total_Formal_Charge	0
13593982	Hydrogen_Bond_Donor_Count	1
81080	Rotatable_Bond_Count	11
138404422	Undefined_Bond_Stereo_Count	0
7067	Molecular_Weight	179.26
13245696	Structure_Complexity	103
5282822	Non-hydrogen_Atom_Count	20
77930	Defined_Bond_Stereo_Count	0
177739	Undefined_Atom_Stereo_Count	0
171995	Total_Formal_Charge	0
534954	Total_Formal_Charge	0
44451124	Exact_Mass	577.27880059
53249784	Exact_Mass	205.11142153
11104792	Molecular_Weight	811.0
11636795	Hydrogen_Bond_Donor_Count	0
104799	XLogP3-AA	0.9
129729130	Non-hydrogen_Atom_Count	34
109014	Undefined_Bond_Stereo_Count	0
11631565	XLogP3-AA	5.4
3011155	Undefined_Atom_Stereo_Count	0
41017	Undefined_Atom_Stereo_Count	0
63622	Defined_Bond_Stereo_Count	0
135424953	Non-hydrogen_Atom_Count	18
15189027	Rotatable_Bond_Count	1
825784	Covalent_Unit_Count	1
54492709	Defined_Atom_Stereo_Count	0
3058221	Defined_Bond_Stereo_Count	0
18755011	Hydrogen_Bond_Donor_Count	1
20767638	Molecular_Weight	113.12
58792515	Structure_Complexity	139
57568	Exact_Mass	211.157228913
57395977	Rotatable_Bond_Count	10
23982	Mono_Isotopic_Weight	157.92411
94972	Total_Formal_Charge	0
8408	Undefined_Bond_Stereo_Count	0
6618	Covalent_Unit_Count	1
54567078	Undefined_Bond_Stereo_Count	0
57400037	Rotatable_Bond_Count	3
656823	Hydrogen_Bond_Acceptor_Count	8
2846928	Undefined_Atom_Stereo_Count	0
23479	Tautomer_Count	1
95902	Undefined_Atom_Stereo_Count	0
6420023	Isotope_Atom_Count	0
98047377	Undefined_Atom_Stereo_Count	0
162569	Defined_Bond_Stereo_Count	0
123334	Isotope_Atom_Count	0
18430531	Covalent_Unit_Count	1
69674601	Hydrogen_Bond_Donor_Count	1
657378	Undefined_Bond_Stereo_Count	0
30541	Non-hydrogen_Atom_Count	20
1212	TPSA	118
76008	Defined_Bond_Stereo_Count	0
18608	Molecular_Weight	208.26
132584645	TPSA	43.4
24755482	Rotatable_Bond_Count	12
4451502	Tautomer_Count	3
16376	Non-hydrogen_Atom_Count	8
9904746	Total_Formal_Charge	0
70678541	Rotatable_Bond_Count	17
66545	Mono_Isotopic_Weight	238.04121336
6951563	Non-hydrogen_Atom_Count	11
135405908	TPSA	98.2
6559	Molecular_Weight	69.11
316473	Isotope_Atom_Count	0
62351	Exact_Mass	147.01764164
68648	Undefined_Bond_Stereo_Count	0
46244259	Exact_Mass	441.18346091
33643	Isotope_Atom_Count	0
9571037	Defined_Atom_Stereo_Count	0
14511497	Covalent_Unit_Count	1
52942212	Exact_Mass	443.12683226
105131	Molecular_Weight	122.95
3433	Isotope_Atom_Count	0
16683101	Total_Formal_Charge	0
21584701	Undefined_Bond_Stereo_Count	0
2809	XLogP3	3.3
9454	TPSA	71.1
4810	Exact_Mass	241.0730377
8651	Molecular_Weight	210.23
139088049	Structure_Complexity	953
135509147	Structure_Complexity	754
5765	Tautomer_Count	1
41575	Hydrogen_Bond_Donor_Count	2
2905	Hydrogen_Bond_Acceptor_Count	4
6858209	Molecular_Weight	770.5
101016656	Defined_Atom_Stereo_Count	0
454	XLogP3-AA	2.7
12200749	Covalent_Unit_Count	1
142796	Exact_Mass	68.026214747
53555	Molecular_Weight	283.32
2719	Hydrogen_Bond_Acceptor_Count	3
6791	Rotatable_Bond_Count	1
12233	Rotatable_Bond_Count	2
134687037	Covalent_Unit_Count	2
3033012	Rotatable_Bond_Count	5
556487	Exact_Mass	94.078250319
11497836	Total_Formal_Charge	0
134056	Defined_Bond_Stereo_Count	0
133136	Defined_Atom_Stereo_Count	0
53763275	Total_Formal_Charge	0
915014	Defined_Bond_Stereo_Count	0
2394	Exact_Mass	1156.40524244
63959	Tautomer_Count	4
84733	Defined_Atom_Stereo_Count	0
57238241	Rotatable_Bond_Count	1
53983207	Undefined_Bond_Stereo_Count	1
819440	Defined_Bond_Stereo_Count	0
6537099	Total_Formal_Charge	0
86601564	Total_Formal_Charge	0
53936618	Isotope_Atom_Count	0
12444299	Non-hydrogen_Atom_Count	35
67277	Undefined_Bond_Stereo_Count	0
131874127	Hydrogen_Bond_Acceptor_Count	4
45052197	Defined_Atom_Stereo_Count	0
16699	Mono_Isotopic_Weight	157.110278721
66624088	TPSA	54.7
12868288	Undefined_Bond_Stereo_Count	0
73114967	Exact_Mass	114.068079557
10238982	Rotatable_Bond_Count	10
10219398	Mono_Isotopic_Weight	111.032028402
51504	Rotatable_Bond_Count	10
20638786	Defined_Bond_Stereo_Count	0
214350	Covalent_Unit_Count	1
12048	Molecular_Weight	100.20
14724482	Structure_Complexity	2720
11957635	Molecular_Weight	246.73
548545	Total_Formal_Charge	0
16847	Structure_Complexity	496
58084	XLogP3-AA	2.6
70445	Structure_Complexity	76.5
44359653	Exact_Mass	1264.59104382
43961	Total_Formal_Charge	0
2251	Rotatable_Bond_Count	8
256539	Structure_Complexity	345
60154327	Exact_Mass	319.0948358
30215	Defined_Atom_Stereo_Count	0
99453	Tautomer_Count	1
6702	Isotope_Atom_Count	0
2734672	Rotatable_Bond_Count	1
455799	Isotope_Atom_Count	0
1548971	Exact_Mass	410.17676144
2762919	Defined_Bond_Stereo_Count	0
640759	XLogP3	1.6
60595	Mono_Isotopic_Weight	264.126263138
164656	Defined_Bond_Stereo_Count	0
23725063	Defined_Bond_Stereo_Count	0
162955682	Rotatable_Bond_Count	4
134738658	Non-hydrogen_Atom_Count	29
10813807	XLogP3-AA	1
20003	Defined_Atom_Stereo_Count	0
119569	Undefined_Bond_Stereo_Count	0
15853200	Rotatable_Bond_Count	2
70696694	Isotope_Atom_Count	0
60196380	Undefined_Bond_Stereo_Count	0
16759993	Structure_Complexity	457
5225	Exact_Mass	420.09912215
6853	Hydrogen_Bond_Acceptor_Count	0
159889	Structure_Complexity	315
627923	Molecular_Weight	307.35
9908783	Molecular_Weight	397.4
590908	Isotope_Atom_Count	0
696858	Exact_Mass	334.14297583
78723	Structure_Complexity	403
8784	XLogP3	2.1
440552	Isotope_Atom_Count	0
5603	Exact_Mass	115.136099547
76241	Hydrogen_Bond_Donor_Count	0
154574495	Rotatable_Bond_Count	2
135442196	Mono_Isotopic_Weight	803.09524014
22643	Rotatable_Bond_Count	2
21242473	Total_Formal_Charge	0
10239608	Hydrogen_Bond_Donor_Count	4
10470290	Mono_Isotopic_Weight	304.10725903
101642132	Structure_Complexity	90.4
45256107	Exact_Mass	360.12224039
1227	XLogP3-AA	0.3
12459572	Covalent_Unit_Count	1
41114	Hydrogen_Bond_Donor_Count	2
66638	Non-hydrogen_Atom_Count	17
21958071	Total_Formal_Charge	0
66858	Hydrogen_Bond_Donor_Count	1
58181522	Hydrogen_Bond_Donor_Count	2
87573795	Rotatable_Bond_Count	29
17963363	Undefined_Bond_Stereo_Count	0
49866025	Defined_Atom_Stereo_Count	2
8620	Isotope_Atom_Count	0
222536	Hydrogen_Bond_Donor_Count	0
34755	Exact_Mass	398.13723900
18241	Undefined_Bond_Stereo_Count	0
415	Mono_Isotopic_Weight	192.089877630
22391	TPSA	20.3
123642	Undefined_Atom_Stereo_Count	2
289539	Rotatable_Bond_Count	0
15612	Hydrogen_Bond_Donor_Count	0
69091	Defined_Atom_Stereo_Count	0
95162564	Defined_Bond_Stereo_Count	0
8673	TPSA	151
9552077	Covalent_Unit_Count	7
56991659	Non-hydrogen_Atom_Count	8
129728843	Hydrogen_Bond_Acceptor_Count	2
4179	Isotope_Atom_Count	0
13933900	Rotatable_Bond_Count	1
71458236	Hydrogen_Bond_Donor_Count	3
77009	Structure_Complexity	176
5311181	Isotope_Atom_Count	0
1201546	Exact_Mass	132.96560607
649217	Covalent_Unit_Count	1
12089	TPSA	75.4
244809	Non-hydrogen_Atom_Count	22
11638363	TPSA	58.7
71306415	Covalent_Unit_Count	2
403924	Hydrogen_Bond_Acceptor_Count	18
398721	Non-hydrogen_Atom_Count	20
76783	Mono_Isotopic_Weight	626.53078201
9568637	Covalent_Unit_Count	11
9662	Molecular_Weight	98.48
9170	Molecular_Weight	228.3
117783900	Undefined_Atom_Stereo_Count	3
67105	Hydrogen_Bond_Acceptor_Count	2
91353581	Molecular_Weight	113.11
15463	Undefined_Atom_Stereo_Count	0
22221797	Exact_Mass	182.018755
139629011	Rotatable_Bond_Count	2
137609	Molecular_Weight	115.17
22316388	Molecular_Weight	108.10
118704754	Non-hydrogen_Atom_Count	29
24086	Molecular_Weight	371.4
54166403	TPSA	29.1
154517323	Total_Formal_Charge	0
9794485	Exact_Mass	185.141578849
20298629	Non-hydrogen_Atom_Count	13
6917663	Covalent_Unit_Count	1
3031	Total_Formal_Charge	0
68489225	Exact_Mass	399.16952493
78220	Non-hydrogen_Atom_Count	12
135409471	Rotatable_Bond_Count	2
60702934	Covalent_Unit_Count	1
86022	Undefined_Atom_Stereo_Count	2
54584775	Hydrogen_Bond_Donor_Count	1
18719616	Mono_Isotopic_Weight	97.016378338
153903	XLogP3-AA	1.1
44443933	Defined_Atom_Stereo_Count	6
44338773	TPSA	138
80277	Total_Formal_Charge	0
13380150	Molecular_Weight	114.19
15689	Undefined_Bond_Stereo_Count	0
6433272	Undefined_Bond_Stereo_Count	0
82412	Defined_Atom_Stereo_Count	0
12842600	Defined_Atom_Stereo_Count	0
12266	Non-hydrogen_Atom_Count	7
54704426	Exact_Mass	480.1299435
53483390	Hydrogen_Bond_Donor_Count	6
5205	TPSA	3.2
102210	Mono_Isotopic_Weight	316.20384475
11617559	Total_Formal_Charge	0
22160831	Undefined_Atom_Stereo_Count	1
14241402	Hydrogen_Bond_Acceptor_Count	2
23676755	Undefined_Bond_Stereo_Count	0
10161315	Defined_Atom_Stereo_Count	0
89121960	Total_Formal_Charge	0
64971	Molecular_Weight	456.7
23533306	Rotatable_Bond_Count	4
515574	Defined_Atom_Stereo_Count	0
16700308	Undefined_Atom_Stereo_Count	0
26204	Hydrogen_Bond_Acceptor_Count	2
21654475	Molecular_Weight	161.54
4658963	Hydrogen_Bond_Donor_Count	2
107926	Defined_Atom_Stereo_Count	1
56208	Isotope_Atom_Count	0
130169	Tautomer_Count	1
15041624	Total_Formal_Charge	0
23010495	Molecular_Weight	284.35
118253852	Rotatable_Bond_Count	5
134694738	Defined_Bond_Stereo_Count	0
7525	XLogP3	0
10428273	Defined_Atom_Stereo_Count	0
475319	Molecular_Weight	426.4
163090692	Rotatable_Bond_Count	11
12029691	XLogP3-AA	4.9
88300	Molecular_Weight	296.4
16073666	Isotope_Atom_Count	0
9348	Structure_Complexity	246
127382	Hydrogen_Bond_Acceptor_Count	5
13546	Rotatable_Bond_Count	2
29227	Hydrogen_Bond_Acceptor_Count	2
73830	Total_Formal_Charge	0
13399110	Undefined_Bond_Stereo_Count	0
249266	XLogP3	4.5
53778	Hydrogen_Bond_Acceptor_Count	4
2778	Undefined_Atom_Stereo_Count	17
6215	Total_Formal_Charge	0
50888	Hydrogen_Bond_Donor_Count	2
91030322	Undefined_Bond_Stereo_Count	1
51041322	Isotope_Atom_Count	5
9917013	Hydrogen_Bond_Donor_Count	2
156252	Undefined_Atom_Stereo_Count	0
13400858	Defined_Atom_Stereo_Count	0
101333850	Defined_Atom_Stereo_Count	2
57391554	Defined_Bond_Stereo_Count	0
11473	Undefined_Atom_Stereo_Count	0
7980	Hydrogen_Bond_Acceptor_Count	7
12540907	TPSA	37.4
5282198	Defined_Atom_Stereo_Count	1
11182588	Non-hydrogen_Atom_Count	8
214038	Exact_Mass	496.2623340
12599713	Undefined_Atom_Stereo_Count	2
20931	Mono_Isotopic_Weight	118.099379685
25271979	Structure_Complexity	405
86857	Rotatable_Bond_Count	4
22096	Exact_Mass	242.04265265
70690637	Molecular_Weight	415.4
12661198	Hydrogen_Bond_Acceptor_Count	2
12305986	XLogP3-AA	1.1
94215	Hydrogen_Bond_Donor_Count	2
23377189	Hydrogen_Bond_Acceptor_Count	0
24752	Exact_Mass	190.15689456
5536	Hydrogen_Bond_Acceptor_Count	6
450598	TPSA	83.6
15257141	Total_Formal_Charge	0
54915	Hydrogen_Bond_Acceptor_Count	7
472172	Covalent_Unit_Count	1
16212939	Undefined_Atom_Stereo_Count	0
57395447	Rotatable_Bond_Count	10
688145	Defined_Bond_Stereo_Count	1
7311	Structure_Complexity	206
164	Defined_Bond_Stereo_Count	0
133109022	Defined_Atom_Stereo_Count	6
54742	TPSA	62
9966051	Exact_Mass	298.15036988
605461	Undefined_Bond_Stereo_Count	0
11094599	Non-hydrogen_Atom_Count	10
182484	Tautomer_Count	1
9909054	Total_Formal_Charge	0
81885	Isotope_Atom_Count	0
10718	Structure_Complexity	338
71971	TPSA	41.5
53476	Hydrogen_Bond_Acceptor_Count	4
9400	Total_Formal_Charge	0
87877	Isotope_Atom_Count	0
79146	Tautomer_Count	1
68321898	Defined_Bond_Stereo_Count	0
442866	Hydrogen_Bond_Donor_Count	5
39268	Rotatable_Bond_Count	8
573744	Total_Formal_Charge	0
37271	Total_Formal_Charge	0
17787	Defined_Atom_Stereo_Count	0
5321765	Undefined_Atom_Stereo_Count	0
156618073	Rotatable_Bond_Count	4
90771502	Defined_Atom_Stereo_Count	0
45358975	TPSA	7.8
53631403	Hydrogen_Bond_Acceptor_Count	2
11393	Molecular_Weight	186.21
99516	Undefined_Bond_Stereo_Count	0
2771917	Mono_Isotopic_Weight	98.084398327
67944	Molecular_Weight	214.3
54594759	Covalent_Unit_Count	1
672	Undefined_Atom_Stereo_Count	3
23279312	Structure_Complexity	123
656602	Non-hydrogen_Atom_Count	30
135678081	Mono_Isotopic_Weight	556.14312602
117890905	Structure_Complexity	113
4712728	Hydrogen_Bond_Donor_Count	1
12734620	Molecular_Weight	126.20
66342	Mono_Isotopic_Weight	292.121177757
5310957	Covalent_Unit_Count	1
20207	TPSA	18.5
15731	Defined_Bond_Stereo_Count	0
6097028	Undefined_Atom_Stereo_Count	0
194519	Mono_Isotopic_Weight	304.02175079
41839	Structure_Complexity	449
14058558	Hydrogen_Bond_Acceptor_Count	3
72325	Molecular_Weight	422.5
15174929	Defined_Bond_Stereo_Count	0
123597	Rotatable_Bond_Count	13
66764517	Undefined_Bond_Stereo_Count	0
78590	Undefined_Atom_Stereo_Count	0
33360	Hydrogen_Bond_Donor_Count	0
66323	Molecular_Weight	199.59
297888	TPSA	54.4
656598	Isotope_Atom_Count	0
18952630	Structure_Complexity	52
38764	Structure_Complexity	297
9812534	Hydrogen_Bond_Donor_Count	4
75312	Molecular_Weight	259.43
14381189	Defined_Bond_Stereo_Count	0
105766824	Hydrogen_Bond_Acceptor_Count	1
162681560	Non-hydrogen_Atom_Count	8
11817188	Defined_Atom_Stereo_Count	0
445715	Isotope_Atom_Count	0
55342	Defined_Bond_Stereo_Count	0
5288101	Rotatable_Bond_Count	3
288541	Isotope_Atom_Count	0
10167713	Undefined_Bond_Stereo_Count	0
605877	Defined_Bond_Stereo_Count	0
11601544	Defined_Atom_Stereo_Count	1
4205687	Non-hydrogen_Atom_Count	8
101094784	TPSA	69.7
14865900	Hydrogen_Bond_Acceptor_Count	2
9403	Isotope_Atom_Count	0
23421180	Covalent_Unit_Count	1
131966078	Covalent_Unit_Count	1
16049448	Structure_Complexity	581
119096639	Covalent_Unit_Count	1
12338288	Hydrogen_Bond_Acceptor_Count	1
88784945	Rotatable_Bond_Count	2
360	Hydrogen_Bond_Acceptor_Count	9
15950005	Molecular_Weight	389.5
45488108	Undefined_Atom_Stereo_Count	0
535634	Non-hydrogen_Atom_Count	6
156599244	Undefined_Bond_Stereo_Count	1
118014938	Exact_Mass	114.104465066
60152109	Undefined_Bond_Stereo_Count	0
10499446	Covalent_Unit_Count	1
65702	Isotope_Atom_Count	0
362828	Mono_Isotopic_Weight	297.11134135
22967002	Total_Formal_Charge	0
35364	TPSA	0
69362	Exact_Mass	118.062994177
5879967	Isotope_Atom_Count	0
5323976	TPSA	41.9
16124688	Rotatable_Bond_Count	1
523	Hydrogen_Bond_Acceptor_Count	4
182139	Tautomer_Count	1
10486809	Total_Formal_Charge	0
1252769	Undefined_Atom_Stereo_Count	0
107694	Exact_Mass	712.3530671
6786	Defined_Bond_Stereo_Count	0
4557	Total_Formal_Charge	0
53762932	Defined_Bond_Stereo_Count	0
556485	Mono_Isotopic_Weight	112.088815002
26651	Non-hydrogen_Atom_Count	30
441328	Structure_Complexity	461
637146	Rotatable_Bond_Count	1
6210	Structure_Complexity	63.1
42108	Undefined_Bond_Stereo_Count	0
93083	Non-hydrogen_Atom_Count	6
46871657	Covalent_Unit_Count	1
9886286	Rotatable_Bond_Count	6
23616669	Undefined_Bond_Stereo_Count	0
16091082	Undefined_Atom_Stereo_Count	0
54078821	Hydrogen_Bond_Acceptor_Count	2
21863274	Rotatable_Bond_Count	2
6918412	TPSA	246
558526	Defined_Bond_Stereo_Count	0
70696864	Mono_Isotopic_Weight	428.20730742
69370	Non-hydrogen_Atom_Count	8
8028	Undefined_Atom_Stereo_Count	0
77013	Undefined_Bond_Stereo_Count	0
76658	TPSA	66.8
13327	Isotope_Atom_Count	0
10262683	Isotope_Atom_Count	0
7	Total_Formal_Charge	0
129073603	Defined_Bond_Stereo_Count	0
4639	Defined_Bond_Stereo_Count	0
22385449	Defined_Atom_Stereo_Count	0
5363355	Mono_Isotopic_Weight	333.0548008
102861	Hydrogen_Bond_Donor_Count	0
76830	Molecular_Weight	257.09
7551	Covalent_Unit_Count	1
6919170	XLogP3	4.7
67413	TPSA	284
3554	Mono_Isotopic_Weight	783.29064583
712421	Undefined_Atom_Stereo_Count	0
25137678	Tautomer_Count	1
59772	Molecular_Weight	413.5
87480477	Rotatable_Bond_Count	3
20695	Covalent_Unit_Count	1
135422052	TPSA	200
25116186	TPSA	114
79693	Structure_Complexity	131
6858240	Hydrogen_Bond_Acceptor_Count	10
13296868	Rotatable_Bond_Count	4
400772	XLogP3-AA	1.4
11655511	XLogP3-AA	2.8
54587226	TPSA	99.4
4679699	Non-hydrogen_Atom_Count	12
609	Molecular_Weight	259.15
160430	TPSA	84.6
25164108	Isotope_Atom_Count	0
10898638	Exact_Mass	84.057514874
701841	Hydrogen_Bond_Acceptor_Count	4
83864197	Non-hydrogen_Atom_Count	8
21058179	Defined_Bond_Stereo_Count	0
11717001	Isotope_Atom_Count	0
391	Isotope_Atom_Count	0
71751934	Exact_Mass	327.202608250
93804	Hydrogen_Bond_Acceptor_Count	7
9526	Undefined_Bond_Stereo_Count	0
2519	Total_Formal_Charge	0
13931173	Hydrogen_Bond_Acceptor_Count	2
13462	Defined_Bond_Stereo_Count	0
129010376	Hydrogen_Bond_Acceptor_Count	5
721947	Hydrogen_Bond_Donor_Count	0
123935	Exact_Mass	217.10625597
69338	Hydrogen_Bond_Donor_Count	1
518872	Tautomer_Count	1
28610	Defined_Bond_Stereo_Count	0
9113	Total_Formal_Charge	0
55291303	Hydrogen_Bond_Acceptor_Count	2
12387212	Structure_Complexity	54.9
135472946	Undefined_Atom_Stereo_Count	0
9838356	Structure_Complexity	363
69332716	Hydrogen_Bond_Acceptor_Count	3
16218641	Defined_Bond_Stereo_Count	0
66048	Non-hydrogen_Atom_Count	8
2051	Exact_Mass	315.0774544
3080714	Tautomer_Count	53
145961	Defined_Atom_Stereo_Count	0
68669	Isotope_Atom_Count	0
6918314	XLogP3-AA	4
13333	TPSA	35.9
37270	Mono_Isotopic_Weight	421.779623
15032	Rotatable_Bond_Count	1
8658	XLogP3	1.7
443586	Mono_Isotopic_Weight	183.05315777
4436967	Non-hydrogen_Atom_Count	27
13050985	Structure_Complexity	91.9
441328	Hydrogen_Bond_Acceptor_Count	7
51402807	Non-hydrogen_Atom_Count	33
12434511	Hydrogen_Bond_Donor_Count	0
60196386	Covalent_Unit_Count	2
102738	Total_Formal_Charge	0
65768	Undefined_Bond_Stereo_Count	0
3034645	Rotatable_Bond_Count	1
148931546	Total_Formal_Charge	0
5143	Hydrogen_Bond_Donor_Count	1
12138	Molecular_Weight	212.29
69317	XLogP3-AA	4.6
168971	Hydrogen_Bond_Acceptor_Count	16
10498206	Mono_Isotopic_Weight	352.215078140
5388993	Rotatable_Bond_Count	10
102102472	Total_Formal_Charge	0
3293	Undefined_Atom_Stereo_Count	0
643587	Hydrogen_Bond_Acceptor_Count	0
449242	Covalent_Unit_Count	1
54676038	Non-hydrogen_Atom_Count	25
154825180	Isotope_Atom_Count	0
66051	Undefined_Bond_Stereo_Count	0
138195	Non-hydrogen_Atom_Count	9
11954310	Exact_Mass	452.32904526
163668741	Structure_Complexity	109
57972066	TPSA	190
7463	Rotatable_Bond_Count	1
68424	Rotatable_Bond_Count	1
23684696	Defined_Atom_Stereo_Count	0
15301053	Structure_Complexity	489
67317342	XLogP3-AA	1.3
3080836	Covalent_Unit_Count	2
134056	Molecular_Weight	298.4
6537495	Non-hydrogen_Atom_Count	11
5401	Covalent_Unit_Count	1
16760063	XLogP3-AA	5.9
11206	Total_Formal_Charge	0
16091082	Defined_Atom_Stereo_Count	0
20205	Covalent_Unit_Count	1
24808	Structure_Complexity	8
4456	Undefined_Atom_Stereo_Count	0
98790	Defined_Bond_Stereo_Count	0
25256833	Non-hydrogen_Atom_Count	20
71905	Isotope_Atom_Count	0
12576852	Molecular_Weight	112.13
1387	XLogP3-AA	0.6
882889	Defined_Atom_Stereo_Count	0
739183	Non-hydrogen_Atom_Count	13
88154	Mono_Isotopic_Weight	252.17254462
18719616	Covalent_Unit_Count	1
19935381	Undefined_Bond_Stereo_Count	0
77288	Hydrogen_Bond_Acceptor_Count	1
948954	Defined_Atom_Stereo_Count	0
34624	Undefined_Atom_Stereo_Count	0
60196393	Defined_Bond_Stereo_Count	0
45791261	Covalent_Unit_Count	1
51001299	Mono_Isotopic_Weight	375.15513817
16224	Tautomer_Count	1
33038	Isotope_Atom_Count	0
8588	Molecular_Weight	210.27
135566371	Hydrogen_Bond_Acceptor_Count	8
129716995	Non-hydrogen_Atom_Count	26
129864969	Rotatable_Bond_Count	2
97758	Hydrogen_Bond_Acceptor_Count	1
23262897	Isotope_Atom_Count	0
115355	Molecular_Weight	329.23
73455777	Undefined_Atom_Stereo_Count	2
146680	Structure_Complexity	753
60203	TPSA	31.4
129853863	Exact_Mass	266.260965704
21162821	Undefined_Bond_Stereo_Count	0
44563116	Hydrogen_Bond_Donor_Count	1
520711	TPSA	12
74325	Defined_Bond_Stereo_Count	0
121639	Defined_Bond_Stereo_Count	0
11124	Structure_Complexity	49.5
61278	Exact_Mass	86.036779430
14534553	Structure_Complexity	649
55511	Non-hydrogen_Atom_Count	17
66603	Exact_Mass	247.877940
23664054	Molecular_Weight	248.16
44560703	Mono_Isotopic_Weight	331.09906259
66082	Total_Formal_Charge	0
549699	XLogP3-AA	0.9
57406720	TPSA	71.6
3000	Rotatable_Bond_Count	2
10887879	Total_Formal_Charge	0
5324166	Rotatable_Bond_Count	2
44338843	TPSA	151
44578693	Defined_Atom_Stereo_Count	1
71649	Defined_Bond_Stereo_Count	0
8121	Defined_Atom_Stereo_Count	0
20448997	Total_Formal_Charge	0
20821286	Undefined_Bond_Stereo_Count	0
66027	Undefined_Atom_Stereo_Count	0
83403	Molecular_Weight	200.23
19040	Defined_Atom_Stereo_Count	0
123178351	Rotatable_Bond_Count	3
5171	Mono_Isotopic_Weight	293.13282569
11569967	XLogP3-AA	3.2
520660	Non-hydrogen_Atom_Count	7
5281065	Non-hydrogen_Atom_Count	60
134825744	Defined_Bond_Stereo_Count	0
14741640	Defined_Bond_Stereo_Count	0
65092	Undefined_Atom_Stereo_Count	0
17920260	XLogP3-AA	1.5
129654479	TPSA	29.6
22833295	Exact_Mass	766.30363561
13542	Structure_Complexity	88.1
60196380	Defined_Atom_Stereo_Count	0
139062042	Defined_Atom_Stereo_Count	1
358996	TPSA	46.3
130150414	Isotope_Atom_Count	0
90561	Hydrogen_Bond_Donor_Count	2
43905	Molecular_Weight	291.27
3195	Molecular_Weight	294.4
209580	Hydrogen_Bond_Acceptor_Count	3
134834579	Total_Formal_Charge	0
23338788	Molecular_Weight	100.12
71402	Covalent_Unit_Count	1
69813	Covalent_Unit_Count	1
93843	Covalent_Unit_Count	1
4196	Covalent_Unit_Count	1
11527774	Non-hydrogen_Atom_Count	38
11073376	Hydrogen_Bond_Donor_Count	2
53262279	Undefined_Bond_Stereo_Count	0
21718085	Exact_Mass	94.078250319
23713799	Isotope_Atom_Count	0
6918155	Non-hydrogen_Atom_Count	39
88709052	Mono_Isotopic_Weight	103.063328530
3786	Molecular_Weight	233.29
23688461	Isotope_Atom_Count	0
57110036	Hydrogen_Bond_Donor_Count	1
46203882	Exact_Mass	167.105862047
55294	Non-hydrogen_Atom_Count	18
13399110	Undefined_Atom_Stereo_Count	0
3687	Hydrogen_Bond_Donor_Count	3
9097	Total_Formal_Charge	0
54602348	Hydrogen_Bond_Acceptor_Count	2
90066559	Undefined_Atom_Stereo_Count	2
2324	Hydrogen_Bond_Acceptor_Count	8
13019052	Mono_Isotopic_Weight	416.32904526
76964236	Exact_Mass	628.13394
14818447	Mono_Isotopic_Weight	121.93478
45358001	Defined_Bond_Stereo_Count	0
118210659	Undefined_Atom_Stereo_Count	0
6918331	Tautomer_Count	1
8212	Molecular_Weight	302.9
70819549	Exact_Mass	330.13848159
123208701	Mono_Isotopic_Weight	99.104799419
692643	Total_Formal_Charge	0
264090	Hydrogen_Bond_Donor_Count	0
12219387	Mono_Isotopic_Weight	76.0313001276
16667736	Defined_Bond_Stereo_Count	2
11256720	Covalent_Unit_Count	1
722292	Total_Formal_Charge	0
70699	Rotatable_Bond_Count	0
5083	Covalent_Unit_Count	1
9399	Hydrogen_Bond_Acceptor_Count	6
84976	TPSA	103
16219385	Hydrogen_Bond_Acceptor_Count	6
517957	Tautomer_Count	1
59904965	Molecular_Weight	21.065
60982	Structure_Complexity	166
155920671	Hydrogen_Bond_Donor_Count	5
156614100	Rotatable_Bond_Count	9
55286809	Non-hydrogen_Atom_Count	8
134479	Molecular_Weight	141.21
122236791	Covalent_Unit_Count	2
7472	Hydrogen_Bond_Donor_Count	1
6420020	Structure_Complexity	494
91177201	Total_Formal_Charge	0
44352805	Mono_Isotopic_Weight	519.14640670
749824	Covalent_Unit_Count	1
568	Hydrogen_Bond_Donor_Count	0
73695606	Rotatable_Bond_Count	1
140732872	Undefined_Atom_Stereo_Count	2
19077516	Molecular_Weight	430.9
443073	Molecular_Weight	119.12
24182786	Tautomer_Count	2
8763	Tautomer_Count	1
11867	Exact_Mass	173.99867984
13232	Defined_Bond_Stereo_Count	0
4066093	Undefined_Bond_Stereo_Count	0
87357201	Structure_Complexity	291
36190	TPSA	21.7
55287916	Rotatable_Bond_Count	2
69342090	Exact_Mass	108.032362755
129651417	Exact_Mass	163.0188769
23691029	Tautomer_Count	4
60663	Tautomer_Count	2
428338	Defined_Bond_Stereo_Count	0
102334657	Non-hydrogen_Atom_Count	33
38102	Total_Formal_Charge	0
38012	XLogP3	6.5
17779280	Covalent_Unit_Count	1
9282	Defined_Atom_Stereo_Count	0
85695	Undefined_Bond_Stereo_Count	0
450484	Non-hydrogen_Atom_Count	22
12127	Tautomer_Count	3
59277765	Non-hydrogen_Atom_Count	7
22084	Molecular_Weight	143.23
20557721	Hydrogen_Bond_Donor_Count	3
36303	Isotope_Atom_Count	0
21566834	Rotatable_Bond_Count	1
12285892	Undefined_Bond_Stereo_Count	0
151404	TPSA	40.9
23368	Isotope_Atom_Count	0
64	Hydrogen_Bond_Donor_Count	2
16132429	Non-hydrogen_Atom_Count	172
6437648	XLogP3-AA	4.9
90817017	Non-hydrogen_Atom_Count	20
62576	Rotatable_Bond_Count	4
23670770	Non-hydrogen_Atom_Count	27
439271	Total_Formal_Charge	0
20632752	Total_Formal_Charge	0
439286	Undefined_Atom_Stereo_Count	0
135426867	Mono_Isotopic_Weight	165.06505986
76902	Rotatable_Bond_Count	6
6496	Hydrogen_Bond_Donor_Count	0
10400	Covalent_Unit_Count	1
11394	Defined_Atom_Stereo_Count	0
84647614	Isotope_Atom_Count	0
14197638	Non-hydrogen_Atom_Count	8
7859	Exact_Mass	56.026214747
6857536	Hydrogen_Bond_Donor_Count	0
15565709	Defined_Atom_Stereo_Count	1
5514	Rotatable_Bond_Count	3
5281894	Total_Formal_Charge	0
13397	TPSA	20.2
16407	Covalent_Unit_Count	1
60287	Molecular_Weight	263.37
4637	Hydrogen_Bond_Donor_Count	2
17754772	Hydrogen_Bond_Acceptor_Count	4
1123	Structure_Complexity	120
213053	Isotope_Atom_Count	0
119391	Mono_Isotopic_Weight	85.99386925
68736	Covalent_Unit_Count	1
49806720	Defined_Bond_Stereo_Count	0
6323264	Isotope_Atom_Count	0
9870843	Defined_Bond_Stereo_Count	2
7752	Defined_Bond_Stereo_Count	0
137254	Hydrogen_Bond_Acceptor_Count	2
21448982	Defined_Atom_Stereo_Count	0
3983	Undefined_Bond_Stereo_Count	0
146049032	Undefined_Bond_Stereo_Count	0
23279304	Mono_Isotopic_Weight	113.058911855
12400482	Exact_Mass	112.088815002
11154711	Exact_Mass	432.08136409
13401998	Mono_Isotopic_Weight	99.068413911
15347676	Exact_Mass	111.079647300
696858	Total_Formal_Charge	0
16211948	Defined_Bond_Stereo_Count	0
21313738	Undefined_Atom_Stereo_Count	0
54283855	Isotope_Atom_Count	0
20262675	Structure_Complexity	131
176166	Defined_Atom_Stereo_Count	0
72741573	XLogP3-AA	0.8
57109318	Defined_Atom_Stereo_Count	0
89482	Undefined_Bond_Stereo_Count	0
67873	Undefined_Atom_Stereo_Count	0
85760873	Structure_Complexity	118
70299	Defined_Bond_Stereo_Count	0
74616	Covalent_Unit_Count	1
163677749	Hydrogen_Bond_Donor_Count	0
497266	Mono_Isotopic_Weight	292.09066547
3036	Exact_Mass	353.911739
57869404	Defined_Atom_Stereo_Count	0
11329359	TPSA	112
72304	Total_Formal_Charge	0
7638	Rotatable_Bond_Count	3
9840971	Exact_Mass	342.12157168
101906815	Structure_Complexity	5530
32091	Defined_Bond_Stereo_Count	0
889896	Mono_Isotopic_Weight	304.121177757
65335	Isotope_Atom_Count	0
6645	Undefined_Bond_Stereo_Count	0
9883104	Structure_Complexity	270
12148	Exact_Mass	150.079312947
129831062	TPSA	50.3
397053	Mono_Isotopic_Weight	511.9605092
50896	Rotatable_Bond_Count	6
71362	Undefined_Bond_Stereo_Count	0
5288319	Molecular_Weight	157.25
12275548	Mono_Isotopic_Weight	376.07943208
16760595	Undefined_Bond_Stereo_Count	0
55286252	Hydrogen_Bond_Acceptor_Count	3
12205	Hydrogen_Bond_Donor_Count	4
124518033	Mono_Isotopic_Weight	93.032697108
77013	Undefined_Atom_Stereo_Count	0
6857473	Defined_Bond_Stereo_Count	0
712446	Undefined_Bond_Stereo_Count	0
2485	Exact_Mass	555.27517176
14057	Undefined_Atom_Stereo_Count	0
5281394	Undefined_Bond_Stereo_Count	0
4645224	Hydrogen_Bond_Donor_Count	1
89416	Defined_Bond_Stereo_Count	0
335	TPSA	20.2
2844	Total_Formal_Charge	0
56430	Isotope_Atom_Count	0
6163	Molecular_Weight	154.19
883785	Structure_Complexity	248
411051	TPSA	33.1
11852	Mono_Isotopic_Weight	483.59443
5479529	Hydrogen_Bond_Acceptor_Count	10
124769753	Hydrogen_Bond_Donor_Count	1
131676399	Rotatable_Bond_Count	1
123260325	Hydrogen_Bond_Donor_Count	1
40784491	Hydrogen_Bond_Acceptor_Count	2
4040	Molecular_Weight	135.19
5462210	Defined_Bond_Stereo_Count	9
9897412	Rotatable_Bond_Count	11
88153938	Rotatable_Bond_Count	1
108242	Structure_Complexity	375
260716	Hydrogen_Bond_Acceptor_Count	0
13704283	Mono_Isotopic_Weight	114.079312947
10341	TPSA	26.3
123940588	Defined_Bond_Stereo_Count	0
36242	Total_Formal_Charge	0
9845837	XLogP3-AA	2.7
417349	Non-hydrogen_Atom_Count	18
132130914	Total_Formal_Charge	0
119033	Defined_Bond_Stereo_Count	0
8811	Molecular_Weight	264.32
2737408	Undefined_Atom_Stereo_Count	0
10295295	Mono_Isotopic_Weight	414.230728204
1437819	Molecular_Weight	341.8
162081	Total_Formal_Charge	0
8264	Total_Formal_Charge	0
62140646	Rotatable_Bond_Count	2
547995	Non-hydrogen_Atom_Count	7
29494	Defined_Atom_Stereo_Count	0
68682	Molecular_Weight	552.6
59876594	Undefined_Atom_Stereo_Count	1
23667638	Undefined_Atom_Stereo_Count	0
287071	Mono_Isotopic_Weight	111.068413911
4141306	TPSA	133
317883	Structure_Complexity	679
71449805	TPSA	58.7
543047	Mono_Isotopic_Weight	114.068079557
17756	Covalent_Unit_Count	1
52427	Isotope_Atom_Count	0
123292394	Rotatable_Bond_Count	0
20848918	Molecular_Weight	385.03
1564	Molecular_Weight	265.71
24004	Isotope_Atom_Count	0
179383	Defined_Atom_Stereo_Count	0
10953464	Hydrogen_Bond_Donor_Count	2
20149870	Undefined_Bond_Stereo_Count	0
12130	Hydrogen_Bond_Donor_Count	0
443408	Covalent_Unit_Count	1
6889	Exact_Mass	224.94254
18618629	Isotope_Atom_Count	0
70679035	TPSA	13.7
9570639	Non-hydrogen_Atom_Count	28
10486803	Defined_Bond_Stereo_Count	0
88589623	Hydrogen_Bond_Acceptor_Count	14
170813	Isotope_Atom_Count	0
53581	Defined_Atom_Stereo_Count	1
1946	Undefined_Atom_Stereo_Count	0
67375395	Non-hydrogen_Atom_Count	31
53262295	Covalent_Unit_Count	2
12005	Non-hydrogen_Atom_Count	9
18997160	Undefined_Bond_Stereo_Count	0
1367	Defined_Atom_Stereo_Count	0
23657846	Isotope_Atom_Count	0
7402	Undefined_Bond_Stereo_Count	0
3723	Mono_Isotopic_Weight	627.7853
56680189	Defined_Atom_Stereo_Count	0
91489	TPSA	74.2
6327846	Defined_Atom_Stereo_Count	0
11426929	Mono_Isotopic_Weight	311.16337692
6437071	Total_Formal_Charge	0
78644	Defined_Atom_Stereo_Count	0
5311036	Undefined_Bond_Stereo_Count	0
91809622	Hydrogen_Bond_Acceptor_Count	8
87784	Tautomer_Count	1
26758	Rotatable_Bond_Count	4
12576851	XLogP3-AA	0.4
31621	Molecular_Weight	300.4
88269708	Defined_Bond_Stereo_Count	0
44570629	Rotatable_Bond_Count	5
519907	Covalent_Unit_Count	1
13189	TPSA	0
6419928	Rotatable_Bond_Count	4
2733939	Non-hydrogen_Atom_Count	25
611	Molecular_Weight	147.13
314710	Exact_Mass	171.99426317
25117126	Undefined_Bond_Stereo_Count	0
20055423	Defined_Atom_Stereo_Count	8
12262509	Isotope_Atom_Count	0
6431301	Hydrogen_Bond_Acceptor_Count	2
10855394	Hydrogen_Bond_Donor_Count	1
60988	Isotope_Atom_Count	0
115116	Exact_Mass	286.15689456
556371	Isotope_Atom_Count	0
6211	Defined_Bond_Stereo_Count	0
117488	Exact_Mass	502.45148287
11789186	Exact_Mass	118.062994177
45282362	Hydrogen_Bond_Acceptor_Count	4
202519	Exact_Mass	346.21440943
143886	Non-hydrogen_Atom_Count	8
447626	Hydrogen_Bond_Acceptor_Count	1
21333560	Total_Formal_Charge	0
77572	Exact_Mass	104.029356028
612743	Hydrogen_Bond_Donor_Count	1
135423375	XLogP3-AA	2.6
57403815	Total_Formal_Charge	0
135473834	Molecular_Weight	457.4
2823078	Rotatable_Bond_Count	4
143339316	Defined_Atom_Stereo_Count	0
6497	Covalent_Unit_Count	1
12544552	Rotatable_Bond_Count	3
2803172	TPSA	67.4
7058	Isotope_Atom_Count	0
14113	Defined_Bond_Stereo_Count	0
42104317	Defined_Atom_Stereo_Count	3
91129494	TPSA	192
91819969	XLogP3-AA	0.6
12518095	Defined_Bond_Stereo_Count	0
21638785	Undefined_Atom_Stereo_Count	0
9870	TPSA	51.8
84148	Structure_Complexity	86.5
250457	Covalent_Unit_Count	1
71985	Total_Formal_Charge	0
38251	Defined_Atom_Stereo_Count	0
443297	Tautomer_Count	1
98442	Non-hydrogen_Atom_Count	17
6603775	Total_Formal_Charge	0
90472770	Defined_Atom_Stereo_Count	4
15797	Undefined_Atom_Stereo_Count	0
4382	Undefined_Atom_Stereo_Count	0
201734	Hydrogen_Bond_Acceptor_Count	3
6433208	Mono_Isotopic_Weight	472.090968
340026	Covalent_Unit_Count	1
6918160	Tautomer_Count	1
23588	Undefined_Atom_Stereo_Count	0
6974	Hydrogen_Bond_Donor_Count	0
123171678	Isotope_Atom_Count	0
941361	Exact_Mass	404.20640516
79254	Undefined_Atom_Stereo_Count	0
7130	Rotatable_Bond_Count	2
7702	Rotatable_Bond_Count	3
398627	Undefined_Bond_Stereo_Count	0
21922278	Undefined_Atom_Stereo_Count	0
5353758	Defined_Atom_Stereo_Count	0
9718	Rotatable_Bond_Count	0
137092	Defined_Atom_Stereo_Count	0
2076	Isotope_Atom_Count	0
9548889	Defined_Bond_Stereo_Count	0
123618563	Defined_Bond_Stereo_Count	0
16204922	Mono_Isotopic_Weight	330.08680324
11480401	Defined_Bond_Stereo_Count	0
13445118	Molecular_Weight	116.16
4789	Undefined_Bond_Stereo_Count	0
14712340	Undefined_Bond_Stereo_Count	0
71151	Undefined_Atom_Stereo_Count	2
62705860	Exact_Mass	425.12119258
410914	Exact_Mass	400.17466988
32681	Total_Formal_Charge	0
6426924	Exact_Mass	913.51875607
798232	Hydrogen_Bond_Acceptor_Count	3
17963208	Non-hydrogen_Atom_Count	34
92044408	Mono_Isotopic_Weight	1525.3899216
3424	Defined_Atom_Stereo_Count	0
517063	Isotope_Atom_Count	0
17458	Molecular_Weight	386.4
90057933	Total_Formal_Charge	0
9862272	Non-hydrogen_Atom_Count	23
122172547	Non-hydrogen_Atom_Count	85
58230405	TPSA	151
70588255	Covalent_Unit_Count	1
1615208	TPSA	70.1
13521	Defined_Atom_Stereo_Count	0
47866	Molecular_Weight	166.18
13072114	Undefined_Atom_Stereo_Count	1
3939	Total_Formal_Charge	0
1923	Rotatable_Bond_Count	0
135487863	Defined_Bond_Stereo_Count	1
639970	Isotope_Atom_Count	0
243	Structure_Complexity	104
14017	Covalent_Unit_Count	1
18954381	Undefined_Bond_Stereo_Count	0
44590445	Undefined_Bond_Stereo_Count	0
130866606	Structure_Complexity	131
129870262	Hydrogen_Bond_Acceptor_Count	2
12295224	Hydrogen_Bond_Donor_Count	1
154112533	Defined_Atom_Stereo_Count	0
398593	Undefined_Atom_Stereo_Count	0
24900751	Non-hydrogen_Atom_Count	35
20100130	Non-hydrogen_Atom_Count	18
440728	Molecular_Weight	147.13
6420130	Isotope_Atom_Count	0
2581	Undefined_Bond_Stereo_Count	0
57992039	Covalent_Unit_Count	1
73030065	Covalent_Unit_Count	2
918436	Hydrogen_Bond_Donor_Count	0
20392	Isotope_Atom_Count	0
3132	Defined_Atom_Stereo_Count	0
22812625	Hydrogen_Bond_Donor_Count	4
4468	XLogP3-AA	0.8
69550	Exact_Mass	238.07020481
24027	XLogP3-AA	4.6
20894	Mono_Isotopic_Weight	157.13274550
14079973	Hydrogen_Bond_Acceptor_Count	3
8089	Rotatable_Bond_Count	21
18801784	Isotope_Atom_Count	0
73049652	Molecular_Weight	957.9
13584912	Hydrogen_Bond_Donor_Count	0
16050641	Hydrogen_Bond_Acceptor_Count	4
72155	Exact_Mass	307.1451400
524766	Molecular_Weight	95.14
119097556	Undefined_Bond_Stereo_Count	0
287071	Undefined_Bond_Stereo_Count	0
73648	Defined_Bond_Stereo_Count	0
44123551	Hydrogen_Bond_Donor_Count	2
6259976	TPSA	26.3
135408511	Mono_Isotopic_Weight	323.199762429
72200863	Defined_Atom_Stereo_Count	4
87535084	Molecular_Weight	114.14
681950	Molecular_Weight	257.33
4051	Structure_Complexity	634
32802	Covalent_Unit_Count	1
32681	Defined_Atom_Stereo_Count	6
11029762	Exact_Mass	88.052429494
65775	Hydrogen_Bond_Donor_Count	0
4642	Mono_Isotopic_Weight	344.20999276
3792939	Structure_Complexity	0
164610	Mono_Isotopic_Weight	262.074227566
23034	Non-hydrogen_Atom_Count	32
78236	Non-hydrogen_Atom_Count	10
439201	Total_Formal_Charge	0
12011	Structure_Complexity	235
6914152	Molecular_Weight	448.4
91556	Defined_Atom_Stereo_Count	0
3613359	Mono_Isotopic_Weight	72.081324323
60155274	Defined_Atom_Stereo_Count	1
9823302	Isotope_Atom_Count	0
54675757	Undefined_Atom_Stereo_Count	0
59401	Hydrogen_Bond_Acceptor_Count	4
265	Mono_Isotopic_Weight	837.15707506
9952	Isotope_Atom_Count	0
70255	Rotatable_Bond_Count	0
136892	TPSA	38.3
704232	Defined_Atom_Stereo_Count	0
28693	Undefined_Atom_Stereo_Count	0
29629	Mono_Isotopic_Weight	160.109944368
89335	Non-hydrogen_Atom_Count	14
155893809	Covalent_Unit_Count	1
19083150	TPSA	17.8
11310242	XLogP3-AA	5.4
23552425	TPSA	41.1
45263503	TPSA	64.6
11779786	Molecular_Weight	304.29
43215	Isotope_Atom_Count	0
11550004	Defined_Atom_Stereo_Count	0
69332464	Molecular_Weight	112.13
67108485	Exact_Mass	99.068413911
133886	Defined_Bond_Stereo_Count	0
53932534	Hydrogen_Bond_Donor_Count	1
25403	Defined_Atom_Stereo_Count	0
164167667	Total_Formal_Charge	0
45878	Rotatable_Bond_Count	4
13388323	Exact_Mass	112.03851076
6168	Defined_Bond_Stereo_Count	0
73619	Structure_Complexity	1140
23087774	Structure_Complexity	99.1
138756126	Undefined_Atom_Stereo_Count	6
861	Undefined_Atom_Stereo_Count	1
20306902	Covalent_Unit_Count	1
5288672	Exact_Mass	359.1036691
5765	TPSA	37.3
152257	Exact_Mass	201.151749610
9884833	Tautomer_Count	2
11693521	Covalent_Unit_Count	1
5318156	Mono_Isotopic_Weight	534.17372639
9347	Hydrogen_Bond_Acceptor_Count	4
2898	Hydrogen_Bond_Acceptor_Count	4
202225	Molecular_Weight	814.0
6178111	Non-hydrogen_Atom_Count	17
135554441	Total_Formal_Charge	0
637932	Hydrogen_Bond_Donor_Count	0
89811	Exact_Mass	107.073499291
239041	Isotope_Atom_Count	0
53825954	Exact_Mass	446.26683893
4659392	Structure_Complexity	426
643189	Hydrogen_Bond_Acceptor_Count	1
13532837	Isotope_Atom_Count	0
21893333	Exact_Mass	109.052763847
90937445	TPSA	240
12463	Rotatable_Bond_Count	0
87754	Molecular_Weight	215.04
824609	Mono_Isotopic_Weight	312.0777887
129533	Rotatable_Bond_Count	3
2518	Covalent_Unit_Count	1
572565	Total_Formal_Charge	0
751341	Molecular_Weight	301.29
37616	Structure_Complexity	320
24867561	Defined_Atom_Stereo_Count	3
6438129	Undefined_Atom_Stereo_Count	1
57681561	Undefined_Atom_Stereo_Count	0
22866	Defined_Bond_Stereo_Count	0
44137686	Covalent_Unit_Count	1
5001396	Hydrogen_Bond_Donor_Count	0
668263	Undefined_Bond_Stereo_Count	0
54144952	Structure_Complexity	119
6365145	Tautomer_Count	6
53940807	Hydrogen_Bond_Acceptor_Count	0
76035516	Covalent_Unit_Count	1
135992838	Undefined_Bond_Stereo_Count	0
71433469	Hydrogen_Bond_Acceptor_Count	2
93227	Undefined_Bond_Stereo_Count	0
90078	Tautomer_Count	3
163050676	Rotatable_Bond_Count	0
79577129	Non-hydrogen_Atom_Count	8
14812	Exact_Mass	283.84419418
146049044	Structure_Complexity	96.3
182951	TPSA	62.6
13379559	Defined_Atom_Stereo_Count	0
3081361	Exact_Mass	474.10667
8154	TPSA	0
123417941	Exact_Mass	102.079312947
165971	TPSA	3
16050834	Hydrogen_Bond_Donor_Count	1
23677974	Hydrogen_Bond_Donor_Count	3
31272	XLogP3	1.8
122073	Hydrogen_Bond_Acceptor_Count	9
3788	Undefined_Bond_Stereo_Count	1
44310852	TPSA	64.1
11170934	Molecular_Weight	108.14
3570	XLogP3-AA	3.9
5367417	Molecular_Weight	80.13
54420681	Mono_Isotopic_Weight	116.083729621
12562	Structure_Complexity	274
153664867	Total_Formal_Charge	0
522446	Hydrogen_Bond_Acceptor_Count	1
90532	Undefined_Bond_Stereo_Count	0
163872483	Undefined_Bond_Stereo_Count	0
44407551	Covalent_Unit_Count	1
519834	Undefined_Bond_Stereo_Count	0
2325	XLogP3-AA	3.4
12036651	Undefined_Atom_Stereo_Count	0
54192233	XLogP3-AA	1.4
89578867	Exact_Mass	310.204513457
5284359	Hydrogen_Bond_Acceptor_Count	2
55298701	Total_Formal_Charge	0
71057888	Defined_Atom_Stereo_Count	11
945090	Covalent_Unit_Count	1
65492	Mono_Isotopic_Weight	776.8541
4019563	Molecular_Weight	420.4
11122452	Defined_Bond_Stereo_Count	0
2852	Structure_Complexity	948
736500	Mono_Isotopic_Weight	162.01393598
51935	Defined_Atom_Stereo_Count	0
55973	Rotatable_Bond_Count	0
82058	Total_Formal_Charge	0
2752588	Defined_Bond_Stereo_Count	0
25246317	Exact_Mass	1092.64306214
91696	Total_Formal_Charge	0
57185798	Isotope_Atom_Count	0
24901348	Non-hydrogen_Atom_Count	35
22020033	XLogP3-AA	0.6
108227	Hydrogen_Bond_Donor_Count	2
65708	Hydrogen_Bond_Donor_Count	2
541623	Defined_Atom_Stereo_Count	0
676399	Rotatable_Bond_Count	5
53709010	Mono_Isotopic_Weight	188.11609238
4141522	Molecular_Weight	169.20
6437356	Undefined_Atom_Stereo_Count	1
16212687	Defined_Atom_Stereo_Count	2
124204086	Defined_Bond_Stereo_Count	0
21984	Rotatable_Bond_Count	7
9895247	Defined_Bond_Stereo_Count	0
136254592	Covalent_Unit_Count	1
54761	Rotatable_Bond_Count	9
639661	Non-hydrogen_Atom_Count	6
87438806	Defined_Atom_Stereo_Count	0
137170	Exact_Mass	122.073164938
49091	Defined_Atom_Stereo_Count	0
137572	Covalent_Unit_Count	1
43704	TPSA	98.4
5071	Undefined_Atom_Stereo_Count	1
8269	Total_Formal_Charge	0
16743818	Hydrogen_Bond_Acceptor_Count	2
10027278	XLogP3-AA	5.2
22475	Structure_Complexity	284
20141875	Non-hydrogen_Atom_Count	7
2795115	Hydrogen_Bond_Acceptor_Count	2
60478	Defined_Atom_Stereo_Count	0
686807	Isotope_Atom_Count	0
67248938	Total_Formal_Charge	0
56682314	Exact_Mass	422.12127520
5152771	Exact_Mass	113.084063974
19040543	Defined_Bond_Stereo_Count	0
21584701	XLogP3-AA	3
34936	Mono_Isotopic_Weight	209.09127461
129674188	TPSA	68.4
589287	Defined_Atom_Stereo_Count	0
57394598	Structure_Complexity	705
139583540	TPSA	140
14761567	Hydrogen_Bond_Acceptor_Count	4
292184	Molecular_Weight	164.01
14895	Exact_Mass	430.02530576
3401849	Exact_Mass	123.03539970
85518914	Exact_Mass	112.052429494
24848920	Exact_Mass	303.19467705
12669677	Non-hydrogen_Atom_Count	24
147246033	Defined_Atom_Stereo_Count	0
68093	Structure_Complexity	324
54545143	Hydrogen_Bond_Acceptor_Count	1
26250	Undefined_Atom_Stereo_Count	0
53906657	Exact_Mass	100.052429494
1878	Structure_Complexity	666
31762	Rotatable_Bond_Count	1
718618	Hydrogen_Bond_Acceptor_Count	4
854150	Undefined_Atom_Stereo_Count	0
96402	Molecular_Weight	279.2
72775170	Hydrogen_Bond_Acceptor_Count	2
566	TPSA	37.3
3083585	Mono_Isotopic_Weight	176.047344113
521759	Molecular_Weight	96.17
146396	Isotope_Atom_Count	0
137602	Hydrogen_Bond_Acceptor_Count	0
72200848	Hydrogen_Bond_Acceptor_Count	7
2763134	Structure_Complexity	90.5
60196262	Mono_Isotopic_Weight	1266.73295702
31246	Defined_Atom_Stereo_Count	0
5242420	TPSA	56.1
126843179	Hydrogen_Bond_Donor_Count	4
44521018	Structure_Complexity	427
68958	Covalent_Unit_Count	1
17460	Undefined_Bond_Stereo_Count	0
440274	Hydrogen_Bond_Acceptor_Count	4
64212	Rotatable_Bond_Count	3
1211	Defined_Bond_Stereo_Count	0
86398	Total_Formal_Charge	0
22563	Structure_Complexity	142
69347719	TPSA	53
59557415	Non-hydrogen_Atom_Count	8
15450	Total_Formal_Charge	0
35023	Molecular_Weight	246.27
846962	Isotope_Atom_Count	0
693318	Undefined_Bond_Stereo_Count	0
66908038	Defined_Atom_Stereo_Count	0
19891145	Hydrogen_Bond_Acceptor_Count	3
91694113	Molecular_Weight	242.31
184900	Total_Formal_Charge	0
12364	Mono_Isotopic_Weight	144.089877630
123249588	Mono_Isotopic_Weight	416.32904526
44758	Hydrogen_Bond_Donor_Count	2
15981450	Hydrogen_Bond_Donor_Count	2
122173791	TPSA	67.2
145706202	Non-hydrogen_Atom_Count	33
133059	Covalent_Unit_Count	2
46964	Non-hydrogen_Atom_Count	16
12905357	Structure_Complexity	861
13438401	Exact_Mass	112.052429494
44359653	Defined_Atom_Stereo_Count	9
908617	Defined_Bond_Stereo_Count	0
10350481	Non-hydrogen_Atom_Count	58
12207122	Hydrogen_Bond_Donor_Count	1
84731066	Total_Formal_Charge	0
53737226	Non-hydrogen_Atom_Count	7
15551468	Mono_Isotopic_Weight	849.338408
71222	Hydrogen_Bond_Acceptor_Count	6
5327159	XLogP3-AA	3.3
176505	Undefined_Atom_Stereo_Count	2
65327	Covalent_Unit_Count	2
14782	Total_Formal_Charge	0
118855910	Defined_Bond_Stereo_Count	0
6022	Structure_Complexity	638
46839993	Tautomer_Count	1
29566	Hydrogen_Bond_Donor_Count	2
10761	Rotatable_Bond_Count	6
56955068	Defined_Bond_Stereo_Count	0
9983292	Isotope_Atom_Count	0
2512	Hydrogen_Bond_Acceptor_Count	4
70339927	Exact_Mass	84.068748264
2714	Hydrogen_Bond_Donor_Count	0
86595083	Isotope_Atom_Count	0
55286536	Mono_Isotopic_Weight	113.058911855
89351	Non-hydrogen_Atom_Count	16
13844108	Isotope_Atom_Count	0
6332110	Defined_Atom_Stereo_Count	0
5459765	Isotope_Atom_Count	0
83669186	Non-hydrogen_Atom_Count	8
460516	Hydrogen_Bond_Acceptor_Count	7
33645	Tautomer_Count	1
134694008	Defined_Bond_Stereo_Count	0
71	Non-hydrogen_Atom_Count	11
18941761	Molecular_Weight	96.13
68028	Undefined_Atom_Stereo_Count	0
409409	Defined_Bond_Stereo_Count	0
5558	Covalent_Unit_Count	1
12291440	Undefined_Bond_Stereo_Count	0
90409366	Defined_Atom_Stereo_Count	1
9796154	Exact_Mass	294.19434270
8222	Exact_Mass	282.328651340
90961655	Non-hydrogen_Atom_Count	7
183789	Total_Formal_Charge	0
10113	Isotope_Atom_Count	0
17898	Undefined_Atom_Stereo_Count	0
19979685	Non-hydrogen_Atom_Count	8
12387212	Defined_Bond_Stereo_Count	0
7555	Defined_Bond_Stereo_Count	0
67409219	Defined_Bond_Stereo_Count	0
580481	Non-hydrogen_Atom_Count	15
25015463	Structure_Complexity	801
13521831	Exact_Mass	99.068413911
21987892	Hydrogen_Bond_Donor_Count	0
2453568	Defined_Bond_Stereo_Count	0
34231	XLogP3-AA	2.3
67361	Hydrogen_Bond_Acceptor_Count	3
18376592	Hydrogen_Bond_Donor_Count	2
9590	Non-hydrogen_Atom_Count	10
1261	Molecular_Weight	327.1
19935256	Isotope_Atom_Count	0
57583195	Mono_Isotopic_Weight	101.084063974
140719461	Rotatable_Bond_Count	0
7375	Hydrogen_Bond_Donor_Count	1
17745	Total_Formal_Charge	0
823887	Non-hydrogen_Atom_Count	20
11274356	Tautomer_Count	9
21161643	Defined_Bond_Stereo_Count	0
5814	Rotatable_Bond_Count	2
80152	XLogP3	3.2
143378061	TPSA	44.2
12480891	Structure_Complexity	91.2
13285795	Total_Formal_Charge	0
54753	TPSA	32.3
9808	Isotope_Atom_Count	0
16054	Covalent_Unit_Count	1
6452127	Defined_Atom_Stereo_Count	4
18469536	TPSA	177
2963	Rotatable_Bond_Count	1
46174453	Mono_Isotopic_Weight	301.0782389
8085	Defined_Bond_Stereo_Count	0
53987564	Hydrogen_Bond_Donor_Count	2
130013569	Total_Formal_Charge	0
78566	Isotope_Atom_Count	0
5746387	Defined_Bond_Stereo_Count	0
1752534	Rotatable_Bond_Count	3
5351197	Undefined_Bond_Stereo_Count	0
11073371	Undefined_Bond_Stereo_Count	0
448503	Hydrogen_Bond_Acceptor_Count	1
694648	XLogP3-AA	3.6
22081149	Molecular_Weight	94.11
542567	Molecular_Weight	181.15
265652	Exact_Mass	106.00885060
99	TPSA	389
13076	Non-hydrogen_Atom_Count	16
13073879	Undefined_Atom_Stereo_Count	0
157690	Exact_Mass	540.13779329
22004078	TPSA	38.4
9862937	Defined_Atom_Stereo_Count	0
144513	Isotope_Atom_Count	0
25380	Hydrogen_Bond_Donor_Count	0
22379495	Molecular_Weight	101.15
41245	Mono_Isotopic_Weight	318.230728204
91514136	Structure_Complexity	86.1
135413528	Undefined_Atom_Stereo_Count	0
57740148	Defined_Atom_Stereo_Count	0
86399	Non-hydrogen_Atom_Count	14
9576885	Covalent_Unit_Count	1
19067730	Structure_Complexity	94
10899521	Mono_Isotopic_Weight	194.130679813
72064	XLogP3-AA	3.5
135436542	Total_Formal_Charge	0
21723655	TPSA	20.2
268488	Hydrogen_Bond_Donor_Count	3
102106219	Hydrogen_Bond_Acceptor_Count	4
100156	Isotope_Atom_Count	0
65099	Rotatable_Bond_Count	1
49864603	Mono_Isotopic_Weight	374.1309671
45345	Covalent_Unit_Count	1
96420	Exact_Mass	165.090211983
163727	Mono_Isotopic_Weight	235.0279174
12705074	Rotatable_Bond_Count	2
36829	Exact_Mass	169.956028
14852098	Rotatable_Bond_Count	2
840260	Structure_Complexity	400
9887712	Covalent_Unit_Count	1
734373	TPSA	96.2
96356	Exact_Mass	219.9935200
317679	Covalent_Unit_Count	1
15736732	Hydrogen_Bond_Acceptor_Count	4
18620262	Defined_Bond_Stereo_Count	0
182139	Structure_Complexity	89.1
23574562	Isotope_Atom_Count	0
40998	Rotatable_Bond_Count	13
9837419	Hydrogen_Bond_Acceptor_Count	0
11215	Hydrogen_Bond_Acceptor_Count	0
66747531	TPSA	38.1
22834577	Molecular_Weight	3464.0
16721	XLogP3	2.3
5357580	Defined_Bond_Stereo_Count	2
24728635	Hydrogen_Bond_Donor_Count	1
24892775	Defined_Atom_Stereo_Count	6
34192	Rotatable_Bond_Count	5
1801	XLogP3	0.8
11263485	TPSA	3.2
1570	Exact_Mass	127.00918496
803	Isotope_Atom_Count	0
134692058	Covalent_Unit_Count	1
11395145	Tautomer_Count	1
138663	Covalent_Unit_Count	1
14129	Undefined_Atom_Stereo_Count	0
22385729	Defined_Bond_Stereo_Count	0
785	Defined_Bond_Stereo_Count	0
60196294	Undefined_Atom_Stereo_Count	2
10221470	Molecular_Weight	284.35
54602348	Undefined_Atom_Stereo_Count	0
139079243	Rotatable_Bond_Count	2
62669683	Undefined_Atom_Stereo_Count	0
129676328	Rotatable_Bond_Count	0
101348253	Undefined_Bond_Stereo_Count	0
71334656	Structure_Complexity	156
12103	Non-hydrogen_Atom_Count	9
13651	TPSA	12.9
68845	Isotope_Atom_Count	0
123804812	Hydrogen_Bond_Donor_Count	0
70381	Tautomer_Count	2
11161534	Covalent_Unit_Count	1
4198	Hydrogen_Bond_Acceptor_Count	4
70694392	Mono_Isotopic_Weight	329.09241742
67548	Isotope_Atom_Count	0
53477948	Mono_Isotopic_Weight	510.42842495
87833	Total_Formal_Charge	0
6742	Defined_Atom_Stereo_Count	9
11182575	Non-hydrogen_Atom_Count	7
2223	Undefined_Atom_Stereo_Count	1
6643	Exact_Mass	164.120115130
44276024	TPSA	55.3
6016	TPSA	28.5
102967	Defined_Atom_Stereo_Count	0
12383661	Defined_Atom_Stereo_Count	0
129027658	Structure_Complexity	103
76451	Isotope_Atom_Count	0
91895876	Non-hydrogen_Atom_Count	31
12209629	Exact_Mass	127.099714038
499988	Non-hydrogen_Atom_Count	30
132575067	Isotope_Atom_Count	0
54681902	Covalent_Unit_Count	1
16139605	Defined_Atom_Stereo_Count	38
98175	TPSA	27.7
714937	Defined_Atom_Stereo_Count	0
119196	Tautomer_Count	81
82658	Molecular_Weight	140.18
5284469	Total_Formal_Charge	0
135921134	Structure_Complexity	1620
6379	Rotatable_Bond_Count	0
213039	Exact_Mass	547.23522170
11969542	TPSA	85.4
136253316	TPSA	190
92427	Rotatable_Bond_Count	0
156465	Tautomer_Count	423
8138	XLogP3	4.2
441199	XLogP3	0
224001	Rotatable_Bond_Count	2
16217238	Hydrogen_Bond_Acceptor_Count	3
35654	Defined_Bond_Stereo_Count	0
69347980	Exact_Mass	476.1633482
76860	Undefined_Bond_Stereo_Count	0
521947	Hydrogen_Bond_Donor_Count	0
5353830	Hydrogen_Bond_Donor_Count	1
56945145	Undefined_Atom_Stereo_Count	1
3055168	Tautomer_Count	5
13710569	Molecular_Weight	80.13
10931371	Mono_Isotopic_Weight	97.089149355
130285	Undefined_Bond_Stereo_Count	0
572852	Hydrogen_Bond_Donor_Count	1
1098	Non-hydrogen_Atom_Count	62
85570	Tautomer_Count	1
54676539	Structure_Complexity	1040
118023034	Total_Formal_Charge	0
18349198	Covalent_Unit_Count	1
24901657	TPSA	134
66783827	Defined_Bond_Stereo_Count	0
53275765	Hydrogen_Bond_Acceptor_Count	1
12407016	Non-hydrogen_Atom_Count	8
82538	Total_Formal_Charge	0
10062737	Total_Formal_Charge	0
21542775	TPSA	45.7
2724552	Defined_Bond_Stereo_Count	0
20388	Mono_Isotopic_Weight	531.85339
12225304	Undefined_Bond_Stereo_Count	0
87703	TPSA	61.8
6420038	Undefined_Atom_Stereo_Count	0
11712649	Non-hydrogen_Atom_Count	34
56841980	Molecular_Weight	744.7
34636	Tautomer_Count	1
331501	Exact_Mass	112.063662883
6426924	Non-hydrogen_Atom_Count	65
93321	Isotope_Atom_Count	0
9925	Tautomer_Count	2
54475034	XLogP3-AA	0.1
285366	Total_Formal_Charge	0
65171	Exact_Mass	247.123523487
19830271	Defined_Atom_Stereo_Count	0
24946104	Defined_Bond_Stereo_Count	0
24748573	Molecular_Weight	349.8
6018	Mono_Isotopic_Weight	317.19909372
4273	TPSA	86.1
130128864	Covalent_Unit_Count	1
6621	Undefined_Atom_Stereo_Count	0
4748	XLogP3	4.2
76960246	Structure_Complexity	367
18378694	Total_Formal_Charge	0
52942478	Hydrogen_Bond_Acceptor_Count	6
24196	Covalent_Unit_Count	1
154152828	Covalent_Unit_Count	1
71081	Hydrogen_Bond_Donor_Count	0
2775103	Mono_Isotopic_Weight	222.01399312
36688115	Isotope_Atom_Count	0
14107712	Undefined_Bond_Stereo_Count	0
6461	TPSA	46.5
11065	Undefined_Atom_Stereo_Count	0
5378597	Undefined_Bond_Stereo_Count	0
6999030	TPSA	124
60574	Rotatable_Bond_Count	5
46174453	Undefined_Atom_Stereo_Count	0
498459	Undefined_Bond_Stereo_Count	0
87215	Molecular_Weight	400.5
5360970	TPSA	58.9
4838	Tautomer_Count	1
6919026	Defined_Atom_Stereo_Count	1
6433415	Defined_Bond_Stereo_Count	1
100094	Total_Formal_Charge	0
148184	Hydrogen_Bond_Acceptor_Count	3
8034	Tautomer_Count	3
194674	Hydrogen_Bond_Acceptor_Count	4
2734227	Total_Formal_Charge	0
69216	Molecular_Weight	114.10
99271	Total_Formal_Charge	0
273577	Structure_Complexity	272
46205408	TPSA	199
2064111	Molecular_Weight	106.13
138323	Rotatable_Bond_Count	2
225564	Hydrogen_Bond_Acceptor_Count	1
115140	Non-hydrogen_Atom_Count	21
9570985	Molecular_Weight	598.6
6367	Total_Formal_Charge	0
12688	Covalent_Unit_Count	1
73285	Defined_Atom_Stereo_Count	4
60196345	Hydrogen_Bond_Acceptor_Count	6
59827440	Structure_Complexity	403
23381756	XLogP3-AA	0.7
71384	Exact_Mass	268.11715500
154516221	Hydrogen_Bond_Acceptor_Count	0
68013637	Hydrogen_Bond_Donor_Count	8
92155	Molecular_Weight	410.7
97035	Structure_Complexity	270
446067	Defined_Atom_Stereo_Count	0
49867704	Structure_Complexity	163
68705	Hydrogen_Bond_Donor_Count	1
12336305	Rotatable_Bond_Count	0
21822	Total_Formal_Charge	0
5282948	Undefined_Bond_Stereo_Count	0
2167092	Tautomer_Count	1
138005	Total_Formal_Charge	0
9816506	Exact_Mass	255.11201006
56972198	Mono_Isotopic_Weight	282.0690539
9828310	Rotatable_Bond_Count	19
118855925	Defined_Atom_Stereo_Count	4
521076	Exact_Mass	100.088815002
13250	Total_Formal_Charge	0
159199	Non-hydrogen_Atom_Count	9
447342	Molecular_Weight	499.6
522636	Non-hydrogen_Atom_Count	25
129980649	Hydrogen_Bond_Acceptor_Count	2
85573191	Hydrogen_Bond_Acceptor_Count	2
11073219	XLogP3-AA	26.4
10077147	Defined_Bond_Stereo_Count	0
33251	Covalent_Unit_Count	1
6604472	Undefined_Bond_Stereo_Count	0
7749	Molecular_Weight	102.13
25683	Covalent_Unit_Count	1
12333	Defined_Atom_Stereo_Count	0
13007516	Rotatable_Bond_Count	1
15174589	Defined_Bond_Stereo_Count	0
23653	XLogP3-AA	0.9
13331	Structure_Complexity	410
80971	Hydrogen_Bond_Acceptor_Count	3
12394645	Hydrogen_Bond_Acceptor_Count	1
227244	Rotatable_Bond_Count	0
118121642	Molecular_Weight	110.11
100957861	Covalent_Unit_Count	1
19017960	Hydrogen_Bond_Acceptor_Count	1
123494194	Total_Formal_Charge	0
3849	Isotope_Atom_Count	0
6440178	Rotatable_Bond_Count	4
57280	TPSA	37.6
1413	Mono_Isotopic_Weight	320.23514488
23724801	Mono_Isotopic_Weight	375.1601214
66099	Tautomer_Count	10
3425	Isotope_Atom_Count	0
12293	Hydrogen_Bond_Acceptor_Count	2
6438028	Non-hydrogen_Atom_Count	28
13848132	Undefined_Bond_Stereo_Count	0
91169276	XLogP3-AA	0.1
442461	Covalent_Unit_Count	1
9961	Tautomer_Count	1
1476679	Rotatable_Bond_Count	4
648	Hydrogen_Bond_Donor_Count	3
57349445	Isotope_Atom_Count	0
12672856	Defined_Atom_Stereo_Count	0
7495	Defined_Bond_Stereo_Count	0
57607	Defined_Bond_Stereo_Count	0
15789	Undefined_Bond_Stereo_Count	0
60961	Defined_Bond_Stereo_Count	0
69990	Covalent_Unit_Count	1
12096	Total_Formal_Charge	0
71380	TPSA	0
9552077	Molecular_Weight	211.95
70693265	TPSA	89.2
16211333	Isotope_Atom_Count	0
7852	Exact_Mass	59.073499291
155903755	Non-hydrogen_Atom_Count	128
21953621	Structure_Complexity	358
87293	Molecular_Weight	193.24
4343483	Molecular_Weight	109.80
23010495	Mono_Isotopic_Weight	284.16237386
143686076	Molecular_Weight	97.16
71451733	Mono_Isotopic_Weight	372.19615422
460129	Mono_Isotopic_Weight	173.04365571
72200037	Covalent_Unit_Count	1
101100163	Non-hydrogen_Atom_Count	18
31721	Undefined_Bond_Stereo_Count	0
15070	XLogP3	0.2
88180	Isotope_Atom_Count	0
31217	Defined_Bond_Stereo_Count	0
67739711	Exact_Mass	648.36755603
572717	XLogP3-AA	1.8
139085145	Covalent_Unit_Count	1
11446308	Exact_Mass	117.053826475
9889867	Isotope_Atom_Count	0
3082780	Hydrogen_Bond_Acceptor_Count	2
5236	Rotatable_Bond_Count	0
99025	XLogP3-AA	2.9
21677759	Exact_Mass	302.13923312
55119	Hydrogen_Bond_Acceptor_Count	1
11378723	Hydrogen_Bond_Donor_Count	0
25181577	Undefined_Atom_Stereo_Count	0
55285315	Exact_Mass	125.07014524
46936821	TPSA	228
101584	Non-hydrogen_Atom_Count	30
54151808	Total_Formal_Charge	0
106824195	Undefined_Bond_Stereo_Count	0
22349217	Structure_Complexity	110
65651	Rotatable_Bond_Count	4
3032279	Undefined_Bond_Stereo_Count	0
68727	Hydrogen_Bond_Acceptor_Count	2
5488548	Hydrogen_Bond_Donor_Count	3
78847	Non-hydrogen_Atom_Count	11
88266	Hydrogen_Bond_Donor_Count	1
20553	Structure_Complexity	70.9
139906410	Covalent_Unit_Count	1
93115	XLogP3-AA	12.8
11208	TPSA	12.5
11600783	Non-hydrogen_Atom_Count	12
156592059	Total_Formal_Charge	0
12385064	Undefined_Bond_Stereo_Count	0
71743843	Structure_Complexity	136
60769	Structure_Complexity	512
56955186	Hydrogen_Bond_Acceptor_Count	3
7499	Rotatable_Bond_Count	1
694358	Undefined_Bond_Stereo_Count	1
69089	Total_Formal_Charge	0
6436541	Hydrogen_Bond_Acceptor_Count	4
6828	Undefined_Atom_Stereo_Count	0
6436158	Hydrogen_Bond_Donor_Count	3
102484	Total_Formal_Charge	0
17541	Hydrogen_Bond_Donor_Count	0
10021362	Defined_Atom_Stereo_Count	2
80165	Isotope_Atom_Count	0
5464562	Rotatable_Bond_Count	10
24905142	Tautomer_Count	24
10685477	Exact_Mass	298.12050905
9862176	Structure_Complexity	335
54076653	Structure_Complexity	111
33671	Molecular_Weight	251.28
14297260	Undefined_Bond_Stereo_Count	0
7594067	Mono_Isotopic_Weight	343.10243389
68503	Mono_Isotopic_Weight	183.98876
15216102	TPSA	49.3
9895	Isotope_Atom_Count	0
636377	Structure_Complexity	780
6552009	Hydrogen_Bond_Donor_Count	1
10021783	Isotope_Atom_Count	0
6337614	Non-hydrogen_Atom_Count	22
129866430	Hydrogen_Bond_Acceptor_Count	0
5148108	Rotatable_Bond_Count	9
517055	Mono_Isotopic_Weight	144.01872368
154474735	Hydrogen_Bond_Donor_Count	0
9469	Hydrogen_Bond_Acceptor_Count	3
1238	Isotope_Atom_Count	0
54475	Undefined_Bond_Stereo_Count	0
2723866	Structure_Complexity	155
5367588	Hydrogen_Bond_Acceptor_Count	0
46936357	Hydrogen_Bond_Donor_Count	2
68535	TPSA	37.3
736351	Non-hydrogen_Atom_Count	17
13561474	Hydrogen_Bond_Donor_Count	1
60196362	Molecular_Weight	531.6
57035514	Rotatable_Bond_Count	1
47118	TPSA	0
11926	Total_Formal_Charge	0
77674	Mono_Isotopic_Weight	163.927511
11286443	Exact_Mass	100.063662883
5354043	XLogP3	5.7
71145	Defined_Bond_Stereo_Count	0
62856	Undefined_Bond_Stereo_Count	0
12302651	Total_Formal_Charge	0
68120	Defined_Atom_Stereo_Count	0
5388957	Undefined_Atom_Stereo_Count	0
1341	Mono_Isotopic_Weight	378.24062418
76459	XLogP3	4.2
34636	Molecular_Weight	442.4
138107735	Defined_Bond_Stereo_Count	0
11073371	Undefined_Atom_Stereo_Count	0
114840	Structure_Complexity	317
10760	Tautomer_Count	2
48491	Total_Formal_Charge	1
148195	Hydrogen_Bond_Donor_Count	1
342238	Isotope_Atom_Count	0
178024	XLogP3-AA	1.3
165870	Hydrogen_Bond_Acceptor_Count	3
160368576	Hydrogen_Bond_Donor_Count	1
364849	Total_Formal_Charge	0
92764	TPSA	0
54081	Hydrogen_Bond_Acceptor_Count	3
121207552	TPSA	20.2
4627783	Structure_Complexity	84.4
53931	Molecular_Weight	277.19
164330	Exact_Mass	1397.576390
40666	Tautomer_Count	1
71584542	TPSA	89
75879	Molecular_Weight	356.4
91693	Defined_Atom_Stereo_Count	0
825229	Covalent_Unit_Count	1
16732312	Molecular_Weight	454.9
102481651	TPSA	9.2
5355858	Mono_Isotopic_Weight	284.177630004
317543	Hydrogen_Bond_Donor_Count	1
20553328	Molecular_Weight	103.15
688009	Defined_Atom_Stereo_Count	2
11908488	Defined_Atom_Stereo_Count	10
125889	Undefined_Atom_Stereo_Count	0
408714	XLogP3-AA	0.3
16759596	Isotope_Atom_Count	0
60794	Structure_Complexity	1470
862	Exact_Mass	1404.85396239
9984487	Total_Formal_Charge	0
177336	Defined_Bond_Stereo_Count	0
281	Structure_Complexity	10
160554	Non-hydrogen_Atom_Count	13
821327	Undefined_Atom_Stereo_Count	0
4944	TPSA	47.6
5293	Undefined_Atom_Stereo_Count	4
78145	Hydrogen_Bond_Acceptor_Count	3
602261	Rotatable_Bond_Count	5
62852	Isotope_Atom_Count	0
86821	Undefined_Bond_Stereo_Count	0
135565082	Undefined_Bond_Stereo_Count	0
487856	Undefined_Bond_Stereo_Count	0
36688207	TPSA	40.1
70695665	Tautomer_Count	3
54567	Exact_Mass	305.189197746
20521791	Defined_Atom_Stereo_Count	0
46205408	Exact_Mass	599.29551328
123698	TPSA	20.3
66609526	Exact_Mass	110.048012819
19754146	Molecular_Weight	210.23
15627	TPSA	0
5702599	Total_Formal_Charge	0
645691	Defined_Atom_Stereo_Count	0
12313981	Structure_Complexity	870
135013065	Molecular_Weight	115.17
145130580	Exact_Mass	96.057514874
4676	Exact_Mass	339.12527733
854150	XLogP3	3.1
12054557	Total_Formal_Charge	0
12550422	Non-hydrogen_Atom_Count	8
3425	XLogP3-AA	2.2
5030	Exact_Mass	536.39542454
54130	Rotatable_Bond_Count	5
5509	Structure_Complexity	347
8229	Isotope_Atom_Count	0
18377249	Molecular_Weight	111.14
15670683	Undefined_Bond_Stereo_Count	0
15287162	Defined_Atom_Stereo_Count	3
351155	Undefined_Atom_Stereo_Count	0
53364498	Covalent_Unit_Count	1
10191021	Isotope_Atom_Count	0
70267665	Exact_Mass	98.048012819
6700	Isotope_Atom_Count	0
54555	TPSA	29.5
13573327	Non-hydrogen_Atom_Count	8
12295224	Non-hydrogen_Atom_Count	8
98790	Hydrogen_Bond_Acceptor_Count	1
102	Molecular_Weight	124.14
14985	Structure_Complexity	503
13810	Covalent_Unit_Count	2
11389359	Rotatable_Bond_Count	1
69027241	Mono_Isotopic_Weight	95.037113783
446925	Isotope_Atom_Count	0
109094	Undefined_Atom_Stereo_Count	0
160458	Undefined_Bond_Stereo_Count	0
6918537	Mono_Isotopic_Weight	303.19467705
3036656	Rotatable_Bond_Count	7
78538	Defined_Atom_Stereo_Count	0
56841653	Defined_Bond_Stereo_Count	0
23128	Structure_Complexity	115
85891258	Defined_Bond_Stereo_Count	0
31251	Tautomer_Count	1
77328	Undefined_Bond_Stereo_Count	0
24083	Total_Formal_Charge	0
18430414	Covalent_Unit_Count	1
83797	Tautomer_Count	5
1810216	Hydrogen_Bond_Acceptor_Count	3
490	Rotatable_Bond_Count	2
6367080	Exact_Mass	406.14366705
6909	Exact_Mass	230.900524
82336	Isotope_Atom_Count	0
9983746	Rotatable_Bond_Count	3
44629654	TPSA	47.9
118388029	Hydrogen_Bond_Donor_Count	0
10449	Tautomer_Count	1
3485	Rotatable_Bond_Count	4
55287853	Structure_Complexity	89.5
6918025	Molecular_Weight	1191.4
10853	Structure_Complexity	130
151085	XLogP3-AA	0.2
2782	Hydrogen_Bond_Donor_Count	0
92685	Mono_Isotopic_Weight	597.97483
91971505	Defined_Atom_Stereo_Count	7
7045767	Defined_Bond_Stereo_Count	0
15038	Structure_Complexity	383
69275	Tautomer_Count	1
23725051	Hydrogen_Bond_Acceptor_Count	2
20653311	Non-hydrogen_Atom_Count	16
2963	Hydrogen_Bond_Acceptor_Count	3
668624	Structure_Complexity	396
10964453	TPSA	12.5
12985	Total_Formal_Charge	0
135436526	Undefined_Bond_Stereo_Count	0
819269	Hydrogen_Bond_Donor_Count	2
10597	Undefined_Bond_Stereo_Count	0
139044268	Hydrogen_Bond_Acceptor_Count	2
74040195	Rotatable_Bond_Count	2
102891	Isotope_Atom_Count	0
9841	Undefined_Atom_Stereo_Count	0
8112	Defined_Atom_Stereo_Count	0
25021359	TPSA	219
130054486	XLogP3-AA	0.6
12394845	Rotatable_Bond_Count	0
70962	Hydrogen_Bond_Acceptor_Count	1
18368760	Rotatable_Bond_Count	2
53763878	Isotope_Atom_Count	0
8304	Mono_Isotopic_Weight	208.12283153
21719953	Undefined_Bond_Stereo_Count	0
80416	Mono_Isotopic_Weight	177.0112047
53393558	Non-hydrogen_Atom_Count	16
409438	Molecular_Weight	166.18
16133899	Molecular_Weight	6094
13001072	Total_Formal_Charge	0
148007841	Undefined_Bond_Stereo_Count	0
49836020	Undefined_Bond_Stereo_Count	0
166089069	Undefined_Atom_Stereo_Count	2
8692	Defined_Bond_Stereo_Count	0
73219	Exact_Mass	234.161979940
91501507	Isotope_Atom_Count	0
11658860	Covalent_Unit_Count	1
78949	Hydrogen_Bond_Donor_Count	1
9973	Defined_Atom_Stereo_Count	0
81110	Non-hydrogen_Atom_Count	12
12014	Undefined_Bond_Stereo_Count	1
144147883	Hydrogen_Bond_Donor_Count	1
165637859	Molecular_Weight	112.13
223441	TPSA	54.5
71115	TPSA	28.5
2826731	Non-hydrogen_Atom_Count	18
10460	Undefined_Atom_Stereo_Count	0
20220682	Rotatable_Bond_Count	4
141295139	XLogP3-AA	0.7
57399438	Structure_Complexity	552
135398641	Non-hydrogen_Atom_Count	19
9828310	Exact_Mass	527.31707780
11648276	TPSA	52.8
538333	Defined_Bond_Stereo_Count	0
53323739	Isotope_Atom_Count	0
14223	Defined_Bond_Stereo_Count	0
39272	Undefined_Bond_Stereo_Count	0
15652148	Defined_Atom_Stereo_Count	0
71301276	Rotatable_Bond_Count	2
10901	Hydrogen_Bond_Donor_Count	1
4489	Structure_Complexity	1230
134694857	Hydrogen_Bond_Acceptor_Count	9
53316418	Exact_Mass	384.99109039
49142	Hydrogen_Bond_Donor_Count	3
54583833	Hydrogen_Bond_Acceptor_Count	4
6328152	Hydrogen_Bond_Donor_Count	1
6097177	Hydrogen_Bond_Acceptor_Count	6
103023	Undefined_Atom_Stereo_Count	3
45480603	Hydrogen_Bond_Donor_Count	3
733076	Molecular_Weight	241.3
419186	Covalent_Unit_Count	1
444037	Exact_Mass	836.52456972
18518868	Hydrogen_Bond_Acceptor_Count	3
147205698	Non-hydrogen_Atom_Count	7
176163	Molecular_Weight	394.5
89206022	Mono_Isotopic_Weight	904.44565070
21670825	TPSA	0
21131860	Undefined_Bond_Stereo_Count	0
31390	Undefined_Atom_Stereo_Count	0
54280	Undefined_Bond_Stereo_Count	0
2794833	Hydrogen_Bond_Acceptor_Count	2
219990	Total_Formal_Charge	0
57505392	Defined_Bond_Stereo_Count	0
88928	Undefined_Bond_Stereo_Count	0
107670	Structure_Complexity	1030
9570071	Hydrogen_Bond_Donor_Count	1
403646	Non-hydrogen_Atom_Count	20
59295969	Rotatable_Bond_Count	10
129629095	Total_Formal_Charge	0
34409	Molecular_Weight	352.3
81729	Defined_Atom_Stereo_Count	0
5464355	Undefined_Bond_Stereo_Count	0
10986159	Hydrogen_Bond_Donor_Count	1
60834	Molecular_Weight	333.9
53999929	Defined_Bond_Stereo_Count	0
3556	Defined_Atom_Stereo_Count	0
439501	Hydrogen_Bond_Donor_Count	8
16654980	Molecular_Weight	410.4
3025961	XLogP3-AA	3.3
174174	Undefined_Bond_Stereo_Count	0
79095	Rotatable_Bond_Count	1
42762	Defined_Bond_Stereo_Count	0
22725651	Structure_Complexity	119
23158703	Exact_Mass	387.15426879
5288600	Molecular_Weight	311.3
2825062	XLogP3-AA	3.5
24978553	Undefined_Atom_Stereo_Count	0
106824140	Molecular_Weight	115.13
369373	Structure_Complexity	301
94232	Defined_Atom_Stereo_Count	0
142403638	Rotatable_Bond_Count	1
56953649	TPSA	82
9574962	Non-hydrogen_Atom_Count	27
24530	Isotope_Atom_Count	0
283654	Molecular_Weight	264.32
53328	Tautomer_Count	2
10246505	XLogP3	3.7
90547	Mono_Isotopic_Weight	188.0352552
22753620	Undefined_Bond_Stereo_Count	0
13248127	Isotope_Atom_Count	0
3776755	Structure_Complexity	144
87700	Hydrogen_Bond_Donor_Count	0
54392998	Undefined_Atom_Stereo_Count	1
27893	Defined_Atom_Stereo_Count	0
132035918	Hydrogen_Bond_Donor_Count	4
21924633	Mono_Isotopic_Weight	98.073164938
3467	Structure_Complexity	636
46196517	XLogP3-AA	3.8
22762494	Total_Formal_Charge	0
135846130	Hydrogen_Bond_Acceptor_Count	19
203329	Non-hydrogen_Atom_Count	38
54095609	Defined_Bond_Stereo_Count	0
62232603	Total_Formal_Charge	0
20056430	Total_Formal_Charge	0
10953450	Molecular_Weight	110.11
23663390	Total_Formal_Charge	0
43704	Molecular_Weight	295.29
71106	TPSA	74.6
19887667	Exact_Mass	104.094963011
3980	Structure_Complexity	1750
26041	Undefined_Bond_Stereo_Count	0
6993773	Mono_Isotopic_Weight	135.104799419
30529	Undefined_Atom_Stereo_Count	0
9275	Structure_Complexity	260
123761716	Structure_Complexity	80.1
6337677	Hydrogen_Bond_Acceptor_Count	7
154731207	Hydrogen_Bond_Acceptor_Count	13
66169	Hydrogen_Bond_Acceptor_Count	2
82472	Undefined_Atom_Stereo_Count	0
498459	Defined_Atom_Stereo_Count	0
120393	Defined_Bond_Stereo_Count	0
5321950	Hydrogen_Bond_Donor_Count	0
14222	Total_Formal_Charge	0
103656	Defined_Atom_Stereo_Count	0
101658	Hydrogen_Bond_Acceptor_Count	6
21584622	Non-hydrogen_Atom_Count	47
458645	Total_Formal_Charge	1
85573191	Undefined_Bond_Stereo_Count	0
3933	Undefined_Bond_Stereo_Count	0
44629600	XLogP3-AA	4.5
134717	Tautomer_Count	1
18764599	Non-hydrogen_Atom_Count	8
86101	Structure_Complexity	369
23618458	Molecular_Weight	279.28
9849490	Undefined_Atom_Stereo_Count	1
2111	TPSA	88.6
165411832	Non-hydrogen_Atom_Count	34
11029779	Defined_Bond_Stereo_Count	0
9150	Structure_Complexity	282
10772947	Structure_Complexity	133
13157	Hydrogen_Bond_Donor_Count	1
9848	Hydrogen_Bond_Acceptor_Count	2
296464	Defined_Bond_Stereo_Count	0
10140	Molecular_Weight	465.6
5311447	Exact_Mass	466.15961441
10833710	Tautomer_Count	9
3715	Molecular_Weight	357.8
529389	Covalent_Unit_Count	1
58126	Undefined_Atom_Stereo_Count	3
55466	Structure_Complexity	631
118014938	Undefined_Bond_Stereo_Count	0
68933	Exact_Mass	264.06809681
12444324	Exact_Mass	136.125200510
89805	Non-hydrogen_Atom_Count	12
63855	Covalent_Unit_Count	1
8811	Mono_Isotopic_Weight	264.137496527
68846936	Structure_Complexity	596
439756	Defined_Atom_Stereo_Count	1
7561	Rotatable_Bond_Count	3
5360232	Hydrogen_Bond_Donor_Count	1
1217	Undefined_Bond_Stereo_Count	0
46830487	Isotope_Atom_Count	0
147919783	Isotope_Atom_Count	0
25127112	Mono_Isotopic_Weight	404.13619017
257156	Structure_Complexity	270
87072684	XLogP3-AA	0.8
16950	Non-hydrogen_Atom_Count	20
99451	Rotatable_Bond_Count	0
7767	Undefined_Bond_Stereo_Count	0
78557	TPSA	9.7
10148984	Hydrogen_Bond_Donor_Count	2
123888456	Isotope_Atom_Count	0
11546350	Hydrogen_Bond_Acceptor_Count	4
39066	Isotope_Atom_Count	0
5282551	Non-hydrogen_Atom_Count	32
4778	Total_Formal_Charge	0
4697	Molecular_Weight	435.6
54429687	Rotatable_Bond_Count	1
72153	Structure_Complexity	208
21020205	Defined_Atom_Stereo_Count	0
82467716	Undefined_Bond_Stereo_Count	0
564864	XLogP3	3.8
139084136	Total_Formal_Charge	0
6761	Undefined_Atom_Stereo_Count	0
5361463	Molecular_Weight	429.1
12556904	Mono_Isotopic_Weight	116.083729621
20309174	Defined_Bond_Stereo_Count	0
136871	Structure_Complexity	42.6
13795013	Hydrogen_Bond_Donor_Count	2
69019	Isotope_Atom_Count	0
105766824	Non-hydrogen_Atom_Count	8
6426660	Exact_Mass	314.24570956
71343993	TPSA	52.8
143196	Rotatable_Bond_Count	0
56672296	Exact_Mass	396.15101554
23649154	Rotatable_Bond_Count	4
5639	TPSA	68.4
6857474	Defined_Atom_Stereo_Count	0
14517	Hydrogen_Bond_Donor_Count	0
69834	Structure_Complexity	103
3297	Covalent_Unit_Count	1
10187	Mono_Isotopic_Weight	226.062994177
68238	Total_Formal_Charge	0
17912027	Isotope_Atom_Count	0
98218	Defined_Bond_Stereo_Count	0
72200722	Covalent_Unit_Count	1
11227182	Covalent_Unit_Count	2
9863776	TPSA	113
69251960	Hydrogen_Bond_Donor_Count	1
30587	Defined_Atom_Stereo_Count	0
10964444	Hydrogen_Bond_Donor_Count	1
6474109	Molecular_Weight	1422.7
53800769	Defined_Atom_Stereo_Count	0
40153	XLogP3-AA	2.8
6213	Defined_Atom_Stereo_Count	0
16732168	Structure_Complexity	774
7048523	Defined_Bond_Stereo_Count	0
23681107	Molecular_Weight	325.12
74	Tautomer_Count	60
136219154	Molecular_Weight	380.9
51003564	Undefined_Atom_Stereo_Count	0
3032279	Defined_Atom_Stereo_Count	0
146156882	Defined_Atom_Stereo_Count	5
12695916	TPSA	17.1
12228440	Covalent_Unit_Count	1
21956312	Hydrogen_Bond_Acceptor_Count	2
5363181	Molecular_Weight	416.6
140233815	Molecular_Weight	114.19
4774	Non-hydrogen_Atom_Count	21
7017228	XLogP3-AA	0.9
10285780	Undefined_Atom_Stereo_Count	1
1714204	Total_Formal_Charge	0
286827	Defined_Atom_Stereo_Count	0
9570639	Covalent_Unit_Count	1
11366954	Molecular_Weight	97.12
121749	Total_Formal_Charge	0
9826744	Hydrogen_Bond_Donor_Count	1
324379	Undefined_Bond_Stereo_Count	0
24361	Covalent_Unit_Count	1
139584807	Isotope_Atom_Count	0
2816486	Isotope_Atom_Count	0
73714	Molecular_Weight	82.14
101661938	Exact_Mass	662.10129752
20096720	Non-hydrogen_Atom_Count	8
7767	Undefined_Atom_Stereo_Count	0
6148	Covalent_Unit_Count	1
65072	Molecular_Weight	189.21
19676	Total_Formal_Charge	0
76819	Rotatable_Bond_Count	2
442374	Undefined_Bond_Stereo_Count	0
118008485	Undefined_Bond_Stereo_Count	0
54693468	Hydrogen_Bond_Acceptor_Count	6
34837	Defined_Bond_Stereo_Count	0
52941677	Hydrogen_Bond_Donor_Count	1
11203	Undefined_Atom_Stereo_Count	0
22625312	Rotatable_Bond_Count	0
65157	Structure_Complexity	739
3513	XLogP3-AA	2.7
4340561	Non-hydrogen_Atom_Count	7
75460	Molecular_Weight	157.60
411312	Rotatable_Bond_Count	6
14626857	Mono_Isotopic_Weight	559.21409234
61474	Tautomer_Count	1
12669582	Covalent_Unit_Count	1
131741206	Undefined_Bond_Stereo_Count	0
436542	Mono_Isotopic_Weight	207.104799419
123628	Total_Formal_Charge	0
78170	Non-hydrogen_Atom_Count	18
146156970	Rotatable_Bond_Count	26
104902	Hydrogen_Bond_Donor_Count	1
474523	Defined_Bond_Stereo_Count	0
70433668	Exact_Mass	114.068079557
13620760	Molecular_Weight	126.08
5491906	Isotope_Atom_Count	0
240817	Hydrogen_Bond_Acceptor_Count	1
5730	Hydrogen_Bond_Donor_Count	3
9806489	Hydrogen_Bond_Donor_Count	2
72286622	Isotope_Atom_Count	0
14028582	Undefined_Bond_Stereo_Count	0
12048	Exact_Mass	100.125200510
14238	Undefined_Bond_Stereo_Count	1
14195541	TPSA	20.2
461307	Hydrogen_Bond_Acceptor_Count	9
22956467	Total_Formal_Charge	2
75227	Mono_Isotopic_Weight	139.099714038
13473	Hydrogen_Bond_Acceptor_Count	2
6640	XLogP3	1.9
6999106	Defined_Atom_Stereo_Count	0
21675743	Molecular_Weight	100.16
153085381	Covalent_Unit_Count	1
599202	Undefined_Atom_Stereo_Count	0
918602	Hydrogen_Bond_Donor_Count	1
148763531	Undefined_Bond_Stereo_Count	0
136069	Defined_Bond_Stereo_Count	0
446113	Undefined_Bond_Stereo_Count	0
58364265	Molecular_Weight	419.7
40230	Molecular_Weight	203.24
80528	Defined_Bond_Stereo_Count	0
10251042	Rotatable_Bond_Count	3
27822	Isotope_Atom_Count	0
448133	Hydrogen_Bond_Acceptor_Count	9
117072551	Exact_Mass	524.0942002
13214	Mono_Isotopic_Weight	161.00888727
9913	Tautomer_Count	1
15054176	Covalent_Unit_Count	1
91450840	Defined_Atom_Stereo_Count	0
72765870	Hydrogen_Bond_Donor_Count	0
689784	Non-hydrogen_Atom_Count	24
30541	Defined_Bond_Stereo_Count	0
68778068	Hydrogen_Bond_Donor_Count	2
11345692	Covalent_Unit_Count	2
154138519	Non-hydrogen_Atom_Count	7
11029756	Total_Formal_Charge	0
140349	Total_Formal_Charge	0
59904077	Defined_Bond_Stereo_Count	0
81457	XLogP3-AA	0.8
21702831	Mono_Isotopic_Weight	111.068413911
31629	Undefined_Bond_Stereo_Count	0
78031	Undefined_Atom_Stereo_Count	0
72758138	Isotope_Atom_Count	0
10579	XLogP3-AA	7
541483	Hydrogen_Bond_Acceptor_Count	1
5573	Undefined_Bond_Stereo_Count	0
21613900	Covalent_Unit_Count	1
37459	TPSA	23.5
19994812	Hydrogen_Bond_Donor_Count	1
130354549	Molecular_Weight	100.12
42928	Undefined_Bond_Stereo_Count	1
35676	Undefined_Bond_Stereo_Count	0
47024	Exact_Mass	378.08043
104938	Defined_Atom_Stereo_Count	10
76476	Mono_Isotopic_Weight	255.12907007
22028207	Non-hydrogen_Atom_Count	7
9874591	Hydrogen_Bond_Acceptor_Count	12
12049	Hydrogen_Bond_Donor_Count	1
66726	Undefined_Bond_Stereo_Count	0
15424	Rotatable_Bond_Count	9
122316	Defined_Bond_Stereo_Count	0
21987711	Non-hydrogen_Atom_Count	8
9087	Molecular_Weight	171.15
637497	Hydrogen_Bond_Donor_Count	2
90094652	Exact_Mass	115.063328530
1201386	Rotatable_Bond_Count	0
7716	Structure_Complexity	133
38253	Exact_Mass	285.935512
5326566	Total_Formal_Charge	0
30006	Isotope_Atom_Count	0
23207406	Undefined_Bond_Stereo_Count	0
41867	Mono_Isotopic_Weight	543.17406074
159924	Structure_Complexity	26.8
16075	XLogP3	1.8
5280723	XLogP3	3.2
5328791	Covalent_Unit_Count	1
62751	Isotope_Atom_Count	0
27435	Mono_Isotopic_Weight	217.07389321
13643838	Hydrogen_Bond_Acceptor_Count	2
75834	Covalent_Unit_Count	1
22983309	Non-hydrogen_Atom_Count	8
60196332	Defined_Atom_Stereo_Count	1
8225	Defined_Bond_Stereo_Count	0
297812	Hydrogen_Bond_Donor_Count	8
5283736	Hydrogen_Bond_Donor_Count	3
114911	Total_Formal_Charge	0
479930	Covalent_Unit_Count	1
8614	Mono_Isotopic_Weight	304.95489
24848402	Isotope_Atom_Count	0
1232	Covalent_Unit_Count	1
4743	Defined_Bond_Stereo_Count	0
56843375	Rotatable_Bond_Count	60
100940066	Undefined_Bond_Stereo_Count	0
85991	Defined_Bond_Stereo_Count	0
4122	Hydrogen_Bond_Acceptor_Count	5
128423	Total_Formal_Charge	0
3034319	TPSA	47.4
17833	Defined_Atom_Stereo_Count	0
681	Molecular_Weight	153.18
2578	Defined_Bond_Stereo_Count	0
3317081	Tautomer_Count	1
31492	Hydrogen_Bond_Acceptor_Count	2
442972	Total_Formal_Charge	0
11326126	Undefined_Atom_Stereo_Count	0
123347622	Mono_Isotopic_Weight	97.089149355
5795731	Defined_Atom_Stereo_Count	0
34756	Rotatable_Bond_Count	7
7955	Total_Formal_Charge	0
99416	Hydrogen_Bond_Donor_Count	2
6444203	Molecular_Weight	690.9
6337614	Exact_Mass	296.188863393
13333	Molecular_Weight	358.4
5284402	Defined_Atom_Stereo_Count	0
135430970	Exact_Mass	532.19827947
202050	XLogP3-AA	1.2
78610	Defined_Bond_Stereo_Count	0
62015	Hydrogen_Bond_Donor_Count	0
97724	Molecular_Weight	154.21
135860757	Hydrogen_Bond_Acceptor_Count	5
3889	Hydrogen_Bond_Donor_Count	4
31679	Non-hydrogen_Atom_Count	30
64402	Tautomer_Count	1
42095	Hydrogen_Bond_Donor_Count	0
6973640	XLogP3	2.7
57992030	Covalent_Unit_Count	1
93519	Defined_Atom_Stereo_Count	0
140	Isotope_Atom_Count	0
9803788	Exact_Mass	448.03017
12223113	TPSA	0
73820465	Hydrogen_Bond_Donor_Count	2
12614	Total_Formal_Charge	0
71583377	Undefined_Atom_Stereo_Count	0
23655	Non-hydrogen_Atom_Count	21
448812	Tautomer_Count	1000
54751657	Undefined_Atom_Stereo_Count	0
5454	Structure_Complexity	711
640997	Exact_Mass	106.062994177
246476	TPSA	150
139586220	TPSA	104
54429687	Hydrogen_Bond_Acceptor_Count	3
12940701	Undefined_Bond_Stereo_Count	0
12938	Rotatable_Bond_Count	3
24848402	Defined_Bond_Stereo_Count	0
447234	Hydrogen_Bond_Donor_Count	1
11659	Mono_Isotopic_Weight	239.77438
21991095	Mono_Isotopic_Weight	111.079647300
71228	Tautomer_Count	6
7241	TPSA	0
22201	Undefined_Atom_Stereo_Count	0
350	Non-hydrogen_Atom_Count	21
4135	Covalent_Unit_Count	1
53466	Rotatable_Bond_Count	4
92110	Rotatable_Bond_Count	4
229455	TPSA	43.4
2146	Mono_Isotopic_Weight	74.059246208
1548943	Undefined_Atom_Stereo_Count	0
17912	Tautomer_Count	3
138335	Defined_Bond_Stereo_Count	0
28369	Exact_Mass	126.068079557
9141	Total_Formal_Charge	0
72172	Total_Formal_Charge	0
134694041	Defined_Atom_Stereo_Count	6
85728	Exact_Mass	162.068079557
13573329	Undefined_Atom_Stereo_Count	2
126969014	Non-hydrogen_Atom_Count	52
6420096	Exact_Mass	47.037113783
61230	Defined_Atom_Stereo_Count	0
13185	Mono_Isotopic_Weight	258.18310931
737157	Structure_Complexity	248
246511	Defined_Bond_Stereo_Count	0
5324584	Structure_Complexity	53.2
3082127	Hydrogen_Bond_Acceptor_Count	4
34769	XLogP3-AA	0.5
5484444	XLogP3	2.9
177739	XLogP3	1.2
136582	Tautomer_Count	1
12318317	Hydrogen_Bond_Acceptor_Count	1
48654	Mono_Isotopic_Weight	261.03644
22753620	Undefined_Atom_Stereo_Count	0
3117357	Rotatable_Bond_Count	1
14286857	Mono_Isotopic_Weight	218.167065321
56622517	Molecular_Weight	116.16
21117215	Covalent_Unit_Count	1
58806244	Isotope_Atom_Count	0
101316975	TPSA	135
11393	Exact_Mass	186.068079557
24833843	Hydrogen_Bond_Acceptor_Count	9
53943526	Exact_Mass	99.032028402
11341	Tautomer_Count	1
31364	Structure_Complexity	205
537025	Covalent_Unit_Count	1
3121386	TPSA	84
60195902	Total_Formal_Charge	0
7463	Total_Formal_Charge	0
497698	Hydrogen_Bond_Acceptor_Count	6
506015	TPSA	122
71680685	Undefined_Atom_Stereo_Count	1
76138368	Undefined_Bond_Stereo_Count	0
8602	Molecular_Weight	211.64
4755801	Undefined_Atom_Stereo_Count	0
5284613	Tautomer_Count	1
97536	Isotope_Atom_Count	0
54687420	Mono_Isotopic_Weight	249.03632541
3570	Covalent_Unit_Count	1
55113	Undefined_Atom_Stereo_Count	0
84506	Undefined_Atom_Stereo_Count	0
21932619	Undefined_Atom_Stereo_Count	4
13346	Tautomer_Count	1
85695	Exact_Mass	211.06920175
9926791	Total_Formal_Charge	0
13063590	Isotope_Atom_Count	0
7745	Non-hydrogen_Atom_Count	7
51029782	Hydrogen_Bond_Donor_Count	0
328	Undefined_Atom_Stereo_Count	1
9801640	Rotatable_Bond_Count	6
484128	Total_Formal_Charge	0
13908	Defined_Atom_Stereo_Count	0
25231140	Rotatable_Bond_Count	3
9841834	XLogP3-AA	1.5
177865	Rotatable_Bond_Count	4
10313457	Structure_Complexity	72.1
8366	TPSA	79.1
15981323	Structure_Complexity	557
2813282	Defined_Atom_Stereo_Count	0
5372879	TPSA	55
57535	Rotatable_Bond_Count	8
7390	Defined_Atom_Stereo_Count	0
57372628	Hydrogen_Bond_Acceptor_Count	3
55595	Defined_Bond_Stereo_Count	0
51029782	Mono_Isotopic_Weight	401.20630436
20590622	Defined_Bond_Stereo_Count	0
66793	XLogP3	1.9
23899	Hydrogen_Bond_Acceptor_Count	7
45488115	Defined_Bond_Stereo_Count	0
21131860	Defined_Atom_Stereo_Count	0
85237	Hydrogen_Bond_Donor_Count	1
72307	Defined_Bond_Stereo_Count	0
12774278	Defined_Atom_Stereo_Count	1
12867435	Total_Formal_Charge	0
72068	Undefined_Atom_Stereo_Count	0
5326956	TPSA	115
33133	Hydrogen_Bond_Acceptor_Count	4
5795340	Mono_Isotopic_Weight	331.86837
90438	Isotope_Atom_Count	0
38642	Hydrogen_Bond_Donor_Count	0
136835	Structure_Complexity	84.2
660	Defined_Bond_Stereo_Count	0
550942	Exact_Mass	171.149738234
11698194	Undefined_Bond_Stereo_Count	0
65049734	Exact_Mass	112.088815002
20775240	Hydrogen_Bond_Donor_Count	0
68552	Isotope_Atom_Count	0
81451	Undefined_Bond_Stereo_Count	0
590130	Undefined_Atom_Stereo_Count	2
6378	Undefined_Atom_Stereo_Count	1
55286482	Non-hydrogen_Atom_Count	8
64328	Exact_Mass	248.225248902
143392159	Undefined_Bond_Stereo_Count	0
5317	Hydrogen_Bond_Acceptor_Count	8
74724	Rotatable_Bond_Count	2
19704592	Rotatable_Bond_Count	0
20190406	Structure_Complexity	94.5
6538991	Undefined_Atom_Stereo_Count	1
753053	Undefined_Atom_Stereo_Count	0
40469210	Undefined_Atom_Stereo_Count	0
14251035	TPSA	35.5
67210	TPSA	126
76344	Structure_Complexity	248
124846	Tautomer_Count	6
35810	Molecular_Weight	204.29
23409	Mono_Isotopic_Weight	170.048012819
946920	Mono_Isotopic_Weight	343.13544809
145188444	Structure_Complexity	107
2284259	TPSA	54.4
66908762	Rotatable_Bond_Count	0
297691	Covalent_Unit_Count	1
57183917	Non-hydrogen_Atom_Count	8
994360	Undefined_Bond_Stereo_Count	0
759	Structure_Complexity	1720
6917951	Exact_Mass	398.20932405
5360807	Undefined_Atom_Stereo_Count	0
25255	XLogP3-AA	2.9
273577	TPSA	24.9
4996	Non-hydrogen_Atom_Count	19
95299	Hydrogen_Bond_Donor_Count	2
94402	Total_Formal_Charge	0
12285890	Exact_Mass	181.06674293
5464111	TPSA	139
21331354	Defined_Bond_Stereo_Count	0
249502	Exact_Mass	192.151415257
5311169	Non-hydrogen_Atom_Count	96
67629	Hydrogen_Bond_Acceptor_Count	1
521355	Rotatable_Bond_Count	3
24090	TPSA	0
139073990	Structure_Complexity	415
193653	Hydrogen_Bond_Donor_Count	3
671175	Structure_Complexity	402
52893	Hydrogen_Bond_Acceptor_Count	2
13083763	Covalent_Unit_Count	1
73919	Undefined_Bond_Stereo_Count	0
11639	Structure_Complexity	4.8
74739	XLogP3-AA	3.5
83437	XLogP3	1.4
13207481	TPSA	63.3
135472943	Undefined_Atom_Stereo_Count	0
53762327	Defined_Bond_Stereo_Count	0
67236438	Tautomer_Count	3
54422686	Hydrogen_Bond_Donor_Count	1
88294	Hydrogen_Bond_Acceptor_Count	4
40521	Mono_Isotopic_Weight	335.0724492
118104	Structure_Complexity	109
9566269	Isotope_Atom_Count	0
96029	Hydrogen_Bond_Donor_Count	0
23627460	Hydrogen_Bond_Donor_Count	3
24284832	Mono_Isotopic_Weight	115.063328530
274667	Structure_Complexity	362
25612	Structure_Complexity	78.9
9920369	Hydrogen_Bond_Donor_Count	0
23899	Hydrogen_Bond_Donor_Count	0
138041	Hydrogen_Bond_Acceptor_Count	1
53845104	Undefined_Atom_Stereo_Count	0
11768718	Mono_Isotopic_Weight	147.03539970
17318	Defined_Atom_Stereo_Count	0
5282468	Non-hydrogen_Atom_Count	41
82517	Defined_Bond_Stereo_Count	0
62525	Mono_Isotopic_Weight	431.0002508
14693963	XLogP3-AA	2.1
12305763	Hydrogen_Bond_Acceptor_Count	9
5281078	Non-hydrogen_Atom_Count	31
5203	Hydrogen_Bond_Donor_Count	1
91	Hydrogen_Bond_Donor_Count	2
23236224	Rotatable_Bond_Count	0
6918606	Undefined_Bond_Stereo_Count	0
68643	Defined_Bond_Stereo_Count	0
10560336	Mono_Isotopic_Weight	173.107873423
10181898	Rotatable_Bond_Count	5
11182575	TPSA	9.2
9830	Molecular_Weight	223.58
909750	Structure_Complexity	528
57397290	Non-hydrogen_Atom_Count	36
274234	Undefined_Bond_Stereo_Count	0
117295	Molecular_Weight	128.22
155448	TPSA	99.4
9874175	Defined_Atom_Stereo_Count	1
118971790	Isotope_Atom_Count	0
3388710	Exact_Mass	115.00918496
11597936	Covalent_Unit_Count	1
25154200	Total_Formal_Charge	0
77342	Rotatable_Bond_Count	0
69667	Molecular_Weight	104.15
47217	Defined_Bond_Stereo_Count	0
18601660	Hydrogen_Bond_Donor_Count	5
10451	Exact_Mass	120.00674260
13270940	Rotatable_Bond_Count	0
6400264	Covalent_Unit_Count	1
534439	Exact_Mass	114.104465066
87825887	Hydrogen_Bond_Donor_Count	0
714937	XLogP3-AA	3.8
7610	Mono_Isotopic_Weight	137.084063974
193168	Hydrogen_Bond_Donor_Count	2
85626	Total_Formal_Charge	0
54368808	Defined_Bond_Stereo_Count	0
24737	Non-hydrogen_Atom_Count	25
11418570	Tautomer_Count	1
24202578	Hydrogen_Bond_Donor_Count	2
57930746	Molecular_Weight	109.13
9955175	Hydrogen_Bond_Acceptor_Count	7
76720	TPSA	87.7
53869954	Defined_Atom_Stereo_Count	0
17747460	Molecular_Weight	641.3
24795070	Undefined_Atom_Stereo_Count	0
53754520	Exact_Mass	180.089877630
13561474	Non-hydrogen_Atom_Count	8
66581	Hydrogen_Bond_Donor_Count	0
8799	Total_Formal_Charge	0
62705862	Total_Formal_Charge	0
154803918	Defined_Atom_Stereo_Count	0
5365332	Exact_Mass	101.084063974
25381	Rotatable_Bond_Count	3
46907953	Undefined_Atom_Stereo_Count	0
9690109	Rotatable_Bond_Count	5
16574	Structure_Complexity	662
12675	Hydrogen_Bond_Donor_Count	0
22078	Exact_Mass	199.0400063
50993881	Hydrogen_Bond_Donor_Count	3
4243	Undefined_Atom_Stereo_Count	17
37460	Defined_Atom_Stereo_Count	3
127053480	Total_Formal_Charge	0
23677323	Structure_Complexity	220
4564493	TPSA	46.5
8133	TPSA	29.5
19846	Covalent_Unit_Count	1
11170931	Total_Formal_Charge	0
156614059	Structure_Complexity	112
74736	Molecular_Weight	211.26
141329202	Defined_Bond_Stereo_Count	0
703128	Mono_Isotopic_Weight	287.15214353
12969456	Undefined_Atom_Stereo_Count	0
82185	Molecular_Weight	115.13
5367564	Rotatable_Bond_Count	3
56659838	Undefined_Atom_Stereo_Count	0
65853	XLogP3-AA	1.1
94011387	Hydrogen_Bond_Donor_Count	8
79964	Non-hydrogen_Atom_Count	9
175191	Rotatable_Bond_Count	17
84106834	Exact_Mass	99.104799419
72685	Hydrogen_Bond_Donor_Count	6
19816186	Structure_Complexity	107
44246724	Total_Formal_Charge	0
73895182	Mono_Isotopic_Weight	315.04913502
145019560	Total_Formal_Charge	0
7022	Molecular_Weight	239.25
46257	Tautomer_Count	1
501254	XLogP3	0.7
94973	Rotatable_Bond_Count	1
5288319	Total_Formal_Charge	0
995	Defined_Atom_Stereo_Count	0
45923684	Exact_Mass	112.074896272
4698	Exact_Mass	361.13477939
101663894	Structure_Complexity	811
133169	Isotope_Atom_Count	0
90206	Mono_Isotopic_Weight	294.20423867
2123	Mono_Isotopic_Weight	210.15929460
6992027	Isotope_Atom_Count	0
23665765	Hydrogen_Bond_Donor_Count	0
10969	Undefined_Atom_Stereo_Count	1
50360	Hydrogen_Bond_Donor_Count	0
14338	Tautomer_Count	1
22843	Undefined_Bond_Stereo_Count	0
12217323	Molecular_Weight	168.18
20784398	XLogP3-AA	1.8
408763	Isotope_Atom_Count	0
32594	Structure_Complexity	128
4650	Structure_Complexity	149
53864533	Undefined_Bond_Stereo_Count	0
6445562	XLogP3-AA	4.5
41280	Defined_Atom_Stereo_Count	0
71172	Hydrogen_Bond_Acceptor_Count	4
9639	Molecular_Weight	338.04
335	Defined_Bond_Stereo_Count	0
2296	Undefined_Atom_Stereo_Count	2
3082301	Mono_Isotopic_Weight	550.18977037
6374	Undefined_Bond_Stereo_Count	0
97268	Non-hydrogen_Atom_Count	16
6232	Defined_Atom_Stereo_Count	0
3049	Molecular_Weight	266.3
643835	Structure_Complexity	35.3
86806	Rotatable_Bond_Count	6
21793339	Rotatable_Bond_Count	0
135422442	Defined_Bond_Stereo_Count	0
123874	Mono_Isotopic_Weight	215.05587416
23680396	Non-hydrogen_Atom_Count	38
128423	Hydrogen_Bond_Donor_Count	0
8714	Hydrogen_Bond_Donor_Count	6
8090	Mono_Isotopic_Weight	312.302830514
93	Molecular_Weight	160.12
6844	Exact_Mass	188.047344113
19829701	Defined_Bond_Stereo_Count	0
2232	Exact_Mass	508.24678944
82241	Hydrogen_Bond_Donor_Count	0
156616838	Mono_Isotopic_Weight	342.11621151
20136205	Exact_Mass	118.099379685
53318409	Defined_Atom_Stereo_Count	0
10017019	Undefined_Bond_Stereo_Count	0
14233	Rotatable_Bond_Count	1
6433272	Mono_Isotopic_Weight	925.50349992
67768	Structure_Complexity	159
13566	Undefined_Bond_Stereo_Count	0
68617	Non-hydrogen_Atom_Count	20
43006	TPSA	89.7
16249	TPSA	52.6
47811	Defined_Bond_Stereo_Count	0
484651	Hydrogen_Bond_Acceptor_Count	28
148763531	Defined_Atom_Stereo_Count	0
5311451	Molecular_Weight	685.9
57394836	Molecular_Weight	487.4
18766934	Undefined_Atom_Stereo_Count	2
479930	Undefined_Atom_Stereo_Count	1
5283344	Covalent_Unit_Count	1
68129	Total_Formal_Charge	0
77097	Isotope_Atom_Count	0
10964456	Tautomer_Count	3
21702831	Undefined_Bond_Stereo_Count	0
57190391	Non-hydrogen_Atom_Count	6
19930616	Mono_Isotopic_Weight	99.068413911
24556	Non-hydrogen_Atom_Count	5
439569	Isotope_Atom_Count	0
12511	Defined_Atom_Stereo_Count	0
11315250	Isotope_Atom_Count	0
18314545	Undefined_Atom_Stereo_Count	0
53886733	Hydrogen_Bond_Donor_Count	0
11967617	Hydrogen_Bond_Acceptor_Count	12
11636326	Undefined_Bond_Stereo_Count	0
1473879	Rotatable_Bond_Count	3
168625	Non-hydrogen_Atom_Count	12
5573	Defined_Atom_Stereo_Count	0
708	Molecular_Weight	722.9
21538770	Mono_Isotopic_Weight	102.068079557
71248	Defined_Bond_Stereo_Count	0
13664	XLogP3-AA	3.3
69425	Molecular_Weight	250.5
1072	Isotope_Atom_Count	0
9964081	Structure_Complexity	99.8
62328	TPSA	26.3
6400441	Isotope_Atom_Count	0
440966	Structure_Complexity	177
90654313	Undefined_Atom_Stereo_Count	0
38350	Undefined_Atom_Stereo_Count	0
11029889	Undefined_Bond_Stereo_Count	0
76974809	Defined_Atom_Stereo_Count	0
9969613	Defined_Bond_Stereo_Count	0
10270986	Hydrogen_Bond_Acceptor_Count	8
14404	TPSA	28
66201	Mono_Isotopic_Weight	98.036779430
3034645	Isotope_Atom_Count	0
24827	TPSA	46.5
13568632	Total_Formal_Charge	0
398652	Hydrogen_Bond_Donor_Count	0
578334	Undefined_Bond_Stereo_Count	0
163409779	Hydrogen_Bond_Acceptor_Count	4
15909	Hydrogen_Bond_Donor_Count	0
32040	Rotatable_Bond_Count	5
82658	Defined_Atom_Stereo_Count	1
14671559	Non-hydrogen_Atom_Count	8
10997483	Mono_Isotopic_Weight	171.068413911
154478098	Rotatable_Bond_Count	0
5360460	TPSA	95.9
6327546	Non-hydrogen_Atom_Count	16
16130957	Undefined_Atom_Stereo_Count	0
22419332	Hydrogen_Bond_Acceptor_Count	2
14976739	Mono_Isotopic_Weight	208.0767261
15258936	Mono_Isotopic_Weight	283.08445790
84647703	Hydrogen_Bond_Donor_Count	2
123212370	TPSA	0
82418987	Isotope_Atom_Count	0
69088	Hydrogen_Bond_Acceptor_Count	1
69318	Tautomer_Count	1
22472382	Structure_Complexity	135
3085023	Total_Formal_Charge	0
91810695	Exact_Mass	976.3034938
70220	Rotatable_Bond_Count	2
793	Isotope_Atom_Count	0
403803	Structure_Complexity	1040
20035332	Mono_Isotopic_Weight	84.057514874
6918283	Covalent_Unit_Count	4
36921	Mono_Isotopic_Weight	384.04497858
71840	Undefined_Atom_Stereo_Count	0
60207729	Hydrogen_Bond_Donor_Count	1
31288	Undefined_Atom_Stereo_Count	0
21881166	Undefined_Atom_Stereo_Count	0
2710	Exact_Mass	300.1393264
9935073	Exact_Mass	484.1419441
20015	Covalent_Unit_Count	1
656980	Total_Formal_Charge	0
55285488	Undefined_Atom_Stereo_Count	0
162302	TPSA	41.5
62739	Undefined_Bond_Stereo_Count	0
158726884	Molecular_Weight	108.14
28280	Hydrogen_Bond_Donor_Count	6
15004706	Undefined_Bond_Stereo_Count	0
89197	Mono_Isotopic_Weight	111.068413911
6435836	Defined_Atom_Stereo_Count	0
73425700	TPSA	97.3
3036746	Hydrogen_Bond_Donor_Count	1
123698	Molecular_Weight	295.8
21720742	Structure_Complexity	98.7
6539017	XLogP3-AA	3
712377	Structure_Complexity	160
11957468	Structure_Complexity	805
46912230	Total_Formal_Charge	0
441374	Molecular_Weight	582.6
11062343	Isotope_Atom_Count	0
7371	TPSA	62.8
59777381	Non-hydrogen_Atom_Count	8
17909	Structure_Complexity	219
42602176	Isotope_Atom_Count	0
5281878	Undefined_Bond_Stereo_Count	0
11243969	Exact_Mass	315.19467705
3963	Defined_Atom_Stereo_Count	0
12242916	Hydrogen_Bond_Donor_Count	0
6325610	Molecular_Weight	318.3
14949721	Mono_Isotopic_Weight	99.104799419
410702	Hydrogen_Bond_Acceptor_Count	2
6781	Defined_Bond_Stereo_Count	0
5311304	Non-hydrogen_Atom_Count	26
12704953	Hydrogen_Bond_Donor_Count	2
31247	Structure_Complexity	86.5
51375035	Covalent_Unit_Count	1
44349142	Undefined_Bond_Stereo_Count	0
18733	Total_Formal_Charge	1
20220664	Structure_Complexity	86.5
16130957	Defined_Atom_Stereo_Count	10
440141	Hydrogen_Bond_Acceptor_Count	14
14796	Mono_Isotopic_Weight	105.9110070
101977	Defined_Bond_Stereo_Count	0
16052015	Defined_Atom_Stereo_Count	8
574495	Undefined_Atom_Stereo_Count	12
54427	Molecular_Weight	263.29
11527635	Rotatable_Bond_Count	12
76964582	Undefined_Bond_Stereo_Count	0
9703	Undefined_Bond_Stereo_Count	0
18618	TPSA	224
12724397	Structure_Complexity	107
27932	Exact_Mass	100.063662883
11513733	Exact_Mass	82.016712692
25164000	Defined_Bond_Stereo_Count	0
699571	Non-hydrogen_Atom_Count	17
5755	Hydrogen_Bond_Donor_Count	3
13468167	TPSA	20.2
3179255	XLogP3-AA	3.7
20591	Undefined_Atom_Stereo_Count	0
58611	Undefined_Atom_Stereo_Count	0
76030824	Defined_Atom_Stereo_Count	0
10350317	Undefined_Atom_Stereo_Count	0
14344952	Isotope_Atom_Count	0
16274	Defined_Atom_Stereo_Count	0
3636092	Hydrogen_Bond_Acceptor_Count	3
71675	Rotatable_Bond_Count	5
101001097	Hydrogen_Bond_Acceptor_Count	4
41955	Non-hydrogen_Atom_Count	21
20841747	Structure_Complexity	64.9
54152337	Defined_Bond_Stereo_Count	0
57505393	Hydrogen_Bond_Donor_Count	1
548	Hydrogen_Bond_Donor_Count	3
67547	Rotatable_Bond_Count	12
76537	Structure_Complexity	168
14992	Undefined_Atom_Stereo_Count	0
90200	Mono_Isotopic_Weight	543.92954
3030	XLogP3	2.2
3050	Undefined_Bond_Stereo_Count	0
4377	Hydrogen_Bond_Donor_Count	2
23696271	Mono_Isotopic_Weight	222.99152313
99411	Total_Formal_Charge	0
6427135	Non-hydrogen_Atom_Count	11
84647680	Covalent_Unit_Count	1
154171248	Rotatable_Bond_Count	2
78931	Total_Formal_Charge	0
83596	Covalent_Unit_Count	1
3086685	Total_Formal_Charge	0
3796640	XLogP3-AA	2.9
4583	Molecular_Weight	361.4
158726884	TPSA	17.8
4205037	Rotatable_Bond_Count	13
135398645	Defined_Bond_Stereo_Count	0
11420	Non-hydrogen_Atom_Count	8
73919	Undefined_Atom_Stereo_Count	0
549097	Isotope_Atom_Count	0
57396041	Exact_Mass	454.33077660
38756	Molecular_Weight	114.19
12132667	Molecular_Weight	96.13
6537099	Structure_Complexity	326
51047	Undefined_Bond_Stereo_Count	0
57560	Total_Formal_Charge	0
11477652	Defined_Atom_Stereo_Count	0
53318409	Undefined_Atom_Stereo_Count	0
64685	Non-hydrogen_Atom_Count	11
85999939	Mono_Isotopic_Weight	107.073499291
3226	TPSA	9.2
22842095	Isotope_Atom_Count	0
76038	Isotope_Atom_Count	0
15903	Hydrogen_Bond_Donor_Count	0
7061	XLogP3	3.3
66636	TPSA	59
9568512	Mono_Isotopic_Weight	236.07318219
13306871	TPSA	40.5
6920223	Exact_Mass	122.024203370
819440	Undefined_Bond_Stereo_Count	0
135398596	Defined_Atom_Stereo_Count	3
11073351	Undefined_Bond_Stereo_Count	0
10108847	Isotope_Atom_Count	0
398513	Hydrogen_Bond_Acceptor_Count	10
156614100	Defined_Atom_Stereo_Count	0
85238	Defined_Bond_Stereo_Count	0
23934	Structure_Complexity	0
34676237	Hydrogen_Bond_Donor_Count	1
6916033	Tautomer_Count	1
1340	Undefined_Bond_Stereo_Count	0
5527	Isotope_Atom_Count	0
227274	Defined_Bond_Stereo_Count	0
5281250	Hydrogen_Bond_Donor_Count	0
223866	Mono_Isotopic_Weight	408.20490738
57750798	Mono_Isotopic_Weight	112.088815002
6328250	Structure_Complexity	266
651720	TPSA	95.7
664081	Structure_Complexity	399
70687387	TPSA	91.9
15402	Defined_Atom_Stereo_Count	0
95809	Undefined_Bond_Stereo_Count	0
136115428	Molecular_Weight	111.11
61140	Undefined_Bond_Stereo_Count	0
71743826	Exact_Mass	112.088815002
23723027	Undefined_Atom_Stereo_Count	0
77117	Hydrogen_Bond_Acceptor_Count	3
526	TPSA	365
31824	Non-hydrogen_Atom_Count	19
140473289	Defined_Atom_Stereo_Count	12
11727234	Rotatable_Bond_Count	1
21895383	TPSA	54.6
18779169	Molecular_Weight	112.13
8333	Hydrogen_Bond_Acceptor_Count	2
34751	Total_Formal_Charge	0
59961798	XLogP3-AA	3
14464334	Total_Formal_Charge	0
92162	Covalent_Unit_Count	1
11748	Hydrogen_Bond_Acceptor_Count	3
17001	Molecular_Weight	280.4
9883149	Hydrogen_Bond_Donor_Count	1
38012	Non-hydrogen_Atom_Count	17
3743617	Defined_Atom_Stereo_Count	0
21353681	Covalent_Unit_Count	1
149798	XLogP3-AA	1.1
36255	TPSA	163
134694008	Rotatable_Bond_Count	14
23706212	Defined_Bond_Stereo_Count	0
442882	Defined_Atom_Stereo_Count	0
3246495	Total_Formal_Charge	0
14818447	Defined_Atom_Stereo_Count	0
21122483	TPSA	0
30973	Molecular_Weight	305.26
14120104	Total_Formal_Charge	0
2020	Molecular_Weight	385.5
9805776	Exact_Mass	494.16239112
2759255	Rotatable_Bond_Count	4
69871	Mono_Isotopic_Weight	177.00376279
64184	Undefined_Atom_Stereo_Count	2
57401368	Mono_Isotopic_Weight	432.21951207
85626	Hydrogen_Bond_Donor_Count	0
475318	Hydrogen_Bond_Donor_Count	1
72121	Mono_Isotopic_Weight	308.17494466
44368	Covalent_Unit_Count	1
121881	Undefined_Bond_Stereo_Count	0
536111	Undefined_Bond_Stereo_Count	0
84682	Structure_Complexity	19.6
141210311	Mono_Isotopic_Weight	116.047344113
3801	Total_Formal_Charge	1
53779803	Exact_Mass	86.073164938
24848343	Non-hydrogen_Atom_Count	16
91490309	Covalent_Unit_Count	1
21487318	Isotope_Atom_Count	0
25171648	Covalent_Unit_Count	1
57345768	Molecular_Weight	665.7
453077	Total_Formal_Charge	0
341	Non-hydrogen_Atom_Count	23
5355858	Tautomer_Count	1
240119	Defined_Atom_Stereo_Count	0
25077993	Total_Formal_Charge	0
56623	Exact_Mass	309.03541696
77737505	Hydrogen_Bond_Donor_Count	1
146887978	Undefined_Atom_Stereo_Count	1
6951525	Defined_Bond_Stereo_Count	0
49652	Undefined_Atom_Stereo_Count	0
101605498	Non-hydrogen_Atom_Count	44
70217	Defined_Atom_Stereo_Count	0
21635253	XLogP3-AA	0.2
10288191	Total_Formal_Charge	0
78160	Isotope_Atom_Count	0
45116668	Mono_Isotopic_Weight	110.048012819
10138980	Structure_Complexity	730
20558	Covalent_Unit_Count	1
123840004	Isotope_Atom_Count	0
63833	Undefined_Bond_Stereo_Count	0
2572	Mono_Isotopic_Weight	175.08445790
67807	Tautomer_Count	1
15012	Hydrogen_Bond_Acceptor_Count	1
119391	Total_Formal_Charge	0
54688694	Rotatable_Bond_Count	2
11298500	Mono_Isotopic_Weight	194.167065321
261491	Isotope_Atom_Count	0
15707	Hydrogen_Bond_Acceptor_Count	0
5371560	Structure_Complexity	291
45794	TPSA	20.2
21691268	Undefined_Bond_Stereo_Count	0
87367	Exact_Mass	293.16584950
46173707	Hydrogen_Bond_Donor_Count	11
5280492	Total_Formal_Charge	0
5504	Rotatable_Bond_Count	2
139062015	Non-hydrogen_Atom_Count	21
65422334	Isotope_Atom_Count	0
139030973	Isotope_Atom_Count	0
3364777	Structure_Complexity	72.8
6624	Mono_Isotopic_Weight	266.0265204
13561	Non-hydrogen_Atom_Count	12
9207	Tautomer_Count	1
10784	Mono_Isotopic_Weight	219.93851
10693833	Covalent_Unit_Count	1
307	Mono_Isotopic_Weight	132.057514874
10159191	Defined_Bond_Stereo_Count	0
8056	Structure_Complexity	17.5
94222	Rotatable_Bond_Count	3
10777574	Hydrogen_Bond_Acceptor_Count	3
160550	TPSA	75.8
91267	Covalent_Unit_Count	1
124040753	Undefined_Atom_Stereo_Count	4
24901347	Exact_Mass	463.19296297
9820073	Hydrogen_Bond_Acceptor_Count	4
11768523	Mono_Isotopic_Weight	106.053098200
82993	Isotope_Atom_Count	0
338085	Defined_Atom_Stereo_Count	0
177084	Isotope_Atom_Count	0
86209	TPSA	17.1
928	Structure_Complexity	1230
66162	Isotope_Atom_Count	0
58691	Covalent_Unit_Count	2
5486821	Isotope_Atom_Count	0
413505	Hydrogen_Bond_Acceptor_Count	4
12477	Isotope_Atom_Count	0
42174	Undefined_Atom_Stereo_Count	1
9908927	Mono_Isotopic_Weight	396.77711
53465	Hydrogen_Bond_Donor_Count	0
6420138	Isotope_Atom_Count	0
145003683	Non-hydrogen_Atom_Count	8
3587356	Structure_Complexity	61
151726	Non-hydrogen_Atom_Count	9
17586	TPSA	9.2
126011	Defined_Atom_Stereo_Count	0
439318	Exact_Mass	483.25404239
12892583	Non-hydrogen_Atom_Count	8
10937610	Total_Formal_Charge	0
3639	Rotatable_Bond_Count	1
6328594	Undefined_Atom_Stereo_Count	0
53864533	Undefined_Atom_Stereo_Count	0
56931136	Molecular_Weight	462.9
19371515	Defined_Atom_Stereo_Count	0
95162416	Total_Formal_Charge	0
18762609	TPSA	38.7
9548595	Mono_Isotopic_Weight	426.386166214
72887	Molecular_Weight	128.17
82993	Hydrogen_Bond_Donor_Count	0
2723816	Tautomer_Count	1
44129647	Exact_Mass	348.11035554
36890	Tautomer_Count	2
2533	Molecular_Weight	790.8
72521	Tautomer_Count	15
55652	Hydrogen_Bond_Donor_Count	0
24847	Exact_Mass	158.167065321
71782	Undefined_Bond_Stereo_Count	2
15565709	TPSA	50.8
131841462	Isotope_Atom_Count	0
44393512	Exact_Mass	1201.84136802
199758	TPSA	33.1
447555	Defined_Atom_Stereo_Count	1
60936	Hydrogen_Bond_Donor_Count	2
60196398	Total_Formal_Charge	0
3036154	Isotope_Atom_Count	0
17457	Hydrogen_Bond_Donor_Count	0
79178156	Molecular_Weight	100.12
43815	Hydrogen_Bond_Donor_Count	1
20708	TPSA	0
71935	Mono_Isotopic_Weight	291.162314293
565843	Defined_Bond_Stereo_Count	0
131751505	Hydrogen_Bond_Acceptor_Count	8
115219	Covalent_Unit_Count	1
57345538	Covalent_Unit_Count	1
2724333	Molecular_Weight	176.12
44431171	XLogP3-AA	2.6
98086793	Structure_Complexity	418
101988841	Exact_Mass	17.0375768735
448222	Undefined_Bond_Stereo_Count	0
16130278	Non-hydrogen_Atom_Count	114
114905	Hydrogen_Bond_Acceptor_Count	9
53325875	Mono_Isotopic_Weight	412.0606145
158797	Rotatable_Bond_Count	7
15496999	Defined_Atom_Stereo_Count	0
71577	Total_Formal_Charge	0
9570985	Non-hydrogen_Atom_Count	38
123190012	Hydrogen_Bond_Donor_Count	0
7464	Total_Formal_Charge	0
22859	Isotope_Atom_Count	0
12769202	Molecular_Weight	113.11
19239	Exact_Mass	102.079312947
21093905	Exact_Mass	378.1458683
8778	Hydrogen_Bond_Donor_Count	1
148184759	XLogP3-AA	1.1
66823783	Exact_Mass	132.043596145
652019	Isotope_Atom_Count	0
11051571	Defined_Bond_Stereo_Count	0
400189	Molecular_Weight	439.5
518700	Hydrogen_Bond_Donor_Count	0
101666842	Exact_Mass	254.105527694
162636	Non-hydrogen_Atom_Count	11
62530	Structure_Complexity	200
21126175	Isotope_Atom_Count	0
65217	Undefined_Bond_Stereo_Count	0
7260	XLogP3	1.4
134688573	Covalent_Unit_Count	1
701808	Defined_Atom_Stereo_Count	1
34081	Mono_Isotopic_Weight	640.21692861
102491	Rotatable_Bond_Count	6
36690486	Structure_Complexity	319
81079	Molecular_Weight	138.55
5410	TPSA	43.4
10116556	Isotope_Atom_Count	0
57417360	Total_Formal_Charge	0
81423	Structure_Complexity	126
127548	Molecular_Weight	217.22
9817140	Non-hydrogen_Atom_Count	21
4055	Undefined_Bond_Stereo_Count	0
88098	Defined_Bond_Stereo_Count	0
160801313	Exact_Mass	112.052429494
6251	Defined_Bond_Stereo_Count	0
53803945	Non-hydrogen_Atom_Count	8
47765	Molecular_Weight	312.39
117126701	Defined_Bond_Stereo_Count	0
2733224	TPSA	47.4
13808253	Exact_Mass	100.052429494
139771583	Non-hydrogen_Atom_Count	8
23674995	Non-hydrogen_Atom_Count	33
67805120	TPSA	0
71742521	Mono_Isotopic_Weight	111.068413911
80278	Defined_Bond_Stereo_Count	0
3881	Hydrogen_Bond_Acceptor_Count	4
578334	Undefined_Atom_Stereo_Count	0
21417010	Hydrogen_Bond_Donor_Count	4
54023308	Hydrogen_Bond_Acceptor_Count	1
77312	Hydrogen_Bond_Donor_Count	0
13992155	Hydrogen_Bond_Acceptor_Count	8
7054	Hydrogen_Bond_Donor_Count	1
121834	Molecular_Weight	308.35
91041862	XLogP3-AA	3.4
72739321	Molecular_Weight	96.13
159324	Tautomer_Count	1
234818	Exact_Mass	309.172878976
192160	Hydrogen_Bond_Acceptor_Count	3
28594	Isotope_Atom_Count	0
7715	Mono_Isotopic_Weight	182.094294304
20690188	XLogP3-AA	2
178096	Hydrogen_Bond_Donor_Count	2
222199	Mono_Isotopic_Weight	200.10485899
25195294	Exact_Mass	406.19059473
398687	Hydrogen_Bond_Acceptor_Count	5
22611003	Undefined_Atom_Stereo_Count	0
5324169	Covalent_Unit_Count	1
45109807	Defined_Bond_Stereo_Count	0
188987	Defined_Atom_Stereo_Count	0
284950	Covalent_Unit_Count	1
7829	Structure_Complexity	179
7048611	Isotope_Atom_Count	0
51174	Hydrogen_Bond_Acceptor_Count	5
135975	TPSA	0
118984465	Molecular_Weight	749.9
33256	Undefined_Bond_Stereo_Count	0
87298	TPSA	15.3
20483617	Non-hydrogen_Atom_Count	8
9794159	TPSA	114
6625	XLogP3	3.9
4421864	Isotope_Atom_Count	0
23279022	Structure_Complexity	50
205953	Undefined_Atom_Stereo_Count	2
12904	Rotatable_Bond_Count	6
11462536	Molecular_Weight	360.3
528612	Exact_Mass	113.084063974
115368	Hydrogen_Bond_Acceptor_Count	6
249778	XLogP3-AA	0.1
5486699	Hydrogen_Bond_Donor_Count	10
53584	Rotatable_Bond_Count	8
8749	Exact_Mass	150.079312947
14028213	Structure_Complexity	141
689816	Hydrogen_Bond_Acceptor_Count	3
23581796	Total_Formal_Charge	0
136797998	Mono_Isotopic_Weight	396.0044419
19972	Hydrogen_Bond_Donor_Count	2
12400909	Structure_Complexity	157
162642814	Total_Formal_Charge	0
57404185	Total_Formal_Charge	0
9595287	Hydrogen_Bond_Donor_Count	1
138921	Defined_Atom_Stereo_Count	0
60150535	Undefined_Atom_Stereo_Count	0
54099775	TPSA	46.3
19070	Undefined_Atom_Stereo_Count	0
31515	Undefined_Bond_Stereo_Count	0
92588	Mono_Isotopic_Weight	110.073164938
3074943	Tautomer_Count	6
58831415	Undefined_Atom_Stereo_Count	4
86289069	Hydrogen_Bond_Donor_Count	13
49769064	Total_Formal_Charge	0
137699570	Covalent_Unit_Count	1
52766	Undefined_Atom_Stereo_Count	0
36744	Total_Formal_Charge	0
67518639	Defined_Bond_Stereo_Count	0
12223113	XLogP3-AA	2.8
12036417	Defined_Atom_Stereo_Count	0
44557554	Hydrogen_Bond_Donor_Count	2
153754883	Isotope_Atom_Count	0
1979	Defined_Atom_Stereo_Count	0
44521017	Structure_Complexity	427
133556498	Defined_Atom_Stereo_Count	11
62416539	Undefined_Bond_Stereo_Count	0
21545139	Isotope_Atom_Count	0
230	Total_Formal_Charge	0
48068	Non-hydrogen_Atom_Count	38
135415564	Exact_Mass	846.44150881
64737	Undefined_Bond_Stereo_Count	0
4640670	Hydrogen_Bond_Acceptor_Count	6
25110841	Defined_Bond_Stereo_Count	0
6257	Rotatable_Bond_Count	4
66254	TPSA	63.3
8076	Defined_Bond_Stereo_Count	0
68119	XLogP3	1.2
248271	Defined_Bond_Stereo_Count	0
9703	Undefined_Atom_Stereo_Count	0
53710320	Defined_Atom_Stereo_Count	0
460621	Defined_Atom_Stereo_Count	8
97868	Hydrogen_Bond_Donor_Count	2
8196	Non-hydrogen_Atom_Count	13
62737	Non-hydrogen_Atom_Count	28
18998026	Molecular_Weight	102.11
66087	Mono_Isotopic_Weight	108.99862027
22506613	Defined_Bond_Stereo_Count	0
17475	Defined_Atom_Stereo_Count	0
138510	Isotope_Atom_Count	0
130905498	Undefined_Bond_Stereo_Count	0
122672078	Hydrogen_Bond_Acceptor_Count	1
44452442	Undefined_Atom_Stereo_Count	1
14081	Molecular_Weight	110.16
18185988	Mono_Isotopic_Weight	84.057514874
61973	Undefined_Atom_Stereo_Count	1
58750499	Defined_Atom_Stereo_Count	0
62583	Undefined_Atom_Stereo_Count	1
71416538	Isotope_Atom_Count	0
22768309	Structure_Complexity	78.5
8027	Undefined_Atom_Stereo_Count	0
5353466	Rotatable_Bond_Count	6
145900	XLogP3	2.2
15940170	Exact_Mass	474.17390455
22320095	Isotope_Atom_Count	0
18430	Hydrogen_Bond_Acceptor_Count	1
19648	Isotope_Atom_Count	0
3085023	Tautomer_Count	2
33558	Hydrogen_Bond_Donor_Count	0
7470	Non-hydrogen_Atom_Count	10
11661757	Total_Formal_Charge	0
84602	Molecular_Weight	596.5
2724995	Exact_Mass	239.10655327
498158	Covalent_Unit_Count	1
22556	XLogP3	4.6
46877881	Defined_Bond_Stereo_Count	0
63036	Non-hydrogen_Atom_Count	32
91272	Hydrogen_Bond_Donor_Count	7
6424	Molecular_Weight	310.81
199605	Mono_Isotopic_Weight	187.136099547
5458769	Structure_Complexity	1830
68258	Mono_Isotopic_Weight	148.088815002
689	Non-hydrogen_Atom_Count	28
6604042	Undefined_Bond_Stereo_Count	0
89223105	Defined_Atom_Stereo_Count	0
282471	Undefined_Bond_Stereo_Count	0
64710	Defined_Atom_Stereo_Count	9
3000926	Exact_Mass	335.0746777
68840	Hydrogen_Bond_Acceptor_Count	1
44229138	TPSA	77.3
11977152	Exact_Mass	191.1845299
91434	TPSA	123
675	Defined_Atom_Stereo_Count	0
154685136	Defined_Atom_Stereo_Count	0
70724	Hydrogen_Bond_Donor_Count	0
465069	Non-hydrogen_Atom_Count	18
625	Undefined_Atom_Stereo_Count	3
139054114	Total_Formal_Charge	0
16132265	Defined_Atom_Stereo_Count	36
14717865	TPSA	17.8
17477	Defined_Bond_Stereo_Count	0
22873	Defined_Atom_Stereo_Count	0
3080589	Structure_Complexity	355
58550596	Isotope_Atom_Count	0
5095	Defined_Bond_Stereo_Count	0
10330532	Hydrogen_Bond_Donor_Count	1
138950	Covalent_Unit_Count	1
54581904	TPSA	34.2
37015	Covalent_Unit_Count	1
199855	TPSA	44
75472	Covalent_Unit_Count	1
12182	Covalent_Unit_Count	1
21093905	Isotope_Atom_Count	0
82734	TPSA	61.6
14539800	Structure_Complexity	659
19077520	Defined_Atom_Stereo_Count	0
64156	Undefined_Atom_Stereo_Count	0
4451	Non-hydrogen_Atom_Count	40
48346	Non-hydrogen_Atom_Count	15
9810771	Total_Formal_Charge	0
1365	Defined_Atom_Stereo_Count	0
4253	Covalent_Unit_Count	1
14445624	Total_Formal_Charge	0
388136	Rotatable_Bond_Count	1
33515	TPSA	12.9
24090	Hydrogen_Bond_Donor_Count	0
92145	Covalent_Unit_Count	1
129627774	Exact_Mass	1033.54575866
22033763	Hydrogen_Bond_Acceptor_Count	2
5288725	TPSA	49.3
9867361	Defined_Bond_Stereo_Count	0
16850	Hydrogen_Bond_Acceptor_Count	5
5284580	Tautomer_Count	1
25025505	Rotatable_Bond_Count	7
30905	Isotope_Atom_Count	0
705715	Molecular_Weight	287.33
81129	Non-hydrogen_Atom_Count	9
65987055	Non-hydrogen_Atom_Count	7
44589090	Total_Formal_Charge	0
289151	Mono_Isotopic_Weight	204.187800766
20943	Mono_Isotopic_Weight	366.07079941
69532978	Exact_Mass	115.063328530
61109	Tautomer_Count	1
5472495	Rotatable_Bond_Count	4
3000450	Hydrogen_Bond_Acceptor_Count	6
83717	Covalent_Unit_Count	1
74581	Exact_Mass	161.02992040
136796	Defined_Bond_Stereo_Count	0
7320	Total_Formal_Charge	0
57514051	Mono_Isotopic_Weight	1024.3123164
136589	Hydrogen_Bond_Acceptor_Count	1
134270	XLogP3-AA	0.8
139040442	Defined_Bond_Stereo_Count	0
638178	Covalent_Unit_Count	2
53808	Mono_Isotopic_Weight	276.0553220
53304446	Undefined_Bond_Stereo_Count	0
57312199	Undefined_Bond_Stereo_Count	0
37034	XLogP3	7.2
3751958	Total_Formal_Charge	1
897473	Hydrogen_Bond_Donor_Count	2
53667577	Molecular_Weight	113.16
23260879	Total_Formal_Charge	0
135445749	Exact_Mass	503.15052004
101895952	Non-hydrogen_Atom_Count	34
3714053	TPSA	54.8
159325	Undefined_Atom_Stereo_Count	0
5715107	Total_Formal_Charge	0
349957	Molecular_Weight	330.2
16202184	Undefined_Atom_Stereo_Count	0
11930	Exact_Mass	306.140850574
146767	XLogP3-AA	1.6
57270176	Defined_Bond_Stereo_Count	0
5284656	Exact_Mass	176.083729621
10866290	Exact_Mass	111.104799419
12434511	XLogP3-AA	0.1
125042028	Hydrogen_Bond_Acceptor_Count	1
10194504	Defined_Bond_Stereo_Count	0
220820	Defined_Atom_Stereo_Count	0
51042	TPSA	0
54025313	TPSA	13.1
49836020	Exact_Mass	806.42908786
10996972	XLogP3-AA	1.4
170214	Non-hydrogen_Atom_Count	12
43454	Undefined_Atom_Stereo_Count	0
18641	Tautomer_Count	6
4133	Defined_Atom_Stereo_Count	0
17806258	Mono_Isotopic_Weight	107.037113783
567600	Defined_Atom_Stereo_Count	0
134436906	TPSA	112
3083544	Non-hydrogen_Atom_Count	25
60155458	Hydrogen_Bond_Acceptor_Count	9
11051686	Isotope_Atom_Count	0
30489	Hydrogen_Bond_Acceptor_Count	1
13804427	Structure_Complexity	91.9
5352837	Exact_Mass	128.120115130
41515	XLogP3-AA	3.6
705467	Exact_Mass	249.13649347
159889	Rotatable_Bond_Count	4
18622352	XLogP3-AA	0.3
5702096	XLogP3	3.3
11319223	Undefined_Atom_Stereo_Count	0
12394645	Non-hydrogen_Atom_Count	8
3790985	Total_Formal_Charge	0
61259	Isotope_Atom_Count	0
54399	Tautomer_Count	2
12754	Molecular_Weight	191.45
66992840	Non-hydrogen_Atom_Count	19
687604	Non-hydrogen_Atom_Count	20
44571102	Rotatable_Bond_Count	4
755	Defined_Bond_Stereo_Count	0
57992175	Defined_Atom_Stereo_Count	0
12266719	Undefined_Bond_Stereo_Count	0
6450806	TPSA	69.5
166480	Structure_Complexity	468
2764838	Undefined_Bond_Stereo_Count	0
18521191	Tautomer_Count	1
205970	TPSA	42.8
2367	Hydrogen_Bond_Acceptor_Count	9
160332	XLogP3-AA	5.6
50543	Covalent_Unit_Count	1
137815	Isotope_Atom_Count	0
12634655	Structure_Complexity	109
12532405	Non-hydrogen_Atom_Count	7
19734140	Undefined_Bond_Stereo_Count	0
3000668	Mono_Isotopic_Weight	305.16270821
5367760	Undefined_Bond_Stereo_Count	0
20553	Molecular_Weight	85.10
129652160	TPSA	132
10937610	Hydrogen_Bond_Donor_Count	0
83979	TPSA	206
123288617	Undefined_Bond_Stereo_Count	0
71567	Undefined_Atom_Stereo_Count	0
5460232	Hydrogen_Bond_Donor_Count	1
9961192	Hydrogen_Bond_Acceptor_Count	9
30921	Undefined_Atom_Stereo_Count	1
79122	Undefined_Atom_Stereo_Count	1
5917	Defined_Bond_Stereo_Count	0
6432469	Tautomer_Count	3
66550979	Hydrogen_Bond_Donor_Count	2
31336	Defined_Atom_Stereo_Count	1
44097	Isotope_Atom_Count	0
5355732	Undefined_Atom_Stereo_Count	0
441285	Undefined_Atom_Stereo_Count	1
520217	Mono_Isotopic_Weight	299.07061935
54718618	Undefined_Bond_Stereo_Count	0
12502857	Non-hydrogen_Atom_Count	7
5365748	Tautomer_Count	1
162639102	Mono_Isotopic_Weight	411.00600498
45073433	Non-hydrogen_Atom_Count	43
225710	Structure_Complexity	86.1
25418	Rotatable_Bond_Count	1
122706285	Mono_Isotopic_Weight	338.01513155
10975422	Undefined_Bond_Stereo_Count	0
20601501	Rotatable_Bond_Count	2
8308	Defined_Bond_Stereo_Count	0
58054368	Total_Formal_Charge	0
444022	Tautomer_Count	8
2116	Non-hydrogen_Atom_Count	31
9862272	Exact_Mass	328.1142544
21658180	Total_Formal_Charge	0
20473	Molecular_Weight	196.34
91851108	Non-hydrogen_Atom_Count	23
58265621	Hydrogen_Bond_Acceptor_Count	2
5283134	Total_Formal_Charge	0
5561	Defined_Atom_Stereo_Count	0
132647840	Covalent_Unit_Count	2
26955	Exact_Mass	192.151415257
129669846	Defined_Bond_Stereo_Count	0
298107	Rotatable_Bond_Count	11
31411	Non-hydrogen_Atom_Count	30
534471	Isotope_Atom_Count	0
82406	Hydrogen_Bond_Donor_Count	0
12284127	Undefined_Bond_Stereo_Count	0
67434749	Mono_Isotopic_Weight	100.100048391
138117	Rotatable_Bond_Count	5
88589623	Exact_Mass	665.30474055
9861	TPSA	20.2
631837	Undefined_Bond_Stereo_Count	0
542338	Undefined_Atom_Stereo_Count	0
84945	Hydrogen_Bond_Donor_Count	0
54079804	Isotope_Atom_Count	0
1652	Defined_Bond_Stereo_Count	0
24864718	Exact_Mass	487.1065616
139020	Undefined_Bond_Stereo_Count	0
68876	Defined_Atom_Stereo_Count	0
121410806	Structure_Complexity	746
690109	Total_Formal_Charge	0
29863	Rotatable_Bond_Count	2
4055	Undefined_Atom_Stereo_Count	0
3206	Hydrogen_Bond_Acceptor_Count	5
8209	Molecular_Weight	214.39
102891	Structure_Complexity	388
168379	Rotatable_Bond_Count	6
3246495	TPSA	142
69834	Hydrogen_Bond_Donor_Count	0
10295970	Structure_Complexity	523
25271812	Hydrogen_Bond_Acceptor_Count	2
12720825	Covalent_Unit_Count	1
86767860	Rotatable_Bond_Count	1
87927	Rotatable_Bond_Count	4
8748	Hydrogen_Bond_Acceptor_Count	1
131839562	Undefined_Atom_Stereo_Count	2
575101	Covalent_Unit_Count	1
675533	Exact_Mass	283.09569129
14337609	XLogP3-AA	0.9
49862461	Hydrogen_Bond_Donor_Count	1
4149208	Mono_Isotopic_Weight	199.169804972
34695	Exact_Mass	106.078250319
490	Exact_Mass	123.99254563
61141	Isotope_Atom_Count	0
67500	Exact_Mass	135.01427034
131125742	Hydrogen_Bond_Donor_Count	1
93303	Defined_Bond_Stereo_Count	0
136920818	Total_Formal_Charge	0
3609	Total_Formal_Charge	0
23724817	Rotatable_Bond_Count	12
5317112	Structure_Complexity	457
25293	Defined_Atom_Stereo_Count	0
7142	XLogP3-AA	7.5
24785025	Defined_Atom_Stereo_Count	0
10974	Tautomer_Count	1
15702065	TPSA	37.3
3081078	TPSA	23.6
5104	Rotatable_Bond_Count	1
62963	Undefined_Bond_Stereo_Count	0
135473834	Non-hydrogen_Atom_Count	33
85909569	Defined_Bond_Stereo_Count	0
177870	Exact_Mass	341.875353
23674215	Hydrogen_Bond_Donor_Count	1
3498	Hydrogen_Bond_Acceptor_Count	4
78494	Exact_Mass	136.052429494
6433095	Isotope_Atom_Count	0
70933	Defined_Bond_Stereo_Count	0
10496498	Tautomer_Count	1
27234	Isotope_Atom_Count	0
7428	Undefined_Atom_Stereo_Count	0
852933	XLogP3-AA	2.2
4053	Structure_Complexity	265
61585	XLogP3-AA	5
54151808	Mono_Isotopic_Weight	114.104465066
7553	XLogP3-AA	0.4
5359	Undefined_Atom_Stereo_Count	1
22061818	TPSA	52.9
15940870	Exact_Mass	232.109944368
82362	Mono_Isotopic_Weight	684.06850721
37612	XLogP3-AA	5.1
6441388	Undefined_Atom_Stereo_Count	0
7030	Hydrogen_Bond_Donor_Count	0
64992857	Molecular_Weight	113.16
122844	Exact_Mass	454.34469533
6948	Isotope_Atom_Count	0
2691	TPSA	198
706	Hydrogen_Bond_Acceptor_Count	7
42079	TPSA	32.3
637939	Molecular_Weight	98.14
57417192	Hydrogen_Bond_Donor_Count	7
21889836	Defined_Bond_Stereo_Count	0
12899069	Covalent_Unit_Count	1
141466486	Molecular_Weight	98.10
15132	Non-hydrogen_Atom_Count	11
86018330	Undefined_Atom_Stereo_Count	0
88789571	Defined_Bond_Stereo_Count	0
2734233	TPSA	8.8
5246258	Molecular_Weight	108.16
56841558	Isotope_Atom_Count	0
5771	TPSA	450
6453851	Total_Formal_Charge	1
71305034	Structure_Complexity	636
3365553	Exact_Mass	87.068413911
79472	Molecular_Weight	445.3
66908762	XLogP3-AA	1.7
613365	Defined_Atom_Stereo_Count	0
31075	Non-hydrogen_Atom_Count	22
44339089	Molecular_Weight	496.7
1669	Tautomer_Count	5
5231234	Covalent_Unit_Count	1
677105	Covalent_Unit_Count	1
53846425	Hydrogen_Bond_Donor_Count	3
501640	Molecular_Weight	289.41
16666708	Structure_Complexity	596
7363	Total_Formal_Charge	0
24946799	Molecular_Weight	405.6
4345	Total_Formal_Charge	0
44145008	Molecular_Weight	146.23
3086618	Undefined_Atom_Stereo_Count	0
139088049	Mono_Isotopic_Weight	683.203529
44308032	Non-hydrogen_Atom_Count	27
5702073	Undefined_Atom_Stereo_Count	2
445375	Non-hydrogen_Atom_Count	9
86231890	Molecular_Weight	110.15
2763275	Mono_Isotopic_Weight	110.059246208
6918678	Mono_Isotopic_Weight	361.12738533
7180	Hydrogen_Bond_Acceptor_Count	3
12607584	Hydrogen_Bond_Acceptor_Count	2
5284585	Isotope_Atom_Count	0
86873	Defined_Bond_Stereo_Count	0
292661	TPSA	104
7684	Undefined_Atom_Stereo_Count	0
164006	Undefined_Atom_Stereo_Count	1
8223	TPSA	118
13302066	TPSA	40.5
71496458	Isotope_Atom_Count	0
92764	Molecular_Weight	254.3
445382	Defined_Atom_Stereo_Count	5
45380694	TPSA	91
6279	Covalent_Unit_Count	1
5287855	Hydrogen_Bond_Acceptor_Count	7
8667	Hydrogen_Bond_Donor_Count	1
7778	Molecular_Weight	184.27
55804	Tautomer_Count	3
33137	Rotatable_Bond_Count	2
160765	Molecular_Weight	120.17
41478	Exact_Mass	406.04637137
17672	Undefined_Bond_Stereo_Count	0
20137	Total_Formal_Charge	0
98097	Mono_Isotopic_Weight	226.099379685
57773	Hydrogen_Bond_Acceptor_Count	3
65332	Rotatable_Bond_Count	6
102058611	XLogP3	2.7
642240	Rotatable_Bond_Count	2
166652	Non-hydrogen_Atom_Count	7
439178	Covalent_Unit_Count	1
10034579	Total_Formal_Charge	0
1069125	Defined_Bond_Stereo_Count	0
198243	Defined_Bond_Stereo_Count	0
49787020	Hydrogen_Bond_Acceptor_Count	17
10672195	Hydrogen_Bond_Acceptor_Count	4
16219	Isotope_Atom_Count	0
70700401	Non-hydrogen_Atom_Count	20
9854073	Molecular_Weight	835.9
6066	Defined_Bond_Stereo_Count	0
57395613	XLogP3-AA	4.2
70689444	Rotatable_Bond_Count	2
5748361	Rotatable_Bond_Count	9
68321915	Non-hydrogen_Atom_Count	25
7835	Molecular_Weight	92.52
9865223	Total_Formal_Charge	0
2119	Rotatable_Bond_Count	8
23003869	Hydrogen_Bond_Donor_Count	0
14800	Tautomer_Count	1
441113	XLogP3-AA	1.8
22833547	Covalent_Unit_Count	1
129721137	Isotope_Atom_Count	0
61900360	Exact_Mass	113.058911855
6140	Covalent_Unit_Count	1
185460	Hydrogen_Bond_Acceptor_Count	5
84647649	Non-hydrogen_Atom_Count	8
11476171	Covalent_Unit_Count	1
33463	Tautomer_Count	2
18410493	Undefined_Bond_Stereo_Count	0
67849	Undefined_Bond_Stereo_Count	0
14815775	Defined_Bond_Stereo_Count	0
5288494	Isotope_Atom_Count	0
8481	Covalent_Unit_Count	1
41257	Tautomer_Count	1
20511	Isotope_Atom_Count	0
5896	Defined_Atom_Stereo_Count	0
44719547	Defined_Bond_Stereo_Count	0
60209141	Hydrogen_Bond_Donor_Count	4
9541	Rotatable_Bond_Count	8
25102937	Hydrogen_Bond_Acceptor_Count	12
66026334	Rotatable_Bond_Count	3
527511	Undefined_Atom_Stereo_Count	0
66184	Isotope_Atom_Count	0
7020337	Mono_Isotopic_Weight	477.09994880
79323705	Molecular_Weight	112.17
448513	Defined_Bond_Stereo_Count	0
131966764	Mono_Isotopic_Weight	180.06338810
266934	Hydrogen_Bond_Donor_Count	5
88051007	Covalent_Unit_Count	1
139585898	Total_Formal_Charge	0
27350	Defined_Bond_Stereo_Count	0
260495	Hydrogen_Bond_Acceptor_Count	2
219081	Defined_Bond_Stereo_Count	0
4683	Undefined_Bond_Stereo_Count	0
107751	XLogP3-AA	3.3
138471783	Rotatable_Bond_Count	3
12018	Tautomer_Count	1
601	TPSA	92.4
71478	Molecular_Weight	313.9
11590255	Total_Formal_Charge	0
13315542	Hydrogen_Bond_Donor_Count	0
6914657	XLogP3-AA	3.7
2164	Non-hydrogen_Atom_Count	16
5353510	XLogP3	0
23279022	Hydrogen_Bond_Donor_Count	2
3831985	Non-hydrogen_Atom_Count	31
23083536	Defined_Bond_Stereo_Count	0
9255	Covalent_Unit_Count	1
133635911	Total_Formal_Charge	0
58560	Hydrogen_Bond_Acceptor_Count	3
74823	Covalent_Unit_Count	1
158691271	Exact_Mass	110.059246208
4122	Covalent_Unit_Count	1
650960	Undefined_Bond_Stereo_Count	0
135392570	Molecular_Weight	81.12
201382	Undefined_Bond_Stereo_Count	0
3847	Structure_Complexity	224
11007862	Defined_Bond_Stereo_Count	0
52921770	Mono_Isotopic_Weight	296.271530387
63181514	Defined_Bond_Stereo_Count	0
10839	Defined_Bond_Stereo_Count	0
58436	Total_Formal_Charge	0
12347357	Structure_Complexity	98.7
2721	Undefined_Atom_Stereo_Count	0
85864806	Total_Formal_Charge	0
91772	Isotope_Atom_Count	0
559	Rotatable_Bond_Count	4
12604	Rotatable_Bond_Count	10
19070	Structure_Complexity	52.8
67112	Non-hydrogen_Atom_Count	15
15504	TPSA	0
54177139	Hydrogen_Bond_Acceptor_Count	2
40960	Isotope_Atom_Count	0
72214	Mono_Isotopic_Weight	251.10183929
5948958	XLogP3-AA	6.4
5280581	Undefined_Bond_Stereo_Count	0
9863672	Rotatable_Bond_Count	2
8033	Rotatable_Bond_Count	3
44426760	Defined_Bond_Stereo_Count	0
439950	Defined_Bond_Stereo_Count	0
8861	Molecular_Weight	109.13
14220	Undefined_Atom_Stereo_Count	1
784	Molecular_Weight	34.015
638088	Defined_Bond_Stereo_Count	1
51253	Isotope_Atom_Count	0
6786	Defined_Atom_Stereo_Count	0
22833317	Rotatable_Bond_Count	7
70691388	Tautomer_Count	1001
23332	Hydrogen_Bond_Acceptor_Count	5
73357753	TPSA	89
12842606	Non-hydrogen_Atom_Count	7
122767	Isotope_Atom_Count	0
58181522	TPSA	49.3
25271892	Undefined_Bond_Stereo_Count	0
5284361	Defined_Bond_Stereo_Count	0
144608711	Hydrogen_Bond_Donor_Count	1
24469	Undefined_Atom_Stereo_Count	1
76337	Non-hydrogen_Atom_Count	9
89364481	Mono_Isotopic_Weight	116.083729621
443157	Total_Formal_Charge	0
14976739	Hydrogen_Bond_Donor_Count	1
69388	Rotatable_Bond_Count	2
21660	Structure_Complexity	346
22833502	Total_Formal_Charge	0
9800339	Undefined_Atom_Stereo_Count	1
62504	Defined_Atom_Stereo_Count	0
20691	Hydrogen_Bond_Donor_Count	0
278	Molecular_Weight	141.02
110785	Defined_Atom_Stereo_Count	0
165685	Hydrogen_Bond_Acceptor_Count	5
158729741	Mono_Isotopic_Weight	125.04523368
135626366	Undefined_Atom_Stereo_Count	0
56665391	XLogP3-AA	4.8
88533	Tautomer_Count	1
11848	Defined_Bond_Stereo_Count	0
20531563	Defined_Atom_Stereo_Count	0
132549482	XLogP3-AA	9
6994151	Hydrogen_Bond_Acceptor_Count	2
12871376	Mono_Isotopic_Weight	111.068413911
7406	Undefined_Bond_Stereo_Count	0
9956	Exact_Mass	109.063997236
168299	Covalent_Unit_Count	3
18391	Rotatable_Bond_Count	1
2557	Mono_Isotopic_Weight	236.09094026
71300726	Isotope_Atom_Count	0
26470417	Molecular_Weight	342.30
1727	Undefined_Bond_Stereo_Count	0
20689	Rotatable_Bond_Count	6
7924	Isotope_Atom_Count	0
16052038	Mono_Isotopic_Weight	698.3862143
68862	TPSA	52.6
565082	Defined_Atom_Stereo_Count	0
88169351	Exact_Mass	320.07820726
19380118	TPSA	13.1
44556162	XLogP3-AA	6.2
23488	TPSA	26
32243	Covalent_Unit_Count	1
7308	Hydrogen_Bond_Acceptor_Count	3
89728	Undefined_Atom_Stereo_Count	0
443210	Covalent_Unit_Count	1
155713	XLogP3	0.8
572516	TPSA	25.8
702186	Defined_Bond_Stereo_Count	0
62669681	XLogP3-AA	1.6
118161592	Covalent_Unit_Count	1
71362	Non-hydrogen_Atom_Count	96
129845	Structure_Complexity	453
160606	XLogP3-AA	7.2
123991	Covalent_Unit_Count	1
71309	Isotope_Atom_Count	0
20431673	Covalent_Unit_Count	1
3532561	Undefined_Bond_Stereo_Count	0
125183302	Undefined_Atom_Stereo_Count	0
12346042	Structure_Complexity	43.7
44137674	Rotatable_Bond_Count	7
38666	Rotatable_Bond_Count	2
138122	Covalent_Unit_Count	1
24765256	Tautomer_Count	4
31204	Structure_Complexity	316
5367805	Structure_Complexity	106
4340561	Rotatable_Bond_Count	2
57363	Defined_Atom_Stereo_Count	7
3870203	Covalent_Unit_Count	1
71296969	Covalent_Unit_Count	2
1437838	Undefined_Bond_Stereo_Count	0
11480401	Undefined_Bond_Stereo_Count	0
3363	Defined_Bond_Stereo_Count	0
138772	Total_Formal_Charge	0
78723	Rotatable_Bond_Count	3
51042	Total_Formal_Charge	0
5068681	Defined_Atom_Stereo_Count	0
84098	Isotope_Atom_Count	0
162807	Rotatable_Bond_Count	0
165956322	Total_Formal_Charge	0
52945646	Rotatable_Bond_Count	5
69341756	Covalent_Unit_Count	1
24867465	Hydrogen_Bond_Donor_Count	3
94182	Undefined_Atom_Stereo_Count	1
56842108	Rotatable_Bond_Count	5
118705487	Hydrogen_Bond_Donor_Count	4
6659	Structure_Complexity	97.9
142	Mono_Isotopic_Weight	251.10183929
11722	Rotatable_Bond_Count	1
10034991	Total_Formal_Charge	0
59743	TPSA	84.9
118218024	Structure_Complexity	1720
6538897	Isotope_Atom_Count	0
25335	Mono_Isotopic_Weight	199.157228913
455742	Hydrogen_Bond_Acceptor_Count	12
57394213	Isotope_Atom_Count	0
19727	Isotope_Atom_Count	0
122130338	Total_Formal_Charge	0
2745	Defined_Atom_Stereo_Count	0
153241	Exact_Mass	452.16958450
19350299	Rotatable_Bond_Count	3
7667	Rotatable_Bond_Count	1
71743	Non-hydrogen_Atom_Count	23
124426477	Undefined_Bond_Stereo_Count	0
4722579	Undefined_Atom_Stereo_Count	0
3034394	Rotatable_Bond_Count	4
55255930	TPSA	12
98790	Defined_Atom_Stereo_Count	0
71225	Undefined_Bond_Stereo_Count	0
135565623	Structure_Complexity	3330
1549	Isotope_Atom_Count	0
284948	Defined_Bond_Stereo_Count	0
53739	Rotatable_Bond_Count	3
3544	Mono_Isotopic_Weight	251.07284784
5702160	Exact_Mass	337.04493627
5280460	Molecular_Weight	192.17
3459	Total_Formal_Charge	0
3413668	Mono_Isotopic_Weight	270.161979940
444614	Rotatable_Bond_Count	4
22058225	Undefined_Atom_Stereo_Count	2
601791	Hydrogen_Bond_Donor_Count	0
57558295	Hydrogen_Bond_Acceptor_Count	2
95763	Mono_Isotopic_Weight	245.0065981
11309487	Structure_Complexity	127
5159	Molecular_Weight	1259.4
19460	TPSA	0
65940	Undefined_Atom_Stereo_Count	0
7351	Undefined_Bond_Stereo_Count	0
91750	Isotope_Atom_Count	0
152986859	Covalent_Unit_Count	1
164631	Defined_Atom_Stereo_Count	1
4909	Mono_Isotopic_Weight	218.105527694
44251425	Defined_Atom_Stereo_Count	1
123591	Exact_Mass	720
20859	Undefined_Atom_Stereo_Count	0
6078	Undefined_Atom_Stereo_Count	0
46552	Defined_Bond_Stereo_Count	0
7131616	TPSA	41.1
8912	Total_Formal_Charge	0
141343693	Molecular_Weight	113.16
812042	Non-hydrogen_Atom_Count	26
67371	Total_Formal_Charge	0
101116130	Mono_Isotopic_Weight	108.032362755
66587032	Mono_Isotopic_Weight	424.09431117
5711036	Exact_Mass	179.05171847
28037	Undefined_Atom_Stereo_Count	0
10203245	Structure_Complexity	574
77	Covalent_Unit_Count	1
16220015	Non-hydrogen_Atom_Count	26
162344865	Covalent_Unit_Count	2
15667210	Total_Formal_Charge	0
131411056	Mono_Isotopic_Weight	108.068748264
2770166	Non-hydrogen_Atom_Count	8
208922	TPSA	6.5
809629	Defined_Bond_Stereo_Count	0
153577917	Non-hydrogen_Atom_Count	8
101136808	Undefined_Bond_Stereo_Count	0
57784	Defined_Bond_Stereo_Count	0
23216963	Rotatable_Bond_Count	2
16220011	Hydrogen_Bond_Donor_Count	1
260809	Rotatable_Bond_Count	0
156320	Exact_Mass	343.1550360
6438895	Covalent_Unit_Count	1
126	Structure_Complexity	93.1
52949543	Hydrogen_Bond_Acceptor_Count	8
76013	Total_Formal_Charge	0
11267	Hydrogen_Bond_Donor_Count	3
16719	Covalent_Unit_Count	1
68510675	Hydrogen_Bond_Acceptor_Count	6
164	Defined_Atom_Stereo_Count	0
21638785	Mono_Isotopic_Weight	263.0825398
11979418	Defined_Atom_Stereo_Count	13
96284	Total_Formal_Charge	0
7943	Defined_Bond_Stereo_Count	0
143047391	Mono_Isotopic_Weight	87.068413911
75091	Defined_Bond_Stereo_Count	0
115219	TPSA	137
11153672	Covalent_Unit_Count	1
12256	Covalent_Unit_Count	1
154104	Structure_Complexity	499
6413	Isotope_Atom_Count	0
140934984	TPSA	0
10219398	Total_Formal_Charge	0
131159598	Mono_Isotopic_Weight	112.088815002
10017965	TPSA	62.3
11344211	XLogP3-AA	3.3
35407	Hydrogen_Bond_Acceptor_Count	2
21093784	XLogP3-AA	2.7
704233	Isotope_Atom_Count	0
78557	Hydrogen_Bond_Donor_Count	0
75460	Total_Formal_Charge	0
11504350	Exact_Mass	505.2132196
5288845	Undefined_Bond_Stereo_Count	0
101640759	Rotatable_Bond_Count	6
127748	Mono_Isotopic_Weight	386.09027155
3058737	Non-hydrogen_Atom_Count	39
52939724	Exact_Mass	480.15239891
54681623	Defined_Atom_Stereo_Count	0
77888	Isotope_Atom_Count	0
45116605	Undefined_Bond_Stereo_Count	0
114801	Mono_Isotopic_Weight	116.083729621
2762921	Total_Formal_Charge	0
15723	Defined_Atom_Stereo_Count	0
762788	Undefined_Bond_Stereo_Count	0
129627923	Exact_Mass	271.99333348
622606	Undefined_Bond_Stereo_Count	0
6433951	Undefined_Atom_Stereo_Count	0
62661	Tautomer_Count	1
82789	Undefined_Atom_Stereo_Count	0
38895	Molecular_Weight	636.9
6458	Mono_Isotopic_Weight	294.0631547
12298	Covalent_Unit_Count	1
18730046	Defined_Bond_Stereo_Count	0
95770	Total_Formal_Charge	0
19016756	Hydrogen_Bond_Donor_Count	3
141282030	Undefined_Bond_Stereo_Count	0
18518868	Isotope_Atom_Count	0
12600	Hydrogen_Bond_Donor_Count	6
40605	Rotatable_Bond_Count	3
9570290	XLogP3	4.4
9853053	Undefined_Bond_Stereo_Count	0
10472	Rotatable_Bond_Count	22
135121698	Molecular_Weight	104.07
135436538	Rotatable_Bond_Count	4
38302	Undefined_Bond_Stereo_Count	0
62999	Tautomer_Count	1
18757800	Non-hydrogen_Atom_Count	10
21576	Undefined_Atom_Stereo_Count	0
101130	Rotatable_Bond_Count	0
21622656	Hydrogen_Bond_Donor_Count	2
2354	Exact_Mass	281.13889351
71300746	TPSA	121
6992027	Mono_Isotopic_Weight	433.21138974
638793	Mono_Isotopic_Weight	1181.57302551
5414	TPSA	57.2
33606	Structure_Complexity	234
3081362	Tautomer_Count	970
157568	TPSA	26.3
143946	Hydrogen_Bond_Donor_Count	0
491941	Rotatable_Bond_Count	5
145705715	Undefined_Bond_Stereo_Count	2
44462786	Hydrogen_Bond_Donor_Count	1
49865973	Undefined_Atom_Stereo_Count	0
52129	Exact_Mass	411.1367991
20149888	Undefined_Atom_Stereo_Count	0
57825229	Defined_Bond_Stereo_Count	0
449015	Hydrogen_Bond_Acceptor_Count	4
101906815	Hydrogen_Bond_Donor_Count	0
972505	Hydrogen_Bond_Acceptor_Count	6
23670359	Structure_Complexity	377
625469	TPSA	151
54682463	Total_Formal_Charge	0
21531	Tautomer_Count	1
68323	Hydrogen_Bond_Acceptor_Count	1
23103	Undefined_Atom_Stereo_Count	0
10486803	Undefined_Bond_Stereo_Count	0
71398	Covalent_Unit_Count	1
5464924	Defined_Bond_Stereo_Count	0
18736805	Hydrogen_Bond_Acceptor_Count	3
629	Structure_Complexity	783
57403932	Isotope_Atom_Count	0
13718	Mono_Isotopic_Weight	221.141578849
116047519	Mono_Isotopic_Weight	113.084063974
9904	Total_Formal_Charge	0
14869	TPSA	49.3
665063	Non-hydrogen_Atom_Count	25
11182	Undefined_Bond_Stereo_Count	0
1018	Total_Formal_Charge	0
117072582	Molecular_Weight	358.5
62374	Structure_Complexity	246
129853	Undefined_Atom_Stereo_Count	1
163613625	Defined_Bond_Stereo_Count	0
3033928	Structure_Complexity	478
9818	Hydrogen_Bond_Acceptor_Count	6
517273	Isotope_Atom_Count	0
11705141	Defined_Bond_Stereo_Count	0
163285375	Rotatable_Bond_Count	7
36890	Exact_Mass	371.14812078
14181	Covalent_Unit_Count	1
6652	Undefined_Atom_Stereo_Count	1
26049	Total_Formal_Charge	0
20605384	Mono_Isotopic_Weight	96.057514874
12607584	Undefined_Bond_Stereo_Count	0
18698	Rotatable_Bond_Count	3
159652940	Non-hydrogen_Atom_Count	6
7807	TPSA	26
3641725	Total_Formal_Charge	0
162747	Tautomer_Count	1
50878565	Isotope_Atom_Count	0
930	Exact_Mass	745.09110351
104904	Mono_Isotopic_Weight	199.12084340
53835276	Covalent_Unit_Count	1
163698895	XLogP3-AA	0
6992563	Tautomer_Count	4
5329020	Hydrogen_Bond_Acceptor_Count	8
628370	Undefined_Atom_Stereo_Count	0
29138	Structure_Complexity	409
556836	Non-hydrogen_Atom_Count	7
2216	TPSA	62.4
111509	Exact_Mass	88.052429494
66359	Undefined_Atom_Stereo_Count	0
637997	Hydrogen_Bond_Donor_Count	1
54292	Mono_Isotopic_Weight	320.120115130
4226	Covalent_Unit_Count	1
17392	Rotatable_Bond_Count	7
66156	Total_Formal_Charge	0
44626421	Non-hydrogen_Atom_Count	49
13242839	Total_Formal_Charge	0
443945	Tautomer_Count	1
5311308	Undefined_Bond_Stereo_Count	0
12817960	Molecular_Weight	98.14
20449	Defined_Bond_Stereo_Count	0
4106	Undefined_Bond_Stereo_Count	0
5284607	Structure_Complexity	696
118285	Hydrogen_Bond_Donor_Count	2
12557376	Structure_Complexity	42.8
57228285	TPSA	65.2
60196360	Undefined_Atom_Stereo_Count	1
60196434	Covalent_Unit_Count	1
24848271	XLogP3-AA	3.7
10426	Undefined_Bond_Stereo_Count	0
390986	Isotope_Atom_Count	0
3180466	Defined_Atom_Stereo_Count	0
2394	Structure_Complexity	2300
145454105	TPSA	193
21955784	Exact_Mass	158.048012819
93004	Non-hydrogen_Atom_Count	12
49769064	Undefined_Atom_Stereo_Count	5
49806720	Defined_Atom_Stereo_Count	0
9870843	Defined_Atom_Stereo_Count	2
624748	Rotatable_Bond_Count	0
10953595	Defined_Bond_Stereo_Count	0
443879	Tautomer_Count	90
5324489	Molecular_Weight	100.16
82650923	Hydrogen_Bond_Donor_Count	0
107970	Mono_Isotopic_Weight	307.251129295
9202	Undefined_Atom_Stereo_Count	0
2463138	Non-hydrogen_Atom_Count	7
88861581	XLogP3-AA	1.2
71453559	Undefined_Atom_Stereo_Count	0
8754	Structure_Complexity	240
135438121	TPSA	50.7
27581	Defined_Bond_Stereo_Count	0
4686860	Defined_Atom_Stereo_Count	0
446155	Non-hydrogen_Atom_Count	30
6438149	Hydrogen_Bond_Acceptor_Count	6
544701	Molecular_Weight	100.16
23029	TPSA	0
1512518	Rotatable_Bond_Count	0
4369524	Non-hydrogen_Atom_Count	21
136891	Structure_Complexity	127
90877284	Isotope_Atom_Count	0
68079	Rotatable_Bond_Count	2
10698	XLogP3-AA	2.7
10080333	Molecular_Weight	100.16
54680694	Molecular_Weight	527.6
156369283	Exact_Mass	196.146329876
129664081	Isotope_Atom_Count	0
23080870	Rotatable_Bond_Count	2
11582651	Molecular_Weight	425.4
21026729	Exact_Mass	88.100048391
15806	TPSA	49.3
53318410	Hydrogen_Bond_Acceptor_Count	3
9205	Non-hydrogen_Atom_Count	13
153534619	Hydrogen_Bond_Acceptor_Count	2
11983362	TPSA	76.2
65679	Isotope_Atom_Count	0
208	Undefined_Atom_Stereo_Count	5
31954	Mono_Isotopic_Weight	194.094294304
57250923	Molecular_Weight	110.15
45266503	Structure_Complexity	419
676030	Covalent_Unit_Count	1
10462	Hydrogen_Bond_Donor_Count	2
442965	Tautomer_Count	1
35740	Mono_Isotopic_Weight	1287.5856
6918049	Hydrogen_Bond_Donor_Count	1
7041	Structure_Complexity	104
91145327	Isotope_Atom_Count	0
16760	TPSA	50.7
18410493	Defined_Atom_Stereo_Count	0
15239355	Isotope_Atom_Count	0
68938028	XLogP3-AA	4.2
13045210	Undefined_Bond_Stereo_Count	0
6971096	Undefined_Bond_Stereo_Count	0
439213	Covalent_Unit_Count	1
21271257	Defined_Atom_Stereo_Count	0
22636846	Undefined_Bond_Stereo_Count	0
16129629	Tautomer_Count	998
23276	Defined_Bond_Stereo_Count	0
8901	Defined_Atom_Stereo_Count	0
9794218	Mono_Isotopic_Weight	200.04081944
8438	Mono_Isotopic_Weight	150.031694049
139064747	Structure_Complexity	456
139637653	Covalent_Unit_Count	1
13576	Mono_Isotopic_Weight	156.151415257
38911	Undefined_Atom_Stereo_Count	0
22678982	Hydrogen_Bond_Acceptor_Count	6
71387	Non-hydrogen_Atom_Count	28
1727	Undefined_Atom_Stereo_Count	0
10220851	Non-hydrogen_Atom_Count	18
2724100	Undefined_Bond_Stereo_Count	0
265776	Defined_Bond_Stereo_Count	0
11382	Rotatable_Bond_Count	3
118360945	XLogP3-AA	1.2
12132667	Isotope_Atom_Count	0
59050126	Hydrogen_Bond_Acceptor_Count	2
546946	Tautomer_Count	2
59295939	Defined_Atom_Stereo_Count	1
164563	Non-hydrogen_Atom_Count	17
133121364	Mono_Isotopic_Weight	181.06674293
17244	TPSA	17.1
9870652	XLogP3-AA	3.5
101988841	Hydrogen_Bond_Acceptor_Count	0
669019	TPSA	54.6
3532561	Undefined_Atom_Stereo_Count	0
12315	Defined_Atom_Stereo_Count	0
4846	Mono_Isotopic_Weight	308.04332136
123888456	Molecular_Weight	109.17
72943	Isotope_Atom_Count	0
64973752	Structure_Complexity	71.4
91693	Rotatable_Bond_Count	5
6474320	Tautomer_Count	998
7923	Undefined_Atom_Stereo_Count	0
62484	Isotope_Atom_Count	0
11520	Mono_Isotopic_Weight	116.120115130
1006	Undefined_Atom_Stereo_Count	2
130113566	Defined_Atom_Stereo_Count	0
86063	Undefined_Atom_Stereo_Count	1
28876	Defined_Atom_Stereo_Count	0
9823	Undefined_Bond_Stereo_Count	0
46244883	Defined_Bond_Stereo_Count	0
20555317	TPSA	49.5
6473741	Total_Formal_Charge	0
7185	Covalent_Unit_Count	1
70685697	Total_Formal_Charge	0
74470	TPSA	55.8
44445686	Molecular_Weight	416.6
3588	Structure_Complexity	634
93301	Total_Formal_Charge	0
821629	Tautomer_Count	1
22224160	Exact_Mass	106.078250319
66755	Exact_Mass	138.068079557
5778	Isotope_Atom_Count	0
145937	Non-hydrogen_Atom_Count	27
12386877	Isotope_Atom_Count	0
290670	Undefined_Atom_Stereo_Count	8
6452419	Molecular_Weight	322.9
54880	XLogP3	5.6
11083832	Undefined_Atom_Stereo_Count	0
169110	Undefined_Bond_Stereo_Count	0
11769	XLogP3	3.9
317457	Mono_Isotopic_Weight	112.088815002
121235530	Structure_Complexity	7640
153655135	Isotope_Atom_Count	0
21161643	Undefined_Bond_Stereo_Count	0
101321425	Undefined_Atom_Stereo_Count	1
2778339	Isotope_Atom_Count	0
123716071	Hydrogen_Bond_Acceptor_Count	1
219601	Undefined_Atom_Stereo_Count	1
183	Undefined_Bond_Stereo_Count	10
12443366	Undefined_Atom_Stereo_Count	0
10297818	Structure_Complexity	552
67955	Undefined_Bond_Stereo_Count	0
12243	Non-hydrogen_Atom_Count	6
1640	Structure_Complexity	166
20431673	Undefined_Atom_Stereo_Count	1
44520	Mono_Isotopic_Weight	224.201439453
3047751	Mono_Isotopic_Weight	309.12257474
34696	Non-hydrogen_Atom_Count	8
29878	Defined_Bond_Stereo_Count	0
10378	Structure_Complexity	185
20119162	Hydrogen_Bond_Donor_Count	2
49750	Hydrogen_Bond_Donor_Count	1
9895194	Defined_Bond_Stereo_Count	0
71356554	Defined_Atom_Stereo_Count	1
10434	Non-hydrogen_Atom_Count	8
61029	Structure_Complexity	366
8432	Structure_Complexity	160
42586	TPSA	55.8
29228	Structure_Complexity	172
3327	Mono_Isotopic_Weight	222.198365449
29385	Mono_Isotopic_Weight	102.128274515
12293	Structure_Complexity	99.7
688311	Exact_Mass	243.95352
90476955	TPSA	0
10176241	Rotatable_Bond_Count	0
9964065	Defined_Atom_Stereo_Count	0
994360	XLogP3-AA	3.4
58190401	Undefined_Atom_Stereo_Count	0
73648	Undefined_Atom_Stereo_Count	0
12231	Undefined_Bond_Stereo_Count	0
76398	Structure_Complexity	82.2
14195	Hydrogen_Bond_Acceptor_Count	2
24041599	Structure_Complexity	642
170832	Undefined_Bond_Stereo_Count	0
60196290	Rotatable_Bond_Count	10
55289397	Hydrogen_Bond_Donor_Count	2
69698	Rotatable_Bond_Count	1
3641	Exact_Mass	404.21988874
12518095	Defined_Atom_Stereo_Count	0
46936422	Molecular_Weight	867.1
96264	Exact_Mass	168.05349212
11870427	Undefined_Bond_Stereo_Count	0
25202592	Molecular_Weight	129.16
11722	Structure_Complexity	42.9
57514685	Exact_Mass	684.01028135
59886072	TPSA	110
164610	Total_Formal_Charge	0
5359227	Mono_Isotopic_Weight	397.12903910
42761	XLogP3	3.7
83156	Defined_Atom_Stereo_Count	0
62328	Rotatable_Bond_Count	4
11355464	Undefined_Atom_Stereo_Count	1
56769	Tautomer_Count	1
9548889	Defined_Atom_Stereo_Count	0
76092	Undefined_Bond_Stereo_Count	0
1021	Covalent_Unit_Count	1
80603	Molecular_Weight	201.69
124838013	Non-hydrogen_Atom_Count	59
13861740	Mono_Isotopic_Weight	128.00851382
14257662	Total_Formal_Charge	0
21192814	Hydrogen_Bond_Acceptor_Count	4
5281088	Undefined_Atom_Stereo_Count	0
9912474	Mono_Isotopic_Weight	468.20490738
5282321	Non-hydrogen_Atom_Count	42
129010024	Undefined_Atom_Stereo_Count	0
20448997	Hydrogen_Bond_Acceptor_Count	3
21681979	Molecular_Weight	114.10
134694146	Defined_Atom_Stereo_Count	6
5311312	TPSA	485
62436	Hydrogen_Bond_Donor_Count	0
700865	XLogP3-AA	3.3
122639	Structure_Complexity	1610
76519	Isotope_Atom_Count	0
12062	TPSA	89.3
44249711	Isotope_Atom_Count	0
59295926	TPSA	87.6
20118	Tautomer_Count	2
79809	Undefined_Bond_Stereo_Count	0
91022475	Non-hydrogen_Atom_Count	8
75184787	Defined_Bond_Stereo_Count	0
49853507	Covalent_Unit_Count	2
41212	Total_Formal_Charge	0
62343	Exact_Mass	170.130679813
85843728	Hydrogen_Bond_Donor_Count	0
76223	Hydrogen_Bond_Acceptor_Count	6
907	Hydrogen_Bond_Donor_Count	3
7152	Exact_Mass	177.06372245
59296066	Molecular_Weight	487.9
5497186	Defined_Atom_Stereo_Count	4
54003766	Defined_Bond_Stereo_Count	0
16990	Undefined_Bond_Stereo_Count	0
34192	Undefined_Atom_Stereo_Count	0
656603	Total_Formal_Charge	1
55400	XLogP3-AA	8.6
36688209	Rotatable_Bond_Count	7
5284530	Hydrogen_Bond_Donor_Count	3
25314	Molecular_Weight	291.8
7456	Structure_Complexity	136
762788	Undefined_Atom_Stereo_Count	0
20035	Total_Formal_Charge	0
10047045	Mono_Isotopic_Weight	408.20490738
398640	Molecular_Weight	327.3
12536	Non-hydrogen_Atom_Count	30
2775	Defined_Bond_Stereo_Count	0
162071	Isotope_Atom_Count	0
71484	Molecular_Weight	606.6
6595	Defined_Atom_Stereo_Count	0
69536	Hydrogen_Bond_Acceptor_Count	16
41980	Structure_Complexity	296
10820486	Structure_Complexity	177
21917771	Hydrogen_Bond_Acceptor_Count	2
75840	Hydrogen_Bond_Donor_Count	2
57398254	Undefined_Bond_Stereo_Count	0
137281577	Total_Formal_Charge	0
54006055	Exact_Mass	243.162314293
122877	Structure_Complexity	1110
8718	Isotope_Atom_Count	0
5492898	Total_Formal_Charge	0
898	Exact_Mass	301.05626809
9901	Hydrogen_Bond_Acceptor_Count	2
135409474	Exact_Mass	316.04775529
12598086	Hydrogen_Bond_Donor_Count	5
56928061	Defined_Bond_Stereo_Count	0
10240772	Molecular_Weight	101.10
2734225	Tautomer_Count	1
68465774	Molecular_Weight	138.12
72253	Total_Formal_Charge	0
123959	Isotope_Atom_Count	0
4369445	Hydrogen_Bond_Acceptor_Count	12
165079254	Defined_Atom_Stereo_Count	0
10931404	Mono_Isotopic_Weight	114.068079557
127150	TPSA	103
5222465	Total_Formal_Charge	0
40550	Defined_Atom_Stereo_Count	0
12389634	Undefined_Bond_Stereo_Count	0
67258456	Mono_Isotopic_Weight	111.006876283
9871	Hydrogen_Bond_Acceptor_Count	4
13006129	Defined_Atom_Stereo_Count	4
33775	Isotope_Atom_Count	0
91315907	Mono_Isotopic_Weight	97.089149355
73554303	Defined_Atom_Stereo_Count	0
1715135	Defined_Bond_Stereo_Count	1
431249	Exact_Mass	379.193614421
3045414	Exact_Mass	243.1026065
24978538	XLogP3-AA	9.6
67374621	Undefined_Atom_Stereo_Count	0
3017748	Molecular_Weight	191.12
73707358	Isotope_Atom_Count	0
130152397	Exact_Mass	112.052429494
10953798	Structure_Complexity	0
7831	Defined_Bond_Stereo_Count	0
21863610	Structure_Complexity	88.7
70697507	Total_Formal_Charge	0
184495	Molecular_Weight	295.3
145994360	Hydrogen_Bond_Acceptor_Count	11
91738	Hydrogen_Bond_Donor_Count	1
11549937	Structure_Complexity	1750
233240	Molecular_Weight	162.15
3627	Defined_Atom_Stereo_Count	0
13199930	Hydrogen_Bond_Acceptor_Count	2
10022229	Defined_Bond_Stereo_Count	0
32438	Mono_Isotopic_Weight	124.088815002
538972	Undefined_Atom_Stereo_Count	0
22057915	XLogP3-AA	0.5
450268	Hydrogen_Bond_Acceptor_Count	4
57136075	Molecular_Weight	97.16
89735852	Covalent_Unit_Count	1
8396	Undefined_Atom_Stereo_Count	0
66700172	Mono_Isotopic_Weight	116.083729621
4274588	Rotatable_Bond_Count	1
12242918	Mono_Isotopic_Weight	24.064197125
10154017	Non-hydrogen_Atom_Count	7
59999797	Defined_Atom_Stereo_Count	0
9935073	Non-hydrogen_Atom_Count	32
6337677	Exact_Mass	330.99455
156580566	Undefined_Atom_Stereo_Count	0
907991	Hydrogen_Bond_Acceptor_Count	5
12277679	Defined_Bond_Stereo_Count	0
13932	Total_Formal_Charge	0
96405	Mono_Isotopic_Weight	147.048427358
87237616	Defined_Atom_Stereo_Count	0
6850813	Total_Formal_Charge	0
5318591	Molecular_Weight	418.4
4009	Structure_Complexity	783
439587	Molecular_Weight	309.36
49050	Hydrogen_Bond_Acceptor_Count	3
908617	Undefined_Bond_Stereo_Count	0
12175949	Non-hydrogen_Atom_Count	29
32594	TPSA	35
18815	Non-hydrogen_Atom_Count	19
88706	Exact_Mass	318.0407345
3549980	TPSA	40.1
71785	Total_Formal_Charge	0
19802062	Exact_Mass	101.047678466
122360911	Hydrogen_Bond_Acceptor_Count	6
67233382	Hydrogen_Bond_Donor_Count	2
45375808	Undefined_Bond_Stereo_Count	0
62336	Hydrogen_Bond_Acceptor_Count	2
56955068	Undefined_Bond_Stereo_Count	0
9821217	Covalent_Unit_Count	1
72378	Isotope_Atom_Count	0
25244017	Molecular_Weight	336.34
58126	Non-hydrogen_Atom_Count	15
101042985	Hydrogen_Bond_Acceptor_Count	3
80792	Undefined_Atom_Stereo_Count	0
91667752	Hydrogen_Bond_Donor_Count	3
9524	Hydrogen_Bond_Donor_Count	0
134688043	Hydrogen_Bond_Acceptor_Count	12
9804496	Structure_Complexity	561
3494	Undefined_Bond_Stereo_Count	0
85307823	Total_Formal_Charge	0
427	Undefined_Atom_Stereo_Count	2
46231556	Defined_Atom_Stereo_Count	0
13134	Rotatable_Bond_Count	2
11788287	Undefined_Bond_Stereo_Count	0
10474	Hydrogen_Bond_Donor_Count	0
4541	Tautomer_Count	1
13101	Covalent_Unit_Count	1
71713793	Rotatable_Bond_Count	3
14970212	Rotatable_Bond_Count	0
8073	Hydrogen_Bond_Donor_Count	0
303892	Non-hydrogen_Atom_Count	18
5351	XLogP3-AA	1.2
24699	Undefined_Atom_Stereo_Count	1
13548212	XLogP3-AA	0.6
24901144	TPSA	119
54684337	Undefined_Bond_Stereo_Count	0
58436	Tautomer_Count	2
130028324	TPSA	61.1
49783923	Defined_Atom_Stereo_Count	2
28183	Structure_Complexity	340
6748	Mono_Isotopic_Weight	159.068413911
12867427	Structure_Complexity	82.2
16132316	Structure_Complexity	7850
10442928	XLogP3-AA	5
5727	Molecular_Weight	136.3
4744	Total_Formal_Charge	0
8834	Exact_Mass	212.177630004
14924483	Rotatable_Bond_Count	6
65287	Non-hydrogen_Atom_Count	16
219100	Defined_Bond_Stereo_Count	0
68464	XLogP3-AA	3.5
2471	Hydrogen_Bond_Acceptor_Count	7
9821383	Rotatable_Bond_Count	9
6443803	Undefined_Atom_Stereo_Count	0
5887	TPSA	31.8
3652	Rotatable_Bond_Count	9
5311093	Undefined_Bond_Stereo_Count	0
25778	Non-hydrogen_Atom_Count	20
153767626	TPSA	29.6
26093	Structure_Complexity	361
145391309	Mono_Isotopic_Weight	101.047678466
446066	Rotatable_Bond_Count	36
44395051	Hydrogen_Bond_Donor_Count	2
353481	Mono_Isotopic_Weight	495.16014201
167517	Rotatable_Bond_Count	5
6410734	Rotatable_Bond_Count	6
88283211	Hydrogen_Bond_Donor_Count	0
6484678	Undefined_Bond_Stereo_Count	0
134695356	TPSA	194
8079	Non-hydrogen_Atom_Count	6
893980	TPSA	48.2
11967800	Defined_Atom_Stereo_Count	0
14069226	XLogP3-AA	0.1
92444	Molecular_Weight	338.9
59073	Hydrogen_Bond_Acceptor_Count	3
721861	Rotatable_Bond_Count	5
3034022	Mono_Isotopic_Weight	770.26687344
21443942	Structure_Complexity	68.3
163201191	TPSA	21.6
3036443	Undefined_Atom_Stereo_Count	0
123561814	Defined_Bond_Stereo_Count	0
139338	Mono_Isotopic_Weight	64.0313001276
131842090	Covalent_Unit_Count	4
44755151	Hydrogen_Bond_Donor_Count	3
91936863	Undefined_Atom_Stereo_Count	0
117715670	Defined_Bond_Stereo_Count	0
3343	Structure_Complexity	310
12213229	Undefined_Atom_Stereo_Count	0
322968	Rotatable_Bond_Count	2
101605498	XLogP3	1
73	Non-hydrogen_Atom_Count	27
443310	Covalent_Unit_Count	1
33377	Structure_Complexity	76.2
344693	Undefined_Atom_Stereo_Count	1
108157	Molecular_Weight	524.7
15788279	Hydrogen_Bond_Acceptor_Count	2
17038	Exact_Mass	348.907860
208951	Undefined_Bond_Stereo_Count	0
63141	Tautomer_Count	4
64862	Defined_Bond_Stereo_Count	0
440918	Defined_Bond_Stereo_Count	0
4788452	Covalent_Unit_Count	1
397	Rotatable_Bond_Count	2
20299	Defined_Atom_Stereo_Count	0
17751002	Tautomer_Count	2
3082	TPSA	105
12966	Exact_Mass	202.12050905
1050	Total_Formal_Charge	0
16029	Tautomer_Count	1
99564	Molecular_Weight	137.18
35004	Hydrogen_Bond_Donor_Count	1
66409	Molecular_Weight	426.6
519103	Total_Formal_Charge	0
946793	Exact_Mass	324.14739250
45794	Defined_Bond_Stereo_Count	0
3839223	Hydrogen_Bond_Acceptor_Count	3
9823	Undefined_Atom_Stereo_Count	0
9911502	Mono_Isotopic_Weight	447.0689409
534439	Undefined_Bond_Stereo_Count	0
62529	Defined_Atom_Stereo_Count	0
9803963	Defined_Atom_Stereo_Count	0
9889867	Mono_Isotopic_Weight	448.21105539
7068	Tautomer_Count	3
6173	Rotatable_Bond_Count	2
13306871	Tautomer_Count	1
2440	Isotope_Atom_Count	0
67472	Mono_Isotopic_Weight	180.068748264
3140	Tautomer_Count	1
12386878	Defined_Bond_Stereo_Count	0
3082496	Non-hydrogen_Atom_Count	20
10715	Defined_Bond_Stereo_Count	0
3045335	Undefined_Atom_Stereo_Count	0
16131097	Isotope_Atom_Count	0
627	Rotatable_Bond_Count	5
31357	Mono_Isotopic_Weight	266.16469634
9955534	Hydrogen_Bond_Donor_Count	2
91758680	Defined_Bond_Stereo_Count	0
24839546	Mono_Isotopic_Weight	420.13550766
31863	Total_Formal_Charge	0
6369059	Defined_Atom_Stereo_Count	0
10709065	Covalent_Unit_Count	1
62881	Mono_Isotopic_Weight	656.34147767
5388879	Hydrogen_Bond_Acceptor_Count	2
12385252	Isotope_Atom_Count	0
54477013	Mono_Isotopic_Weight	704.53560641
81927	Hydrogen_Bond_Acceptor_Count	4
101603227	XLogP3-AA	6.1
1425	Non-hydrogen_Atom_Count	21
35740	TPSA	170
631468	Undefined_Atom_Stereo_Count	0
6387	Isotope_Atom_Count	0
10013505	Rotatable_Bond_Count	1
163090690	Rotatable_Bond_Count	11
7914	Structure_Complexity	33.4
68396089	Non-hydrogen_Atom_Count	8
721947	Exact_Mass	332.9838118
28446	Molecular_Weight	165.24
3062	Structure_Complexity	1450
556487	Defined_Bond_Stereo_Count	0
291	Total_Formal_Charge	1
77442	Rotatable_Bond_Count	13
26428	Isotope_Atom_Count	0
83679654	Rotatable_Bond_Count	1
439616	Exact_Mass	152.047344113
228006	Molecular_Weight	195.05
67556876	Total_Formal_Charge	0
60618	Mono_Isotopic_Weight	349.16779360
124085867	Undefined_Atom_Stereo_Count	0
445091	Hydrogen_Bond_Acceptor_Count	4
65456803	Molecular_Weight	100.16
6675	Molecular_Weight	515.7
92753	Hydrogen_Bond_Acceptor_Count	22
6419912	Hydrogen_Bond_Acceptor_Count	42
2284259	Defined_Bond_Stereo_Count	0
65564	Undefined_Atom_Stereo_Count	0
5311447	Non-hydrogen_Atom_Count	31
145305028	Structure_Complexity	86.1
59755609	Undefined_Atom_Stereo_Count	12
9961878	Molecular_Weight	719.6
15973	Mono_Isotopic_Weight	357.11134135
71304	Isotope_Atom_Count	0
23675747	Undefined_Bond_Stereo_Count	0
1101318	Hydrogen_Bond_Acceptor_Count	7
22341299	Hydrogen_Bond_Donor_Count	2
152997633	Undefined_Atom_Stereo_Count	0
123891134	Covalent_Unit_Count	1
95720	TPSA	79.8
134973	Undefined_Atom_Stereo_Count	2
243859	Isotope_Atom_Count	0
87671146	Hydrogen_Bond_Donor_Count	0
4554	Mono_Isotopic_Weight	317.93445
5486971	Covalent_Unit_Count	1
18728	TPSA	0
6604816	Defined_Atom_Stereo_Count	12
138370	XLogP3-AA	3.1
23540330	Hydrogen_Bond_Donor_Count	1
91442	Tautomer_Count	1
22627013	Rotatable_Bond_Count	1
11189402	Hydrogen_Bond_Acceptor_Count	8
75987414	Defined_Bond_Stereo_Count	0
54706667	Exact_Mass	203.03443370
107927	TPSA	78.8
444302	Hydrogen_Bond_Acceptor_Count	5
146018879	Non-hydrogen_Atom_Count	44
10931374	Non-hydrogen_Atom_Count	7
447966	Isotope_Atom_Count	0
5284533	Total_Formal_Charge	0
866	Defined_Atom_Stereo_Count	0
669846	Isotope_Atom_Count	0
443753	Hydrogen_Bond_Acceptor_Count	10
637593	Hydrogen_Bond_Acceptor_Count	1
121207552	Hydrogen_Bond_Acceptor_Count	1
91986	Hydrogen_Bond_Donor_Count	0
19604021	Undefined_Bond_Stereo_Count	0
90127741	Undefined_Bond_Stereo_Count	0
25137901	Exact_Mass	908.36010511
14008744	Mono_Isotopic_Weight	117.078978594
18506421	Covalent_Unit_Count	1
46238536	XLogP3-AA	4.2
71072113	Molecular_Weight	505.5
534132	Rotatable_Bond_Count	0
12462026	Covalent_Unit_Count	1
20497	Hydrogen_Bond_Donor_Count	3
118994155	Isotope_Atom_Count	0
453974	Rotatable_Bond_Count	0
10802	Isotope_Atom_Count	0
12556661	Molecular_Weight	124.22
89580	Molecular_Weight	88.11
17344	Molecular_Weight	257.5
4722579	XLogP3-AA	3
9846588	Structure_Complexity	573
5311047	Defined_Atom_Stereo_Count	2
9552071	Undefined_Bond_Stereo_Count	0
984456	Hydrogen_Bond_Donor_Count	2
139055434	Defined_Bond_Stereo_Count	0
24585	Defined_Bond_Stereo_Count	0
129628447	Defined_Bond_Stereo_Count	5
3045335	Defined_Atom_Stereo_Count	0
24473	Undefined_Atom_Stereo_Count	2
1364	Structure_Complexity	624
12542086	Defined_Bond_Stereo_Count	0
81480	Total_Formal_Charge	0
129655960	Total_Formal_Charge	0
40470	Defined_Atom_Stereo_Count	0
398700	Exact_Mass	560.03762
116021439	Non-hydrogen_Atom_Count	8
14819036	Defined_Bond_Stereo_Count	0
154734173	Undefined_Bond_Stereo_Count	0
694	Exact_Mass	122.048012819
411828	Covalent_Unit_Count	1
44457968	TPSA	84
25023856	Covalent_Unit_Count	1
9457	Defined_Atom_Stereo_Count	2
446284	XLogP3-AA	5.6
103544	Isotope_Atom_Count	0
66141	Rotatable_Bond_Count	1
968625	Mono_Isotopic_Weight	330.10381361
56840998	Exact_Mass	418.013115
398516	Exact_Mass	380.13069707
73755062	Defined_Bond_Stereo_Count	6
126961192	Undefined_Bond_Stereo_Count	0
52706	Tautomer_Count	2
5152	Molecular_Weight	415.6
38260	TPSA	192
39175	Undefined_Bond_Stereo_Count	0
156615	Tautomer_Count	2
24802109	Rotatable_Bond_Count	6
100915014	Structure_Complexity	207
20499147	Hydrogen_Bond_Acceptor_Count	2
9800285	Defined_Atom_Stereo_Count	1
82693	Total_Formal_Charge	0
96865	Hydrogen_Bond_Acceptor_Count	1
12738	Hydrogen_Bond_Donor_Count	0
733511	Isotope_Atom_Count	0
11434915	Total_Formal_Charge	0
123995	Molecular_Weight	740.2
8363	Undefined_Atom_Stereo_Count	0
11790	Total_Formal_Charge	0
475320	Mono_Isotopic_Weight	572.98649516
86582	Molecular_Weight	188.31
10276962	Undefined_Atom_Stereo_Count	0
49787489	Undefined_Bond_Stereo_Count	0
795875	Non-hydrogen_Atom_Count	20
78435478	TPSA	50.8
118142807	Exact_Mass	126.042927438
57286	Undefined_Bond_Stereo_Count	0
12002176	Total_Formal_Charge	0
136513	Defined_Bond_Stereo_Count	0
852	Covalent_Unit_Count	1
5462928	TPSA	0
91590871	Defined_Bond_Stereo_Count	0
10560335	Mono_Isotopic_Weight	208.0767261
86398	Rotatable_Bond_Count	1
1094	Hydrogen_Bond_Acceptor_Count	5
9898827	Exact_Mass	127.063328530
145721395	Exact_Mass	839.18163
131255	Defined_Atom_Stereo_Count	0
22404489	Covalent_Unit_Count	1
98266	Exact_Mass	130.135765193
2176	XLogP3	4
4823	Undefined_Bond_Stereo_Count	0
7311724	TPSA	67.8
19424352	Undefined_Bond_Stereo_Count	0
61098	Mono_Isotopic_Weight	210.161979940
154515463	Hydrogen_Bond_Donor_Count	1
199539	Defined_Bond_Stereo_Count	0
12004215	TPSA	487
2775003	Hydrogen_Bond_Acceptor_Count	2
20138187	Molecular_Weight	111.11
6432903	Rotatable_Bond_Count	5
9939298	Non-hydrogen_Atom_Count	46
66684067	XLogP3-AA	4.3
76956848	Total_Formal_Charge	0
114829	Exact_Mass	256.07355886
999	Non-hydrogen_Atom_Count	10
22986609	Defined_Atom_Stereo_Count	0
605283	Tautomer_Count	15
449435	Rotatable_Bond_Count	8
1652	Molecular_Weight	242.23
3083655	Tautomer_Count	2
11689	Tautomer_Count	5
20545753	Hydrogen_Bond_Donor_Count	3
66708587	Hydrogen_Bond_Acceptor_Count	3
39624	Molecular_Weight	353.8
50925625	Isotope_Atom_Count	0
10920463	Isotope_Atom_Count	0
169371	TPSA	219
4596191	Undefined_Atom_Stereo_Count	1
22385729	Defined_Atom_Stereo_Count	0
10702	Total_Formal_Charge	0
71681009	Total_Formal_Charge	0
7518	Mono_Isotopic_Weight	109.052763847
7048703	TPSA	97.2
543885	Structure_Complexity	66.4
807	TPSA	0
16071605	XLogP3-AA	4.3
138107735	TPSA	272
572802	Undefined_Bond_Stereo_Count	0
601577	Hydrogen_Bond_Acceptor_Count	2
16219944	Undefined_Atom_Stereo_Count	0
5464090	TPSA	159
60054	Tautomer_Count	1
14839575	Non-hydrogen_Atom_Count	17
101001463	Structure_Complexity	688
227260	Tautomer_Count	5
11748	XLogP3-AA	0
7612	Structure_Complexity	58.1
155292829	Hydrogen_Bond_Donor_Count	6
68289010	Mono_Isotopic_Weight	345.14504152
17676	Hydrogen_Bond_Donor_Count	1
6271688	Non-hydrogen_Atom_Count	36
136649	Structure_Complexity	113
174048	TPSA	93.1
86467	Defined_Atom_Stereo_Count	0
21788	XLogP3-AA	5.6
28896	Defined_Atom_Stereo_Count	0
3032325	Covalent_Unit_Count	1
9830667	Mono_Isotopic_Weight	629.32470541
7896	Defined_Atom_Stereo_Count	0
446495	Isotope_Atom_Count	0
118669896	Molecular_Weight	112.17
10996	Non-hydrogen_Atom_Count	7
89904392	Hydrogen_Bond_Acceptor_Count	3
2222	Covalent_Unit_Count	1
65014	Covalent_Unit_Count	9
170944	Hydrogen_Bond_Donor_Count	1
19920	Undefined_Bond_Stereo_Count	0
676242	TPSA	35.6
91497276	Hydrogen_Bond_Donor_Count	0
15189029	Isotope_Atom_Count	0
68009582	Defined_Bond_Stereo_Count	0
1434	Covalent_Unit_Count	1
80376	Non-hydrogen_Atom_Count	6
185617	Total_Formal_Charge	0
4184	Isotope_Atom_Count	0
53317503	Hydrogen_Bond_Acceptor_Count	7
18744	Covalent_Unit_Count	1
4913256	Undefined_Atom_Stereo_Count	0
10734	Tautomer_Count	1
75846	Undefined_Bond_Stereo_Count	0
96335	Isotope_Atom_Count	0
396765	Total_Formal_Charge	0
163468867	Mono_Isotopic_Weight	114.068079557
3086167	Undefined_Atom_Stereo_Count	0
30097	Molecular_Weight	562.6
13247016	Undefined_Bond_Stereo_Count	0
118701498	Mono_Isotopic_Weight	332.23514488
447877	Molecular_Weight	937.8
11317	Mono_Isotopic_Weight	156.093900383
63099	TPSA	0
11722	Non-hydrogen_Atom_Count	5
172285	TPSA	143
22464	Total_Formal_Charge	0
92139	Non-hydrogen_Atom_Count	15
12589	Total_Formal_Charge	0
5192	Mono_Isotopic_Weight	202.12050905
824657	Total_Formal_Charge	0
17279	Defined_Atom_Stereo_Count	0
56955286	Non-hydrogen_Atom_Count	28
12867427	Covalent_Unit_Count	1
90243427	Molecular_Weight	101.15
53378550	Molecular_Weight	453.9
9531	Covalent_Unit_Count	1
101103333	TPSA	0
146795	Defined_Atom_Stereo_Count	0
5154	Molecular_Weight	332.3
10990876	Exact_Mass	321.94425161
20417	Non-hydrogen_Atom_Count	8
13501022	Defined_Bond_Stereo_Count	0
233707	Rotatable_Bond_Count	1
91591	Mono_Isotopic_Weight	143.0137915
443100	Exact_Mass	453.1700346
20034086	Undefined_Bond_Stereo_Count	0
6428543	XLogP3-AA	1.7
131954609	XLogP3-AA	5.1
163317	Defined_Bond_Stereo_Count	0
22160	Total_Formal_Charge	0
79905	Mono_Isotopic_Weight	132.09727168
23450	Molecular_Weight	137.14
58970	Total_Formal_Charge	0
96198	Defined_Atom_Stereo_Count	0
246728	TPSA	17.1
968609	Rotatable_Bond_Count	4
25657	Hydrogen_Bond_Acceptor_Count	1
77266	Exact_Mass	421.0679680
54586720	Total_Formal_Charge	0
91773	XLogP3	3.9
118689593	Structure_Complexity	1220
124886	Defined_Atom_Stereo_Count	2
107758	TPSA	308
69503325	Hydrogen_Bond_Donor_Count	4
54095609	Undefined_Bond_Stereo_Count	0
93074	Hydrogen_Bond_Donor_Count	1
35763	Isotope_Atom_Count	0
117717938	Undefined_Bond_Stereo_Count	0
4911	Non-hydrogen_Atom_Count	19
6031	Undefined_Bond_Stereo_Count	0
2168	Covalent_Unit_Count	1
133429	Covalent_Unit_Count	1
34549	Covalent_Unit_Count	1
89371029	TPSA	38
3585	Rotatable_Bond_Count	3
56955954	Isotope_Atom_Count	0
45120480	Molecular_Weight	110.15
45356890	Covalent_Unit_Count	1
109291	Tautomer_Count	1
94330	Tautomer_Count	10
6918562	TPSA	358
22463839	Hydrogen_Bond_Donor_Count	0
6857538	Undefined_Atom_Stereo_Count	0
58485	Exact_Mass	198.09391764
88789571	Hydrogen_Bond_Acceptor_Count	1
123167244	Undefined_Bond_Stereo_Count	0
18847	Undefined_Bond_Stereo_Count	0
3917956	Structure_Complexity	134
36688117	Rotatable_Bond_Count	5
162649852	Hydrogen_Bond_Acceptor_Count	27
154000	XLogP3-AA	4
5359271	Undefined_Atom_Stereo_Count	0
5743568	TPSA	104
7124	Undefined_Atom_Stereo_Count	0
105039	Structure_Complexity	198
162883450	Total_Formal_Charge	0
394397	Exact_Mass	265.01572689
9864154	Non-hydrogen_Atom_Count	27
71145	Undefined_Bond_Stereo_Count	0
11767	Undefined_Atom_Stereo_Count	0
366731	Total_Formal_Charge	0
97886	Non-hydrogen_Atom_Count	18
78759283	Covalent_Unit_Count	2
37207	Non-hydrogen_Atom_Count	15
119058385	Hydrogen_Bond_Donor_Count	3
51041	XLogP3	6.6
1518	Mono_Isotopic_Weight	242.154489261
10057444	Exact_Mass	86.036779430
135722088	Total_Formal_Charge	0
497380	Defined_Atom_Stereo_Count	1
516	Defined_Bond_Stereo_Count	0
20084	Total_Formal_Charge	0
95162412	Hydrogen_Bond_Donor_Count	8
10517	Total_Formal_Charge	0
5464167	Structure_Complexity	27.1
4313918	Isotope_Atom_Count	0
167029	Defined_Atom_Stereo_Count	0
60196378	Undefined_Bond_Stereo_Count	0
67493918	Hydrogen_Bond_Acceptor_Count	2
104556	Mono_Isotopic_Weight	219.15829154
3941	Defined_Atom_Stereo_Count	0
1792	TPSA	66
20058	Structure_Complexity	660
5367784	XLogP3	9.2
5371531	Tautomer_Count	5
3015009	Hydrogen_Bond_Acceptor_Count	0
138394156	Undefined_Bond_Stereo_Count	0
10143016	TPSA	87.3
119307	Exact_Mass	622.44446893
160368576	Exact_Mass	114.02900871
336423	Covalent_Unit_Count	1
7177	Non-hydrogen_Atom_Count	20
20339874	Defined_Bond_Stereo_Count	0
6815	Defined_Bond_Stereo_Count	0
5359620	Undefined_Bond_Stereo_Count	0
81512	Hydrogen_Bond_Acceptor_Count	2
853	Covalent_Unit_Count	1
123888456	Rotatable_Bond_Count	1
151419	Undefined_Atom_Stereo_Count	0
9786	Undefined_Bond_Stereo_Count	0
616651	Isotope_Atom_Count	0
72266	Exact_Mass	295.12805404
134694738	Hydrogen_Bond_Acceptor_Count	12
68868	Defined_Atom_Stereo_Count	7
5318	TPSA	43.1
6328174	Hydrogen_Bond_Donor_Count	3
117968974	Rotatable_Bond_Count	0
68392349	Structure_Complexity	125
286157	Non-hydrogen_Atom_Count	19
32184	Defined_Atom_Stereo_Count	0
99646539	Isotope_Atom_Count	0
12309465	Exact_Mass	405.813931
3741	TPSA	200
115011049	TPSA	26.3
66489873	Undefined_Bond_Stereo_Count	0
32169	Rotatable_Bond_Count	7
9985155	Mono_Isotopic_Weight	555.23693578
44392088	Covalent_Unit_Count	1
123600	Non-hydrogen_Atom_Count	17
11347535	Molecular_Weight	313.77
13923	Undefined_Bond_Stereo_Count	0
13399	XLogP3-AA	1.2
985126	Mono_Isotopic_Weight	463.9822900
21513403	Total_Formal_Charge	0
173	Hydrogen_Bond_Acceptor_Count	4
126830	TPSA	46.5
25196164	Defined_Bond_Stereo_Count	0
40472	Isotope_Atom_Count	0
2955894	Exact_Mass	407.20697307
1574	Mono_Isotopic_Weight	190.110613074
12385068	Hydrogen_Bond_Donor_Count	0
6445786	Undefined_Atom_Stereo_Count	2
54686183	Exact_Mass	1024.3123164
53635139	Isotope_Atom_Count	0
7142	Undefined_Atom_Stereo_Count	0
21770	Structure_Complexity	370
74619	Total_Formal_Charge	0
117853562	Total_Formal_Charge	0
6437065	Covalent_Unit_Count	2
85573568	Undefined_Atom_Stereo_Count	0
70721	Exact_Mass	110.073164938
3081386	Mono_Isotopic_Weight	679.08627911
21991095	Undefined_Bond_Stereo_Count	0
736500	Rotatable_Bond_Count	1
87363	Non-hydrogen_Atom_Count	7
71309905	Defined_Atom_Stereo_Count	4
24450	Mono_Isotopic_Weight	173.88865848
81531	Exact_Mass	129.151749610
17195	Non-hydrogen_Atom_Count	26
44345361	Defined_Bond_Stereo_Count	0
59481545	Hydrogen_Bond_Donor_Count	1
5478936	Non-hydrogen_Atom_Count	39
12732836	Hydrogen_Bond_Acceptor_Count	1
15633846	Non-hydrogen_Atom_Count	8
45933929	Defined_Atom_Stereo_Count	3
6805	TPSA	37.3
57401683	Covalent_Unit_Count	1
64423	Structure_Complexity	365
10627323	Defined_Atom_Stereo_Count	0
3002335	Defined_Atom_Stereo_Count	0
2562	Hydrogen_Bond_Acceptor_Count	4
54682651	TPSA	63.6
121599	Hydrogen_Bond_Donor_Count	0
25828	Defined_Atom_Stereo_Count	0
93171	Defined_Bond_Stereo_Count	0
52950901	Defined_Bond_Stereo_Count	0
57396593	TPSA	78.7
35810	TPSA	31.7
12115801	Non-hydrogen_Atom_Count	8
33958	Defined_Atom_Stereo_Count	0
23392960	Undefined_Bond_Stereo_Count	0
676243	Structure_Complexity	409
7098664	Undefined_Bond_Stereo_Count	0
160817	Defined_Atom_Stereo_Count	0
30815	Exact_Mass	169.0294416
30819	Total_Formal_Charge	0
6319	Undefined_Bond_Stereo_Count	0
6710735	Undefined_Atom_Stereo_Count	0
26249	XLogP3	4.6
41097850	Covalent_Unit_Count	1
12486	Non-hydrogen_Atom_Count	10
6435463	Covalent_Unit_Count	1
20112175	Molecular_Weight	92.09
423438	Isotope_Atom_Count	0
20276	Exact_Mass	282.08445
12671783	Structure_Complexity	126
5273759	Undefined_Atom_Stereo_Count	0
20592404	Undefined_Atom_Stereo_Count	0
2040	Undefined_Atom_Stereo_Count	0
1515	Tautomer_Count	1
37924	Mono_Isotopic_Weight	251.9744848
17541	Hydrogen_Bond_Acceptor_Count	3
26556	TPSA	24.1
96776	Mono_Isotopic_Weight	232.157563266
11519741	Rotatable_Bond_Count	10
51921896	Exact_Mass	342.11621151
557021	Undefined_Bond_Stereo_Count	0
2826713	XLogP3-AA	16
52949760	Mono_Isotopic_Weight	369.18748367
498142	Rotatable_Bond_Count	0
5328	Structure_Complexity	349
72068	Mono_Isotopic_Weight	286.04860741
692670	Structure_Complexity	432
66041	Molecular_Weight	130.19
68154	Undefined_Bond_Stereo_Count	0
127757	Exact_Mass	452.22122615
8271	TPSA	66.5
29083	XLogP3-AA	0.2
69333926	Molecular_Weight	108.10
466959	Undefined_Atom_Stereo_Count	0
57390868	Non-hydrogen_Atom_Count	31
12651160	Defined_Bond_Stereo_Count	0
198135	Undefined_Bond_Stereo_Count	0
84354	Tautomer_Count	3
3002120	XLogP3-AA	2.7
13163973	Structure_Complexity	88.5
136102	Hydrogen_Bond_Acceptor_Count	1
9819043	Hydrogen_Bond_Donor_Count	4
171227	Undefined_Atom_Stereo_Count	0
91408078	Mono_Isotopic_Weight	116.047344113
92660	Non-hydrogen_Atom_Count	15
16501	Rotatable_Bond_Count	3
53956489	Rotatable_Bond_Count	3
88279	Undefined_Bond_Stereo_Count	0
163199229	Total_Formal_Charge	0
61672	Undefined_Bond_Stereo_Count	0
20470622	Defined_Atom_Stereo_Count	0
61510	Isotope_Atom_Count	0
143852	Tautomer_Count	1
44120020	Non-hydrogen_Atom_Count	36
71311162	Defined_Bond_Stereo_Count	0
253878	Non-hydrogen_Atom_Count	7
612	Tautomer_Count	1
57887199	Defined_Atom_Stereo_Count	0
24502	Tautomer_Count	1
78043	Molecular_Weight	112.13
160312	Total_Formal_Charge	0
93536	Rotatable_Bond_Count	2
102358067	TPSA	50.8
23691974	Non-hydrogen_Atom_Count	13
7597	Molecular_Weight	214.22
11564168	Defined_Bond_Stereo_Count	0
71667668	Total_Formal_Charge	0
3340	Exact_Mass	306.0896961
86134	Undefined_Atom_Stereo_Count	1
292	Undefined_Atom_Stereo_Count	9
104143	TPSA	99
65051	Molecular_Weight	466.17
54012932	Hydrogen_Bond_Acceptor_Count	3
12304	Total_Formal_Charge	0
45266503	Defined_Bond_Stereo_Count	0
31250	Defined_Bond_Stereo_Count	0
22717351	Structure_Complexity	72.1
131801109	Structure_Complexity	1310
17865372	TPSA	77.6
70421410	Hydrogen_Bond_Acceptor_Count	3
44311686	Exact_Mass	349.0829337
12572713	Hydrogen_Bond_Acceptor_Count	3
9601896	Tautomer_Count	1
4759	Non-hydrogen_Atom_Count	25
5344	Defined_Atom_Stereo_Count	0
3067270	Non-hydrogen_Atom_Count	24
21100	Total_Formal_Charge	0
68681268	Non-hydrogen_Atom_Count	32
72938	Molecular_Weight	389.4
3510569	Undefined_Atom_Stereo_Count	0
11344909	Isotope_Atom_Count	0
123792659	Mono_Isotopic_Weight	110.109550447
69871	Isotope_Atom_Count	0
369373	Hydrogen_Bond_Donor_Count	4
5284650	Undefined_Atom_Stereo_Count	0
78352	Undefined_Atom_Stereo_Count	0
54581	Undefined_Bond_Stereo_Count	0
95447	TPSA	40.5
12190	Defined_Bond_Stereo_Count	0
51347104	Rotatable_Bond_Count	2
9961939	TPSA	220
657308	Covalent_Unit_Count	2
11101	Structure_Complexity	164
543123	Undefined_Atom_Stereo_Count	0
17753880	Hydrogen_Bond_Acceptor_Count	4
6971003	Molecular_Weight	180.16
120095	XLogP3-AA	1
11789150	Covalent_Unit_Count	1
21187532	Defined_Atom_Stereo_Count	0
4119106	Defined_Atom_Stereo_Count	0
62411	Exact_Mass	174.08920892
1035	Rotatable_Bond_Count	12
57973135	Defined_Atom_Stereo_Count	3
83679654	Hydrogen_Bond_Acceptor_Count	3
86811257	Hydrogen_Bond_Acceptor_Count	2
4842	TPSA	40.6
89064108	Total_Formal_Charge	0
1069189	Defined_Bond_Stereo_Count	0
22226235	Defined_Bond_Stereo_Count	0
154544	Mono_Isotopic_Weight	231.08954328
6432517	Exact_Mass	304.240230259
21133868	Defined_Bond_Stereo_Count	0
145711648	Hydrogen_Bond_Acceptor_Count	2
9474	Mono_Isotopic_Weight	150.00926271
35654	Structure_Complexity	472
81569	Mono_Isotopic_Weight	117.078978594
25261	Covalent_Unit_Count	2
13130	Covalent_Unit_Count	1
86083878	TPSA	0
92546	Exact_Mass	224.07970687
5280954	Tautomer_Count	1
5188	Structure_Complexity	455
9929430	Covalent_Unit_Count	1
120737	Molecular_Weight	297.82
18050	Structure_Complexity	62.7
122174240	TPSA	75.6
119525	Defined_Atom_Stereo_Count	0
6342	Non-hydrogen_Atom_Count	3
70689385	XLogP3-AA	2.6
12287	Defined_Bond_Stereo_Count	0
17691	Exact_Mass	96.057514874
24688	Non-hydrogen_Atom_Count	8
78960	Hydrogen_Bond_Acceptor_Count	1
135437285	Defined_Atom_Stereo_Count	0
20617585	Mono_Isotopic_Weight	93.021463719
91021644	Isotope_Atom_Count	0
57286269	Defined_Atom_Stereo_Count	0
14470	Mono_Isotopic_Weight	87.068413911
50367	Defined_Atom_Stereo_Count	0
194670	Exact_Mass	193.110278721
51397515	Hydrogen_Bond_Acceptor_Count	12
31343	Hydrogen_Bond_Acceptor_Count	5
61361	Total_Formal_Charge	0
102848	Defined_Atom_Stereo_Count	0
97702695	Hydrogen_Bond_Donor_Count	2
53001	Hydrogen_Bond_Donor_Count	1
37993	Undefined_Atom_Stereo_Count	0
447202	Non-hydrogen_Atom_Count	55
2787	Covalent_Unit_Count	1
21917771	Undefined_Atom_Stereo_Count	0
47491	Defined_Bond_Stereo_Count	0
68976	Molecular_Weight	153.95
65910	Molecular_Weight	558.5
40390	Covalent_Unit_Count	2
3000506	Defined_Atom_Stereo_Count	2
54540949	Total_Formal_Charge	0
10618	Tautomer_Count	1
160458	Structure_Complexity	97.1
49862577	TPSA	57.8
519	Molecular_Weight	258.12
25162932	Mono_Isotopic_Weight	239.0951158
549336	Defined_Atom_Stereo_Count	0
398517	XLogP3-AA	2.5
68871182	Rotatable_Bond_Count	1
135988	Undefined_Atom_Stereo_Count	0
377339	Hydrogen_Bond_Acceptor_Count	5
10113978	Hydrogen_Bond_Acceptor_Count	8
536086	Hydrogen_Bond_Acceptor_Count	2
88423	Exact_Mass	163.110947427
204109	Defined_Bond_Stereo_Count	0
153722581	Isotope_Atom_Count	0
6158	Covalent_Unit_Count	1
31635	Non-hydrogen_Atom_Count	18
20581047	Undefined_Atom_Stereo_Count	2
9926639	Total_Formal_Charge	0
65410	Undefined_Atom_Stereo_Count	2
66357	Structure_Complexity	217
44668	Non-hydrogen_Atom_Count	17
5770	Structure_Complexity	1000
130124970	Defined_Bond_Stereo_Count	0
115011049	Mono_Isotopic_Weight	112.052429494
3042	XLogP3-AA	5.5
2775003	Undefined_Bond_Stereo_Count	0
91563	Covalent_Unit_Count	1
26859	Covalent_Unit_Count	1
20473149	Defined_Bond_Stereo_Count	0
13912815	Hydrogen_Bond_Donor_Count	2
5288706	Mono_Isotopic_Weight	485.27536898
17841522	Non-hydrogen_Atom_Count	7
60335	Defined_Bond_Stereo_Count	0
153067665	Covalent_Unit_Count	1
18343309	Rotatable_Bond_Count	2
987917	Undefined_Atom_Stereo_Count	0
21616978	Isotope_Atom_Count	0
22308	Structure_Complexity	404
655797	Defined_Bond_Stereo_Count	0
57454999	Total_Formal_Charge	0
5842000	Defined_Bond_Stereo_Count	1
4476692	Total_Formal_Charge	0
49769060	Mono_Isotopic_Weight	719.42446176
29498	Undefined_Atom_Stereo_Count	0
15720326	Rotatable_Bond_Count	3
43801121	XLogP3-AA	0.7
10073773	Rotatable_Bond_Count	5
16957	Molecular_Weight	406.5
22602664	Mono_Isotopic_Weight	109.052763847
554	Defined_Bond_Stereo_Count	0
11992	Molecular_Weight	172.02
23702658	Total_Formal_Charge	0
8559	Defined_Bond_Stereo_Count	0
1712087	XLogP3-AA	2.9
53448504	Defined_Atom_Stereo_Count	0
20414	Hydrogen_Bond_Acceptor_Count	0
27124	Exact_Mass	318.136827821
2832	Isotope_Atom_Count	0
130000966	Exact_Mass	101.084063974
64758	Rotatable_Bond_Count	19
44338989	XLogP3-AA	3.6
44557636	Hydrogen_Bond_Donor_Count	0
138358	TPSA	0
521226	Isotope_Atom_Count	0
71785	Mono_Isotopic_Weight	313.215412493
14923878	TPSA	0
3968	Hydrogen_Bond_Acceptor_Count	2
123415454	Total_Formal_Charge	0
17564	XLogP3	4.7
64510	Defined_Bond_Stereo_Count	0
134694664	Non-hydrogen_Atom_Count	30
71307528	Undefined_Atom_Stereo_Count	1
67482131	Non-hydrogen_Atom_Count	28
102118	Defined_Atom_Stereo_Count	0
46856306	Hydrogen_Bond_Donor_Count	3
5611	TPSA	66.4
16399	TPSA	20.2
21133161	Hydrogen_Bond_Acceptor_Count	4
160753	TPSA	43.4
67242154	Structure_Complexity	113
4090	Defined_Atom_Stereo_Count	0
44338517	TPSA	33.7
78579	Isotope_Atom_Count	0
11982778	Exact_Mass	1348.58318267
16218600	Defined_Bond_Stereo_Count	0
104820	Exact_Mass	165.026060
57565875	Non-hydrogen_Atom_Count	7
54438	Defined_Bond_Stereo_Count	0
23701721	Undefined_Atom_Stereo_Count	0
1855	Non-hydrogen_Atom_Count	15
14135407	XLogP3-AA	1.4
71583043	Hydrogen_Bond_Acceptor_Count	6
69	Undefined_Atom_Stereo_Count	0
21836527	Molecular_Weight	111.10
10974	Structure_Complexity	75.8
102657	Undefined_Bond_Stereo_Count	0
117852135	Non-hydrogen_Atom_Count	28
13019068	Mono_Isotopic_Weight	416.32904526
101534	Hydrogen_Bond_Donor_Count	2
87704774	Molecular_Weight	219.67
11932	Exact_Mass	284.0847040
663	Covalent_Unit_Count	1
5276520	Undefined_Atom_Stereo_Count	0
25386	Covalent_Unit_Count	2
21696748	Isotope_Atom_Count	0
618566	Defined_Atom_Stereo_Count	0
688303	Covalent_Unit_Count	1
9806615	Hydrogen_Bond_Acceptor_Count	11
135988	Defined_Atom_Stereo_Count	0
3035240	Rotatable_Bond_Count	3
53810451	Undefined_Bond_Stereo_Count	0
44576048	Hydrogen_Bond_Donor_Count	2
98218	Undefined_Bond_Stereo_Count	0
288	TPSA	60.4
54693001	Rotatable_Bond_Count	7
59886072	Non-hydrogen_Atom_Count	12
11229	Exact_Mass	100.125200510
442504	Non-hydrogen_Atom_Count	11
125127453	Undefined_Atom_Stereo_Count	0
173411	Hydrogen_Bond_Acceptor_Count	9
69777	Molecular_Weight	284.23
1551097	Structure_Complexity	385
18283	Total_Formal_Charge	0
1484500	Total_Formal_Charge	0
69507	Molecular_Weight	260.14
444294	Undefined_Atom_Stereo_Count	0
16331	XLogP3-AA	1
69020	Defined_Atom_Stereo_Count	0
22788210	Defined_Bond_Stereo_Count	0
12321786	Rotatable_Bond_Count	3
54467044	Undefined_Atom_Stereo_Count	1
91667752	Defined_Bond_Stereo_Count	0
56995913	TPSA	49.8
483180	Tautomer_Count	1
114905	Exact_Mass	509.27371521
54060	Molecular_Weight	413.5
24964624	Hydrogen_Bond_Acceptor_Count	4
57364	Hydrogen_Bond_Donor_Count	2
93843	XLogP3-AA	5
6407	TPSA	17.1
987917	Defined_Atom_Stereo_Count	0
8974	Defined_Bond_Stereo_Count	0
13348002	Rotatable_Bond_Count	0
46782942	Mono_Isotopic_Weight	513.7957108
129009973	Structure_Complexity	609
19784587	Undefined_Atom_Stereo_Count	1
6266	Molecular_Weight	336.8
74080	Non-hydrogen_Atom_Count	8
33627	Non-hydrogen_Atom_Count	32
529	Covalent_Unit_Count	1
65246	Non-hydrogen_Atom_Count	16
257501	Isotope_Atom_Count	0
5256228	Undefined_Atom_Stereo_Count	0
6697	TPSA	17.1
14200416	Mono_Isotopic_Weight	114.104465066
31378	Molecular_Weight	380.4
16129635	Rotatable_Bond_Count	19
71249967	Non-hydrogen_Atom_Count	36
10755924	Structure_Complexity	447
58781694	Defined_Bond_Stereo_Count	0
22377554	Structure_Complexity	79.1
139024314	Defined_Atom_Stereo_Count	5
66489873	Undefined_Atom_Stereo_Count	0
10471931	Structure_Complexity	530
3037131	Structure_Complexity	27.5
13286	Undefined_Atom_Stereo_Count	0
70276811	Defined_Atom_Stereo_Count	2
12488467	Undefined_Bond_Stereo_Count	0
5368396	XLogP3-AA	11
10066275	Rotatable_Bond_Count	3
12213229	XLogP3-AA	3
6950248	Structure_Complexity	45.3
24437	Structure_Complexity	18.8
82326	Undefined_Bond_Stereo_Count	0
136589	Defined_Atom_Stereo_Count	0
70671195	Defined_Bond_Stereo_Count	0
95258	XLogP3	1.2
79117667	Structure_Complexity	135
6419536	Mono_Isotopic_Weight	240.137496527
20442	Rotatable_Bond_Count	11
54557	Defined_Bond_Stereo_Count	0
9920327	Undefined_Bond_Stereo_Count	0
24916869	Molecular_Weight	678.6
8821	Molecular_Weight	100.12
2734250	Structure_Complexity	259
74448	Covalent_Unit_Count	1
4687937	Total_Formal_Charge	0
5288595	Defined_Atom_Stereo_Count	0
11539562	Undefined_Atom_Stereo_Count	0
443314	Molecular_Weight	522.7
440995	TPSA	190
6061	TPSA	38
40826	Covalent_Unit_Count	1
220376	Undefined_Atom_Stereo_Count	0
15604	Molecular_Weight	180.24
10330791	Total_Formal_Charge	0
46856376	Rotatable_Bond_Count	0
124080868	Total_Formal_Charge	0
12617365	Structure_Complexity	643
78276	Hydrogen_Bond_Donor_Count	0
12295391	Rotatable_Bond_Count	1
11210173	Structure_Complexity	449
6278	Mono_Isotopic_Weight	131.930033
11416	Covalent_Unit_Count	1
18368760	XLogP3-AA	0.4
443935	Rotatable_Bond_Count	0
22834549	Hydrogen_Bond_Donor_Count	49
3571	Hydrogen_Bond_Donor_Count	3
868	Mono_Isotopic_Weight	88.016043985
23663969	Covalent_Unit_Count	2
11505	Hydrogen_Bond_Acceptor_Count	1
10772959	Hydrogen_Bond_Acceptor_Count	3
78477	Undefined_Atom_Stereo_Count	0
2110	TPSA	83.6
123452974	Total_Formal_Charge	0
10246418	Rotatable_Bond_Count	4
17019	Molecular_Weight	271.15
15853020	Undefined_Bond_Stereo_Count	0
413528	Non-hydrogen_Atom_Count	19
346327	Rotatable_Bond_Count	3
56746	Exact_Mass	391.03202
522003	Exact_Mass	132.115029749
5267	TPSA	85.7
18185822	Hydrogen_Bond_Acceptor_Count	3
54740489	Molecular_Weight	390.31
30949	Undefined_Atom_Stereo_Count	0
17163	TPSA	21.8
60144418	Mono_Isotopic_Weight	326.01951273
36231	TPSA	0
192435	TPSA	190
31493	Undefined_Bond_Stereo_Count	0
60196378	Defined_Atom_Stereo_Count	0
101576	Mono_Isotopic_Weight	181.089149355
9508	Undefined_Bond_Stereo_Count	0
95400	Defined_Atom_Stereo_Count	0
126664809	Total_Formal_Charge	0
60168629	Hydrogen_Bond_Donor_Count	1
34364440	Isotope_Atom_Count	0
95961	Hydrogen_Bond_Donor_Count	1
19738210	XLogP3-AA	1
8014	Non-hydrogen_Atom_Count	5
66545759	Structure_Complexity	880
57370084	Undefined_Bond_Stereo_Count	0
6328648	TPSA	0
41	Isotope_Atom_Count	0
94973	Molecular_Weight	110.11
60196267	Rotatable_Bond_Count	1
65028	Undefined_Bond_Stereo_Count	0
86851	Non-hydrogen_Atom_Count	11
1720	Exact_Mass	212.058577502
4683067	Undefined_Bond_Stereo_Count	0
46213929	Defined_Atom_Stereo_Count	0
6918186	Structure_Complexity	522
67431	Defined_Atom_Stereo_Count	0
3393610	Undefined_Bond_Stereo_Count	0
71509158	TPSA	166
108207	Molecular_Weight	344.4
3002119	Structure_Complexity	481
17769620	Undefined_Bond_Stereo_Count	0
512984	Hydrogen_Bond_Acceptor_Count	5
58468319	Non-hydrogen_Atom_Count	8
5280490	Non-hydrogen_Atom_Count	21
18730043	TPSA	0
445248	Undefined_Atom_Stereo_Count	0
24815904	Rotatable_Bond_Count	5
9472	Defined_Atom_Stereo_Count	0
146682529	Defined_Atom_Stereo_Count	2
88794	Defined_Bond_Stereo_Count	0
17873276	TPSA	46.3
13664	TPSA	15.8
6429604	Isotope_Atom_Count	0
59896759	Molecular_Weight	225.15
20056950	Covalent_Unit_Count	1
6918546	TPSA	170
422052	Undefined_Bond_Stereo_Count	0
23725082	Hydrogen_Bond_Donor_Count	0
23159180	Hydrogen_Bond_Donor_Count	1
557903	Undefined_Atom_Stereo_Count	0
25078013	Defined_Atom_Stereo_Count	0
20392430	Structure_Complexity	82.6
8307	Defined_Bond_Stereo_Count	0
71234	Mono_Isotopic_Weight	284.12732577
6365145	Isotope_Atom_Count	0
10664930	TPSA	70
30945	Exact_Mass	98.036779430
22123753	Undefined_Atom_Stereo_Count	1
1483593	Hydrogen_Bond_Donor_Count	1
138199	Total_Formal_Charge	0
71783	Rotatable_Bond_Count	6
5283393	XLogP3-AA	5.6
77313	Hydrogen_Bond_Donor_Count	0
519846	Structure_Complexity	72.9
79244	Total_Formal_Charge	0
12209	Structure_Complexity	88.9
8598	Hydrogen_Bond_Acceptor_Count	7
165359778	TPSA	17.1
151245	TPSA	38.3
3033952	Tautomer_Count	2
12348	Defined_Atom_Stereo_Count	0
97050130	Molecular_Weight	342.30
10780	Undefined_Atom_Stereo_Count	0
14969	Non-hydrogen_Atom_Count	101
5352728	Structure_Complexity	90.9
941650	Structure_Complexity	711
164668700	Rotatable_Bond_Count	3
24865620	Hydrogen_Bond_Acceptor_Count	5
18408476	Covalent_Unit_Count	1
131634423	Mono_Isotopic_Weight	394.1127302
131460	Isotope_Atom_Count	0
5476	Undefined_Atom_Stereo_Count	1
134460917	TPSA	107
11830	Hydrogen_Bond_Acceptor_Count	3
22068766	Covalent_Unit_Count	1
24450	Total_Formal_Charge	0
57391205	Hydrogen_Bond_Donor_Count	2
13639659	Rotatable_Bond_Count	0
60813	Undefined_Bond_Stereo_Count	0
7778	Structure_Complexity	158
12304	Hydrogen_Bond_Donor_Count	0
24913	Tautomer_Count	1
63893	Defined_Atom_Stereo_Count	0
71454296	Hydrogen_Bond_Donor_Count	2
40785065	Mono_Isotopic_Weight	404.25627424
11045	XLogP3-AA	0.2
48659	Isotope_Atom_Count	0
16726631	Hydrogen_Bond_Acceptor_Count	0
3601	Undefined_Atom_Stereo_Count	0
444170	Structure_Complexity	1130
20035	XLogP3	2.6
5311345	Undefined_Atom_Stereo_Count	0
10328936	Tautomer_Count	1001
9833984	Defined_Atom_Stereo_Count	1
76241	Isotope_Atom_Count	0
81426	Undefined_Bond_Stereo_Count	0
18139	Molecular_Weight	226.27
9841075	Isotope_Atom_Count	0
82412	Undefined_Atom_Stereo_Count	0
65182	Total_Formal_Charge	0
65429	Rotatable_Bond_Count	6
6924	Structure_Complexity	217
694395	Structure_Complexity	440
6444834	Non-hydrogen_Atom_Count	22
57392505	Isotope_Atom_Count	0
8914	Covalent_Unit_Count	1
1886	Undefined_Bond_Stereo_Count	0
60956	Non-hydrogen_Atom_Count	38
12622744	Undefined_Bond_Stereo_Count	0
23723057	Rotatable_Bond_Count	1
160212	Molecular_Weight	211.64
71825	Hydrogen_Bond_Donor_Count	1
92339	Exact_Mass	237.9952203
80779	TPSA	64.4
134839321	Molecular_Weight	905.0
67172	Tautomer_Count	45
11365506	Non-hydrogen_Atom_Count	38
513955	Hydrogen_Bond_Donor_Count	4
10176084	Hydrogen_Bond_Donor_Count	1
6454774	Total_Formal_Charge	0
124946	Molecular_Weight	438.4
33755	Defined_Bond_Stereo_Count	0
65650	Structure_Complexity	250
12950123	Non-hydrogen_Atom_Count	7
20725980	Covalent_Unit_Count	1
393037	Defined_Bond_Stereo_Count	0
444451	Exact_Mass	717.00999
154214	Hydrogen_Bond_Acceptor_Count	4
13976498	TPSA	0
66597	Undefined_Atom_Stereo_Count	0
22851718	Hydrogen_Bond_Donor_Count	1
7225	Undefined_Atom_Stereo_Count	0
3037234	Defined_Atom_Stereo_Count	0
17445	Mono_Isotopic_Weight	264.07799279
3365553	Defined_Atom_Stereo_Count	0
12704941	Exact_Mass	102.115698455
192843	Covalent_Unit_Count	1
121207425	Total_Formal_Charge	0
12564	TPSA	0
31280	Rotatable_Bond_Count	16
12730529	Non-hydrogen_Atom_Count	11
67277	Undefined_Atom_Stereo_Count	0
12867	Hydrogen_Bond_Acceptor_Count	2
1396	Mono_Isotopic_Weight	444.97074
498033	Covalent_Unit_Count	1
7831	Rotatable_Bond_Count	23
1219	Isotope_Atom_Count	0
20632752	TPSA	24.1
643798	Non-hydrogen_Atom_Count	9
16274	Mono_Isotopic_Weight	353.0270760
69834	Molecular_Weight	109.17
79840	XLogP3-AA	0.5
10126019	Rotatable_Bond_Count	7
153977505	Defined_Bond_Stereo_Count	0
5283339	Isotope_Atom_Count	0
4460493	Hydrogen_Bond_Donor_Count	0
4029	Defined_Atom_Stereo_Count	0
12372	Non-hydrogen_Atom_Count	8
152257	Hydrogen_Bond_Donor_Count	1
123134107	Undefined_Bond_Stereo_Count	0
91065259	Rotatable_Bond_Count	0
86380	Molecular_Weight	197.23
12817963	Rotatable_Bond_Count	0
136183442	Hydrogen_Bond_Donor_Count	4
23533634	Defined_Atom_Stereo_Count	0
135473834	Hydrogen_Bond_Acceptor_Count	10
14490	Mono_Isotopic_Weight	132.078644241
50914976	Defined_Atom_Stereo_Count	0
70919851	Isotope_Atom_Count	0
155143	TPSA	43.4
42519	Total_Formal_Charge	0
91759534	Rotatable_Bond_Count	2
14783	Hydrogen_Bond_Acceptor_Count	1
86010	Mono_Isotopic_Weight	212.0369090
4250936	XLogP3-AA	1
5462928	Hydrogen_Bond_Donor_Count	0
9570639	Molecular_Weight	388.6
10453	Hydrogen_Bond_Donor_Count	1
73828	XLogP3-AA	2.1
50627	Isotope_Atom_Count	0
439739	Non-hydrogen_Atom_Count	25
17831	Defined_Bond_Stereo_Count	0
65726	Tautomer_Count	10
11610354	Undefined_Atom_Stereo_Count	0
69356	Defined_Atom_Stereo_Count	0
281478	Defined_Bond_Stereo_Count	0
16759173	Molecular_Weight	446.5
72187525	Defined_Bond_Stereo_Count	5
23952	Structure_Complexity	0
52936034	Defined_Bond_Stereo_Count	0
21737	Isotope_Atom_Count	0
41381	Hydrogen_Bond_Donor_Count	0
155259577	Molecular_Weight	512.4
20372730	Molecular_Weight	116.16
505	TPSA	213
628889	Isotope_Atom_Count	0
6710664	Undefined_Bond_Stereo_Count	0
118318030	Defined_Atom_Stereo_Count	15
119119	Molecular_Weight	451.16
13524524	Hydrogen_Bond_Donor_Count	0
23675746	Covalent_Unit_Count	2
33190	Hydrogen_Bond_Acceptor_Count	12
10493732	Hydrogen_Bond_Donor_Count	2
55290898	Undefined_Atom_Stereo_Count	1
19782027	Defined_Bond_Stereo_Count	0
3003	Isotope_Atom_Count	0
54332589	Hydrogen_Bond_Donor_Count	0
381117	Non-hydrogen_Atom_Count	19
73114967	Undefined_Atom_Stereo_Count	4
54745	Hydrogen_Bond_Acceptor_Count	6
7958	TPSA	17.1
13203	Non-hydrogen_Atom_Count	8
451068	TPSA	57.7
34725	Hydrogen_Bond_Donor_Count	2
22222152	Total_Formal_Charge	0
154518019	Hydrogen_Bond_Donor_Count	1
90771502	Undefined_Atom_Stereo_Count	0
3271820	Isotope_Atom_Count	0
74879	TPSA	17.1
719018	Covalent_Unit_Count	1
26447	Mono_Isotopic_Weight	154.135765193
231162	Defined_Atom_Stereo_Count	0
24181458	Undefined_Bond_Stereo_Count	0
1712	Covalent_Unit_Count	1
22175060	Hydrogen_Bond_Donor_Count	2
71455276	Undefined_Bond_Stereo_Count	0
3676	TPSA	32.3
72158	Undefined_Atom_Stereo_Count	1
137705128	Covalent_Unit_Count	1
162747	TPSA	26.3
11505444	Structure_Complexity	996
62232962	Mono_Isotopic_Weight	112.052429494
77137	Structure_Complexity	50
55004	Rotatable_Bond_Count	0
158974	Non-hydrogen_Atom_Count	22
84776	Tautomer_Count	1
65246	Total_Formal_Charge	0
23038090	Total_Formal_Charge	0
10402760	XLogP3-AA	2
227085	TPSA	39.2
53320444	Molecular_Weight	465.5
3086686	TPSA	77.2
552549	Covalent_Unit_Count	1
95005	Structure_Complexity	222
66383	Covalent_Unit_Count	2
25015692	Rotatable_Bond_Count	7
5707	Tautomer_Count	8
67923265	Isotope_Atom_Count	0
949	Defined_Atom_Stereo_Count	0
534204	Structure_Complexity	112
8492	Defined_Bond_Stereo_Count	0
87110	Mono_Isotopic_Weight	151.0188769
517058	Mono_Isotopic_Weight	163.9407790
449435	Exact_Mass	591.23157562
26421	XLogP3-AA	1
44393	Tautomer_Count	1
657308	Defined_Atom_Stereo_Count	2
104730	Defined_Atom_Stereo_Count	0
170297	Structure_Complexity	48.9
5388879	Mono_Isotopic_Weight	158.845156
4045	Isotope_Atom_Count	0
25563891	Mono_Isotopic_Weight	241.110278721
8698	Defined_Atom_Stereo_Count	0
61534	Exact_Mass	91.940821
8682	Total_Formal_Charge	1
3816071	Mono_Isotopic_Weight	286.93329724
3453	Defined_Atom_Stereo_Count	0
3271820	Defined_Bond_Stereo_Count	0
16102855	Structure_Complexity	984
21668201	Mono_Isotopic_Weight	299.07700353
8705	Undefined_Bond_Stereo_Count	0
8579	Defined_Bond_Stereo_Count	0
12527495	Defined_Bond_Stereo_Count	0
20192394	Structure_Complexity	139
13165124	Covalent_Unit_Count	1
564184	Rotatable_Bond_Count	0
611967	Covalent_Unit_Count	1
56841939	Exact_Mass	420.1928185
16129672	Undefined_Bond_Stereo_Count	0
65622	Total_Formal_Charge	0
136664419	Rotatable_Bond_Count	5
71306828	Hydrogen_Bond_Acceptor_Count	14
71737801	Undefined_Bond_Stereo_Count	0
129544	Covalent_Unit_Count	1
64356	Defined_Atom_Stereo_Count	0
9050	Defined_Atom_Stereo_Count	1
2766305	Defined_Bond_Stereo_Count	0
132285118	Molecular_Weight	866.1
17782423	Exact_Mass	85.052763847
9921	Total_Formal_Charge	0
10307851	Mono_Isotopic_Weight	100.052429494
122239	Hydrogen_Bond_Donor_Count	1
638552	Isotope_Atom_Count	0
97842	Mono_Isotopic_Weight	170.130679813
124635203	Isotope_Atom_Count	0
5353646	Hydrogen_Bond_Acceptor_Count	2
72171	Undefined_Bond_Stereo_Count	0
31222	Hydrogen_Bond_Donor_Count	2
17356	Covalent_Unit_Count	1
543129	Hydrogen_Bond_Donor_Count	1
65859	Isotope_Atom_Count	0
636397	Undefined_Bond_Stereo_Count	0
137430	Total_Formal_Charge	0
41331	Rotatable_Bond_Count	4
534954	Isotope_Atom_Count	0
649852	Rotatable_Bond_Count	6
20936	Undefined_Bond_Stereo_Count	0
13427979	Hydrogen_Bond_Donor_Count	0
21702770	Mono_Isotopic_Weight	114.068079557
33838	Undefined_Bond_Stereo_Count	0
11289630	TPSA	138
138335	Defined_Atom_Stereo_Count	0
14366068	Defined_Bond_Stereo_Count	0
8254	Exact_Mass	46.041864811
154237264	Hydrogen_Bond_Donor_Count	0
59630744	XLogP3-AA	3.2
86632359	Undefined_Atom_Stereo_Count	1
13155711	Defined_Atom_Stereo_Count	0
795875	Molecular_Weight	340.22
23354	Hydrogen_Bond_Donor_Count	0
716315	Mono_Isotopic_Weight	183.06955672
22353206	Structure_Complexity	100
172309	Molecular_Weight	304.31
79048	Undefined_Bond_Stereo_Count	1
12962	Non-hydrogen_Atom_Count	5
19589	Rotatable_Bond_Count	3
2463138	Rotatable_Bond_Count	2
60155366	Hydrogen_Bond_Acceptor_Count	9
9893474	Defined_Atom_Stereo_Count	0
92043446	Defined_Atom_Stereo_Count	4
23390806	Isotope_Atom_Count	0
6918160	Structure_Complexity	399
135113	Total_Formal_Charge	0
3080825	Defined_Bond_Stereo_Count	0
11285588	Mono_Isotopic_Weight	731.30002740
84078	Hydrogen_Bond_Acceptor_Count	7
4284720	Structure_Complexity	315
54708299	Undefined_Atom_Stereo_Count	2
12364784	Undefined_Bond_Stereo_Count	0
11126361	Covalent_Unit_Count	1
104842	Hydrogen_Bond_Acceptor_Count	6
8722	Defined_Atom_Stereo_Count	0
519793	Undefined_Atom_Stereo_Count	0
82326	Undefined_Atom_Stereo_Count	0
259821	Non-hydrogen_Atom_Count	10
6473	Defined_Bond_Stereo_Count	0
1483	Isotope_Atom_Count	0
11073365	Mono_Isotopic_Weight	108.068748264
6133	Hydrogen_Bond_Acceptor_Count	15
9846078	Exact_Mass	440.17360725
25799416	Defined_Bond_Stereo_Count	0
4953	Rotatable_Bond_Count	12
2735101	Isotope_Atom_Count	0
4113	Hydrogen_Bond_Acceptor_Count	2
10931378	Undefined_Atom_Stereo_Count	1
20277510	Undefined_Bond_Stereo_Count	0
60837	Non-hydrogen_Atom_Count	47
439587	TPSA	90
11069	Defined_Bond_Stereo_Count	0
86767860	Isotope_Atom_Count	0
3083802	Mono_Isotopic_Weight	316.1553704
20226581	Isotope_Atom_Count	0
63624	Undefined_Atom_Stereo_Count	0
51357127	Structure_Complexity	614
6992284	Undefined_Atom_Stereo_Count	0
5279172	Exact_Mass	388.13355396
6303	Undefined_Bond_Stereo_Count	0
119058385	Defined_Bond_Stereo_Count	0
123662875	TPSA	52
19787449	Total_Formal_Charge	0
42808	Tautomer_Count	1
11872	Molecular_Weight	198.13
90825254	Non-hydrogen_Atom_Count	25
46926350	Defined_Atom_Stereo_Count	1
87255468	TPSA	229
40473193	TPSA	147
23409	TPSA	67.8
15278234	Defined_Bond_Stereo_Count	0
42839	Total_Formal_Charge	0
12657448	Undefined_Bond_Stereo_Count	0
5287971	Rotatable_Bond_Count	40
5289284	Isotope_Atom_Count	0
5665	Isotope_Atom_Count	0
6506221	Mono_Isotopic_Weight	236.214015512
22833321	XLogP3-AA	4.7
57507	Rotatable_Bond_Count	3
68602	Exact_Mass	200.131348519
71441408	Total_Formal_Charge	0
10076625	Defined_Bond_Stereo_Count	0
12472	Defined_Bond_Stereo_Count	0
135505	Covalent_Unit_Count	1
296732	Non-hydrogen_Atom_Count	17
70682196	Mono_Isotopic_Weight	412.18992602
10347501	Undefined_Atom_Stereo_Count	1
139026156	Non-hydrogen_Atom_Count	23
4566	Undefined_Bond_Stereo_Count	0
54150248	TPSA	38.4
77946	Total_Formal_Charge	0
870	Non-hydrogen_Atom_Count	45
150723740	Isotope_Atom_Count	0
6957647	Defined_Atom_Stereo_Count	0
70301	Molecular_Weight	150.18
231	Isotope_Atom_Count	0
56841020	Rotatable_Bond_Count	4
158385	Defined_Atom_Stereo_Count	0
132940892	Exact_Mass	555.27517176
87251056	Covalent_Unit_Count	1
95391	Molecular_Weight	140.18
11266523	Undefined_Bond_Stereo_Count	0
22978371	Mono_Isotopic_Weight	109.052763847
90102662	Non-hydrogen_Atom_Count	8
7013	Covalent_Unit_Count	1
6324671	Undefined_Bond_Stereo_Count	0
19165	Hydrogen_Bond_Donor_Count	0
16211948	Isotope_Atom_Count	0
135406870	Hydrogen_Bond_Acceptor_Count	3
9835868	Molecular_Weight	297.5
10442	Non-hydrogen_Atom_Count	5
28144	Total_Formal_Charge	0
12358970	Total_Formal_Charge	0
6572	Rotatable_Bond_Count	0
9971	Mono_Isotopic_Weight	155.03825660
518818	Total_Formal_Charge	0
907991	Covalent_Unit_Count	1
23565355	Molecular_Weight	100.16
140291701	TPSA	63.3
2175	Rotatable_Bond_Count	9
18397995	Structure_Complexity	962
11073353	Rotatable_Bond_Count	1
659024	Hydrogen_Bond_Donor_Count	1
43961	Isotope_Atom_Count	0
7432	Undefined_Atom_Stereo_Count	0
23662264	TPSA	23.1
12856218	Isotope_Atom_Count	0
40781	Hydrogen_Bond_Donor_Count	0
34327	Exact_Mass	204.093900383
907178	Defined_Bond_Stereo_Count	0
45259401	Hydrogen_Bond_Donor_Count	2
16051584	Undefined_Atom_Stereo_Count	1
123672484	Structure_Complexity	78.6
90754	Isotope_Atom_Count	0
78225491	TPSA	75.2
70144	Hydrogen_Bond_Donor_Count	0
54690394	Undefined_Atom_Stereo_Count	0
5372683	Hydrogen_Bond_Donor_Count	1
11758093	Structure_Complexity	969
142901	Hydrogen_Bond_Donor_Count	0
60976	Defined_Atom_Stereo_Count	0
19507	Mono_Isotopic_Weight	125.084063974
10693	Isotope_Atom_Count	0
90695524	TPSA	0
46906319	Molecular_Weight	325.4
10613	Mono_Isotopic_Weight	200.00693585
3532561	Mono_Isotopic_Weight	86.084398327
25079036	Tautomer_Count	996
54587759	Structure_Complexity	437
6681	Total_Formal_Charge	0
19918535	Structure_Complexity	65.1
700999	Rotatable_Bond_Count	2
23971	Hydrogen_Bond_Acceptor_Count	0
8176	Undefined_Atom_Stereo_Count	0
8425	XLogP3	4
105166	Non-hydrogen_Atom_Count	1
59968312	Undefined_Atom_Stereo_Count	0
27826	TPSA	35.9
21824034	TPSA	64.7
51683431	TPSA	190
14454747	Non-hydrogen_Atom_Count	7
6540277	Hydrogen_Bond_Acceptor_Count	5
5323977	Molecular_Weight	114.10
823	Hydrogen_Bond_Acceptor_Count	6
46693	Undefined_Atom_Stereo_Count	1
43116	Mono_Isotopic_Weight	851.37752882
17755052	Molecular_Weight	513.6
6748	Rotatable_Bond_Count	0
368	Structure_Complexity	58.4
17569	Covalent_Unit_Count	1
2356882	Defined_Bond_Stereo_Count	0
89164217	Hydrogen_Bond_Acceptor_Count	2
5455	Rotatable_Bond_Count	3
9248	Tautomer_Count	1
71306834	Isotope_Atom_Count	0
6917700	XLogP3-AA	1.8
23103323	Defined_Bond_Stereo_Count	0
72376365	Exact_Mass	785.31085
129628397	TPSA	154
2994	Rotatable_Bond_Count	11
130143669	Undefined_Atom_Stereo_Count	4
2754342	Hydrogen_Bond_Acceptor_Count	2
86673	Total_Formal_Charge	0
13342	Non-hydrogen_Atom_Count	59
595230	Hydrogen_Bond_Acceptor_Count	2
343119	Isotope_Atom_Count	0
16129616	Molecular_Weight	3431.9
39421	Structure_Complexity	569
23238238	Defined_Bond_Stereo_Count	0
449293	TPSA	23.5
69671	Rotatable_Bond_Count	0
57393918	Exact_Mass	389.9996542
518944	Rotatable_Bond_Count	1
657690	Undefined_Atom_Stereo_Count	0
138378	Defined_Bond_Stereo_Count	0
2906	Non-hydrogen_Atom_Count	6
2762874	Hydrogen_Bond_Donor_Count	0
772	Hydrogen_Bond_Donor_Count	15
9964101	TPSA	80.4
135410875	Non-hydrogen_Atom_Count	31
13652129	Non-hydrogen_Atom_Count	3
6996	Hydrogen_Bond_Donor_Count	0
3690	Molecular_Weight	261.08
3651	Total_Formal_Charge	0
243415	Defined_Bond_Stereo_Count	0
69270	Non-hydrogen_Atom_Count	10
15174590	Undefined_Bond_Stereo_Count	0
53436345	Total_Formal_Charge	0
4057	Rotatable_Bond_Count	5
38014	Hydrogen_Bond_Donor_Count	0
25203188	Hydrogen_Bond_Acceptor_Count	12
56120	Exact_Mass	292.0017622
7303	Hydrogen_Bond_Donor_Count	0
115260	Undefined_Atom_Stereo_Count	0
5281520	Hydrogen_Bond_Donor_Count	0
547676	Isotope_Atom_Count	0
10125362	Rotatable_Bond_Count	7
68120	Hydrogen_Bond_Acceptor_Count	2
92174	XLogP3-AA	1.6
44251605	Molecular_Weight	320.4
7577	Structure_Complexity	157
61017	Molecular_Weight	129.24
3085218	Non-hydrogen_Atom_Count	20
444913	Total_Formal_Charge	0
19130	Undefined_Atom_Stereo_Count	0
10290	Tautomer_Count	9
101626738	Isotope_Atom_Count	0
66577114	Structure_Complexity	1650
5437	Covalent_Unit_Count	1
124068	Hydrogen_Bond_Donor_Count	4
16406	Non-hydrogen_Atom_Count	23
1382043	Total_Formal_Charge	0
1473603	Isotope_Atom_Count	0
9967055	Hydrogen_Bond_Donor_Count	1
49142	Undefined_Bond_Stereo_Count	0
157690	Undefined_Bond_Stereo_Count	0
52083990	Undefined_Atom_Stereo_Count	0
3034394	Non-hydrogen_Atom_Count	21
74356	TPSA	28.7
12856218	TPSA	135
3424274	Structure_Complexity	201
593411	TPSA	0
76538	Hydrogen_Bond_Donor_Count	0
6064	Undefined_Atom_Stereo_Count	0
68901	Exact_Mass	265.06111730
6477186	Mono_Isotopic_Weight	534.17261902
137784	XLogP3-AA	5.2
4551	Rotatable_Bond_Count	0
14088498	Structure_Complexity	122
79783	XLogP3-AA	1.8
445302	Total_Formal_Charge	0
5353355	Mono_Isotopic_Weight	318.21949481
4390	Tautomer_Count	1
21655019	XLogP3-AA	0
134694638	Covalent_Unit_Count	1
46783812	Tautomer_Count	1001
48804	Isotope_Atom_Count	0
372978	Covalent_Unit_Count	1
10100083	Molecular_Weight	598.8
12326432	Hydrogen_Bond_Acceptor_Count	2
320410	Defined_Bond_Stereo_Count	0
28532	Total_Formal_Charge	0
688451	Molecular_Weight	236.31
23663979	Molecular_Weight	371.4
77245	Total_Formal_Charge	0
71809	Mono_Isotopic_Weight	403.20859
21692	Exact_Mass	268.121177757
11550004	Undefined_Bond_Stereo_Count	0
25114553	Mono_Isotopic_Weight	492.25973691
3604	XLogP3-AA	1.8
637921	Defined_Bond_Stereo_Count	1
18622372	Hydrogen_Bond_Donor_Count	0
91693	Exact_Mass	283.0643029
16719220	Defined_Bond_Stereo_Count	0
30667	Hydrogen_Bond_Acceptor_Count	2
3173542	Hydrogen_Bond_Donor_Count	0
5003	Tautomer_Count	1
38040	Mono_Isotopic_Weight	289.922361
20194949	Mono_Isotopic_Weight	114.02294089
92180	Defined_Bond_Stereo_Count	0
797972	Undefined_Bond_Stereo_Count	0
87826555	Defined_Atom_Stereo_Count	0
53424410	Total_Formal_Charge	0
65977	Exact_Mass	216.11100700
11105310	Total_Formal_Charge	0
8344	Exact_Mass	282.11033829
12200971	Non-hydrogen_Atom_Count	8
72941505	Rotatable_Bond_Count	7
268	Mono_Isotopic_Weight	1149.35159721
51299	Non-hydrogen_Atom_Count	13
95848	Undefined_Bond_Stereo_Count	0
49866945	Molecular_Weight	663.3
76442017	Structure_Complexity	92.7
80972	Covalent_Unit_Count	1
7779	Molecular_Weight	182.26
10441670	Structure_Complexity	77.7
35803	Defined_Atom_Stereo_Count	0
54585642	Total_Formal_Charge	0
64964	Mono_Isotopic_Weight	200.20009678
14459508	Undefined_Atom_Stereo_Count	1
12448	XLogP3-AA	3.7
125820	Non-hydrogen_Atom_Count	21
24892775	Exact_Mass	530.07027744
4242975	Molecular_Weight	257.33
101136808	TPSA	554
119032	Hydrogen_Bond_Acceptor_Count	7
15559460	Rotatable_Bond_Count	4
6857664	Mono_Isotopic_Weight	42.009222013
56973549	TPSA	114
23015900	Defined_Atom_Stereo_Count	0
31255	Covalent_Unit_Count	2
4211	Mono_Isotopic_Weight	317.953661
136400	Rotatable_Bond_Count	0
9549213	Tautomer_Count	3
15174929	XLogP3	1.2
5284556	Molecular_Weight	144.60
4042	Hydrogen_Bond_Donor_Count	0
656641	Molecular_Weight	582.8
445794	Molecular_Weight	559.32
9798038	Non-hydrogen_Atom_Count	25
135398640	Hydrogen_Bond_Donor_Count	5
35802	Non-hydrogen_Atom_Count	23
403647	Structure_Complexity	328
536086	Undefined_Atom_Stereo_Count	0
18645875	Isotope_Atom_Count	0
8995	XLogP3	2.6
71713950	Structure_Complexity	543
10309028	Molecular_Weight	356.4
76229	Tautomer_Count	1
308140	Mono_Isotopic_Weight	374.07903816
88257494	Defined_Atom_Stereo_Count	0
9952	Exact_Mass	309.21040730
156076150	Undefined_Bond_Stereo_Count	0
71517699	Exact_Mass	491.0917843
81183	Hydrogen_Bond_Acceptor_Count	1
3899541	Structure_Complexity	386
22830	Rotatable_Bond_Count	4
69370	Hydrogen_Bond_Donor_Count	2
11970261	Covalent_Unit_Count	3
651751	Total_Formal_Charge	0
19935251	Exact_Mass	97.063997236
24848222	Molecular_Weight	367.5
6713951	Total_Formal_Charge	0
65667	Mono_Isotopic_Weight	577.32641949
132274074	Non-hydrogen_Atom_Count	115
34560	Undefined_Atom_Stereo_Count	0
5284587	Rotatable_Bond_Count	2
24896135	Undefined_Bond_Stereo_Count	0
6327428	Undefined_Bond_Stereo_Count	0
53714679	Rotatable_Bond_Count	0
13158036	Hydrogen_Bond_Acceptor_Count	1
138074	Exact_Mass	98.109550447
92851	Mono_Isotopic_Weight	121.01974964
171375	Hydrogen_Bond_Donor_Count	4
19928	Molecular_Weight	144.55
392622	Molecular_Weight	720.9
92722	Defined_Atom_Stereo_Count	3
72518	Hydrogen_Bond_Donor_Count	5
58506875	Isotope_Atom_Count	0
5078908	Defined_Atom_Stereo_Count	0
115197	Molecular_Weight	74.08
2127	Defined_Atom_Stereo_Count	0
24873157	Defined_Atom_Stereo_Count	0
138510	Rotatable_Bond_Count	1
71584544	Hydrogen_Bond_Acceptor_Count	6
71248	Defined_Atom_Stereo_Count	0
165157	Defined_Bond_Stereo_Count	0
54224045	Structure_Complexity	40.7
5357580	Hydrogen_Bond_Acceptor_Count	4
40390	Rotatable_Bond_Count	3
19933114	Exact_Mass	98.073164938
13450	Hydrogen_Bond_Acceptor_Count	6
93418	Hydrogen_Bond_Donor_Count	5
13799	Covalent_Unit_Count	2
199539	Hydrogen_Bond_Acceptor_Count	1
12397138	Defined_Bond_Stereo_Count	0
54684337	TPSA	182
17522	Tautomer_Count	1
21903	XLogP3-AA	2.4
130611	Covalent_Unit_Count	1
53693033	Rotatable_Bond_Count	2
69332601	Covalent_Unit_Count	1
626732	Undefined_Atom_Stereo_Count	3
517057	Tautomer_Count	1
15741634	Molecular_Weight	101.19
54129211	Molecular_Weight	94.11
4760	Defined_Bond_Stereo_Count	0
21304401	Total_Formal_Charge	0
43295	Total_Formal_Charge	0
162883449	Rotatable_Bond_Count	6
6918076	Covalent_Unit_Count	1
121207424	Isotope_Atom_Count	0
85056	Undefined_Atom_Stereo_Count	0
12278591	Non-hydrogen_Atom_Count	7
5783	Isotope_Atom_Count	0
23663407	Rotatable_Bond_Count	4
7936	Covalent_Unit_Count	1
24191118	Defined_Bond_Stereo_Count	0
46783224	Structure_Complexity	969
131842051	Defined_Atom_Stereo_Count	4
446167	TPSA	91.7
182677	Defined_Bond_Stereo_Count	0
11201358	Rotatable_Bond_Count	2
9855795	Molecular_Weight	204.35
83363	Mono_Isotopic_Weight	270.140850574
11596983	Exact_Mass	422.21066147
2815	Total_Formal_Charge	0
65832	XLogP3	3.8
9865808	Undefined_Bond_Stereo_Count	0
161988362	Exact_Mass	112.088815002
9420	Defined_Atom_Stereo_Count	0
26421	TPSA	20.3
34757	Hydrogen_Bond_Donor_Count	1
10628031	Non-hydrogen_Atom_Count	45
23435	Tautomer_Count	1
25008	Hydrogen_Bond_Donor_Count	0
129456	Undefined_Atom_Stereo_Count	2
5360886	Non-hydrogen_Atom_Count	20
6401302	Total_Formal_Charge	0
24776154	TPSA	82.6
246571	Exact_Mass	196.146329876
702015	Structure_Complexity	352
25087171	Exact_Mass	184.952958
2740171	Exact_Mass	274.0985242
657055	Rotatable_Bond_Count	1
22967002	Isotope_Atom_Count	0
67156338	Covalent_Unit_Count	1
185457	Covalent_Unit_Count	1
117217480	Isotope_Atom_Count	0
439182	Defined_Atom_Stereo_Count	4
21572608	Covalent_Unit_Count	1
1548968	Undefined_Bond_Stereo_Count	0
135413520	Exact_Mass	471.11307191
67416	Tautomer_Count	1
4557	Isotope_Atom_Count	0
94306	Molecular_Weight	154.16
8857	TPSA	26.3
71206	Isotope_Atom_Count	0
2138	Defined_Atom_Stereo_Count	0
10313106	Isotope_Atom_Count	0
60196421	Rotatable_Bond_Count	17
40553	Exact_Mass	313.0981898
284980	Exact_Mass	217.9901349
400772	Undefined_Atom_Stereo_Count	0
67639	Molecular_Weight	332.09
70447154	Total_Formal_Charge	0
9921468	Defined_Atom_Stereo_Count	1
72200166	Mono_Isotopic_Weight	621.32523719
24822701	Isotope_Atom_Count	0
64692	Hydrogen_Bond_Donor_Count	1
16680	TPSA	52.6
4775	Structure_Complexity	137
15587	Structure_Complexity	415
2734243	Undefined_Atom_Stereo_Count	0
6473739	Undefined_Atom_Stereo_Count	1
59018485	Hydrogen_Bond_Acceptor_Count	1
23111554	Undefined_Atom_Stereo_Count	1
242436	Undefined_Atom_Stereo_Count	0
129829002	Structure_Complexity	212
134693234	Undefined_Bond_Stereo_Count	0
10433	Defined_Bond_Stereo_Count	0
23692128	Total_Formal_Charge	0
97065	XLogP3-AA	4
53846429	Hydrogen_Bond_Donor_Count	3
26560	XLogP3-AA	4.1
70443535	Exact_Mass	180.06338810
89613815	XLogP3-AA	0.9
3398	Undefined_Atom_Stereo_Count	1
15810462	Total_Formal_Charge	0
25875	Structure_Complexity	382
71691	Exact_Mass	408.384154838
56840987	Exact_Mass	660.35096247
45375946	TPSA	123
23689390	Defined_Bond_Stereo_Count	0
31005	Undefined_Bond_Stereo_Count	0
2992	Exact_Mass	212.10485899
8730	Undefined_Atom_Stereo_Count	0
22475	Rotatable_Bond_Count	11
14812	Undefined_Atom_Stereo_Count	0
71206	Defined_Bond_Stereo_Count	0
80530	Non-hydrogen_Atom_Count	12
6552009	Molecular_Weight	154.25
2844	Hydrogen_Bond_Acceptor_Count	7
155893624	Exact_Mass	109.052763847
66634681	Defined_Atom_Stereo_Count	0
123519634	Non-hydrogen_Atom_Count	8
518818	Hydrogen_Bond_Donor_Count	0
9793773	Defined_Bond_Stereo_Count	0
5359272	Total_Formal_Charge	0
9915861	Non-hydrogen_Atom_Count	41
43725	Undefined_Atom_Stereo_Count	0
7407	Total_Formal_Charge	0
129148	Covalent_Unit_Count	1
5462442	Hydrogen_Bond_Donor_Count	2
21552514	TPSA	50.1
49132	Rotatable_Bond_Count	5
70046010	Structure_Complexity	108
13743295	Hydrogen_Bond_Donor_Count	0
125892	Non-hydrogen_Atom_Count	53
17819	Defined_Atom_Stereo_Count	0
11743862	Undefined_Bond_Stereo_Count	0
6604365	Hydrogen_Bond_Acceptor_Count	3
9889867	Structure_Complexity	669
156598427	Defined_Atom_Stereo_Count	0
133633	Structure_Complexity	416
101916	Rotatable_Bond_Count	0
12367843	Exact_Mass	108.093900383
59665343	Isotope_Atom_Count	0
82938	Hydrogen_Bond_Donor_Count	0
133662562	Mono_Isotopic_Weight	181.06674293
9954739	Covalent_Unit_Count	1
154518019	Non-hydrogen_Atom_Count	6
18622366	Exact_Mass	112.063662883
4054588	Structure_Complexity	75.6
52885	Hydrogen_Bond_Acceptor_Count	3
107694	TPSA	101
65763	Defined_Bond_Stereo_Count	0
25027363	Defined_Atom_Stereo_Count	11
139211202	XLogP3-AA	4.2
15098633	Covalent_Unit_Count	1
11961423	Hydrogen_Bond_Acceptor_Count	2
8859	Total_Formal_Charge	0
70838	Rotatable_Bond_Count	4
135191	Isotope_Atom_Count	0
3718	TPSA	57.6
23981	Molecular_Weight	151.964
197006	Molecular_Weight	449.7
49853507	Hydrogen_Bond_Acceptor_Count	8
2723694	Covalent_Unit_Count	1
99845	Covalent_Unit_Count	1
198061	XLogP3-AA	3.5
3444	Defined_Bond_Stereo_Count	0
5342002	Molecular_Weight	285.8
69578	Covalent_Unit_Count	1
60203	Defined_Bond_Stereo_Count	0
86042	Undefined_Atom_Stereo_Count	1
12698	Isotope_Atom_Count	0
142914812	Structure_Complexity	70.5
10986305	Undefined_Bond_Stereo_Count	0
9832383	Structure_Complexity	679
65894	Rotatable_Bond_Count	3
11137094	Mono_Isotopic_Weight	94.078250319
5019	Hydrogen_Bond_Donor_Count	3
92041	Hydrogen_Bond_Donor_Count	1
59390227	Mono_Isotopic_Weight	463.22485769
13040869	Covalent_Unit_Count	1
51039095	Total_Formal_Charge	0
5479	Undefined_Bond_Stereo_Count	0
11412863	Exact_Mass	192.0828400
102738	Non-hydrogen_Atom_Count	14
68624	Hydrogen_Bond_Acceptor_Count	8
12038941	Undefined_Atom_Stereo_Count	0
11957491	Mono_Isotopic_Weight	598.00994696
5423	Undefined_Atom_Stereo_Count	1
55478	Non-hydrogen_Atom_Count	26
19966840	Rotatable_Bond_Count	0
11865459	Total_Formal_Charge	1
9829523	Defined_Atom_Stereo_Count	4
13795008	Rotatable_Bond_Count	0
20975302	Mono_Isotopic_Weight	117.042593085
108046	Molecular_Weight	348.4
17179	Molecular_Weight	332.2
12763	Molecular_Weight	126.24
3032571	Exact_Mass	287.886175
135911835	Undefined_Bond_Stereo_Count	0
3824520	TPSA	17.1
9300	Molecular_Weight	291.71
10848	Undefined_Bond_Stereo_Count	0
62398693	Hydrogen_Bond_Donor_Count	1
2782201	Mono_Isotopic_Weight	255.07317976
2761399	Total_Formal_Charge	0
20487874	TPSA	0
135191	Defined_Bond_Stereo_Count	0
160051	Rotatable_Bond_Count	22
3512	Tautomer_Count	2
52948146	Total_Formal_Charge	0
118689592	Structure_Complexity	1220
12309467	Non-hydrogen_Atom_Count	19
24973796	Exact_Mass	99.079647300
7160	TPSA	35.5
25171607	TPSA	86
6993950	Isotope_Atom_Count	0
410029	Exact_Mass	308.9644758
147983909	Covalent_Unit_Count	1
2336	Total_Formal_Charge	0
11051587	Hydrogen_Bond_Donor_Count	0
908	Tautomer_Count	2
92247	Hydrogen_Bond_Acceptor_Count	1
8733	Tautomer_Count	1
10485	Undefined_Bond_Stereo_Count	0
168131	Total_Formal_Charge	1
18397995	Mono_Isotopic_Weight	645.24801352
534959	Isotope_Atom_Count	0
22749	Non-hydrogen_Atom_Count	8
6537495	TPSA	82.3
23287	Defined_Atom_Stereo_Count	0
4168142	Hydrogen_Bond_Acceptor_Count	14
98559	Non-hydrogen_Atom_Count	21
7248	Mono_Isotopic_Weight	121.089149355
3718	Non-hydrogen_Atom_Count	21
20874	Covalent_Unit_Count	1
13134933	Total_Formal_Charge	0
159866	Defined_Bond_Stereo_Count	0
29656	Mono_Isotopic_Weight	102.104465066
5284558	Exact_Mass	588.18429107
57505377	Rotatable_Bond_Count	2
16211656	Total_Formal_Charge	0
9579050	Undefined_Bond_Stereo_Count	0
15577855	Hydrogen_Bond_Donor_Count	0
13019068	Non-hydrogen_Atom_Count	30
5362116	Mono_Isotopic_Weight	452.23112213
22386380	Hydrogen_Bond_Donor_Count	1
77050711	Hydrogen_Bond_Acceptor_Count	13
129629038	Undefined_Bond_Stereo_Count	0
5232593	Non-hydrogen_Atom_Count	5
24771	Non-hydrogen_Atom_Count	4
216225	TPSA	110
991601	Defined_Bond_Stereo_Count	0
2882	Undefined_Atom_Stereo_Count	0
35056	Rotatable_Bond_Count	1
551434	Hydrogen_Bond_Donor_Count	1
5460822	Non-hydrogen_Atom_Count	13
6075	Exact_Mass	310.15036988
44338989	Defined_Atom_Stereo_Count	0
62802	Isotope_Atom_Count	0
65876	Defined_Atom_Stereo_Count	0
123835510	Hydrogen_Bond_Acceptor_Count	3
25015556	Mono_Isotopic_Weight	534.29545371
23565353	Non-hydrogen_Atom_Count	8
140945	Covalent_Unit_Count	1
16721	Defined_Bond_Stereo_Count	0
141869079	Hydrogen_Bond_Donor_Count	2
2091	XLogP3-AA	6.8
513	Molecular_Weight	206.15
13201	Molecular_Weight	116.16
6931238	TPSA	52
6857482	Mono_Isotopic_Weight	222.198365449
72487	Exact_Mass	177.090211983
9954280	Rotatable_Bond_Count	5
153903811	Structure_Complexity	32.9
28207	Rotatable_Bond_Count	3
66908	Defined_Bond_Stereo_Count	0
3823887	TPSA	154
66579015	Total_Formal_Charge	0
45467	Defined_Atom_Stereo_Count	0
37499	Rotatable_Bond_Count	9
2770166	Exact_Mass	131.05171847
155925852	Exact_Mass	820.19737416
124031668	TPSA	26
11679800	XLogP3-AA	2.4
6918097	Covalent_Unit_Count	1
11876	Structure_Complexity	199
31386	Defined_Atom_Stereo_Count	0
285118	Tautomer_Count	1
132804	Isotope_Atom_Count	0
26049	Mono_Isotopic_Weight	136.125200510
138106991	Total_Formal_Charge	0
56669107	Mono_Isotopic_Weight	393.17133645
12749	Mono_Isotopic_Weight	82.053098200
6978	Structure_Complexity	155
18779169	Exact_Mass	112.063662883
54323317	Exact_Mass	303.14705815
23663950	Covalent_Unit_Count	2
593411	Total_Formal_Charge	0
11843834	Isotope_Atom_Count	0
79865794	Rotatable_Bond_Count	0
74320	Tautomer_Count	1
91239905	Rotatable_Bond_Count	0
2061	Tautomer_Count	16
153127831	Isotope_Atom_Count	0
117064644	Undefined_Atom_Stereo_Count	1
10975416	Defined_Atom_Stereo_Count	0
1305	Molecular_Weight	466.7
12003287	Molecular_Weight	180.16
68940	Isotope_Atom_Count	0
12313776	Rotatable_Bond_Count	0
593919	Defined_Atom_Stereo_Count	0
2280	Rotatable_Bond_Count	4
714937	Undefined_Bond_Stereo_Count	0
105426980	Covalent_Unit_Count	1
24636	Undefined_Atom_Stereo_Count	0
22002061	Molecular_Weight	116.16
135643052	Exact_Mass	224.07970687
131167766	Total_Formal_Charge	0
61917	Total_Formal_Charge	0
5369209	Defined_Bond_Stereo_Count	1
12350	TPSA	0
84151	XLogP3	4.5
129680036	Rotatable_Bond_Count	1
140535901	Covalent_Unit_Count	1
10080320	Hydrogen_Bond_Donor_Count	1
5324054	Defined_Atom_Stereo_Count	0
133914	Structure_Complexity	589
21252905	Non-hydrogen_Atom_Count	8
11503692	Molecular_Weight	467.5
76460	Molecular_Weight	715.0
16212746	Molecular_Weight	344.40
59729233	Covalent_Unit_Count	1
20735704	Non-hydrogen_Atom_Count	7
9810929	Defined_Atom_Stereo_Count	9
16560	Total_Formal_Charge	0
8673	Defined_Bond_Stereo_Count	0
11064502	Hydrogen_Bond_Acceptor_Count	7
3033860	Hydrogen_Bond_Donor_Count	0
71449585	Structure_Complexity	611
119489	TPSA	45.4
12701401	Mono_Isotopic_Weight	112.088815002
695314	Hydrogen_Bond_Acceptor_Count	4
13396323	Molecular_Weight	103.16
92626	Hydrogen_Bond_Donor_Count	1
23675947	Structure_Complexity	437
11690378	Structure_Complexity	624
123745949	Rotatable_Bond_Count	2
63985	Hydrogen_Bond_Donor_Count	1
447482	Non-hydrogen_Atom_Count	24
14640738	TPSA	29.5
102102069	Exact_Mass	577.80232
708857	Covalent_Unit_Count	1
443873	Hydrogen_Bond_Donor_Count	3
11271640	Non-hydrogen_Atom_Count	28
8991	Molecular_Weight	152.15
53316398	Covalent_Unit_Count	3
20834260	Isotope_Atom_Count	0
11965427	TPSA	142
18447	TPSA	40
13291788	Non-hydrogen_Atom_Count	7
36811	Total_Formal_Charge	0
459494	Rotatable_Bond_Count	4
16837	Hydrogen_Bond_Acceptor_Count	5
138107644	Hydrogen_Bond_Donor_Count	5
12596780	Covalent_Unit_Count	1
3034479	Molecular_Weight	300.37
13693	Covalent_Unit_Count	1
3037886	Rotatable_Bond_Count	0
73306	TPSA	63.3
10534631	Covalent_Unit_Count	1
7668	Defined_Atom_Stereo_Count	0
457035	Exact_Mass	309.11650692
17754111	Undefined_Bond_Stereo_Count	0
129853561	Covalent_Unit_Count	2
73086	Non-hydrogen_Atom_Count	11
68414798	Covalent_Unit_Count	3
87064	Mono_Isotopic_Weight	195.162314293
10909617	Molecular_Weight	134.22
20387223	Hydrogen_Bond_Acceptor_Count	1
15559154	Covalent_Unit_Count	1
313215	Covalent_Unit_Count	1
18352108	Isotope_Atom_Count	0
18338549	Exact_Mass	111.079647300
108313	XLogP3-AA	3
23462	Undefined_Bond_Stereo_Count	0
18068	Hydrogen_Bond_Donor_Count	9
89311461	Mono_Isotopic_Weight	114.079312947
60155459	Isotope_Atom_Count	0
441414	Defined_Atom_Stereo_Count	4
25014598	Total_Formal_Charge	0
121225388	Defined_Atom_Stereo_Count	12
135802074	Molecular_Weight	601.6
119086017	Rotatable_Bond_Count	1
120081	Undefined_Atom_Stereo_Count	0
67172	Hydrogen_Bond_Acceptor_Count	5
6469	Isotope_Atom_Count	0
1069125	Undefined_Bond_Stereo_Count	0
53490	Hydrogen_Bond_Donor_Count	2
5005	TPSA	95.9
2724	Total_Formal_Charge	0
19067979	Undefined_Atom_Stereo_Count	0
67045	Mono_Isotopic_Weight	284.01030715
2724368	Molecular_Weight	175.12
10510843	Exact_Mass	117.078978594
841083	Total_Formal_Charge	0
101944071	Hydrogen_Bond_Acceptor_Count	4
8063	XLogP3-AA	1.1
72200357	Defined_Bond_Stereo_Count	0
704528	XLogP3-AA	1.5
17480032	Molecular_Weight	343.36
135409474	Covalent_Unit_Count	1
3894573	Defined_Atom_Stereo_Count	0
79276	Rotatable_Bond_Count	19
49756	Hydrogen_Bond_Acceptor_Count	2
6539029	Mono_Isotopic_Weight	465.19469430
45116667	Defined_Atom_Stereo_Count	0
20056814	Hydrogen_Bond_Donor_Count	1
70689446	XLogP3-AA	1.5
672296	Non-hydrogen_Atom_Count	14
22932	Molecular_Weight	390.6
61129	XLogP3-AA	4.3
337100	Isotope_Atom_Count	0
225674	Exact_Mass	220.100048391
77328	Hydrogen_Bond_Acceptor_Count	2
20132002	Hydrogen_Bond_Donor_Count	1
71165	Mono_Isotopic_Weight	288.14739250
12540922	Hydrogen_Bond_Acceptor_Count	1
3842125	Hydrogen_Bond_Donor_Count	2
10290812	Undefined_Atom_Stereo_Count	0
319344	TPSA	42
54393307	Total_Formal_Charge	0
440141	Tautomer_Count	3
118723025	Rotatable_Bond_Count	6
22078297	Hydrogen_Bond_Donor_Count	0
314582	Defined_Atom_Stereo_Count	0
11972518	Molecular_Weight	1111.3
24849132	Defined_Bond_Stereo_Count	0
12393169	Undefined_Bond_Stereo_Count	0
61511	Hydrogen_Bond_Acceptor_Count	6
10964479	Defined_Bond_Stereo_Count	0
53167	Exact_Mass	100.100048391
160534	Molecular_Weight	102.09
824060	TPSA	71.9
29858	Isotope_Atom_Count	0
3674	Molecular_Weight	311.3
51577	Covalent_Unit_Count	1
31842	Undefined_Atom_Stereo_Count	5
45071972	Hydrogen_Bond_Acceptor_Count	3
320459	Undefined_Bond_Stereo_Count	1
6066	Non-hydrogen_Atom_Count	24
102146	Exact_Mass	316.240230259
29025	Mono_Isotopic_Weight	150.104465066
5330	Mono_Isotopic_Weight	280.06301143
24182914	Undefined_Atom_Stereo_Count	0
4570	Structure_Complexity	555
141281584	XLogP3-AA	1.7
616632	Non-hydrogen_Atom_Count	18
27350	Undefined_Bond_Stereo_Count	0
78759348	TPSA	95.6
2346	Exact_Mass	149.02992040
78096	Hydrogen_Bond_Acceptor_Count	4
40496	XLogP3	6.8
25273208	Hydrogen_Bond_Acceptor_Count	3
11215	Rotatable_Bond_Count	2
53784322	TPSA	20.2
68193	Structure_Complexity	261
332389	Total_Formal_Charge	0
50993724	Covalent_Unit_Count	1
129891	Non-hydrogen_Atom_Count	10
13748845	Mono_Isotopic_Weight	405.21403034
1967	Mono_Isotopic_Weight	326.18819469
45256107	Isotope_Atom_Count	0
838868	Undefined_Bond_Stereo_Count	0
31703	Undefined_Atom_Stereo_Count	0
53384398	Covalent_Unit_Count	1
154776153	Rotatable_Bond_Count	0
12576852	Rotatable_Bond_Count	1
14640738	Rotatable_Bond_Count	0
131954763	Hydrogen_Bond_Acceptor_Count	4
68789	Undefined_Atom_Stereo_Count	1
139078440	Defined_Bond_Stereo_Count	0
72311	Covalent_Unit_Count	2
53746047	Structure_Complexity	134
6422843	Undefined_Atom_Stereo_Count	0
54224045	Undefined_Bond_Stereo_Count	0
5433	Undefined_Atom_Stereo_Count	2
4698	XLogP3-AA	3.6
4048819	Mono_Isotopic_Weight	157.110278721
121494046	Molecular_Weight	181.15
3466040	Exact_Mass	268.1798590
3034047	Tautomer_Count	1
20059462	Undefined_Atom_Stereo_Count	3
9585	Hydrogen_Bond_Donor_Count	3
6081	Hydrogen_Bond_Donor_Count	3
23630065	Defined_Atom_Stereo_Count	0
4934	Undefined_Bond_Stereo_Count	0
124992	Tautomer_Count	2
16154396	Hydrogen_Bond_Acceptor_Count	22
40987	Hydrogen_Bond_Donor_Count	3
26955	Structure_Complexity	292
613589	Isotope_Atom_Count	0
67417	Undefined_Atom_Stereo_Count	0
129848458	Total_Formal_Charge	0
6324599	Hydrogen_Bond_Donor_Count	1
2723598	Hydrogen_Bond_Donor_Count	3
7848	Defined_Bond_Stereo_Count	0
151348	Total_Formal_Charge	0
53748491	Exact_Mass	342.11621151
471360	Structure_Complexity	230
134812477	Non-hydrogen_Atom_Count	46
122501	Non-hydrogen_Atom_Count	12
9022	Undefined_Atom_Stereo_Count	0
7793	Isotope_Atom_Count	0
94744	Covalent_Unit_Count	1
3033690	Undefined_Atom_Stereo_Count	0
59172784	Molecular_Weight	95.14
71743843	Undefined_Atom_Stereo_Count	0
135405908	Total_Formal_Charge	0
5267	Molecular_Weight	416.6
3905	Covalent_Unit_Count	1
1256	XLogP3-AA	2.7
12855445	Total_Formal_Charge	0
10000989	TPSA	68
5281066	Molecular_Weight	522.5
135431223	Covalent_Unit_Count	1
78422631	Defined_Atom_Stereo_Count	0
5902	Defined_Bond_Stereo_Count	0
601439	Defined_Atom_Stereo_Count	0
17825297	Total_Formal_Charge	0
15774	Mono_Isotopic_Weight	481.20108287
141583717	Mono_Isotopic_Weight	583.78329
55288133	Defined_Bond_Stereo_Count	0
518760	XLogP3-AA	2.5
3068143	Defined_Atom_Stereo_Count	4
93154	Isotope_Atom_Count	0
155354	Defined_Bond_Stereo_Count	0
470202	XLogP3	2.8
12462027	XLogP3-AA	1
6994	Exact_Mass	122.073164938
13176	Exact_Mass	92.062600255
65772	TPSA	80.2
83795	Molecular_Weight	128.17
71081	Isotope_Atom_Count	0
81364	Tautomer_Count	1
53708408	TPSA	26.3
36149	Covalent_Unit_Count	1
135621753	Undefined_Bond_Stereo_Count	0
87410	Rotatable_Bond_Count	8
644213	Total_Formal_Charge	0
21932259	Undefined_Atom_Stereo_Count	0
135873450	Molecular_Weight	520.16
71141	Mono_Isotopic_Weight	519.06645956
17855362	Non-hydrogen_Atom_Count	6
5777	Covalent_Unit_Count	1
11815279	Rotatable_Bond_Count	2
539121	Hydrogen_Bond_Donor_Count	1
155970341	Structure_Complexity	1680
547935	Hydrogen_Bond_Donor_Count	1
18727536	Undefined_Atom_Stereo_Count	0
137331882	Covalent_Unit_Count	2
570603	Exact_Mass	106.053098200
6458	Hydrogen_Bond_Donor_Count	0
154701841	Non-hydrogen_Atom_Count	29
3413420	Covalent_Unit_Count	1
10302451	Undefined_Bond_Stereo_Count	0
454105	Molecular_Weight	493.6
6434112	Structure_Complexity	688
12215992	Non-hydrogen_Atom_Count	8
11655595	XLogP3	0
13240377	Rotatable_Bond_Count	3
5015	Rotatable_Bond_Count	6
9469	Undefined_Bond_Stereo_Count	0
3167	Hydrogen_Bond_Donor_Count	1
86733068	Defined_Atom_Stereo_Count	0
18696583	Defined_Atom_Stereo_Count	0
13432441	Hydrogen_Bond_Donor_Count	2
31721	TPSA	35.2
68168755	Structure_Complexity	134
123642	Hydrogen_Bond_Acceptor_Count	4
61691030	Total_Formal_Charge	0
69676	XLogP3	2.9
46174070	Exact_Mass	1352.5732147
15448	Hydrogen_Bond_Acceptor_Count	1
49865972	Molecular_Weight	354.4
7881	Defined_Atom_Stereo_Count	0
80421	Molecular_Weight	84.12
130027214	Molecular_Weight	109.13
3776	Tautomer_Count	6
2714	Isotope_Atom_Count	0
10557575	Mono_Isotopic_Weight	871.36264935
18321713	Isotope_Atom_Count	0
96509	Total_Formal_Charge	0
5362119	Mono_Isotopic_Weight	405.22637110
20827794	Hydrogen_Bond_Acceptor_Count	0
91528	Undefined_Atom_Stereo_Count	1
9869776	Hydrogen_Bond_Acceptor_Count	10
260707	XLogP3-AA	1.3
6321411	Undefined_Bond_Stereo_Count	0
9847	XLogP3-AA	1.2
75810	Defined_Atom_Stereo_Count	0
41541	Total_Formal_Charge	0
16720	Non-hydrogen_Atom_Count	12
3017336	Molecular_Weight	114.14
5367785	TPSA	26.3
15356533	TPSA	46.2
10217663	Defined_Bond_Stereo_Count	0
98941	Hydrogen_Bond_Donor_Count	0
23897	Hydrogen_Bond_Acceptor_Count	3
11560	Exact_Mass	169.97311
11644097	TPSA	93
11972518	Mono_Isotopic_Weight	1110.57633051
45116667	Undefined_Atom_Stereo_Count	0
5320621	Structure_Complexity	376
13625	Defined_Bond_Stereo_Count	0
101859897	Hydrogen_Bond_Donor_Count	3
214321	Total_Formal_Charge	0
89164217	Undefined_Atom_Stereo_Count	0
18711391	TPSA	0
1103	Tautomer_Count	1
8783	Undefined_Bond_Stereo_Count	0
44160	Hydrogen_Bond_Acceptor_Count	3
79488	Hydrogen_Bond_Acceptor_Count	1
57563	Hydrogen_Bond_Acceptor_Count	3
3644	Molecular_Weight	440.4
11385	Mono_Isotopic_Weight	194.084398327
9887537	Molecular_Weight	405.5
9868041	Undefined_Bond_Stereo_Count	0
14601425	Undefined_Bond_Stereo_Count	0
123600	Structure_Complexity	227
13654	Structure_Complexity	146
322	Hydrogen_Bond_Acceptor_Count	3
21987892	Isotope_Atom_Count	0
446156	Isotope_Atom_Count	0
169743	Tautomer_Count	2
9570985	TPSA	297
13394149	Hydrogen_Bond_Acceptor_Count	8
60196405	Total_Formal_Charge	0
2723922	TPSA	23.1
84148	XLogP3-AA	0.8
87868	Exact_Mass	242.15180918
711239	XLogP3-AA	3.2
51371486	Mono_Isotopic_Weight	309.06575108
60203	Structure_Complexity	237
22556	Hydrogen_Bond_Acceptor_Count	1
342570	Undefined_Bond_Stereo_Count	0
11979741	Non-hydrogen_Atom_Count	101
68194	Undefined_Bond_Stereo_Count	0
2724032	Non-hydrogen_Atom_Count	11
5282426	Rotatable_Bond_Count	3
5282443	Total_Formal_Charge	0
9969177	TPSA	106
73303	Molecular_Weight	420.5
10302451	Undefined_Atom_Stereo_Count	0
36688137	Non-hydrogen_Atom_Count	25
12561986	Molecular_Weight	92.14
75757	Structure_Complexity	226
23533322	XLogP3-AA	2.3
4489	Non-hydrogen_Atom_Count	51
9901	Exact_Mass	312.208930132
851045	Structure_Complexity	402
6518	XLogP3-AA	1.4
11908488	Undefined_Bond_Stereo_Count	0
53260965	Defined_Atom_Stereo_Count	0
98053103	XLogP3-AA	2.8
133025	Undefined_Bond_Stereo_Count	0
6610	Defined_Bond_Stereo_Count	0
11271730	Molecular_Weight	388.6
13068890	Hydrogen_Bond_Acceptor_Count	1
3016390	Mono_Isotopic_Weight	118.099379685
20821286	XLogP3-AA	0.8
108137	Molecular_Weight	277.32
5360521	Exact_Mass	162.04629874
5361250	Molecular_Weight	198.18
61329	Total_Formal_Charge	0
20516966	Defined_Bond_Stereo_Count	0
22712811	Defined_Bond_Stereo_Count	0
67535	Rotatable_Bond_Count	1
41653	Undefined_Atom_Stereo_Count	0
134689013	TPSA	38.8
99922	Hydrogen_Bond_Donor_Count	1
22486473	Undefined_Bond_Stereo_Count	0
833992	Rotatable_Bond_Count	2
19420003	Rotatable_Bond_Count	1
10026007	Total_Formal_Charge	0
19350299	TPSA	54.3
91148	Isotope_Atom_Count	0
86856	Structure_Complexity	63.5
11009	Covalent_Unit_Count	2
667490	Defined_Atom_Stereo_Count	0
68547	TPSA	99.5
5284623	Defined_Atom_Stereo_Count	7
52940549	Undefined_Atom_Stereo_Count	0
101047267	Structure_Complexity	386
151248	Undefined_Atom_Stereo_Count	0
28107	Mono_Isotopic_Weight	827.46672049
445638	Exact_Mass	254.224580195
12178	Non-hydrogen_Atom_Count	7
12599352	XLogP3-AA	0.5
115817	Exact_Mass	412.0262629
12132667	Non-hydrogen_Atom_Count	7
70991	Structure_Complexity	179
5289373	Mono_Isotopic_Weight	430.23553880
22615	Defined_Atom_Stereo_Count	0
21249654	Covalent_Unit_Count	2
44119980	Hydrogen_Bond_Donor_Count	5
91235442	Rotatable_Bond_Count	0
3019305	Mono_Isotopic_Weight	241.10152556
7943	Undefined_Bond_Stereo_Count	0
123752006	Total_Formal_Charge	0
22286946	Undefined_Atom_Stereo_Count	1
65084	Molecular_Weight	306.27
66558664	Isotope_Atom_Count	0
440175	Defined_Bond_Stereo_Count	0
23663963	Defined_Atom_Stereo_Count	0
53993017	Mono_Isotopic_Weight	196.146329876
18527351	Non-hydrogen_Atom_Count	22
131167766	Hydrogen_Bond_Donor_Count	0
49289	Non-hydrogen_Atom_Count	13
5458589	Non-hydrogen_Atom_Count	30
23665706	Undefined_Bond_Stereo_Count	0
138988041	Undefined_Bond_Stereo_Count	0
140898864	Non-hydrogen_Atom_Count	8
3037456	Total_Formal_Charge	0
7421	Mono_Isotopic_Weight	137.084063974
139024314	TPSA	60.7
37037	Undefined_Atom_Stereo_Count	0
118946	Defined_Bond_Stereo_Count	0
97032	XLogP3	5.4
9855350	TPSA	710
53656122	Exact_Mass	177.07495584
1149	Non-hydrogen_Atom_Count	48
60196259	Non-hydrogen_Atom_Count	35
190818	Molecular_Weight	496.4
24865076	Covalent_Unit_Count	1
131162679	Undefined_Atom_Stereo_Count	2
2734250	TPSA	74.4
1652	Defined_Atom_Stereo_Count	0
68529525	Exact_Mass	102.068079557
6918584	TPSA	995
118917438	Molecular_Weight	115.13
441032	Defined_Atom_Stereo_Count	4
69392	Mono_Isotopic_Weight	72.057514874
86830	Molecular_Weight	523.5
13483371	Isotope_Atom_Count	0
44603531	Covalent_Unit_Count	1
135554441	Isotope_Atom_Count	0
519418	Mono_Isotopic_Weight	157.0658271
13223	XLogP3-AA	0.7
45085029	Undefined_Atom_Stereo_Count	1
134693315	XLogP3	1.4
22398442	Structure_Complexity	161
34072	Defined_Bond_Stereo_Count	0
82646	Hydrogen_Bond_Acceptor_Count	3
30292	TPSA	30.7
141545	Mono_Isotopic_Weight	109.089149355
135564558	Isotope_Atom_Count	0
9033	Molecular_Weight	43.07
79693	Non-hydrogen_Atom_Count	14
129653419	Defined_Bond_Stereo_Count	0
10405318	Undefined_Atom_Stereo_Count	0
5280435	Isotope_Atom_Count	0
23676704	Isotope_Atom_Count	0
54266316	Rotatable_Bond_Count	2
1688	Rotatable_Bond_Count	1
48279	Tautomer_Count	1
657298	Mono_Isotopic_Weight	170.05138412
43818	Structure_Complexity	372
16351	Undefined_Atom_Stereo_Count	0
20969	Hydrogen_Bond_Acceptor_Count	5
66992840	Total_Formal_Charge	0
8786	Hydrogen_Bond_Acceptor_Count	2
135410344	Isotope_Atom_Count	0
24623	Tautomer_Count	1
2225	Rotatable_Bond_Count	7
12350	Total_Formal_Charge	0
71152	Tautomer_Count	4
3178	Molecular_Weight	443.5
3000668	Hydrogen_Bond_Donor_Count	1
102249560	Hydrogen_Bond_Donor_Count	3
85792	Non-hydrogen_Atom_Count	14
3032285	Defined_Atom_Stereo_Count	0
76922	Structure_Complexity	92.3
9800194	Exact_Mass	383.09734851
701923	Defined_Atom_Stereo_Count	1
7086	Isotope_Atom_Count	0
59557415	Hydrogen_Bond_Donor_Count	2
12882502	Exact_Mass	112.088815002
25001850	Undefined_Atom_Stereo_Count	0
2736	Molecular_Weight	412.6
2973198	Hydrogen_Bond_Acceptor_Count	4
12550	Undefined_Bond_Stereo_Count	0
4418	TPSA	45.2
6918188	Undefined_Atom_Stereo_Count	0
4604180	Defined_Atom_Stereo_Count	0
6426685	Total_Formal_Charge	0
134129845	Hydrogen_Bond_Donor_Count	12
673681	Tautomer_Count	5
5792	Rotatable_Bond_Count	2
71587637	XLogP3-AA	3.9
51030529	Undefined_Bond_Stereo_Count	0
16757678	Molecular_Weight	288.4
143440	Hydrogen_Bond_Acceptor_Count	2
2522	Tautomer_Count	1
3086637	Hydrogen_Bond_Acceptor_Count	10
31573	Covalent_Unit_Count	1
3033825	Tautomer_Count	9
6866	Mono_Isotopic_Weight	196.9799046
101630689	Defined_Bond_Stereo_Count	0
53470	Isotope_Atom_Count	0
93186	Mono_Isotopic_Weight	154.135765193
1345	XLogP3-AA	5.5
2724054	Defined_Atom_Stereo_Count	0
15567528	Exact_Mass	112.063662883
154809859	Hydrogen_Bond_Acceptor_Count	14
50112	Undefined_Atom_Stereo_Count	9
54393307	Hydrogen_Bond_Donor_Count	0
3003	Exact_Mass	392.19990218
12548640	Isotope_Atom_Count	0
52343	Molecular_Weight	289.25
102090390	Hydrogen_Bond_Acceptor_Count	0
15877745	Defined_Atom_Stereo_Count	0
3309	Total_Formal_Charge	0
74062	Rotatable_Bond_Count	0
20587905	Covalent_Unit_Count	2
19822625	Defined_Atom_Stereo_Count	0
15438	Exact_Mass	222.06742811
104805	Hydrogen_Bond_Acceptor_Count	6
136729	Structure_Complexity	66.4
71713950	Defined_Bond_Stereo_Count	0
66615270	Isotope_Atom_Count	0
159055	Tautomer_Count	2
20784557	Undefined_Atom_Stereo_Count	0
5280649	Mono_Isotopic_Weight	144.102453689
5289162	Hydrogen_Bond_Acceptor_Count	6
5284409	Structure_Complexity	350
4878	Molecular_Weight	301.77
587322	Rotatable_Bond_Count	6
4268635	Defined_Bond_Stereo_Count	0
90988075	Covalent_Unit_Count	1
11950726	Isotope_Atom_Count	0
165151	Molecular_Weight	306.21
3032282	Rotatable_Bond_Count	40
13316162	Exact_Mass	116.120115130
14022499	TPSA	50.5
616	TPSA	185
80220	Hydrogen_Bond_Donor_Count	2
26421	Defined_Atom_Stereo_Count	0
88226977	Non-hydrogen_Atom_Count	8
1236	Non-hydrogen_Atom_Count	45
4432	Hydrogen_Bond_Acceptor_Count	3
75227	Rotatable_Bond_Count	1
3037914	Non-hydrogen_Atom_Count	28
11695008	Hydrogen_Bond_Acceptor_Count	1
15145	Hydrogen_Bond_Acceptor_Count	1
7619	Covalent_Unit_Count	1
91031492	Defined_Atom_Stereo_Count	1
9909912	Structure_Complexity	108
59830693	Undefined_Bond_Stereo_Count	0
556998	Defined_Bond_Stereo_Count	0
13104807	Undefined_Bond_Stereo_Count	0
88955311	Hydrogen_Bond_Acceptor_Count	2
16760	Structure_Complexity	219
123969926	Undefined_Bond_Stereo_Count	0
6307	Exact_Mass	289.0287901
2487	Undefined_Atom_Stereo_Count	3
156591873	Exact_Mass	657.5337115
23700091	Structure_Complexity	218
498650	Undefined_Bond_Stereo_Count	1
28620	Molecular_Weight	943.1
59774	Hydrogen_Bond_Acceptor_Count	4
19588	Molecular_Weight	207.27
18053	Defined_Atom_Stereo_Count	0
5363229	Tautomer_Count	5
24848419	Molecular_Weight	420.5
152	Non-hydrogen_Atom_Count	18
60196372	Isotope_Atom_Count	0
67268	Defined_Atom_Stereo_Count	0
67330085	Exact_Mass	526.14461000
12743036	Defined_Bond_Stereo_Count	0
71365	Isotope_Atom_Count	0
5206	Total_Formal_Charge	0
4938	Isotope_Atom_Count	0
129195194	Covalent_Unit_Count	1
162059	Rotatable_Bond_Count	0
12414299	Rotatable_Bond_Count	0
197712	Structure_Complexity	475
59317190	Defined_Atom_Stereo_Count	1
42163	Non-hydrogen_Atom_Count	21
5289514	Covalent_Unit_Count	1
10429215	Defined_Bond_Stereo_Count	0
86646597	Mono_Isotopic_Weight	281.05442107
57871279	Covalent_Unit_Count	1
117736498	TPSA	13.1
35489	Structure_Complexity	384
3014538	Undefined_Atom_Stereo_Count	1
74574	Total_Formal_Charge	0
9106	Total_Formal_Charge	0
7620	Undefined_Atom_Stereo_Count	0
18414892	Hydrogen_Bond_Acceptor_Count	4
124427926	Covalent_Unit_Count	1
135860757	Molecular_Weight	389.9
47024	Tautomer_Count	2
64302	Hydrogen_Bond_Donor_Count	2
30819	Hydrogen_Bond_Donor_Count	4
86062	Isotope_Atom_Count	0
68437	Tautomer_Count	1
14985552	Undefined_Atom_Stereo_Count	0
55146	Tautomer_Count	2
6498	Rotatable_Bond_Count	0
4603	XLogP3-AA	1.1
15096	Undefined_Bond_Stereo_Count	0
31343	Undefined_Atom_Stereo_Count	1
6435397	Defined_Atom_Stereo_Count	0
7680	Covalent_Unit_Count	1
21312986	Mono_Isotopic_Weight	112.063662883
21405	Defined_Bond_Stereo_Count	0
84531	Non-hydrogen_Atom_Count	11
44144829	Undefined_Bond_Stereo_Count	0
12497740	Rotatable_Bond_Count	2
23276	Undefined_Bond_Stereo_Count	0
82588	Tautomer_Count	2
134338399	Mono_Isotopic_Weight	108.032362755
19602	Defined_Atom_Stereo_Count	0
80426	Undefined_Atom_Stereo_Count	0
144546	Hydrogen_Bond_Acceptor_Count	0
9827982	Structure_Complexity	398
72137	Isotope_Atom_Count	0
5282387	Undefined_Bond_Stereo_Count	0
138493	Defined_Atom_Stereo_Count	0
62237	Mono_Isotopic_Weight	118.04523611
27808	Tautomer_Count	3
378532	Molecular_Weight	206.15
135403828	Mono_Isotopic_Weight	473.16589610
129854350	Mono_Isotopic_Weight	110.048012819
53815669	Non-hydrogen_Atom_Count	7
9832750	Defined_Atom_Stereo_Count	19
11964036	XLogP3-AA	4.9
154825540	Hydrogen_Bond_Donor_Count	3
71456725	Isotope_Atom_Count	0
7838	Non-hydrogen_Atom_Count	8
5322111	Isotope_Atom_Count	0
60196304	Undefined_Atom_Stereo_Count	2
78090	Defined_Atom_Stereo_Count	0
13072114	Structure_Complexity	274
7987	Hydrogen_Bond_Acceptor_Count	6
7238	Defined_Atom_Stereo_Count	0
287	Undefined_Atom_Stereo_Count	2
5327011	Defined_Bond_Stereo_Count	0
3034372	Structure_Complexity	106
37274	Molecular_Weight	325.79
397	Structure_Complexity	205
54592009	Undefined_Bond_Stereo_Count	0
3795	Structure_Complexity	390
198791	Molecular_Weight	293.12
11970126	Non-hydrogen_Atom_Count	12
141319360	Covalent_Unit_Count	1
90766	Structure_Complexity	130
69086581	Total_Formal_Charge	0
88483	Mono_Isotopic_Weight	115.063328530
119432	TPSA	1
64813	Exact_Mass	178.099379685
548	Defined_Atom_Stereo_Count	0
42627755	Mono_Isotopic_Weight	332.14979254
5281670	Rotatable_Bond_Count	1
6857474	Undefined_Bond_Stereo_Count	0
96379	Rotatable_Bond_Count	6
67375395	Mono_Isotopic_Weight	411.16952493
64968	Defined_Bond_Stereo_Count	0
154107800	Hydrogen_Bond_Acceptor_Count	2
6918303	Defined_Atom_Stereo_Count	2
54285331	Mono_Isotopic_Weight	96.057514874
305444	Covalent_Unit_Count	1
3045407	Non-hydrogen_Atom_Count	42
5330175	TPSA	68.7
424354	Covalent_Unit_Count	1
134070	XLogP3-AA	5.1
4767	Structure_Complexity	512
6436059	Covalent_Unit_Count	1
449688	Undefined_Bond_Stereo_Count	0
10102486	Structure_Complexity	1640
10276962	Structure_Complexity	531
65985700	Undefined_Atom_Stereo_Count	1
45275554	Undefined_Bond_Stereo_Count	0
546259	Mono_Isotopic_Weight	192.151415257
129	Covalent_Unit_Count	1
72941990	Hydrogen_Bond_Acceptor_Count	6
12285890	Undefined_Atom_Stereo_Count	1
16089914	Mono_Isotopic_Weight	435.10452
22459	Rotatable_Bond_Count	0
36037	Mono_Isotopic_Weight	267.173547683
135391144	Defined_Atom_Stereo_Count	20
6432434	Mono_Isotopic_Weight	332.23514488
71624345	XLogP3-AA	1.6
56338	Structure_Complexity	536
3403	Hydrogen_Bond_Donor_Count	3
135536952	Structure_Complexity	1100
24848375	Structure_Complexity	466
74431	Hydrogen_Bond_Acceptor_Count	2
53796209	Covalent_Unit_Count	1
6450816	Undefined_Bond_Stereo_Count	0
6438376	Isotope_Atom_Count	0
18048	Undefined_Atom_Stereo_Count	0
14494974	XLogP3-AA	0.9
66545744	TPSA	58.7
3650	Structure_Complexity	183
15565287	Molecular_Weight	108.18
93147	Isotope_Atom_Count	0
15457	Hydrogen_Bond_Donor_Count	0
17922642	Hydrogen_Bond_Acceptor_Count	1
4953	TPSA	74.6
135400183	XLogP3-AA	0.3
2733352	Undefined_Bond_Stereo_Count	0
17745	Isotope_Atom_Count	0
66586067	Covalent_Unit_Count	2
157857	Hydrogen_Bond_Donor_Count	1
67569543	Covalent_Unit_Count	1
12386877	Undefined_Bond_Stereo_Count	0
546877	Hydrogen_Bond_Acceptor_Count	2
11162	Defined_Atom_Stereo_Count	0
6946681	Covalent_Unit_Count	1
47328	Total_Formal_Charge	0
197081	Tautomer_Count	171
10894	Total_Formal_Charge	0
11908488	Undefined_Atom_Stereo_Count	0
88941292	Total_Formal_Charge	0
130271321	Non-hydrogen_Atom_Count	8
54092188	Isotope_Atom_Count	0
645691	Undefined_Atom_Stereo_Count	0
642240	Defined_Bond_Stereo_Count	1
6620134	Structure_Complexity	702
60956	Tautomer_Count	1
11543	Structure_Complexity	48.1
2866	Mono_Isotopic_Weight	354.19434270
23729666	Hydrogen_Bond_Acceptor_Count	2
7853	Isotope_Atom_Count	0
420	Isotope_Atom_Count	0
9797059	Molecular_Weight	318.30
85356809	Molecular_Weight	116.11
43594	Molecular_Weight	542.6
136346	TPSA	40.5
24247	Non-hydrogen_Atom_Count	5
3541	Defined_Bond_Stereo_Count	0
2794	Undefined_Bond_Stereo_Count	0
23505018	Structure_Complexity	61.5
603227	Defined_Bond_Stereo_Count	0
71530	XLogP3-AA	3.8
11340940	Total_Formal_Charge	0
36920	Hydrogen_Bond_Acceptor_Count	4
62343	Defined_Bond_Stereo_Count	0
12717	Hydrogen_Bond_Donor_Count	2
62479	Molecular_Weight	390.44
10129907	Structure_Complexity	79
46830239	TPSA	71.6
92089	Hydrogen_Bond_Acceptor_Count	5
21666609	TPSA	20.3
82763	Total_Formal_Charge	0
23262319	Isotope_Atom_Count	0
17961316	Exact_Mass	101.047678466
6451477	Tautomer_Count	1
34698	Mono_Isotopic_Weight	656.15636224
5284596	Molecular_Weight	327.4
9952396	Defined_Bond_Stereo_Count	0
12444348	TPSA	20.2
3058839	Molecular_Weight	262.34
53316386	Non-hydrogen_Atom_Count	36
95187	Undefined_Atom_Stereo_Count	0
18460542	Structure_Complexity	74.6
90915688	Mono_Isotopic_Weight	99.104799419
60870	Mono_Isotopic_Weight	420.11437830
139059561	Hydrogen_Bond_Acceptor_Count	6
6580	Covalent_Unit_Count	1
14416018	Rotatable_Bond_Count	0
97043	Isotope_Atom_Count	0
448457	Total_Formal_Charge	0
10248	Total_Formal_Charge	0
68167579	Defined_Atom_Stereo_Count	4
4333	Undefined_Atom_Stereo_Count	2
136674	Total_Formal_Charge	0
6917831	Hydrogen_Bond_Acceptor_Count	9
2590	Undefined_Atom_Stereo_Count	8
11417567	Total_Formal_Charge	0
23158108	Structure_Complexity	51.9
8519	Defined_Atom_Stereo_Count	0
184653	Hydrogen_Bond_Acceptor_Count	1
5284461	TPSA	121
25522	Non-hydrogen_Atom_Count	24
24723	Defined_Bond_Stereo_Count	0
86260793	Undefined_Bond_Stereo_Count	0
74823	Mono_Isotopic_Weight	246.0447573
12405	Undefined_Bond_Stereo_Count	0
71113	Hydrogen_Bond_Donor_Count	1
137699570	Hydrogen_Bond_Donor_Count	6
12515628	Covalent_Unit_Count	1
44244962	Exact_Mass	258.11033829
139030531	XLogP3-AA	4.1
9909392	Non-hydrogen_Atom_Count	29
2772	Rotatable_Bond_Count	10
4633677	Hydrogen_Bond_Acceptor_Count	5
58196257	Undefined_Bond_Stereo_Count	0
2804680	Mono_Isotopic_Weight	283.0211625
4231972	Molecular_Weight	110.11
969105	Undefined_Atom_Stereo_Count	0
19778718	Mono_Isotopic_Weight	112.052429494
9486	Defined_Bond_Stereo_Count	0
92237	TPSA	202
55212037	Hydrogen_Bond_Acceptor_Count	4
11363176	Molecular_Weight	461.0
6927	Defined_Atom_Stereo_Count	0
44410953	Structure_Complexity	617
42611257	Molecular_Weight	489.9
67975127	Isotope_Atom_Count	0
91169276	Hydrogen_Bond_Acceptor_Count	3
60050	Hydrogen_Bond_Acceptor_Count	4
21538770	Total_Formal_Charge	0
22016536	Mono_Isotopic_Weight	424.25733687
10975460	Structure_Complexity	106
21713016	Undefined_Bond_Stereo_Count	0
11072675	Isotope_Atom_Count	0
5280445	Undefined_Atom_Stereo_Count	0
40512	Mono_Isotopic_Weight	216.14739250
12295224	Mono_Isotopic_Weight	112.063662883
81946	Covalent_Unit_Count	1
70443535	Covalent_Unit_Count	1
4332	Covalent_Unit_Count	1
3033673	Defined_Atom_Stereo_Count	0
6166	Non-hydrogen_Atom_Count	24
123704723	Rotatable_Bond_Count	1
70715	Molecular_Weight	96.09
24748573	Non-hydrogen_Atom_Count	25
447249	Rotatable_Bond_Count	7
14355861	Undefined_Atom_Stereo_Count	0
11061	TPSA	45.6
698931	Isotope_Atom_Count	0
60196404	Hydrogen_Bond_Donor_Count	1
15652148	Undefined_Atom_Stereo_Count	0
107867	Undefined_Atom_Stereo_Count	1
131740853	Total_Formal_Charge	0
9765	Exact_Mass	182.01064
91414	Undefined_Atom_Stereo_Count	0
253613	XLogP3-AA	5.6
7470	Covalent_Unit_Count	1
137704528	Defined_Atom_Stereo_Count	1
527559	Rotatable_Bond_Count	2
9949821	Molecular_Weight	340.3
3955	Isotope_Atom_Count	0
984411	TPSA	113
136920818	Hydrogen_Bond_Acceptor_Count	3
104048363	Mono_Isotopic_Weight	107.048347172
8512	TPSA	54.4
11446308	Undefined_Atom_Stereo_Count	0
59283	TPSA	41
524646	Undefined_Atom_Stereo_Count	2
9576814	Exact_Mass	228.183778013
90878759	Defined_Bond_Stereo_Count	0
54057642	Total_Formal_Charge	0
69046	XLogP3-AA	3.6
4132	Covalent_Unit_Count	1
9835852	TPSA	67.6
21365956	Covalent_Unit_Count	1
10424358	Isotope_Atom_Count	0
85705001	Defined_Atom_Stereo_Count	0
11370864	Mono_Isotopic_Weight	327.1156697
55223	Total_Formal_Charge	0
87224935	Mono_Isotopic_Weight	166.099379685
11611402	Undefined_Atom_Stereo_Count	1
70683091	Structure_Complexity	683
297618	Undefined_Bond_Stereo_Count	0
73425158	Structure_Complexity	138
57978852	Mono_Isotopic_Weight	115.063328530
62705686	Defined_Bond_Stereo_Count	0
768	Isotope_Atom_Count	0
61222	Undefined_Atom_Stereo_Count	0
23571381	Isotope_Atom_Count	0
9795291	Isotope_Atom_Count	0
52950209	Covalent_Unit_Count	1
10129911	Defined_Atom_Stereo_Count	0
8692	Isotope_Atom_Count	0
10162742	Hydrogen_Bond_Donor_Count	2
43389	Hydrogen_Bond_Donor_Count	0
61055	Molecular_Weight	144.21
89921642	Isotope_Atom_Count	0
57358267	Mono_Isotopic_Weight	279.0428987
6713428	Hydrogen_Bond_Acceptor_Count	2
24868267	Undefined_Bond_Stereo_Count	0
4487	Defined_Bond_Stereo_Count	0
3475	Hydrogen_Bond_Donor_Count	2
124708040	Rotatable_Bond_Count	4
1736	Undefined_Atom_Stereo_Count	3
12444627	Tautomer_Count	83
10898	Covalent_Unit_Count	1
5284580	Undefined_Atom_Stereo_Count	1
6610292	Structure_Complexity	568
15903	Exact_Mass	114.068079557
71469	Molecular_Weight	1092.2
59392388	Undefined_Atom_Stereo_Count	0
2272	TPSA	24.7
638071	Undefined_Atom_Stereo_Count	0
49426	Rotatable_Bond_Count	8
3708	Exact_Mass	342.03104260
139	Covalent_Unit_Count	1
66679	Non-hydrogen_Atom_Count	12
74867	Exact_Mass	220.088815002
66558858	Hydrogen_Bond_Donor_Count	2
135887820	XLogP3-AA	6.7
18278	Hydrogen_Bond_Donor_Count	4
969105	Defined_Atom_Stereo_Count	0
3776	Hydrogen_Bond_Acceptor_Count	1
5354035	Hydrogen_Bond_Donor_Count	1
170254	Total_Formal_Charge	0
9446	Defined_Bond_Stereo_Count	0
8407	Undefined_Bond_Stereo_Count	0
78858	Total_Formal_Charge	0
265237	Rotatable_Bond_Count	3
18497	Total_Formal_Charge	0
44208919	Hydrogen_Bond_Acceptor_Count	5
10444	Mono_Isotopic_Weight	89.02992040
118994155	Structure_Complexity	147
2735078	Covalent_Unit_Count	1
66295	Mono_Isotopic_Weight	84.057514874
15291	Rotatable_Bond_Count	3
84531	Tautomer_Count	1
42153	Defined_Atom_Stereo_Count	0
68745835	Undefined_Bond_Stereo_Count	0
96420	Defined_Bond_Stereo_Count	0
71449585	Undefined_Bond_Stereo_Count	0
17043	Rotatable_Bond_Count	12
398747	TPSA	182
4323	Non-hydrogen_Atom_Count	27
14920523	Defined_Atom_Stereo_Count	0
121750	Structure_Complexity	503
74811	Hydrogen_Bond_Acceptor_Count	2
550830	Undefined_Atom_Stereo_Count	2
11416891	Non-hydrogen_Atom_Count	23
140554	Molecular_Weight	112.17
60985	Defined_Atom_Stereo_Count	0
155903767	Hydrogen_Bond_Donor_Count	5
304497	TPSA	87
13740445	Molecular_Weight	97.12
131968259	Rotatable_Bond_Count	3
5362792	Molecular_Weight	142.24
452110	Isotope_Atom_Count	0
4680	Tautomer_Count	5
40753	Hydrogen_Bond_Acceptor_Count	4
13065	Hydrogen_Bond_Acceptor_Count	0
15601	Hydrogen_Bond_Acceptor_Count	4
4896	Undefined_Bond_Stereo_Count	0
5311498	Defined_Bond_Stereo_Count	3
18950548	Covalent_Unit_Count	1
44558536	Structure_Complexity	387
96807	Defined_Atom_Stereo_Count	1
21330	Undefined_Bond_Stereo_Count	0
13990016	Isotope_Atom_Count	0
178096	Hydrogen_Bond_Acceptor_Count	2
11751490	Defined_Atom_Stereo_Count	1
98310	Undefined_Bond_Stereo_Count	0
5317426	Undefined_Bond_Stereo_Count	0
139444	Undefined_Atom_Stereo_Count	4
56670458	Molecular_Weight	477.9
5324289	Molecular_Weight	311.4
44125988	Molecular_Weight	366.5
57398260	Hydrogen_Bond_Donor_Count	2
105	Non-hydrogen_Atom_Count	11
101601898	Molecular_Weight	304.4
86388	Non-hydrogen_Atom_Count	25
6713368	Hydrogen_Bond_Acceptor_Count	1
11672764	Hydrogen_Bond_Acceptor_Count	6
129688311	Exact_Mass	1030.35880530
443067	Defined_Atom_Stereo_Count	1
44577843	Covalent_Unit_Count	1
710649	Molecular_Weight	318.4
12252708	Hydrogen_Bond_Donor_Count	2
12275055	Rotatable_Bond_Count	0
58407	Isotope_Atom_Count	0
5289531	Molecular_Weight	612.8
44310763	Defined_Bond_Stereo_Count	0
638278	Hydrogen_Bond_Donor_Count	3
10903	Defined_Bond_Stereo_Count	0
550811	Covalent_Unit_Count	1
139211202	Hydrogen_Bond_Acceptor_Count	7
84487	Rotatable_Bond_Count	12
22061628	Defined_Bond_Stereo_Count	0
104746	Undefined_Bond_Stereo_Count	0
141330	Defined_Atom_Stereo_Count	0
71895	Exact_Mass	269.10519334
1093	Covalent_Unit_Count	1
5276614	TPSA	38.7
16211032	Non-hydrogen_Atom_Count	23
40467053	Rotatable_Bond_Count	2
129821645	Defined_Bond_Stereo_Count	0
20521791	Structure_Complexity	159
27712	Exact_Mass	335.15214353
442793	Structure_Complexity	293
58937356	Structure_Complexity	134
3378440	TPSA	166
43905	Undefined_Bond_Stereo_Count	0
498158	Hydrogen_Bond_Donor_Count	4
115011064	Mono_Isotopic_Weight	114.068079557
80	Molecular_Weight	172.13
102855	Undefined_Atom_Stereo_Count	1
49869040	XLogP3-AA	3.3
4662	Molecular_Weight	833.4
153976605	Defined_Atom_Stereo_Count	0
17510	Hydrogen_Bond_Acceptor_Count	3
527072	Undefined_Bond_Stereo_Count	0
44586473	Total_Formal_Charge	0
7697	Tautomer_Count	1
79161	Undefined_Atom_Stereo_Count	0
49866505	Isotope_Atom_Count	0
82593536	Covalent_Unit_Count	1
1492348	TPSA	98.3
91826463	Exact_Mass	434.21046687
71857	Non-hydrogen_Atom_Count	27
536683	Molecular_Weight	73.09
963264	Total_Formal_Charge	0
20220664	Hydrogen_Bond_Acceptor_Count	2
57449500	Mono_Isotopic_Weight	95.073499291
58438464	Molecular_Weight	512.7
143159723	XLogP3-AA	1
66509091	Mono_Isotopic_Weight	915.51914999
23468439	Hydrogen_Bond_Donor_Count	0
230920	Molecular_Weight	154.25
46936900	TPSA	169
58750499	Hydrogen_Bond_Acceptor_Count	2
11850899	Non-hydrogen_Atom_Count	24
2729	TPSA	28.5
630	Non-hydrogen_Atom_Count	13
68030	Defined_Atom_Stereo_Count	0
6419884	Covalent_Unit_Count	2
9664	XLogP3-AA	1.5
5284584	Total_Formal_Charge	0
12282	Exact_Mass	455.7369
57392006	XLogP3-AA	3.3
92303	Structure_Complexity	448
667498	Defined_Bond_Stereo_Count	0
354520	Non-hydrogen_Atom_Count	20
18618975	Non-hydrogen_Atom_Count	8
133667882	Hydrogen_Bond_Acceptor_Count	1
86007746	TPSA	46.6
421610	Rotatable_Bond_Count	7
54607635	Non-hydrogen_Atom_Count	32
83322	Undefined_Bond_Stereo_Count	0
439156	Defined_Bond_Stereo_Count	0
91555	TPSA	52
10785	Molecular_Weight	114.14
11519741	Structure_Complexity	647
12830793	XLogP3-AA	1.8
75073	Covalent_Unit_Count	1
71196	Undefined_Atom_Stereo_Count	0
79878	Hydrogen_Bond_Acceptor_Count	5
12210512	Non-hydrogen_Atom_Count	6
10715	Undefined_Bond_Stereo_Count	0
12008703	Undefined_Atom_Stereo_Count	0
4032	Mono_Isotopic_Weight	167.167399674
14181658	Defined_Atom_Stereo_Count	4
149096	Tautomer_Count	1
111318	Hydrogen_Bond_Donor_Count	0
44392244	Defined_Bond_Stereo_Count	0
62097	XLogP3-AA	2.1
3033151	Rotatable_Bond_Count	6
21930812	Rotatable_Bond_Count	2
76970981	Hydrogen_Bond_Donor_Count	1
65535	TPSA	31.8
208920	Exact_Mass	620.38656014
14027216	TPSA	26.3
3085877	Structure_Complexity	227
135476770	Structure_Complexity	437
16038399	Hydrogen_Bond_Acceptor_Count	5
72551585	Non-hydrogen_Atom_Count	42
16133899	Exact_Mass	6093.0853594
70400351	Hydrogen_Bond_Donor_Count	1
83639	Structure_Complexity	224
20226563	Total_Formal_Charge	0
476260	Undefined_Bond_Stereo_Count	0
15570	XLogP3	0.5
3082717	Isotope_Atom_Count	0
24005	TPSA	20.2
3578945	Undefined_Atom_Stereo_Count	0
16003447	Molecular_Weight	286.29
53232451	Total_Formal_Charge	0
2306	Isotope_Atom_Count	0
78202	Rotatable_Bond_Count	14
1894	Total_Formal_Charge	0
535824	Structure_Complexity	66.7
1084	Exact_Mass	111.92888620
151172	Total_Formal_Charge	0
15090448	Defined_Bond_Stereo_Count	0
96490	Covalent_Unit_Count	1
59296100	Molecular_Weight	460.9
129848667	Non-hydrogen_Atom_Count	29
10333641	Mono_Isotopic_Weight	275.93957
14274724	Total_Formal_Charge	0
46783812	Defined_Bond_Stereo_Count	0
11953895	Tautomer_Count	1
11217523	Defined_Bond_Stereo_Count	0
129794341	Undefined_Bond_Stereo_Count	0
5281801	Mono_Isotopic_Weight	286.04773803
12242810	Defined_Atom_Stereo_Count	3
23663959	Isotope_Atom_Count	0
20435525	Total_Formal_Charge	1
71651624	Total_Formal_Charge	0
493570	Exact_Mass	376.13828437
9961	Mono_Isotopic_Weight	124.03358575
24916869	Hydrogen_Bond_Acceptor_Count	5
93131	Isotope_Atom_Count	0
610072	Undefined_Bond_Stereo_Count	0
156838775	Rotatable_Bond_Count	0
24090	Hydrogen_Bond_Acceptor_Count	0
23693092	Hydrogen_Bond_Acceptor_Count	6
30487	Isotope_Atom_Count	0
7722	Non-hydrogen_Atom_Count	9
23667626	Hydrogen_Bond_Acceptor_Count	26
12370	Covalent_Unit_Count	1
46324	Hydrogen_Bond_Donor_Count	1
86912	Molecular_Weight	392.89
38286	Covalent_Unit_Count	2
13327309	Hydrogen_Bond_Acceptor_Count	2
5087	Exact_Mass	278.16304257
2687	Undefined_Atom_Stereo_Count	1
364849	Isotope_Atom_Count	0
8222	Undefined_Atom_Stereo_Count	0
447277	Non-hydrogen_Atom_Count	29
19803703	Covalent_Unit_Count	1
9228	Exact_Mass	119.037113783
55290981	Defined_Atom_Stereo_Count	0
77077	Covalent_Unit_Count	1
67329	Hydrogen_Bond_Acceptor_Count	6
11849	Covalent_Unit_Count	1
87663787	XLogP3-AA	0.6
71463896	Exact_Mass	512.35017463
90487871	Molecular_Weight	111.14
22315763	Undefined_Atom_Stereo_Count	0
9846078	Defined_Atom_Stereo_Count	1
4536	XLogP3	3
54689800	Rotatable_Bond_Count	4
609	Rotatable_Bond_Count	3
91754	Hydrogen_Bond_Donor_Count	0
54753	Covalent_Unit_Count	1
9821849	Molecular_Weight	391.5
11521070	Mono_Isotopic_Weight	99.068413911
3035905	Defined_Bond_Stereo_Count	0
24916942	Exact_Mass	654.27615838
11083822	Hydrogen_Bond_Acceptor_Count	1
11623676	Mono_Isotopic_Weight	305.152812238
8888	Undefined_Atom_Stereo_Count	1
7015	Defined_Atom_Stereo_Count	0
415868	Non-hydrogen_Atom_Count	25
10975445	Non-hydrogen_Atom_Count	8
5355751	Isotope_Atom_Count	0
61011	Total_Formal_Charge	0
92515	Isotope_Atom_Count	0
89651175	XLogP3-AA	0.6
155804760	Defined_Bond_Stereo_Count	0
13443454	Undefined_Bond_Stereo_Count	0
105426944	Defined_Bond_Stereo_Count	0
193214	Molecular_Weight	116.11
16749605	Rotatable_Bond_Count	11
131059	Defined_Bond_Stereo_Count	0
25199580	TPSA	76.6
11661	Defined_Atom_Stereo_Count	0
60195813	Isotope_Atom_Count	0
2707	Isotope_Atom_Count	0
59	Isotope_Atom_Count	0
13009	Defined_Bond_Stereo_Count	0
5311130	Non-hydrogen_Atom_Count	31
69948495	Defined_Atom_Stereo_Count	0
3780	Non-hydrogen_Atom_Count	16
158550	Defined_Atom_Stereo_Count	4
6633	Molecular_Weight	253.36
13374861	Hydrogen_Bond_Donor_Count	1
10898660	Exact_Mass	101.084063974
143552208	Molecular_Weight	124.16
4838	Molecular_Weight	165.21
44120020	Defined_Bond_Stereo_Count	0
50891	Hydrogen_Bond_Acceptor_Count	0
12519677	Hydrogen_Bond_Donor_Count	2
53322797	Structure_Complexity	650
6973664	Total_Formal_Charge	0
518900	Hydrogen_Bond_Acceptor_Count	3
35267	Isotope_Atom_Count	0
5284461	Covalent_Unit_Count	1
44516953	TPSA	128
13347991	Non-hydrogen_Atom_Count	8
129747104	XLogP3-AA	0.2
82763	XLogP3-AA	2.8
88554936	Exact_Mass	112.088815002
24873435	Isotope_Atom_Count	0
560878	TPSA	40.5
151257062	Total_Formal_Charge	0
85782230	TPSA	26.3
8791	TPSA	26.3
129791	Isotope_Atom_Count	0
82055	Undefined_Bond_Stereo_Count	0
91754484	Non-hydrogen_Atom_Count	26
70627	Structure_Complexity	236
2132	Mono_Isotopic_Weight	375.97859
2763214	Defined_Atom_Stereo_Count	0
1047	Rotatable_Bond_Count	1
30771	Covalent_Unit_Count	1
3613359	Structure_Complexity	22.8
6814	Structure_Complexity	318
1130	Mono_Isotopic_Weight	265.11230735
132471895	Molecular_Weight	210.21
13190	Exact_Mass	154.172150702
54710212	Total_Formal_Charge	0
658645	Defined_Atom_Stereo_Count	0
10218	Exact_Mass	466.28315770
129010024	Hydrogen_Bond_Acceptor_Count	19
124604767	Hydrogen_Bond_Acceptor_Count	16
84658	TPSA	28.7
2375	Isotope_Atom_Count	0
156587369	Defined_Atom_Stereo_Count	31
444795	Covalent_Unit_Count	1
9862	Mono_Isotopic_Weight	126.104465066
23713799	Tautomer_Count	1
12599600	Defined_Atom_Stereo_Count	0
5326965	Exact_Mass	169.99802494
15982149	XLogP3-AA	0.2
13986	Tautomer_Count	1
13319222	Non-hydrogen_Atom_Count	7
7804	Undefined_Atom_Stereo_Count	0
8422	Isotope_Atom_Count	0
73759759	Molecular_Weight	909.1
21700	TPSA	107
19957820	XLogP3-AA	0.8
6918483	Defined_Atom_Stereo_Count	7
644102	Structure_Complexity	124
41438	Hydrogen_Bond_Acceptor_Count	8
9366	Tautomer_Count	1
7848	Hydrogen_Bond_Acceptor_Count	1
441374	Exact_Mass	582.20543769
41376	Undefined_Bond_Stereo_Count	0
5289143	Undefined_Bond_Stereo_Count	0
609492	TPSA	12.9
67314475	Undefined_Atom_Stereo_Count	0
12812295	Exact_Mass	111.068413911
6451481	Mono_Isotopic_Weight	105.057849228
3224	Mono_Isotopic_Weight	403.816881
83528703	Hydrogen_Bond_Donor_Count	2
221071	Isotope_Atom_Count	0
123585399	Structure_Complexity	117
5043	Molecular_Weight	570.4
280	Defined_Atom_Stereo_Count	0
445071	Undefined_Bond_Stereo_Count	0
140313277	Rotatable_Bond_Count	2
3241	Molecular_Weight	249.31
62709	Tautomer_Count	1
52949464	Defined_Atom_Stereo_Count	1
1476679	Molecular_Weight	333.4
16183	Non-hydrogen_Atom_Count	11
92751	Structure_Complexity	490
18442762	Hydrogen_Bond_Acceptor_Count	2
23000221	Covalent_Unit_Count	1
65784	Defined_Bond_Stereo_Count	0
13529145	Hydrogen_Bond_Acceptor_Count	1
91468	Hydrogen_Bond_Donor_Count	0
13999819	TPSA	17.1
57820	TPSA	66
11594	Undefined_Bond_Stereo_Count	0
165646906	Molecular_Weight	108.18
5359563	Structure_Complexity	282
66827	Molecular_Weight	121.93
45784923	Exact_Mass	605.20500239
140920	Covalent_Unit_Count	1
54580051	Molecular_Weight	439.6
270624	Undefined_Bond_Stereo_Count	0
73415809	Exact_Mass	380.13818736
58116879	Undefined_Atom_Stereo_Count	1
10464328	Structure_Complexity	137
5289418	Covalent_Unit_Count	1
13570516	Defined_Atom_Stereo_Count	0
46228852	Total_Formal_Charge	0
69507	Undefined_Atom_Stereo_Count	0
21635253	Hydrogen_Bond_Donor_Count	3
75633	TPSA	29.5
5284441	Undefined_Atom_Stereo_Count	1
32122	Rotatable_Bond_Count	8
60155182	Structure_Complexity	676
141019	Exact_Mass	98.036779430
77058	Non-hydrogen_Atom_Count	7
54583840	Total_Formal_Charge	0
45139106	Hydrogen_Bond_Acceptor_Count	8
22714300	Hydrogen_Bond_Acceptor_Count	1
4090	Rotatable_Bond_Count	5
41092	TPSA	17.1
18487	Hydrogen_Bond_Acceptor_Count	1
10230	Structure_Complexity	167
4931	Defined_Bond_Stereo_Count	0
129009989	Defined_Atom_Stereo_Count	9
89534431	Undefined_Bond_Stereo_Count	0
69140538	Defined_Atom_Stereo_Count	0
12579106	TPSA	20.2
437289	Structure_Complexity	604
643732	Rotatable_Bond_Count	3
693959	Rotatable_Bond_Count	3
58195	Hydrogen_Bond_Acceptor_Count	2
316473	Hydrogen_Bond_Donor_Count	1
44525553	Molecular_Weight	370.4
5362712	Total_Formal_Charge	0
42095	Isotope_Atom_Count	0
11966141	Structure_Complexity	1450
86691500	Exact_Mass	164.076974926
36688117	Undefined_Bond_Stereo_Count	0
11988286	Covalent_Unit_Count	1
96135	Tautomer_Count	12
101998518	Hydrogen_Bond_Donor_Count	1
57223656	Defined_Bond_Stereo_Count	0
533933	Total_Formal_Charge	0
156460742	Mono_Isotopic_Weight	117.078978594
65562	TPSA	259
75453	XLogP3-AA	3.8
12867358	Covalent_Unit_Count	1
3611397	Defined_Bond_Stereo_Count	0
5353831	Hydrogen_Bond_Donor_Count	2
21482439	Structure_Complexity	70.8
145994868	TPSA	1390
577543	Hydrogen_Bond_Donor_Count	1
6450232	Structure_Complexity	332
4955	Undefined_Bond_Stereo_Count	2
156497240	Covalent_Unit_Count	1
13415147	Undefined_Atom_Stereo_Count	0
60857	Molecular_Weight	287.36
164551	Exact_Mass	288.05936535
23663409	Undefined_Bond_Stereo_Count	0
66057	Defined_Atom_Stereo_Count	0
82534	Tautomer_Count	1
5361917	Covalent_Unit_Count	2
23665763	Isotope_Atom_Count	0
5362125	Mono_Isotopic_Weight	509.98517151
18503	Structure_Complexity	309
3794	Hydrogen_Bond_Acceptor_Count	6
17292	TPSA	75.3
33606	Covalent_Unit_Count	1
13332726	Exact_Mass	98.048012819
13795	Undefined_Bond_Stereo_Count	0
135413546	Defined_Bond_Stereo_Count	1
545831	Covalent_Unit_Count	1
9961	Hydrogen_Bond_Donor_Count	0
114743	Undefined_Atom_Stereo_Count	0
72854	Defined_Bond_Stereo_Count	0
17840535	Exact_Mass	85.089149355
75646	TPSA	26
45157475	Mono_Isotopic_Weight	585.24777486
448051	Undefined_Bond_Stereo_Count	0
19587	Defined_Atom_Stereo_Count	0
91468	Tautomer_Count	2
88564905	Hydrogen_Bond_Donor_Count	2
12699282	TPSA	9.2
19688498	Defined_Bond_Stereo_Count	0
96458	XLogP3-AA	6
60044692	Covalent_Unit_Count	1
160435	Undefined_Bond_Stereo_Count	0
24868267	Defined_Atom_Stereo_Count	0
5282455	Rotatable_Bond_Count	18
44571147	TPSA	74.5
11803	Total_Formal_Charge	0
22833341	Total_Formal_Charge	0
444144	Hydrogen_Bond_Acceptor_Count	7
13551	Rotatable_Bond_Count	2
25975	Covalent_Unit_Count	1
16248	Defined_Atom_Stereo_Count	0
74183	Total_Formal_Charge	0
7073	Covalent_Unit_Count	1
8103	Structure_Complexity	27.4
82658	Undefined_Atom_Stereo_Count	1
439691	Exact_Mass	103.063328530
969516	TPSA	93.1
2529	Hydrogen_Bond_Donor_Count	6
11358077	Tautomer_Count	1
12428017	Rotatable_Bond_Count	1
156186164	Mono_Isotopic_Weight	113.084063974
8658	TPSA	26.3
56928166	Undefined_Bond_Stereo_Count	0
92155	Non-hydrogen_Atom_Count	30
79004	Structure_Complexity	23.6
16052011	Hydrogen_Bond_Acceptor_Count	18
76469	Structure_Complexity	250
70682214	Total_Formal_Charge	0
6436924	Molecular_Weight	360.75
135476770	Defined_Bond_Stereo_Count	0
57744	Rotatable_Bond_Count	12
643209	Rotatable_Bond_Count	2
62380	Molecular_Weight	342.5
33294	Undefined_Atom_Stereo_Count	0
85542272	Rotatable_Bond_Count	2
8738	Mono_Isotopic_Weight	146.094294304
4692	Exact_Mass	248.14124450
12352598	Covalent_Unit_Count	1
205708	Hydrogen_Bond_Donor_Count	2
206347	Hydrogen_Bond_Donor_Count	14
61900360	Structure_Complexity	134
10154033	Hydrogen_Bond_Acceptor_Count	4
53786721	Rotatable_Bond_Count	0
6473883	Exact_Mass	834.54530517
71449585	Defined_Atom_Stereo_Count	0
12659781	Exact_Mass	84.057514874
18726560	Covalent_Unit_Count	1
28697	TPSA	45.8
208898	TPSA	97.2
16682828	TPSA	26.3
91003779	Hydrogen_Bond_Acceptor_Count	1
84292	Defined_Atom_Stereo_Count	0
71188	Isotope_Atom_Count	0
86811257	Structure_Complexity	110
14178853	Non-hydrogen_Atom_Count	30
130150414	Molecular_Weight	118.09
45116609	Molecular_Weight	101.15
71094775	Hydrogen_Bond_Donor_Count	8
58460047	Undefined_Bond_Stereo_Count	0
10290754	Defined_Bond_Stereo_Count	0
137240373	Structure_Complexity	2470
4896	Defined_Atom_Stereo_Count	0
5284347	Exact_Mass	205.0658271
165363121	Mono_Isotopic_Weight	273.0781231
5271565	Mono_Isotopic_Weight	144.04225873
1551553	TPSA	74.6
6642	Structure_Complexity	235
24410	Non-hydrogen_Atom_Count	5
71515466	Rotatable_Bond_Count	36
10909515	Molecular_Weight	107.11
59841	Total_Formal_Charge	0
6998296	Exact_Mass	146.08171824
3037206	Undefined_Bond_Stereo_Count	0
13415147	Defined_Atom_Stereo_Count	0
1899	Isotope_Atom_Count	0
6420039	Tautomer_Count	1
69828	Exact_Mass	57.057849228
56935	Hydrogen_Bond_Acceptor_Count	4
53948566	Rotatable_Bond_Count	7
131676399	Exact_Mass	378.13146766
10042942	Exact_Mass	341.16270821
47319	XLogP3-AA	7.9
361733	Total_Formal_Charge	0
158348	Hydrogen_Bond_Donor_Count	1
15528723	Total_Formal_Charge	0
77341	Total_Formal_Charge	0
637563	Defined_Bond_Stereo_Count	1
53396299	Defined_Bond_Stereo_Count	0
53384597	Hydrogen_Bond_Acceptor_Count	4
72502326	Covalent_Unit_Count	1
119095542	Hydrogen_Bond_Donor_Count	2
21894213	Defined_Bond_Stereo_Count	0
543880	TPSA	9.2
972	Undefined_Bond_Stereo_Count	0
6877	Exact_Mass	165.078978594
27436	Covalent_Unit_Count	1
9804302	Hydrogen_Bond_Acceptor_Count	9
16363	Hydrogen_Bond_Acceptor_Count	4
167495	Isotope_Atom_Count	0
8881	Undefined_Atom_Stereo_Count	0
11416654	Defined_Atom_Stereo_Count	1
57394609	Non-hydrogen_Atom_Count	30
85922476	Molecular_Weight	110.15
122232532	Rotatable_Bond_Count	26
198576	Molecular_Weight	313.5
114751	Undefined_Atom_Stereo_Count	2
14759390	Isotope_Atom_Count	0
529275	XLogP3-AA	3.1
5388925	Defined_Bond_Stereo_Count	4
71485	Undefined_Bond_Stereo_Count	0
92934	Undefined_Atom_Stereo_Count	0
21972128	Hydrogen_Bond_Donor_Count	1
7358	TPSA	20.2
664136	Rotatable_Bond_Count	4
40807	TPSA	177
6917663	Rotatable_Bond_Count	3
65646	Structure_Complexity	868
3743617	Undefined_Bond_Stereo_Count	0
24870668	XLogP3-AA	2.1
594	Covalent_Unit_Count	1
24848322	Hydrogen_Bond_Acceptor_Count	1
355	Molecular_Weight	166.13
5388983	Rotatable_Bond_Count	10
4674	Structure_Complexity	243
3004	Rotatable_Bond_Count	6
13203	Covalent_Unit_Count	1
13275541	Hydrogen_Bond_Donor_Count	1
9811353	Defined_Atom_Stereo_Count	10
8194	Defined_Bond_Stereo_Count	0
14230	Molecular_Weight	115.17
43598	Mono_Isotopic_Weight	226.10275099
42301	Undefined_Bond_Stereo_Count	0
51040	XLogP3-AA	4.8
3162	Mono_Isotopic_Weight	270.173213330
81669	Undefined_Atom_Stereo_Count	0
96029	Isotope_Atom_Count	0
135532928	Non-hydrogen_Atom_Count	10
23661014	Molecular_Weight	434.9
65667	XLogP3-AA	3.1
20055121	Exact_Mass	319.10156451
478809	Covalent_Unit_Count	1
1117	Undefined_Atom_Stereo_Count	0
107952	Structure_Complexity	286
9920369	Isotope_Atom_Count	0
1123	Tautomer_Count	1
19283	Undefined_Bond_Stereo_Count	0
440277	Rotatable_Bond_Count	8
83224	Covalent_Unit_Count	1
16237	Non-hydrogen_Atom_Count	13
82337	TPSA	18.5
91847008	Covalent_Unit_Count	1
2609	Total_Formal_Charge	0
19828862	Undefined_Atom_Stereo_Count	0
53466061	Defined_Bond_Stereo_Count	0
5951	Molecular_Weight	105.09
70151	Rotatable_Bond_Count	2
6435335	Hydrogen_Bond_Donor_Count	5
37109	Isotope_Atom_Count	0
439750	Total_Formal_Charge	0
44521023	Total_Formal_Charge	0
15626755	Isotope_Atom_Count	0
22219016	Non-hydrogen_Atom_Count	35
54688689	Undefined_Atom_Stereo_Count	1
73895	Hydrogen_Bond_Acceptor_Count	3
447076	Exact_Mass	395.19573968
443154	Structure_Complexity	1190
136642	Defined_Atom_Stereo_Count	0
164668700	Exact_Mass	110.036779430
16606	XLogP3-AA	2
134688930	Non-hydrogen_Atom_Count	23
24848419	TPSA	93.5
86592	Defined_Bond_Stereo_Count	0
129491	Covalent_Unit_Count	1
1714204	Isotope_Atom_Count	0
65043	Undefined_Atom_Stereo_Count	0
92299	Mono_Isotopic_Weight	233.177964357
950	Defined_Bond_Stereo_Count	0
85786508	Molecular_Weight	112.17
137941	Non-hydrogen_Atom_Count	8
925253	Hydrogen_Bond_Donor_Count	1
14710	Exact_Mass	393.08406
31132	Undefined_Bond_Stereo_Count	0
3383476	Hydrogen_Bond_Acceptor_Count	12
57484	Molecular_Weight	415.5
12578534	TPSA	33
22833307	Hydrogen_Bond_Donor_Count	0
101835694	Mono_Isotopic_Weight	94.078250319
71734	Covalent_Unit_Count	1
59966641	Mono_Isotopic_Weight	416.32904526
9109	Hydrogen_Bond_Donor_Count	0
4369413	Mono_Isotopic_Weight	370.08480950
53956489	Hydrogen_Bond_Donor_Count	1
5281075	XLogP3	2.9
71517697	Molecular_Weight	457.5
119101	Undefined_Atom_Stereo_Count	0
13218140	Defined_Atom_Stereo_Count	0
53689772	Defined_Atom_Stereo_Count	0
68303	Exact_Mass	231.92906
20769610	Non-hydrogen_Atom_Count	8
10170	Structure_Complexity	963
17754007	Defined_Bond_Stereo_Count	0
9949848	Exact_Mass	340.240230259
12600	Non-hydrogen_Atom_Count	14
58969552	Rotatable_Bond_Count	1
85382	Rotatable_Bond_Count	4
3255344	Mono_Isotopic_Weight	354.255880323
71321	Mono_Isotopic_Weight	309.0767857
539036	Defined_Bond_Stereo_Count	0
25151504	Defined_Atom_Stereo_Count	3
20393	Tautomer_Count	1
14453684	Exact_Mass	100.088815002
61044	Tautomer_Count	1
19919	Mono_Isotopic_Weight	102.068079557
11430856	Mono_Isotopic_Weight	450.26646226
10066275	XLogP3-AA	3.2
13445118	Undefined_Bond_Stereo_Count	0
23723027	Undefined_Bond_Stereo_Count	0
10709065	Defined_Bond_Stereo_Count	2
44577705	Non-hydrogen_Atom_Count	38
9799942	Undefined_Atom_Stereo_Count	1
73537	Covalent_Unit_Count	1
79043	Undefined_Bond_Stereo_Count	0
56672413	Covalent_Unit_Count	1
12529661	Undefined_Atom_Stereo_Count	0
3845	Undefined_Bond_Stereo_Count	0
61896	Undefined_Atom_Stereo_Count	0
12682	Isotope_Atom_Count	0
10319630	Structure_Complexity	473
22564561	Structure_Complexity	113
46936680	Isotope_Atom_Count	0
5365247	Undefined_Atom_Stereo_Count	0
12346974	Molecular_Weight	110.15
46936572	XLogP3-AA	2
11973	Undefined_Bond_Stereo_Count	0
21158562	TPSA	87
62357	Exact_Mass	442.22564282
75819	Total_Formal_Charge	0
66377	Mono_Isotopic_Weight	256.10592162
76007601	Total_Formal_Charge	0
247469	TPSA	40.5
53731118	Covalent_Unit_Count	1
17700	Structure_Complexity	435
89149682	Non-hydrogen_Atom_Count	7
58460742	Defined_Bond_Stereo_Count	0
60209141	Tautomer_Count	36
65445	Undefined_Bond_Stereo_Count	0
12235162	Undefined_Atom_Stereo_Count	0
53661221	Molecular_Weight	99.17
10419146	Hydrogen_Bond_Acceptor_Count	1
167195	Structure_Complexity	0
132471895	Covalent_Unit_Count	1
89456730	Hydrogen_Bond_Donor_Count	1
642	Hydrogen_Bond_Donor_Count	9
54584797	Exact_Mass	300.16379146
59503407	Hydrogen_Bond_Donor_Count	5
5284554	Isotope_Atom_Count	0
92386	Covalent_Unit_Count	1
64371	XLogP3-AA	3.5
3016570	Isotope_Atom_Count	0
123788466	Exact_Mass	95.048347172
24739911	Defined_Atom_Stereo_Count	0
124009347	Isotope_Atom_Count	0
62325	Covalent_Unit_Count	1
39494	Exact_Mass	345.1607901
123322483	TPSA	47.6
153400963	Structure_Complexity	92.4
15670683	Molecular_Weight	87.12
4479	Exact_Mass	748.17446246
71317094	Mono_Isotopic_Weight	193.12745433
67271	Undefined_Atom_Stereo_Count	0
4394	Exact_Mass	456.27365564
92151	Defined_Atom_Stereo_Count	0
23180086	Hydrogen_Bond_Acceptor_Count	3
15703	Covalent_Unit_Count	1
44424639	Undefined_Atom_Stereo_Count	0
36190	Covalent_Unit_Count	1
101675604	Mono_Isotopic_Weight	663.36079323
11256720	Rotatable_Bond_Count	3
492405	Tautomer_Count	7
643189	Undefined_Bond_Stereo_Count	0
54584098	TPSA	46.5
44452442	TPSA	87.7
18314506	Molecular_Weight	97.07
464036	Undefined_Atom_Stereo_Count	0
135398701	Defined_Bond_Stereo_Count	0
23676152	Isotope_Atom_Count	0
637927	Mono_Isotopic_Weight	88.052429494
16215374	Exact_Mass	154.1165099
17996772	Covalent_Unit_Count	1
9578	TPSA	0
11789141	Total_Formal_Charge	0
24181320	Molecular_Weight	343.27
89859387	Non-hydrogen_Atom_Count	8
6441068	Hydrogen_Bond_Donor_Count	0
44562738	Undefined_Atom_Stereo_Count	0
14670	Hydrogen_Bond_Acceptor_Count	4
154734173	Molecular_Weight	113.07
9136	Tautomer_Count	1
68850055	XLogP3-AA	1.9
44183616	Undefined_Bond_Stereo_Count	0
10429254	Molecular_Weight	370.5
83287	XLogP3-AA	3.6
23219736	Rotatable_Bond_Count	2
123535886	Rotatable_Bond_Count	0
57384040	TPSA	98.4
984454	Structure_Complexity	738
5353422	Covalent_Unit_Count	1
83064	TPSA	114
53183	XLogP3	3.2
73921	Undefined_Atom_Stereo_Count	0
67979	Defined_Atom_Stereo_Count	0
12754038	Non-hydrogen_Atom_Count	8
23687810	Tautomer_Count	1
7026	Undefined_Atom_Stereo_Count	0
9325	Undefined_Atom_Stereo_Count	3
14265	XLogP3-AA	1
68416156	Isotope_Atom_Count	0
10034577	TPSA	32.3
637939	Hydrogen_Bond_Acceptor_Count	1
6642	Molecular_Weight	214.28
87886	Undefined_Atom_Stereo_Count	1
24107	Isotope_Atom_Count	0
21998472	Non-hydrogen_Atom_Count	15
24986999	Non-hydrogen_Atom_Count	68
53151	TPSA	62.1
66837179	Exact_Mass	118.062994177
6433396	Molecular_Weight	251.15
9841	Molecular_Weight	120.12
446871	Exact_Mass	466.01407238
57458936	Defined_Bond_Stereo_Count	0
54007	Defined_Bond_Stereo_Count	0
82148	Molecular_Weight	243.30
65974	Undefined_Bond_Stereo_Count	0
54688697	Undefined_Bond_Stereo_Count	0
636908	Hydrogen_Bond_Acceptor_Count	9
67437	Non-hydrogen_Atom_Count	11
7364	XLogP3	1
69896	Structure_Complexity	191
56283	Molecular_Weight	269.21
240	Tautomer_Count	2
60150185	Undefined_Bond_Stereo_Count	0
123835510	Isotope_Atom_Count	0
9949648	Exact_Mass	336.183778013
9942127	Rotatable_Bond_Count	0
49342	XLogP3-AA	1.2
24825271	Rotatable_Bond_Count	5
25271829	Undefined_Bond_Stereo_Count	0
2253	Hydrogen_Bond_Donor_Count	3
162290	Exact_Mass	692.5025642
21133161	Structure_Complexity	261
5281878	Non-hydrogen_Atom_Count	30
638079	Exact_Mass	110.109550447
2724163	Defined_Atom_Stereo_Count	0
13879722	Total_Formal_Charge	0
175512	Rotatable_Bond_Count	8
71357440	Defined_Atom_Stereo_Count	0
11203271	Covalent_Unit_Count	1
70276605	Hydrogen_Bond_Acceptor_Count	6
53441735	Undefined_Bond_Stereo_Count	0
54587760	Hydrogen_Bond_Donor_Count	1
290807	Hydrogen_Bond_Acceptor_Count	1
70680969	Covalent_Unit_Count	1
146681133	Undefined_Atom_Stereo_Count	0
9805430	Defined_Atom_Stereo_Count	4
70520512	Non-hydrogen_Atom_Count	8
100957861	Structure_Complexity	102
117881739	Total_Formal_Charge	0
14256301	XLogP3-AA	0.9
91881846	Structure_Complexity	337
16854	Tautomer_Count	3
4871804	Undefined_Bond_Stereo_Count	0
5838	Rotatable_Bond_Count	2
77495	Structure_Complexity	96.3
2466	Total_Formal_Charge	0
1173	TPSA	66.8
124463365	Undefined_Atom_Stereo_Count	0
54587656	Covalent_Unit_Count	1
5284527	Defined_Atom_Stereo_Count	3
49937	Defined_Bond_Stereo_Count	0
6916257	Defined_Atom_Stereo_Count	3
92822	Isotope_Atom_Count	0
11101	Undefined_Bond_Stereo_Count	0
10176126	Covalent_Unit_Count	1
134693124	Isotope_Atom_Count	0
398652	Isotope_Atom_Count	0
6546	Defined_Bond_Stereo_Count	0
134	XLogP3-AA	0.1
121494073	Rotatable_Bond_Count	31
15909	Isotope_Atom_Count	0
69161653	Mono_Isotopic_Weight	111.068413911
6433620	Mono_Isotopic_Weight	388.215078140
10254	Total_Formal_Charge	0
14262	Rotatable_Bond_Count	0
12376	Defined_Bond_Stereo_Count	0
2267	Mono_Isotopic_Weight	381.1607901
12245594	Total_Formal_Charge	0
7567598	Undefined_Bond_Stereo_Count	0
448258	TPSA	67.9
646135	Undefined_Bond_Stereo_Count	0
4560	TPSA	20.2
10299410	TPSA	70.2
87019	Molecular_Weight	198.26
3000668	Molecular_Weight	305.4
5460797	Covalent_Unit_Count	1
14758064	Defined_Bond_Stereo_Count	0
72153	XLogP3-AA	1.4
19779961	Defined_Bond_Stereo_Count	0
73921	Defined_Atom_Stereo_Count	0
58195	Undefined_Bond_Stereo_Count	0
49217	Hydrogen_Bond_Acceptor_Count	4
166957	Total_Formal_Charge	0
12862572	Rotatable_Bond_Count	6
69341468	Undefined_Bond_Stereo_Count	0
54307258	Non-hydrogen_Atom_Count	7
19130	Rotatable_Bond_Count	5
545831	Undefined_Atom_Stereo_Count	1
97535	Tautomer_Count	4
42609610	Non-hydrogen_Atom_Count	13
15522	Undefined_Atom_Stereo_Count	2
89158693	Mono_Isotopic_Weight	110.073164938
94740	XLogP3-AA	2.2
7659	Defined_Bond_Stereo_Count	0
81058	Hydrogen_Bond_Donor_Count	1
2752648	Hydrogen_Bond_Acceptor_Count	1
16441	Covalent_Unit_Count	1
9831581	Defined_Bond_Stereo_Count	0
87112	Rotatable_Bond_Count	1
70851	Defined_Atom_Stereo_Count	0
82652	Defined_Atom_Stereo_Count	0
5723	Undefined_Atom_Stereo_Count	0
84647652	TPSA	58.9
13028028	Hydrogen_Bond_Acceptor_Count	2
11433190	Structure_Complexity	919
439183	Defined_Bond_Stereo_Count	0
6710664	Rotatable_Bond_Count	5
688297	Molecular_Weight	217.02
11477652	Undefined_Atom_Stereo_Count	0
44554	Structure_Complexity	945
444797	Total_Formal_Charge	0
16760287	Defined_Bond_Stereo_Count	0
548185	TPSA	55
36663	Isotope_Atom_Count	0
134694876	Defined_Bond_Stereo_Count	0
5354133	Mono_Isotopic_Weight	312.26644501
444837	Non-hydrogen_Atom_Count	63
56963011	Total_Formal_Charge	0
159466	Hydrogen_Bond_Acceptor_Count	7
52865	Defined_Atom_Stereo_Count	0
17754111	Structure_Complexity	225
95173	Defined_Bond_Stereo_Count	0
135011791	Undefined_Bond_Stereo_Count	0
1331	Defined_Atom_Stereo_Count	0
21465770	Isotope_Atom_Count	0
1205040	Defined_Atom_Stereo_Count	0
222528	Undefined_Atom_Stereo_Count	0
100165	Rotatable_Bond_Count	0
7195	Rotatable_Bond_Count	0
165367979	Rotatable_Bond_Count	12
53885557	Rotatable_Bond_Count	2
15950376	XLogP3-AA	3.8
3881	Defined_Bond_Stereo_Count	0
8756	Undefined_Bond_Stereo_Count	0
5392	Molecular_Weight	466.5
12867435	Hydrogen_Bond_Donor_Count	0
135398561	Tautomer_Count	126
13556	Structure_Complexity	56.6
8854	Tautomer_Count	1
20055342	Hydrogen_Bond_Acceptor_Count	14
123964614	Exact_Mass	94.078250319
1302	Exact_Mass	230.094294304
13138141	Covalent_Unit_Count	2
45358158	Covalent_Unit_Count	1
11405875	Defined_Bond_Stereo_Count	0
12281	Total_Formal_Charge	0
9549284	Rotatable_Bond_Count	3
71463896	Defined_Bond_Stereo_Count	0
443881	Isotope_Atom_Count	0
116225458	Covalent_Unit_Count	1
56677003	Structure_Complexity	742
67828	Covalent_Unit_Count	1
199968	Isotope_Atom_Count	0
68553	Undefined_Bond_Stereo_Count	0
18779032	Hydrogen_Bond_Donor_Count	4
91884755	Defined_Atom_Stereo_Count	5
33944	Hydrogen_Bond_Acceptor_Count	2
3683036	Rotatable_Bond_Count	4
15702063	Rotatable_Bond_Count	0
42790	Covalent_Unit_Count	3
39521	Total_Formal_Charge	0
59283	Defined_Atom_Stereo_Count	0
141959525	Molecular_Weight	97.16
52038	Molecular_Weight	225.31
84647648	Total_Formal_Charge	0
91395	Structure_Complexity	1170
135459971	Defined_Atom_Stereo_Count	0
4454486	XLogP3-AA	2.9
5845	Tautomer_Count	1
40466862	Hydrogen_Bond_Acceptor_Count	6
49855886	XLogP3-AA	2.3
8406	Non-hydrogen_Atom_Count	11
2210	Non-hydrogen_Atom_Count	24
11539725	Covalent_Unit_Count	1
81150	Isotope_Atom_Count	0
9939594	TPSA	231
5484727	Total_Formal_Charge	0
39534	Mono_Isotopic_Weight	198.125594432
3032576	Mono_Isotopic_Weight	324.183778013
443158	Exact_Mass	154.135765193
15	Mono_Isotopic_Weight	290.224580195
72296	Non-hydrogen_Atom_Count	20
46244259	Defined_Bond_Stereo_Count	0
86705695	Total_Formal_Charge	0
5808883	Defined_Atom_Stereo_Count	0
71377454	Defined_Bond_Stereo_Count	0
129815925	TPSA	24.4
3548422	Undefined_Atom_Stereo_Count	0
88045	Total_Formal_Charge	0
131751341	Hydrogen_Bond_Donor_Count	8
7569	Exact_Mass	393.339550376
9898814	XLogP3-AA	0.1
154222492	Mono_Isotopic_Weight	114.042927438
89518758	Total_Formal_Charge	0
13150526	Hydrogen_Bond_Donor_Count	1
1951	Defined_Bond_Stereo_Count	0
3732019	TPSA	29.8
96421	Undefined_Bond_Stereo_Count	1
24755480	Undefined_Atom_Stereo_Count	0
1702	Undefined_Atom_Stereo_Count	0
13795010	XLogP3-AA	1
7778	Undefined_Bond_Stereo_Count	0
10297818	XLogP3-AA	4.3
44148067	Hydrogen_Bond_Donor_Count	3
194774	Undefined_Atom_Stereo_Count	0
138924	TPSA	0
4425	Hydrogen_Bond_Acceptor_Count	5
408793	Undefined_Atom_Stereo_Count	0
6992023	Hydrogen_Bond_Acceptor_Count	5
11137142	Covalent_Unit_Count	2
68023	Rotatable_Bond_Count	1
57234721	Mono_Isotopic_Weight	96.057514874
60196303	Rotatable_Bond_Count	1
15034633	Hydrogen_Bond_Donor_Count	0
65417277	Covalent_Unit_Count	1
558102	Total_Formal_Charge	0
70837	Hydrogen_Bond_Donor_Count	3
636402	Exact_Mass	614.31954243
25167777	Non-hydrogen_Atom_Count	36
58064	Defined_Atom_Stereo_Count	0
8553	Rotatable_Bond_Count	0
57825223	Undefined_Bond_Stereo_Count	0
23283113	TPSA	0
66663	Covalent_Unit_Count	1
21624254	Hydrogen_Bond_Acceptor_Count	2
7656	Covalent_Unit_Count	1
10040	Isotope_Atom_Count	0
30053	Hydrogen_Bond_Donor_Count	1
15561101	Molecular_Weight	172.18
14577084	Total_Formal_Charge	0
659840	Non-hydrogen_Atom_Count	19
257950	Covalent_Unit_Count	1
26923	Rotatable_Bond_Count	3
2826731	Defined_Atom_Stereo_Count	0
129674754	Mono_Isotopic_Weight	219.05315777
12082259	Undefined_Bond_Stereo_Count	0
135887832	Hydrogen_Bond_Acceptor_Count	14
14343599	Isotope_Atom_Count	0
37250	Hydrogen_Bond_Donor_Count	0
374	Defined_Atom_Stereo_Count	0
102515495	Hydrogen_Bond_Acceptor_Count	6
88941292	Exact_Mass	112.063662883
54746485	Hydrogen_Bond_Donor_Count	7
141508	Undefined_Bond_Stereo_Count	0
73415804	Defined_Bond_Stereo_Count	0
123451	Covalent_Unit_Count	1
120269	Structure_Complexity	50.9
134572252	Structure_Complexity	98.6
76796454	Isotope_Atom_Count	0
136874	TPSA	29.1
44211	Defined_Atom_Stereo_Count	0
22763696	Hydrogen_Bond_Acceptor_Count	2
54032194	Covalent_Unit_Count	1
4573	Non-hydrogen_Atom_Count	14
64948	Exact_Mass	254.11676108
18755331	Total_Formal_Charge	0
66384	Undefined_Bond_Stereo_Count	0
92850	Exact_Mass	404.3209791
5273472	Hydrogen_Bond_Donor_Count	1
21123938	Mono_Isotopic_Weight	410.18417193
2791	Hydrogen_Bond_Acceptor_Count	6
222778	Defined_Bond_Stereo_Count	0
34303	Mono_Isotopic_Weight	234.198365449
79680	Mono_Isotopic_Weight	119.9978071
88559809	XLogP3-AA	1.4
68745	XLogP3-AA	5.1
53394037	Undefined_Bond_Stereo_Count	1
66545742	TPSA	58.7
45488104	Undefined_Atom_Stereo_Count	0
68646	Mono_Isotopic_Weight	229.1233420
118705497	Molecular_Weight	746.9
47104	Total_Formal_Charge	0
44392074	Structure_Complexity	752
7677	Defined_Bond_Stereo_Count	0
2812423	Defined_Atom_Stereo_Count	0
130113566	Hydrogen_Bond_Acceptor_Count	2
141268723	Hydrogen_Bond_Donor_Count	0
56734	Defined_Atom_Stereo_Count	0
139062656	Molecular_Weight	2357.2
72098	Defined_Bond_Stereo_Count	0
71773465	Non-hydrogen_Atom_Count	45
24729360	XLogP3-AA	2.9
157820065	XLogP3-AA	2.5
38855	Rotatable_Bond_Count	19
17753851	XLogP3-AA	3.4
60867	XLogP3-AA	2.3
105426996	Structure_Complexity	134
23510138	Non-hydrogen_Atom_Count	7
53241828	XLogP3-AA	1.7
6426632	Hydrogen_Bond_Acceptor_Count	10
3001055	Defined_Bond_Stereo_Count	1
5009	Hydrogen_Bond_Donor_Count	1
233208	Mono_Isotopic_Weight	85.052763847
5729	Non-hydrogen_Atom_Count	16
182362	Rotatable_Bond_Count	1
71449858	Defined_Bond_Stereo_Count	0
194774	Defined_Atom_Stereo_Count	0
347590	Mono_Isotopic_Weight	180.07211956
863	XLogP3-AA	1
71946	XLogP3-AA	2.5
23663982	Hydrogen_Bond_Donor_Count	1
54684589	Undefined_Bond_Stereo_Count	0
4712993	Exact_Mass	330.05282342
5234	Hydrogen_Bond_Donor_Count	0
7657	Structure_Complexity	137
50901	Rotatable_Bond_Count	10
11840920	Isotope_Atom_Count	0
69965423	Hydrogen_Bond_Donor_Count	1
9960616	Defined_Bond_Stereo_Count	0
9973981	Tautomer_Count	1
9892540	Isotope_Atom_Count	0
20205172	Exact_Mass	118.099379685
37425	Rotatable_Bond_Count	1
57351929	Total_Formal_Charge	0
31823	XLogP3-AA	5.5
492	Undefined_Atom_Stereo_Count	0
91749	Hydrogen_Bond_Donor_Count	1
28830	Covalent_Unit_Count	2
9934678	Hydrogen_Bond_Acceptor_Count	6
159296	Molecular_Weight	427.20
34208	Covalent_Unit_Count	1
3852430	XLogP3-AA	4.2
286157	Total_Formal_Charge	0
108218	Rotatable_Bond_Count	5
852344	Tautomer_Count	7
8067	Tautomer_Count	1
60613	Covalent_Unit_Count	1
11089	Total_Formal_Charge	0
11105327	TPSA	30.7
54020544	Mono_Isotopic_Weight	99.032028402
151170	Rotatable_Bond_Count	5
6992089	Exact_Mass	132.05349212
15509898	Covalent_Unit_Count	1
7319	Non-hydrogen_Atom_Count	13
20470206	Molecular_Weight	108.18
72026	Defined_Atom_Stereo_Count	0
65790	Defined_Atom_Stereo_Count	0
4330531	XLogP3-AA	0.6
16759177	Tautomer_Count	13
71484	Covalent_Unit_Count	3
95455	Total_Formal_Charge	0
47670	Hydrogen_Bond_Donor_Count	1
2309	Hydrogen_Bond_Acceptor_Count	5
5810	Rotatable_Bond_Count	1
58091261	TPSA	20.1
6453	Structure_Complexity	400
25612	Non-hydrogen_Atom_Count	11
162918376	Hydrogen_Bond_Donor_Count	5
135887820	Hydrogen_Bond_Acceptor_Count	15
299801	XLogP3-AA	0.5
21927749	Structure_Complexity	98.6
13992155	Rotatable_Bond_Count	11
33113	Undefined_Atom_Stereo_Count	0
53898601	Hydrogen_Bond_Acceptor_Count	2
5200289	Non-hydrogen_Atom_Count	7
12248556	Rotatable_Bond_Count	4
6440459	Total_Formal_Charge	0
20297542	TPSA	38.9
52941462	Exact_Mass	350.199428076
135499741	Mono_Isotopic_Weight	115.038176411
4570	Defined_Bond_Stereo_Count	0
44586930	Molecular_Weight	275.31
46240	Undefined_Bond_Stereo_Count	0
5238474	Exact_Mass	262.121846464
141758017	Exact_Mass	116.047344113
162268	Defined_Bond_Stereo_Count	0
478951	TPSA	195
21943184	Molecular_Weight	101.06
142538	Undefined_Atom_Stereo_Count	2
9844194	XLogP3-AA	3
91087911	Isotope_Atom_Count	0
16264	Tautomer_Count	1
92838	Molecular_Weight	132.16
134160331	Rotatable_Bond_Count	12
2929	Undefined_Atom_Stereo_Count	0
5289517	Defined_Bond_Stereo_Count	0
200424	Defined_Atom_Stereo_Count	0
312	Mono_Isotopic_Weight	34.9688527
66219	Isotope_Atom_Count	0
100016	Exact_Mass	228.07462149
254021	Mono_Isotopic_Weight	223.063328530
163285106	Covalent_Unit_Count	1
53393583	Undefined_Bond_Stereo_Count	0
107971	Hydrogen_Bond_Donor_Count	5
54215450	Non-hydrogen_Atom_Count	7
6015	Defined_Atom_Stereo_Count	0
9982	Molecular_Weight	163.26
75786	Exact_Mass	224.177630004
801	Molecular_Weight	174.18
12572	Rotatable_Bond_Count	2
96759	Exact_Mass	304.121177757
13373005	Tautomer_Count	1
21497	Undefined_Atom_Stereo_Count	0
66588767	XLogP3-AA	2.5
123385940	Exact_Mass	110.073164938
9848818	TPSA	132
57009	Total_Formal_Charge	0
5299	Defined_Bond_Stereo_Count	0
92395	Defined_Atom_Stereo_Count	0
33728341	Non-hydrogen_Atom_Count	8
116706	Hydrogen_Bond_Acceptor_Count	4
49808	Undefined_Bond_Stereo_Count	0
1807	Defined_Atom_Stereo_Count	0
3349	Total_Formal_Charge	0
53364510	Covalent_Unit_Count	1
198576	Structure_Complexity	443
127394	Structure_Complexity	389
23727689	XLogP3-AA	6
45140016	Hydrogen_Bond_Acceptor_Count	8
68834	TPSA	92.1
31278	Defined_Bond_Stereo_Count	0
439846	Molecular_Weight	76.09
91100506	Exact_Mass	98.011627311
71624343	Total_Formal_Charge	0
1808	Undefined_Bond_Stereo_Count	0
6432095	Exact_Mass	31.981587030
15272297	Molecular_Weight	112.13
5491989	Undefined_Atom_Stereo_Count	0
70258	Rotatable_Bond_Count	0
32123	Hydrogen_Bond_Donor_Count	2
446156	Mono_Isotopic_Weight	459.24210135
5359367	Covalent_Unit_Count	1
5121	Defined_Atom_Stereo_Count	0
11712071	TPSA	74.5
101289807	Defined_Bond_Stereo_Count	0
14273	Exact_Mass	107.037113783
10937610	Isotope_Atom_Count	0
39176	Mono_Isotopic_Weight	114.104465066
12287	Defined_Atom_Stereo_Count	0
99681	Rotatable_Bond_Count	2
6055	Rotatable_Bond_Count	4
13568632	Isotope_Atom_Count	0
7098617	Isotope_Atom_Count	0
46907787	Undefined_Atom_Stereo_Count	0
53359023	Non-hydrogen_Atom_Count	27
135402037	Exact_Mass	268.08076950
23279315	Defined_Atom_Stereo_Count	0
9543528	Exact_Mass	160.09218630
45120378	Total_Formal_Charge	0
123620036	Isotope_Atom_Count	0
11554076	Total_Formal_Charge	0
18938	Total_Formal_Charge	0
25247	Defined_Atom_Stereo_Count	0
141836779	Mono_Isotopic_Weight	112.088815002
11007859	Exact_Mass	114.042927438
86583	Undefined_Bond_Stereo_Count	0
439517	Mono_Isotopic_Weight	267.12190603
544627	Hydrogen_Bond_Acceptor_Count	1
148123	Structure_Complexity	1660
93544	Covalent_Unit_Count	1
23199087	Mono_Isotopic_Weight	92.037448136
12285870	Defined_Atom_Stereo_Count	4
549699	Hydrogen_Bond_Acceptor_Count	1
15980838	Mono_Isotopic_Weight	495.1673320
10246085	Total_Formal_Charge	0
73773	Covalent_Unit_Count	1
3033538	Undefined_Bond_Stereo_Count	0
3729	Defined_Atom_Stereo_Count	0
508194	Structure_Complexity	1090
11954258	Molecular_Weight	667.8
136585	XLogP3-AA	2.4
443391	Exact_Mass	428.14601035
23083539	Molecular_Weight	118.17
13464501	Rotatable_Bond_Count	2
888374	XLogP3-AA	2.3
903687	Hydrogen_Bond_Acceptor_Count	4
32872	Tautomer_Count	6
25132952	Rotatable_Bond_Count	4
78323	Exact_Mass	241.94577
33671	Total_Formal_Charge	0
11701	Structure_Complexity	159
146019527	Exact_Mass	691.061419
20473149	Defined_Atom_Stereo_Count	0
24901351	Structure_Complexity	648
233979	Hydrogen_Bond_Acceptor_Count	2
7222	TPSA	41.1
49865733	Structure_Complexity	449
135491728	Exact_Mass	359.1321926
24203	Tautomer_Count	1
11708045	Molecular_Weight	73.05
95883	Exact_Mass	161.06880783
14239884	Hydrogen_Bond_Acceptor_Count	4
170993	TPSA	26.3
24906273	Hydrogen_Bond_Acceptor_Count	5
5388977	Structure_Complexity	585
12205098	Undefined_Atom_Stereo_Count	0
91895934	Undefined_Atom_Stereo_Count	0
57392963	Hydrogen_Bond_Donor_Count	2
4158	Molecular_Weight	233.31
71360359	Exact_Mass	108.057514874
117059122	Molecular_Weight	288.31
140442165	Exact_Mass	1201.84136802
54900	Non-hydrogen_Atom_Count	35
91465979	Hydrogen_Bond_Acceptor_Count	3
11953947	Exact_Mass	910.5458778
545127	Defined_Atom_Stereo_Count	0
37049	Molecular_Weight	342.5
133967	Tautomer_Count	2
6957672	XLogP3-AA	3.9
68321840	Structure_Complexity	669
5784745	Molecular_Weight	247.3
121755	Non-hydrogen_Atom_Count	7
5310966	Mono_Isotopic_Weight	211.110947427
6935	Covalent_Unit_Count	1
637517	Hydrogen_Bond_Acceptor_Count	2
93221	Non-hydrogen_Atom_Count	51
15731	Undefined_Bond_Stereo_Count	0
122197	Mono_Isotopic_Weight	431.07575
15590756	Mono_Isotopic_Weight	94.016712692
71081	Structure_Complexity	60.5
11524	Structure_Complexity	62.8
77009	Total_Formal_Charge	0
596336	Isotope_Atom_Count	0
14962	Total_Formal_Charge	0
35384	Mono_Isotopic_Weight	331.0975211
192630	Undefined_Bond_Stereo_Count	0
8507	Undefined_Atom_Stereo_Count	0
198382	Total_Formal_Charge	0
163727	Undefined_Atom_Stereo_Count	0
3037565	Non-hydrogen_Atom_Count	23
134735	XLogP3	2.1
141379122	Exact_Mass	111.043261792
458186	TPSA	57.5
19849296	Covalent_Unit_Count	1
2728270	Undefined_Atom_Stereo_Count	3
66249	Undefined_Bond_Stereo_Count	0
90181814	Covalent_Unit_Count	1
717	Hydrogen_Bond_Acceptor_Count	9
90227	Total_Formal_Charge	0
9639	Undefined_Bond_Stereo_Count	0
74062	Non-hydrogen_Atom_Count	15
139758	Covalent_Unit_Count	1
46174097	Covalent_Unit_Count	1
9789	Undefined_Bond_Stereo_Count	0
6186	Undefined_Bond_Stereo_Count	0
6436924	Isotope_Atom_Count	0
55423	Total_Formal_Charge	0
3062	Mono_Isotopic_Weight	780.42960671
91488	Molecular_Weight	412.4
5017	TPSA	63.6
923638	Hydrogen_Bond_Acceptor_Count	3
47289	Covalent_Unit_Count	1
52987927	Defined_Bond_Stereo_Count	0
23087	Exact_Mass	153.078978594
179822	Undefined_Atom_Stereo_Count	0
19083150	Rotatable_Bond_Count	0
10778228	Total_Formal_Charge	0
184934	Non-hydrogen_Atom_Count	34
505	Undefined_Atom_Stereo_Count	4
3781988	Structure_Complexity	609
19013328	Molecular_Weight	110.11
112932	Isotope_Atom_Count	0
101175466	Total_Formal_Charge	2
1585857	Undefined_Atom_Stereo_Count	0
76957520	Hydrogen_Bond_Donor_Count	3
9813119	Undefined_Bond_Stereo_Count	0
38333	Mono_Isotopic_Weight	177.042593085
1396	Hydrogen_Bond_Acceptor_Count	7
91439	Total_Formal_Charge	0
101606430	Non-hydrogen_Atom_Count	36
163156	Total_Formal_Charge	0
67240072	Undefined_Atom_Stereo_Count	0
639643	Total_Formal_Charge	0
135415868	Structure_Complexity	865
161764	Total_Formal_Charge	0
6918149	Structure_Complexity	543
2811264	Covalent_Unit_Count	1
98231	Covalent_Unit_Count	1
133687604	Mono_Isotopic_Weight	408.1703517
2303651	XLogP3-AA	0.5
20486748	Exact_Mass	85.027611728
12671690	Total_Formal_Charge	0
68469	XLogP3	2.5
67619	Defined_Bond_Stereo_Count	0
611887	Exact_Mass	229.110278721
150762	Structure_Complexity	1090
101707	Undefined_Atom_Stereo_Count	1
2593	Mono_Isotopic_Weight	615.29630113
44338967	XLogP3-AA	2.4
12560816	Rotatable_Bond_Count	0
53762932	Undefined_Bond_Stereo_Count	0
25058166	Hydrogen_Bond_Donor_Count	7
441346	Molecular_Weight	420.5
4845	Covalent_Unit_Count	1
91747	Hydrogen_Bond_Acceptor_Count	7
83201	Exact_Mass	338.1163980
170472	Hydrogen_Bond_Donor_Count	2
5064267	Exact_Mass	405.99294301
5859	Defined_Bond_Stereo_Count	0
8099	Exact_Mass	240.05936535
2656	Non-hydrogen_Atom_Count	36
11321894	Isotope_Atom_Count	0
2021	Non-hydrogen_Atom_Count	23
18387020	Mono_Isotopic_Weight	115.099714038
84647611	Defined_Bond_Stereo_Count	0
14964443	Non-hydrogen_Atom_Count	7
556492	Defined_Bond_Stereo_Count	0
91861230	Molecular_Weight	342.30
22291085	Mono_Isotopic_Weight	522.22670545
129073603	Undefined_Bond_Stereo_Count	0
17151	Structure_Complexity	186
16682935	Structure_Complexity	205
15256279	Structure_Complexity	57.2
78328	Hydrogen_Bond_Acceptor_Count	3
24090	Isotope_Atom_Count	0
633097	Rotatable_Bond_Count	2
135487856	Undefined_Atom_Stereo_Count	2
78032	Hydrogen_Bond_Acceptor_Count	7
10903	Hydrogen_Bond_Acceptor_Count	1
13925935	Undefined_Bond_Stereo_Count	0
119097554	XLogP3-AA	0.7
107349	Defined_Atom_Stereo_Count	0
448653	Defined_Bond_Stereo_Count	2
8640	Undefined_Bond_Stereo_Count	0
95512	Structure_Complexity	268
114849	Isotope_Atom_Count	0
71899	Total_Formal_Charge	0
68736	Non-hydrogen_Atom_Count	14
79242	Mono_Isotopic_Weight	166.074227566
59040622	Structure_Complexity	151
91468768	Structure_Complexity	161
51030898	Defined_Atom_Stereo_Count	1
460516	Non-hydrogen_Atom_Count	17
138372	TPSA	42.5
33134	Hydrogen_Bond_Donor_Count	0
65359	Rotatable_Bond_Count	21
533840	Covalent_Unit_Count	1
5289289	Undefined_Atom_Stereo_Count	0
2228691	Rotatable_Bond_Count	7
53736293	Rotatable_Bond_Count	1
178438	Isotope_Atom_Count	0
12343986	Isotope_Atom_Count	0
518924	Undefined_Bond_Stereo_Count	0
8809	Defined_Bond_Stereo_Count	0
398631	XLogP3-AA	5
165574	Defined_Atom_Stereo_Count	0
64740	Non-hydrogen_Atom_Count	25
121207552	Defined_Bond_Stereo_Count	0
9047	Total_Formal_Charge	0
556303	TPSA	0
444036	Non-hydrogen_Atom_Count	34
18521	Covalent_Unit_Count	1
12310749	Exact_Mass	398.354866087
9883002	Molecular_Weight	306.4
27918	Hydrogen_Bond_Acceptor_Count	3
57820	Tautomer_Count	3
17218	Tautomer_Count	1
908836	Isotope_Atom_Count	0
59771	Defined_Atom_Stereo_Count	0
3037705	Mono_Isotopic_Weight	302.224580195
630689	Defined_Atom_Stereo_Count	0
124600	Structure_Complexity	324
80792	Hydrogen_Bond_Acceptor_Count	2
11537871	Exact_Mass	364.20115941
54260	Hydrogen_Bond_Acceptor_Count	2
47294	TPSA	72.9
23667629	Hydrogen_Bond_Donor_Count	1
12284	Structure_Complexity	125
2737793	Undefined_Bond_Stereo_Count	0
11286	Covalent_Unit_Count	1
17571562	Non-hydrogen_Atom_Count	47
55300028	Structure_Complexity	92.5
44125832	Isotope_Atom_Count	0
3438	XLogP3	0.4
56765705	XLogP3-AA	0.1
53656122	Defined_Atom_Stereo_Count	1
119391	Isotope_Atom_Count	0
13507024	Tautomer_Count	23
66776828	Undefined_Bond_Stereo_Count	0
3866	Defined_Bond_Stereo_Count	0
282752	Total_Formal_Charge	0
30590	Undefined_Atom_Stereo_Count	0
19022508	Rotatable_Bond_Count	5
535532	Covalent_Unit_Count	1
23182368	Molecular_Weight	100.08
5361250	Undefined_Bond_Stereo_Count	0
55414	Structure_Complexity	317
13355	Hydrogen_Bond_Donor_Count	2
994360	TPSA	84.1
123678021	Defined_Atom_Stereo_Count	0
3437714	Non-hydrogen_Atom_Count	12
26058	Exact_Mass	170.203450829
6444834	Isotope_Atom_Count	0
138975	Total_Formal_Charge	0
3890	Hydrogen_Bond_Acceptor_Count	5
3033031	Isotope_Atom_Count	0
6437842	Hydrogen_Bond_Donor_Count	1
3878	Hydrogen_Bond_Acceptor_Count	5
28003	Defined_Bond_Stereo_Count	0
5364495	Hydrogen_Bond_Acceptor_Count	1
6035	Structure_Complexity	386
12011	Defined_Bond_Stereo_Count	0
39230	XLogP3	4.5
22630	Defined_Bond_Stereo_Count	0
197344	Structure_Complexity	388
14366842	Mono_Isotopic_Weight	104.094963011
134826479	Undefined_Atom_Stereo_Count	0
5280343	Hydrogen_Bond_Donor_Count	5
130122663	Structure_Complexity	163
255	Undefined_Bond_Stereo_Count	0
61896	XLogP3-AA	3
7056	Mono_Isotopic_Weight	162.0236279
11581936	Total_Formal_Charge	0
9839519	XLogP3-AA	4.2
59059041	Covalent_Unit_Count	1
5483631	Hydrogen_Bond_Acceptor_Count	2
79717	Defined_Bond_Stereo_Count	0
114506	Rotatable_Bond_Count	2
5281515	Non-hydrogen_Atom_Count	15
549318	Exact_Mass	96.057514874
11840951	Undefined_Atom_Stereo_Count	0
10818	Covalent_Unit_Count	1
519543	TPSA	52.6
96600	Hydrogen_Bond_Acceptor_Count	4
24477	Rotatable_Bond_Count	0
175534	Mono_Isotopic_Weight	319.1702921
42539	Defined_Bond_Stereo_Count	0
82650926	Defined_Atom_Stereo_Count	0
60714	Defined_Atom_Stereo_Count	0
447360	Exact_Mass	436.0430605
4423	Total_Formal_Charge	0
66201	XLogP3-AA	0.6
12947024	Mono_Isotopic_Weight	331.99605
10869981	XLogP3	3.5
62425	Undefined_Atom_Stereo_Count	0
135974	Covalent_Unit_Count	1
79865794	Structure_Complexity	118
46783224	Hydrogen_Bond_Donor_Count	3
1810216	XLogP3-AA	0
72614909	Total_Formal_Charge	0
123839315	Covalent_Unit_Count	1
10964417	XLogP3-AA	1
692159	Molecular_Weight	338.2
415628	Exact_Mass	196.0767261
72732	Exact_Mass	242.094294304
38982	Tautomer_Count	1
16212081	TPSA	59.4
5365543	Tautomer_Count	1
15065	Defined_Atom_Stereo_Count	0
73513	TPSA	95.9
11508600	Mono_Isotopic_Weight	352.12232057
242082	Mono_Isotopic_Weight	98.036779430
71374162	Undefined_Bond_Stereo_Count	1
96380	Defined_Atom_Stereo_Count	0
14741640	Undefined_Bond_Stereo_Count	0
12413939	Undefined_Bond_Stereo_Count	0
575609	Total_Formal_Charge	0
28532	TPSA	95.6
11151622	Mono_Isotopic_Weight	329.12632271
20614524	Isotope_Atom_Count	0
387179	Isotope_Atom_Count	0
11250	Molecular_Weight	84.16
4143	TPSA	104
11969781	Rotatable_Bond_Count	7
7146288	XLogP3-AA	2.7
217049	Exact_Mass	545.20047090
16135076	Molecular_Weight	1459.1
18055	Undefined_Bond_Stereo_Count	0
63055	Undefined_Atom_Stereo_Count	0
139254656	Hydrogen_Bond_Donor_Count	2
9980551	XLogP3-AA	3.8
97725	TPSA	83.6
7174	Molecular_Weight	179.22
8412	Defined_Bond_Stereo_Count	0
15940193	Non-hydrogen_Atom_Count	22
101982233	Structure_Complexity	0
136875	XLogP3-AA	0.7
70500258	Defined_Atom_Stereo_Count	0
5281088	Hydrogen_Bond_Acceptor_Count	2
16224456	Tautomer_Count	1
398637	Isotope_Atom_Count	0
14039779	Non-hydrogen_Atom_Count	7
185588	Rotatable_Bond_Count	3
10007	Undefined_Bond_Stereo_Count	0
22640249	Defined_Bond_Stereo_Count	0
4543	TPSA	12
85891258	Exact_Mass	113.120449483
86510	Rotatable_Bond_Count	0
5324168	Structure_Complexity	63.1
20441	Mono_Isotopic_Weight	147.05315777
53398649	Non-hydrogen_Atom_Count	26
134694073	Non-hydrogen_Atom_Count	30
145679260	Structure_Complexity	125
23662383	Mono_Isotopic_Weight	232.07452447
163436244	Undefined_Bond_Stereo_Count	1
108156	Hydrogen_Bond_Acceptor_Count	7
143847825	Isotope_Atom_Count	0
46936192	Isotope_Atom_Count	0
2583694	Isotope_Atom_Count	0
441407	Molecular_Weight	442.4
13245702	Rotatable_Bond_Count	0
566589	Tautomer_Count	2
8877	Covalent_Unit_Count	3
16726873	Covalent_Unit_Count	2
443151	Undefined_Bond_Stereo_Count	0
39874	Isotope_Atom_Count	0
16076883	TPSA	191
4460493	Hydrogen_Bond_Acceptor_Count	3
36312	Undefined_Bond_Stereo_Count	0
73480	Hydrogen_Bond_Donor_Count	2
441242	Defined_Atom_Stereo_Count	2
23729877	Hydrogen_Bond_Donor_Count	2
44431182	Hydrogen_Bond_Acceptor_Count	10
91763	Mono_Isotopic_Weight	434.0411457
10405997	Covalent_Unit_Count	1
565391	Hydrogen_Bond_Donor_Count	0
161259	Rotatable_Bond_Count	3
6347	Hydrogen_Bond_Acceptor_Count	2
75412563	Non-hydrogen_Atom_Count	11
637563	TPSA	9.2
90788020	Defined_Atom_Stereo_Count	0
152943	Undefined_Bond_Stereo_Count	0
90774590	Defined_Atom_Stereo_Count	0
23581869	Defined_Atom_Stereo_Count	0
13404	Covalent_Unit_Count	1
139105	Hydrogen_Bond_Donor_Count	0
53869158	Defined_Bond_Stereo_Count	0
419490	Isotope_Atom_Count	0
16061135	Covalent_Unit_Count	1
73160420	Molecular_Weight	1349.5
131634493	Rotatable_Bond_Count	48
20348168	XLogP3-AA	0.2
5311054	Mono_Isotopic_Weight	1154.74992724
2802	Defined_Atom_Stereo_Count	0
27503	Rotatable_Bond_Count	6
46853632	Isotope_Atom_Count	0
58051	Covalent_Unit_Count	1
91820403	Isotope_Atom_Count	0
56972736	Structure_Complexity	105
190217	Non-hydrogen_Atom_Count	1
52949803	Mono_Isotopic_Weight	388.11693871
2795218	Molecular_Weight	113.11
66803	Non-hydrogen_Atom_Count	19
37632	Total_Formal_Charge	0
13530219	Defined_Bond_Stereo_Count	0
238053	TPSA	75.2
11586735	Rotatable_Bond_Count	3
64402	Undefined_Atom_Stereo_Count	5
80037	Undefined_Bond_Stereo_Count	0
71758314	TPSA	37.3
138757296	Exact_Mass	105.032697108
50896	Total_Formal_Charge	0
14753032	Hydrogen_Bond_Acceptor_Count	6
135413544	Undefined_Atom_Stereo_Count	0
14740383	Structure_Complexity	78.2
24268	Hydrogen_Bond_Acceptor_Count	3
11054313	Hydrogen_Bond_Donor_Count	0
1550489	Non-hydrogen_Atom_Count	7
107670	Undefined_Atom_Stereo_Count	0
2317	Isotope_Atom_Count	0
14988402	Undefined_Atom_Stereo_Count	0
7245	Exact_Mass	128.0028925
91664033	Defined_Atom_Stereo_Count	28
61032	Undefined_Atom_Stereo_Count	0
2342	Non-hydrogen_Atom_Count	29
10606713	Mono_Isotopic_Weight	113.047678466
640308	XLogP3-AA	0.2
4004	Defined_Atom_Stereo_Count	0
23235	Tautomer_Count	1
167980	Hydrogen_Bond_Donor_Count	2
13351229	Mono_Isotopic_Weight	100.063662883
71464628	Covalent_Unit_Count	1
60769	TPSA	67.9
44563177	Undefined_Bond_Stereo_Count	0
91820403	Defined_Bond_Stereo_Count	0
10401972	Undefined_Atom_Stereo_Count	0
135422052	Molecular_Weight	488.5
40146	Exact_Mass	240.126263138
54242173	Defined_Atom_Stereo_Count	0
73759969	Non-hydrogen_Atom_Count	67
74210	XLogP3	3.7
2723721	Undefined_Bond_Stereo_Count	0
57441855	Total_Formal_Charge	0
73851	Non-hydrogen_Atom_Count	16
12942137	Covalent_Unit_Count	1
21844441	Isotope_Atom_Count	0
9794806	Hydrogen_Bond_Acceptor_Count	2
62907	Hydrogen_Bond_Donor_Count	1
5283393	Hydrogen_Bond_Acceptor_Count	1
9604654	Total_Formal_Charge	0
135975	Exact_Mass	316.125200510
10866290	Molecular_Weight	111.18
18696579	Isotope_Atom_Count	0
126968545	TPSA	37.3
11194317	Rotatable_Bond_Count	3
149514	Total_Formal_Charge	0
25201603	Undefined_Bond_Stereo_Count	0
136501	Tautomer_Count	1
12634653	Exact_Mass	80.062600255
13704283	Total_Formal_Charge	0
134167153	Undefined_Bond_Stereo_Count	0
61988	XLogP3-AA	1
39468	Mono_Isotopic_Weight	291.18344366
9828911	Structure_Complexity	904
66602654	Defined_Atom_Stereo_Count	0
581206	Molecular_Weight	170.25
46204458	Molecular_Weight	554.7
94169	Hydrogen_Bond_Donor_Count	9
1823	Undefined_Atom_Stereo_Count	2
638278	TPSA	77.8
6451151	Non-hydrogen_Atom_Count	20
17892701	Isotope_Atom_Count	0
6579	TPSA	43.1
2735142	Covalent_Unit_Count	2
14022517	Defined_Atom_Stereo_Count	0
9793926	Hydrogen_Bond_Donor_Count	1
64832	Molecular_Weight	190.28
55300789	Undefined_Bond_Stereo_Count	0
11569967	Structure_Complexity	730
59248882	Mono_Isotopic_Weight	631.24807216
12486	Covalent_Unit_Count	1
18402	Isotope_Atom_Count	0
6973640	Non-hydrogen_Atom_Count	11
10991489	Undefined_Bond_Stereo_Count	0
10649	Undefined_Bond_Stereo_Count	0
2016	Undefined_Bond_Stereo_Count	0
24287	Exact_Mass	261.774663
15677233	Total_Formal_Charge	0
169952	Undefined_Bond_Stereo_Count	0
53340426	Isotope_Atom_Count	0
9885850	Hydrogen_Bond_Donor_Count	1
53145	Defined_Bond_Stereo_Count	0
92838	Defined_Bond_Stereo_Count	0
54192929	Total_Formal_Charge	0
12609623	Hydrogen_Bond_Acceptor_Count	2
2318095	Isotope_Atom_Count	0
8361	Isotope_Atom_Count	0
22598190	Hydrogen_Bond_Acceptor_Count	0
57217341	Total_Formal_Charge	0
890070	Defined_Bond_Stereo_Count	1
143009217	Mono_Isotopic_Weight	111.068413911
788	TPSA	382
5195	Molecular_Weight	187.28
11750009	Non-hydrogen_Atom_Count	29
14786268	Mono_Isotopic_Weight	114.068079557
10069991	Mono_Isotopic_Weight	407.0746777
101497	Undefined_Bond_Stereo_Count	0
163722493	Mono_Isotopic_Weight	95.073499291
73425158	Undefined_Bond_Stereo_Count	0
49858248	Defined_Atom_Stereo_Count	0
38464	Covalent_Unit_Count	1
8566	Exact_Mass	808.8803
90957864	Total_Formal_Charge	0
70689350	Mono_Isotopic_Weight	453.25489452
21889252	Mono_Isotopic_Weight	112.016043985
13315542	Isotope_Atom_Count	0
17787659	Exact_Mass	112.063662883
71762	Tautomer_Count	1001
41017	Tautomer_Count	1
44427236	Molecular_Weight	388.4
67416	Rotatable_Bond_Count	8
11517780	Hydrogen_Bond_Acceptor_Count	7
5487542	Isotope_Atom_Count	0
124921374	TPSA	231
125440	Mono_Isotopic_Weight	225.078978594
439250	Non-hydrogen_Atom_Count	10
97523	Hydrogen_Bond_Donor_Count	3
81837	Undefined_Atom_Stereo_Count	0
95876	Molecular_Weight	352.7
19754954	Molecular_Weight	100.16
19974934	Non-hydrogen_Atom_Count	8
20632752	Non-hydrogen_Atom_Count	7
436542	Tautomer_Count	1
270362	Hydrogen_Bond_Acceptor_Count	2
129681963	Exact_Mass	269.0486528
55289386	Hydrogen_Bond_Donor_Count	1
71583603	Structure_Complexity	558
123634	Defined_Atom_Stereo_Count	17
12676	Mono_Isotopic_Weight	191.93976
89769287	Hydrogen_Bond_Acceptor_Count	2
148350	Undefined_Atom_Stereo_Count	1
57159129	Total_Formal_Charge	0
124021	Defined_Atom_Stereo_Count	5
12755803	Structure_Complexity	85.6
48040	Mono_Isotopic_Weight	388.1917559
9833407	Isotope_Atom_Count	0
45358180	Mono_Isotopic_Weight	882.34445505
29877	Mono_Isotopic_Weight	180.089877630
8566	Isotope_Atom_Count	0
21252133	Total_Formal_Charge	0
5358902	Hydrogen_Bond_Acceptor_Count	4
250096	Isotope_Atom_Count	0
20289356	TPSA	49.7
57401680	Hydrogen_Bond_Acceptor_Count	5
7784	Exact_Mass	258.18310931
16186582	TPSA	824
79177995	Hydrogen_Bond_Acceptor_Count	2
636403	Mono_Isotopic_Weight	570.35565393
340026	Hydrogen_Bond_Acceptor_Count	6
9334	TPSA	18.1
229126	Rotatable_Bond_Count	4
9053	TPSA	74.6
58608	XLogP3-AA	3.4
24900874	TPSA	128
37890	Defined_Bond_Stereo_Count	0
11675388	Total_Formal_Charge	0
11758093	Defined_Bond_Stereo_Count	0
39732	XLogP3	6.3
102447462	TPSA	110
75836	Mono_Isotopic_Weight	214.193280068
2762834	Exact_Mass	113.027691913
21945716	Hydrogen_Bond_Acceptor_Count	1
449392	Rotatable_Bond_Count	4
71307	Undefined_Bond_Stereo_Count	0
75605138	Exact_Mass	428.0618375
88323	Hydrogen_Bond_Acceptor_Count	5
66550979	Rotatable_Bond_Count	7
110835	Covalent_Unit_Count	2
70691270	Covalent_Unit_Count	1
9804992	Non-hydrogen_Atom_Count	31
3482	Rotatable_Bond_Count	1
41322	Defined_Bond_Stereo_Count	0
409409	Hydrogen_Bond_Acceptor_Count	2
8103	Tautomer_Count	1
3082127	XLogP3-AA	2.4
57401370	Defined_Atom_Stereo_Count	1
219081	Rotatable_Bond_Count	5
7454	Exact_Mass	277.87649
73110	TPSA	146
50894	Structure_Complexity	373
9915039	Undefined_Atom_Stereo_Count	0
4418048	XLogP3	1
11249342	XLogP3	2.3
23092834	XLogP3-AA	1.5
85500	Structure_Complexity	543
135421876	Hydrogen_Bond_Donor_Count	2
57340467	Undefined_Atom_Stereo_Count	2
86656004	Non-hydrogen_Atom_Count	8
57395974	Exact_Mass	442.33077660
4630917	Covalent_Unit_Count	1
118210808	Undefined_Atom_Stereo_Count	2
21658180	Non-hydrogen_Atom_Count	73
11633344	Molecular_Weight	429.6
6101	Mono_Isotopic_Weight	172.01941529
54526114	Structure_Complexity	92.7
5440	Structure_Complexity	455
12546243	Non-hydrogen_Atom_Count	6
2735001	Non-hydrogen_Atom_Count	12
2967	Undefined_Bond_Stereo_Count	0
7977	Defined_Bond_Stereo_Count	0
4639	Defined_Atom_Stereo_Count	0
71357579	Exact_Mass	115.099714038
778602	Total_Formal_Charge	0
10132209	Hydrogen_Bond_Donor_Count	1
126011	Undefined_Atom_Stereo_Count	7
77596	Molecular_Weight	100.12
135440068	Molecular_Weight	267.24
57401194	Molecular_Weight	420.6
15951	Structure_Complexity	176
83899	Defined_Atom_Stereo_Count	0
44309990	Undefined_Atom_Stereo_Count	0
24871329	Covalent_Unit_Count	10
94233	Defined_Atom_Stereo_Count	0
75633	XLogP3-AA	0.5
2997881	Molecular_Weight	210.30
800463	Undefined_Atom_Stereo_Count	0
124173720	Hydrogen_Bond_Acceptor_Count	8
439240	Defined_Atom_Stereo_Count	3
17820198	Defined_Bond_Stereo_Count	0
94330	Undefined_Atom_Stereo_Count	0
3041260	Molecular_Weight	350.5
73707427	Hydrogen_Bond_Donor_Count	3
34452	Molecular_Weight	344.43
58863788	Defined_Bond_Stereo_Count	0
18303	TPSA	26.3
126737575	Hydrogen_Bond_Donor_Count	1
98026	Non-hydrogen_Atom_Count	13
42113	XLogP3-AA	2.6
2596914	Mono_Isotopic_Weight	372.11437830
11446863	Tautomer_Count	2
129695690	Total_Formal_Charge	0
10780	Tautomer_Count	1
91855653	Hydrogen_Bond_Donor_Count	8
136270342	Mono_Isotopic_Weight	99.032028402
54317152	TPSA	45.4
90895	Tautomer_Count	1
95941	Defined_Bond_Stereo_Count	0
6431	Covalent_Unit_Count	1
36431	TPSA	69.6
8194	Hydrogen_Bond_Acceptor_Count	1
13384041	Rotatable_Bond_Count	5
67246787	Isotope_Atom_Count	0
33196	Non-hydrogen_Atom_Count	22
135476770	Exact_Mass	257.11240398
42610	Structure_Complexity	521
55300789	Defined_Atom_Stereo_Count	0
70414	Rotatable_Bond_Count	7
104729	Hydrogen_Bond_Acceptor_Count	0
1801	Exact_Mass	160.074896272
72941511	TPSA	290
34359	Rotatable_Bond_Count	4
55113	Molecular_Weight	306.0
5139	Mono_Isotopic_Weight	104.04081944
6918446	Isotope_Atom_Count	0
29249	Isotope_Atom_Count	0
16436	Defined_Bond_Stereo_Count	0
56955281	Rotatable_Bond_Count	3
36965	Defined_Atom_Stereo_Count	0
21658180	Isotope_Atom_Count	0
30410	Isotope_Atom_Count	0
866607	Non-hydrogen_Atom_Count	23
14868	Isotope_Atom_Count	0
23103323	Defined_Atom_Stereo_Count	0
71674	Molecular_Weight	1404.2
17832308	Hydrogen_Bond_Donor_Count	1
21996040	TPSA	20.2
20138	Covalent_Unit_Count	1
59119	Mono_Isotopic_Weight	330.10544872
42076	XLogP3-AA	5.4
24561	Molecular_Weight	143.32
17757212	Mono_Isotopic_Weight	423.1574413
7683	Rotatable_Bond_Count	1
464	Mono_Isotopic_Weight	179.058243149
123489618	Non-hydrogen_Atom_Count	8
2723789	Undefined_Bond_Stereo_Count	0
94462	Undefined_Atom_Stereo_Count	0
23616254	Structure_Complexity	299
54685734	Isotope_Atom_Count	0
3649	Tautomer_Count	1
5139	Defined_Bond_Stereo_Count	0
2890	Total_Formal_Charge	0
104610	Defined_Atom_Stereo_Count	0
158550	Mono_Isotopic_Weight	802.35712773
20526803	Molecular_Weight	112.09
2547	Hydrogen_Bond_Donor_Count	14
851390	Defined_Atom_Stereo_Count	0
57403154	Hydrogen_Bond_Donor_Count	4
21519587	Undefined_Bond_Stereo_Count	0
4506	Undefined_Bond_Stereo_Count	0
57395973	Hydrogen_Bond_Acceptor_Count	4
65914	Total_Formal_Charge	0
21651128	Defined_Atom_Stereo_Count	0
10329946	Exact_Mass	181.06674293
114823056	XLogP3-AA	0.4
585174	TPSA	37.3
75828	Hydrogen_Bond_Acceptor_Count	1
15335183	Total_Formal_Charge	0
164543616	Structure_Complexity	114
57369982	Total_Formal_Charge	0
137018	Covalent_Unit_Count	1
49869041	Defined_Atom_Stereo_Count	0
21080	Rotatable_Bond_Count	4
87425008	Molecular_Weight	349.2
975	Hydrogen_Bond_Acceptor_Count	16
59999517	Mono_Isotopic_Weight	113.047678466
11296583	Rotatable_Bond_Count	7
5636	Defined_Bond_Stereo_Count	0
2734232	Covalent_Unit_Count	1
752860	Defined_Bond_Stereo_Count	0
72015	Hydrogen_Bond_Donor_Count	3
135391135	Isotope_Atom_Count	0
664081	Total_Formal_Charge	0
23136363	Non-hydrogen_Atom_Count	26
47675	Non-hydrogen_Atom_Count	16
987	Rotatable_Bond_Count	10
735940	Total_Formal_Charge	0
10037	Undefined_Atom_Stereo_Count	0
124933	Undefined_Atom_Stereo_Count	1
5702011	Exact_Mass	405.16099414
546259	Defined_Atom_Stereo_Count	0
19879	Defined_Atom_Stereo_Count	0
11446296	TPSA	40.5
7963	Structure_Complexity	46.1
14931	TPSA	59.3
11287722	Non-hydrogen_Atom_Count	16
6620134	Covalent_Unit_Count	1
13438401	Non-hydrogen_Atom_Count	8
20587	Total_Formal_Charge	0
21246587	Defined_Bond_Stereo_Count	1
129703	Molecular_Weight	186.25
161272	Non-hydrogen_Atom_Count	38
69777941	Non-hydrogen_Atom_Count	12
52941509	TPSA	42.4
86367	Mono_Isotopic_Weight	225.126597491
1235	Defined_Bond_Stereo_Count	0
5284572	Structure_Complexity	1520
135464373	Hydrogen_Bond_Acceptor_Count	5
21520336	Undefined_Bond_Stereo_Count	0
89356917	Undefined_Bond_Stereo_Count	0
12729368	TPSA	33
234237	Molecular_Weight	202.29
775	Tautomer_Count	8
17231	XLogP3	5
705388	Covalent_Unit_Count	1
17912	Covalent_Unit_Count	1
117190135	TPSA	61.3
46231499	Structure_Complexity	660
72200352	TPSA	90.8
70040	Defined_Bond_Stereo_Count	0
6918295	Covalent_Unit_Count	1
19966535	Isotope_Atom_Count	0
17719	Covalent_Unit_Count	1
58460742	Hydrogen_Bond_Acceptor_Count	1
22134406	Molecular_Weight	113.11
134129858	Molecular_Weight	439.0
20547	Hydrogen_Bond_Donor_Count	0
33311	Non-hydrogen_Atom_Count	21
83827	Defined_Atom_Stereo_Count	4
7873	Defined_Bond_Stereo_Count	0
10079	Defined_Bond_Stereo_Count	0
153031243	XLogP3-AA	2.2
23079483	XLogP3-AA	1.9
11182587	Isotope_Atom_Count	0
21145806	Total_Formal_Charge	0
5288018	TPSA	135
38875	Mono_Isotopic_Weight	289.922361
75311	Tautomer_Count	1
65825	TPSA	6.5
1712010	Total_Formal_Charge	0
9884439	Total_Formal_Charge	0
24748573	Defined_Atom_Stereo_Count	0
53631972	XLogP3-AA	0.3
82751	Isotope_Atom_Count	0
22996964	Hydrogen_Bond_Donor_Count	0
93740	Non-hydrogen_Atom_Count	21
2775816	Mono_Isotopic_Weight	124.0403406
87653	Undefined_Bond_Stereo_Count	0
60155097	Exact_Mass	448.17804118
60196290	Exact_Mass	532.23332757
92023654	Hydrogen_Bond_Donor_Count	7
101739878	Rotatable_Bond_Count	1
30209	Total_Formal_Charge	0
22082547	Hydrogen_Bond_Donor_Count	0
12681	XLogP3	0.7
68921	Non-hydrogen_Atom_Count	33
118499237	Isotope_Atom_Count	0
44320150	Defined_Atom_Stereo_Count	6
68576	Rotatable_Bond_Count	3
13003788	Covalent_Unit_Count	1
10034991	Rotatable_Bond_Count	3
7146	XLogP3-AA	1.9
73216	Total_Formal_Charge	0
9886	Undefined_Bond_Stereo_Count	0
7024	Covalent_Unit_Count	1
3082042	Tautomer_Count	256
310	Structure_Complexity	168
565610	Rotatable_Bond_Count	15
44392229	Hydrogen_Bond_Donor_Count	1
135456161	Total_Formal_Charge	0
45356876	Hydrogen_Bond_Donor_Count	1
444718	Isotope_Atom_Count	0
603946	Hydrogen_Bond_Acceptor_Count	3
19845539	Hydrogen_Bond_Acceptor_Count	3
26798	Hydrogen_Bond_Donor_Count	1
3000241	Defined_Bond_Stereo_Count	0
61305	Covalent_Unit_Count	1
25099	Undefined_Bond_Stereo_Count	0
88715	Non-hydrogen_Atom_Count	18
10310632	Hydrogen_Bond_Acceptor_Count	5
38971	Hydrogen_Bond_Donor_Count	2
9062	Rotatable_Bond_Count	1
23663973	Structure_Complexity	452
19786354	Hydrogen_Bond_Donor_Count	0
9865421	Total_Formal_Charge	0
9085	Undefined_Atom_Stereo_Count	0
39976	Defined_Atom_Stereo_Count	0
10701	Total_Formal_Charge	0
102513886	Isotope_Atom_Count	0
90996	Structure_Complexity	316
58806287	Undefined_Bond_Stereo_Count	0
23948	Rotatable_Bond_Count	0
11604	TPSA	23.8
5355863	Undefined_Bond_Stereo_Count	0
71361084	Hydrogen_Bond_Donor_Count	1
65793	Undefined_Bond_Stereo_Count	0
68078	XLogP3-AA	4.7
28131	Structure_Complexity	206
73847	Hydrogen_Bond_Donor_Count	0
86751	Structure_Complexity	97
64627	TPSA	69.3
21417244	Undefined_Bond_Stereo_Count	0
11655069	Mono_Isotopic_Weight	438.1016207
16047027	Covalent_Unit_Count	2
5281793	Isotope_Atom_Count	0
20465494	Hydrogen_Bond_Acceptor_Count	2
87370	Hydrogen_Bond_Acceptor_Count	1
62576	Hydrogen_Bond_Donor_Count	0
2482	Hydrogen_Bond_Acceptor_Count	3
11164	Structure_Complexity	35.9
15431	XLogP3-AA	3.5
6917656	Undefined_Bond_Stereo_Count	0
9945189	Molecular_Weight	326.34
135413523	Mono_Isotopic_Weight	666.23192722
21655019	Exact_Mass	84.032362755
82953	Rotatable_Bond_Count	0
1364	XLogP3-AA	6.2
4030	Rotatable_Bond_Count	4
193390	Total_Formal_Charge	0
22591521	Structure_Complexity	104
6364548	Total_Formal_Charge	0
71773	Defined_Bond_Stereo_Count	0
12196071	Undefined_Bond_Stereo_Count	0
10923804	Structure_Complexity	240
74348	Defined_Atom_Stereo_Count	0
303547	TPSA	43.1
12895043	Hydrogen_Bond_Acceptor_Count	3
74413	Total_Formal_Charge	0
16404350	Structure_Complexity	2330
105427002	Non-hydrogen_Atom_Count	8
449242	Molecular_Weight	360.26
41955	Isotope_Atom_Count	0
782	Undefined_Atom_Stereo_Count	1
60196397	Hydrogen_Bond_Donor_Count	0
62418	TPSA	63.3
153665501	TPSA	0
4017	Undefined_Bond_Stereo_Count	0
129864127	Undefined_Bond_Stereo_Count	0
8473	Defined_Atom_Stereo_Count	0
3427828	Non-hydrogen_Atom_Count	19
22754947	Non-hydrogen_Atom_Count	13
12089	Exact_Mass	152.058577502
90997437	Covalent_Unit_Count	1
2759255	XLogP3-AA	0.1
11372	Hydrogen_Bond_Acceptor_Count	0
81278	Defined_Bond_Stereo_Count	0
112265	Structure_Complexity	72.5
3016416	Exact_Mass	335.15551483
19707	Defined_Atom_Stereo_Count	0
3883	Covalent_Unit_Count	1
77286	XLogP3	2.7
92400	Non-hydrogen_Atom_Count	29
86566	Defined_Bond_Stereo_Count	0
12107	Undefined_Bond_Stereo_Count	0
9601227	Tautomer_Count	3
23080446	Defined_Atom_Stereo_Count	0
21407	Hydrogen_Bond_Donor_Count	1
98511	Non-hydrogen_Atom_Count	15
71435578	Hydrogen_Bond_Donor_Count	0
102446	Defined_Bond_Stereo_Count	0
10761	Total_Formal_Charge	0
95978	TPSA	26.3
135491830	Undefined_Bond_Stereo_Count	0
4534	Hydrogen_Bond_Acceptor_Count	4
2813772	Rotatable_Bond_Count	3
2125	Rotatable_Bond_Count	4
35949	Total_Formal_Charge	0
12773795	Hydrogen_Bond_Donor_Count	0
19601937	Rotatable_Bond_Count	26
60196334	Undefined_Bond_Stereo_Count	0
443003	TPSA	60.8
24096961	Tautomer_Count	1
76374506	Molecular_Weight	541.6
5289501	Covalent_Unit_Count	1
23696523	Defined_Atom_Stereo_Count	0
71253	Mono_Isotopic_Weight	382.16747650
39528	Tautomer_Count	3
57261612	Mono_Isotopic_Weight	109.063997236
58137137	Rotatable_Bond_Count	5
3080938	Tautomer_Count	1
8477	Defined_Atom_Stereo_Count	0
9871092	Mono_Isotopic_Weight	513.00175130
6917778	TPSA	46.3
162413	XLogP3	3.7
12564	Rotatable_Bond_Count	1
21996048	Structure_Complexity	88.4
55290205	Exact_Mass	98.048012819
13293131	Isotope_Atom_Count	0
8314	Total_Formal_Charge	0
92129	Defined_Bond_Stereo_Count	0
3410	TPSA	90.8
11733	Hydrogen_Bond_Donor_Count	0
532	Hydrogen_Bond_Donor_Count	10
1560	Non-hydrogen_Atom_Count	19
145188444	TPSA	55.4
122706285	Hydrogen_Bond_Donor_Count	4
56665391	Structure_Complexity	617
136037280	Defined_Atom_Stereo_Count	0
53424410	Rotatable_Bond_Count	1
44627	Hydrogen_Bond_Acceptor_Count	3
256019	Defined_Bond_Stereo_Count	0
33363	Mono_Isotopic_Weight	267.162314293
95431	Covalent_Unit_Count	1
56886	Molecular_Weight	275.3
28430	Total_Formal_Charge	0
451447	Exact_Mass	279.0734316
173636	Hydrogen_Bond_Donor_Count	2
36750	Molecular_Weight	341.4
28361	Total_Formal_Charge	0
85576	Structure_Complexity	136
5983	Isotope_Atom_Count	0
10866300	Defined_Atom_Stereo_Count	0
7855	Tautomer_Count	1
12202794	Hydrogen_Bond_Donor_Count	1
33625	Exact_Mass	347.199762429
135802074	Defined_Bond_Stereo_Count	0
57445155	Total_Formal_Charge	0
213043	Rotatable_Bond_Count	5
94412	Hydrogen_Bond_Donor_Count	1
71306354	Structure_Complexity	4380
155894642	Undefined_Atom_Stereo_Count	0
74408664	Non-hydrogen_Atom_Count	36
13388558	Mono_Isotopic_Weight	310.0212875
164511668	Mono_Isotopic_Weight	230.02355192
11182	Undefined_Atom_Stereo_Count	0
33919	Isotope_Atom_Count	0
152306	Isotope_Atom_Count	0
14970970	Isotope_Atom_Count	0
21903	Defined_Bond_Stereo_Count	0
99334	Covalent_Unit_Count	1
87081618	Total_Formal_Charge	0
86640	Total_Formal_Charge	0
19969	Defined_Bond_Stereo_Count	0
73227	Hydrogen_Bond_Acceptor_Count	2
154141939	Hydrogen_Bond_Acceptor_Count	3
8041	Defined_Atom_Stereo_Count	0
13804427	Hydrogen_Bond_Donor_Count	1
22753628	Undefined_Atom_Stereo_Count	0
69860	Total_Formal_Charge	0
107807	Structure_Complexity	524
67285	Mono_Isotopic_Weight	171.104799419
9330	Covalent_Unit_Count	1
6829	Non-hydrogen_Atom_Count	15
57442010	TPSA	116
47714	Hydrogen_Bond_Acceptor_Count	4
16891	Molecular_Weight	242.27
6427102	Undefined_Bond_Stereo_Count	0
3483736	Total_Formal_Charge	1
33309	Isotope_Atom_Count	0
821500	Isotope_Atom_Count	0
57040555	Structure_Complexity	96.4
142552	Non-hydrogen_Atom_Count	8
5486194	Rotatable_Bond_Count	8
54220457	Total_Formal_Charge	0
60196334	Undefined_Atom_Stereo_Count	0
127909	Rotatable_Bond_Count	12
45375806	Hydrogen_Bond_Acceptor_Count	11
3140955	Total_Formal_Charge	0
3401849	Isotope_Atom_Count	0
4969	Exact_Mass	331.14197277
66986	Rotatable_Bond_Count	12
19549	Undefined_Atom_Stereo_Count	0
411817	Undefined_Bond_Stereo_Count	0
17751002	Isotope_Atom_Count	0
13651	Total_Formal_Charge	0
12228440	Rotatable_Bond_Count	3
398513	Mono_Isotopic_Weight	578.02108976
135410917	Tautomer_Count	4
13545127	Defined_Atom_Stereo_Count	0
23684896	Total_Formal_Charge	0
57449500	Structure_Complexity	84.4
1951	Molecular_Weight	564.5
70544	TPSA	15.3
59630	Molecular_Weight	297.5
72187524	Covalent_Unit_Count	3
98771	TPSA	41.1
11000	Total_Formal_Charge	0
638072	Hydrogen_Bond_Acceptor_Count	0
87503479	Defined_Atom_Stereo_Count	0
5354486	Covalent_Unit_Count	1
219357	Undefined_Bond_Stereo_Count	0
165637859	Total_Formal_Charge	0
49865785	Defined_Bond_Stereo_Count	0
25102938	Mono_Isotopic_Weight	361.11210749
11815284	Structure_Complexity	23.5
444182	Undefined_Bond_Stereo_Count	0
145994872	Hydrogen_Bond_Donor_Count	2
6437064	Non-hydrogen_Atom_Count	50
80278	Molecular_Weight	248.25
5287851	Undefined_Bond_Stereo_Count	0
24180717	Mono_Isotopic_Weight	412.17869263
637927	Isotope_Atom_Count	0
71674	XLogP3-AA	0.6
73950789	Total_Formal_Charge	0
71160	TPSA	52.6
11622593	Structure_Complexity	280
11619519	Mono_Isotopic_Weight	458.0968101
70919851	Hydrogen_Bond_Acceptor_Count	11
10442251	Structure_Complexity	214
13264589	Hydrogen_Bond_Acceptor_Count	1
56654130	TPSA	77.5
543880	Covalent_Unit_Count	1
142962972	Exact_Mass	110.073164938
86747	Covalent_Unit_Count	1
92874	Undefined_Bond_Stereo_Count	0
12387212	Undefined_Bond_Stereo_Count	0
31331	Tautomer_Count	1
21180574	Rotatable_Bond_Count	0
56965681	Non-hydrogen_Atom_Count	7
12231381	Undefined_Atom_Stereo_Count	1
3195	Defined_Atom_Stereo_Count	0
7336	Total_Formal_Charge	0
5487888	Mono_Isotopic_Weight	397.05146094
10568280	XLogP3-AA	2
62485	TPSA	50.9
8364	Defined_Bond_Stereo_Count	0
245729	Hydrogen_Bond_Donor_Count	2
12001831	Isotope_Atom_Count	0
133083079	Undefined_Atom_Stereo_Count	0
5289394	Rotatable_Bond_Count	11
119747	Hydrogen_Bond_Acceptor_Count	19
15024801	Hydrogen_Bond_Donor_Count	0
147336409	Mono_Isotopic_Weight	94.078250319
534610	Undefined_Bond_Stereo_Count	0
24197462	Exact_Mass	397.060151
53917786	Undefined_Bond_Stereo_Count	0
92729	Covalent_Unit_Count	1
40234	Hydrogen_Bond_Donor_Count	0
86062	Non-hydrogen_Atom_Count	7
12452042	Hydrogen_Bond_Acceptor_Count	1
581383	Hydrogen_Bond_Donor_Count	0
534012	XLogP3-AA	0.9
56955067	Hydrogen_Bond_Acceptor_Count	2
5483631	Undefined_Atom_Stereo_Count	0
26058	TPSA	0
37419	Defined_Atom_Stereo_Count	0
110806	TPSA	46.5
123224323	Isotope_Atom_Count	0
90334	Hydrogen_Bond_Donor_Count	1
9936489	Molecular_Weight	520.0
14646171	Undefined_Atom_Stereo_Count	1
57515	Hydrogen_Bond_Donor_Count	2
33721	Hydrogen_Bond_Donor_Count	1
6538998	Rotatable_Bond_Count	10
829002	Defined_Atom_Stereo_Count	1
20062226	Defined_Bond_Stereo_Count	0
3033673	Rotatable_Bond_Count	5
24663	Undefined_Bond_Stereo_Count	0
5462222	Covalent_Unit_Count	1
93032	Isotope_Atom_Count	0
139062654	Hydrogen_Bond_Acceptor_Count	12
10645	Exact_Mass	332.1113975
93563	TPSA	17.1
10496498	Hydrogen_Bond_Donor_Count	0
31762	Structure_Complexity	522
6849	Molecular_Weight	173.17
11029806	TPSA	43.4
68353	Hydrogen_Bond_Donor_Count	0
26181	Total_Formal_Charge	0
44320150	Isotope_Atom_Count	0
903168	Mono_Isotopic_Weight	329.0059467
5464190	Exact_Mass	480.12496023
20253	Defined_Bond_Stereo_Count	0
10197612	Isotope_Atom_Count	0
135678081	Isotope_Atom_Count	0
54076653	Undefined_Bond_Stereo_Count	0
1211493	Hydrogen_Bond_Acceptor_Count	3
735940	Hydrogen_Bond_Donor_Count	0
8593	Defined_Bond_Stereo_Count	0
14829	Total_Formal_Charge	0
10131269	Defined_Atom_Stereo_Count	2
23665037	Structure_Complexity	426
12763	Hydrogen_Bond_Acceptor_Count	0
258030	Molecular_Weight	127.57
10646616	Undefined_Bond_Stereo_Count	0
78576	Mono_Isotopic_Weight	189.126597491
5758	TPSA	37.3
47462	Undefined_Atom_Stereo_Count	0
21893797	TPSA	12
76973216	Hydrogen_Bond_Donor_Count	4
6437405	Covalent_Unit_Count	1
7525	Structure_Complexity	59.5
62510	Tautomer_Count	1
449424	Defined_Bond_Stereo_Count	0
66764350	Mono_Isotopic_Weight	164.03859095
23960	Isotope_Atom_Count	0
9577230	Rotatable_Bond_Count	16
5497105	Covalent_Unit_Count	1
176864	Defined_Bond_Stereo_Count	0
493949	Mono_Isotopic_Weight	201.98883880
3058753	Undefined_Atom_Stereo_Count	0
36781	TPSA	21.3
250079	Undefined_Atom_Stereo_Count	2
10197612	Hydrogen_Bond_Donor_Count	0
24568	Molecular_Weight	458.3
18787	Defined_Bond_Stereo_Count	0
55286252	Non-hydrogen_Atom_Count	10
2817	Structure_Complexity	165
1573	Covalent_Unit_Count	1
22094758	Exact_Mass	112.052429494
141407440	XLogP3-AA	0.9
101796201	Defined_Bond_Stereo_Count	0
118318030	Covalent_Unit_Count	1
151039	Rotatable_Bond_Count	2
40550	Undefined_Atom_Stereo_Count	0
57053963	Covalent_Unit_Count	1
3014096	XLogP3	2.8
193991	Exact_Mass	318.11906976
8317	Exact_Mass	456.115029749
6536825	TPSA	121
7415	Covalent_Unit_Count	1
25116186	Isotope_Atom_Count	0
5280497	Defined_Atom_Stereo_Count	5
13235324	Undefined_Bond_Stereo_Count	0
122087	Hydrogen_Bond_Donor_Count	1
39106	Defined_Bond_Stereo_Count	0
17253	Structure_Complexity	427
6148	Molecular_Weight	275.4
102093221	Hydrogen_Bond_Donor_Count	3
65844	Rotatable_Bond_Count	1
35343	TPSA	0
12303424	Non-hydrogen_Atom_Count	19
70697366	XLogP3-AA	3.5
197060	Defined_Atom_Stereo_Count	4
22764074	Hydrogen_Bond_Donor_Count	0
439655	Rotatable_Bond_Count	3
62884	Rotatable_Bond_Count	4
39764	Non-hydrogen_Atom_Count	41
74685	Hydrogen_Bond_Acceptor_Count	2
23960	Defined_Bond_Stereo_Count	0
6426740	Isotope_Atom_Count	0
14912114	Undefined_Bond_Stereo_Count	0
76113449	Mono_Isotopic_Weight	110.073164938
70821	Structure_Complexity	219
7982	Isotope_Atom_Count	0
11281011	Molecular_Weight	399.9
101576	XLogP3-AA	3.1
174341	Hydrogen_Bond_Acceptor_Count	2
11527661	Defined_Atom_Stereo_Count	1
444853	Mono_Isotopic_Weight	460.20971797
12885796	Defined_Atom_Stereo_Count	0
6441082	Molecular_Weight	356.4
2826	Tautomer_Count	1
12051	Total_Formal_Charge	0
533866	Structure_Complexity	37.1
69839	TPSA	9.2
522251	Defined_Bond_Stereo_Count	0
95659	Mono_Isotopic_Weight	198.104465066
9518	Undefined_Atom_Stereo_Count	0
97660	Total_Formal_Charge	0
45878	Hydrogen_Bond_Donor_Count	0
599131	Defined_Atom_Stereo_Count	0
71124	Exact_Mass	702.29817356
89669330	Structure_Complexity	382
13187	Undefined_Bond_Stereo_Count	0
11582982	XLogP3-AA	3.1
6919055	Total_Formal_Charge	1
12309467	Total_Formal_Charge	0
450503	Covalent_Unit_Count	1
57404062	Isotope_Atom_Count	0
121209144	Exact_Mass	113.084063974
24840146	Total_Formal_Charge	0
6918973	Rotatable_Bond_Count	5
54678431	Structure_Complexity	681
263639	Mono_Isotopic_Weight	112.088815002
12636118	Total_Formal_Charge	0
131954782	Structure_Complexity	2640
119175	Isotope_Atom_Count	0
13445099	Rotatable_Bond_Count	4
90657669	Structure_Complexity	1220
20980871	Tautomer_Count	1
105130	Tautomer_Count	1
75581	Rotatable_Bond_Count	0
21675743	Covalent_Unit_Count	1
756126	Undefined_Atom_Stereo_Count	0
7329	Non-hydrogen_Atom_Count	17
21252133	Molecular_Weight	114.19
5648	Rotatable_Bond_Count	10
698851	Defined_Bond_Stereo_Count	0
123257569	Structure_Complexity	117
44580386	Mono_Isotopic_Weight	470.14871294
11843834	Defined_Atom_Stereo_Count	0
167659	Molecular_Weight	172.15
98790	Molecular_Weight	232.10
138107	Non-hydrogen_Atom_Count	6
4479912	Hydrogen_Bond_Acceptor_Count	13
66783827	Undefined_Bond_Stereo_Count	0
17343	Exact_Mass	261.893590
148022	XLogP3-AA	0.2
16318	Molecular_Weight	498.6
3005587	Rotatable_Bond_Count	0
47	Hydrogen_Bond_Acceptor_Count	3
4912932	Isotope_Atom_Count	0
596935	Molecular_Weight	221.32
110976	Covalent_Unit_Count	1
6476	Total_Formal_Charge	0
23661868	Non-hydrogen_Atom_Count	15
6432236	Defined_Atom_Stereo_Count	0
33603	Molecular_Weight	212.25
4594378	Rotatable_Bond_Count	4
6332	Total_Formal_Charge	0
3010347	Hydrogen_Bond_Donor_Count	1
122236791	Hydrogen_Bond_Donor_Count	1
556998	Undefined_Bond_Stereo_Count	0
10258659	Isotope_Atom_Count	0
87653	Defined_Atom_Stereo_Count	0
4668904	Mono_Isotopic_Weight	241.8703672
18442764	Undefined_Bond_Stereo_Count	0
2792	Undefined_Atom_Stereo_Count	7
70544	Tautomer_Count	4
94599	Defined_Bond_Stereo_Count	0
13311642	Total_Formal_Charge	0
129830713	Non-hydrogen_Atom_Count	15
12842598	Mono_Isotopic_Weight	87.068413911
11640298	Hydrogen_Bond_Acceptor_Count	5
53477794	Defined_Bond_Stereo_Count	1
284161	Hydrogen_Bond_Donor_Count	2
84481	TPSA	73.3
88153938	Structure_Complexity	93.1
12553930	Covalent_Unit_Count	1
140765	Defined_Atom_Stereo_Count	0
5479539	Rotatable_Bond_Count	6
5284361	XLogP3-AA	6.7
66008	Structure_Complexity	274
23663982	Hydrogen_Bond_Acceptor_Count	5
514067	Isotope_Atom_Count	0
23663539	Exact_Mass	287.825997
11476771	Hydrogen_Bond_Donor_Count	2
73879	Hydrogen_Bond_Acceptor_Count	0
678081	Hydrogen_Bond_Acceptor_Count	4
61908225	Undefined_Atom_Stereo_Count	1
5354	Non-hydrogen_Atom_Count	23
14025	Mono_Isotopic_Weight	280.13421502
35949	Hydrogen_Bond_Donor_Count	0
122517441	Molecular_Weight	270.32
11083833	Covalent_Unit_Count	1
52943302	Rotatable_Bond_Count	6
11492381	Hydrogen_Bond_Donor_Count	0
163701	Covalent_Unit_Count	2
24870942	Structure_Complexity	1220
59830609	XLogP3-AA	4.4
72266	Total_Formal_Charge	0
58737	XLogP3-AA	4.9
46883936	Total_Formal_Charge	0
21916	Hydrogen_Bond_Acceptor_Count	2
24891700	Undefined_Atom_Stereo_Count	0
148202	Total_Formal_Charge	0
64915	Isotope_Atom_Count	0
60877	Hydrogen_Bond_Acceptor_Count	5
101399329	Hydrogen_Bond_Acceptor_Count	2
8566	Tautomer_Count	6
18639728	Molecular_Weight	154.25
59221	Mono_Isotopic_Weight	367.15108
3883	Undefined_Atom_Stereo_Count	1
18690759	Structure_Complexity	109
22420	Mono_Isotopic_Weight	278.0353848
35365	Defined_Bond_Stereo_Count	0
6957672	Covalent_Unit_Count	1
59145	Defined_Atom_Stereo_Count	0
297691	Rotatable_Bond_Count	3
15951529	Defined_Atom_Stereo_Count	0
22135	Defined_Bond_Stereo_Count	0
135718449	Defined_Atom_Stereo_Count	0
17912027	Non-hydrogen_Atom_Count	7
94926	Hydrogen_Bond_Acceptor_Count	4
23681141	Total_Formal_Charge	0
5355863	Defined_Atom_Stereo_Count	0
88043361	TPSA	66.9
54732122	Exact_Mass	324.09977361
12559270	Undefined_Bond_Stereo_Count	0
10882	TPSA	26.3
57624328	Defined_Bond_Stereo_Count	0
102029	Hydrogen_Bond_Donor_Count	1
74080	Mono_Isotopic_Weight	106.053098200
24848403	Mono_Isotopic_Weight	321.1971756
60838	Rotatable_Bond_Count	5
168884	Exact_Mass	471.16343
75240	Total_Formal_Charge	0
1548	Hydrogen_Bond_Donor_Count	3
93186	Defined_Bond_Stereo_Count	0
12649776	Structure_Complexity	74.1
20145490	Exact_Mass	110.073164938
135084	Tautomer_Count	18
9425	Non-hydrogen_Atom_Count	37
50923	Tautomer_Count	2
72871	Defined_Atom_Stereo_Count	0
70040	Molecular_Weight	212.29
139088080	Mono_Isotopic_Weight	343.02079
68156	Defined_Bond_Stereo_Count	0
42174	Total_Formal_Charge	0
55300514	Defined_Atom_Stereo_Count	0
2132	Rotatable_Bond_Count	3
7506	Defined_Bond_Stereo_Count	0
859783	Undefined_Bond_Stereo_Count	0
19431	Undefined_Atom_Stereo_Count	0
18530	Total_Formal_Charge	0
9812772	Hydrogen_Bond_Acceptor_Count	2
31312	Non-hydrogen_Atom_Count	35
21058180	Hydrogen_Bond_Donor_Count	0
88728889	TPSA	58.7
71311382	Structure_Complexity	443
887798	Covalent_Unit_Count	1
6099959	Mono_Isotopic_Weight	449.9621801
148241675	Defined_Atom_Stereo_Count	0
81382	Non-hydrogen_Atom_Count	30
53297469	Rotatable_Bond_Count	4
34023	XLogP3	1.2
74015886	Structure_Complexity	483
16076883	Molecular_Weight	748.3
24856436	Covalent_Unit_Count	1
350445	Defined_Bond_Stereo_Count	0
9920369	Structure_Complexity	109
538736	Total_Formal_Charge	0
3075	Isotope_Atom_Count	0
5370325	Undefined_Bond_Stereo_Count	0
132941102	Undefined_Bond_Stereo_Count	0
123875607	XLogP3-AA	0.1
517348	Mono_Isotopic_Weight	164.04419074
279819	Hydrogen_Bond_Donor_Count	5
1507	Total_Formal_Charge	1
23724935	Structure_Complexity	447
15273916	TPSA	21.6
59561	Hydrogen_Bond_Acceptor_Count	2
2724170	Isotope_Atom_Count	0
894	Molecular_Weight	349.23
69986	Mono_Isotopic_Weight	139.026943022
47649	Molecular_Weight	160.3
24598	Covalent_Unit_Count	4
44563066	Covalent_Unit_Count	1
6365696	Exact_Mass	280.240230259
10047003	Non-hydrogen_Atom_Count	28
21630	Covalent_Unit_Count	1
8177	XLogP3	0.6
22450283	Isotope_Atom_Count	0
12385939	Structure_Complexity	111
51042438	Hydrogen_Bond_Acceptor_Count	6
54758308	Mono_Isotopic_Weight	471.26342531
5280970	Tautomer_Count	1
163321054	Hydrogen_Bond_Donor_Count	8
59111489	Undefined_Atom_Stereo_Count	6
53322430	Mono_Isotopic_Weight	320.13855916
441	Isotope_Atom_Count	0
89760664	Rotatable_Bond_Count	1
74068	TPSA	50.1
10251906	Defined_Bond_Stereo_Count	0
12068306	Exact_Mass	94.078250319
7530	Undefined_Bond_Stereo_Count	0
99516	Mono_Isotopic_Weight	416.32904526
12348	Hydrogen_Bond_Acceptor_Count	2
9812790	Covalent_Unit_Count	1
66028	Defined_Bond_Stereo_Count	0
6441265	Covalent_Unit_Count	1
6552009	Covalent_Unit_Count	1
11693521	TPSA	172
18713001	Mono_Isotopic_Weight	99.104799419
5370052	Covalent_Unit_Count	1
26089	Hydrogen_Bond_Acceptor_Count	4
5287792	Structure_Complexity	497
18616487	Covalent_Unit_Count	1
108078	Covalent_Unit_Count	1
42552713	Total_Formal_Charge	0
259577	Non-hydrogen_Atom_Count	30
12705044	Molecular_Weight	104.15
5280445	Molecular_Weight	286.24
154091501	Non-hydrogen_Atom_Count	8
79483	Undefined_Bond_Stereo_Count	0
57465876	Exact_Mass	98.060588879
2779031	Structure_Complexity	237
581383	TPSA	18.5
78363	Undefined_Atom_Stereo_Count	0
53631526	Undefined_Bond_Stereo_Count	0
9807600	Structure_Complexity	694
5497143	Defined_Bond_Stereo_Count	1
25014762	Structure_Complexity	553
52944681	Exact_Mass	399.13944780
13922	Defined_Bond_Stereo_Count	0
6537431	Total_Formal_Charge	0
73943	Mono_Isotopic_Weight	154.02416388
34461	Structure_Complexity	295
47297	Defined_Bond_Stereo_Count	0
19338	XLogP3-AA	2.6
12313170	Hydrogen_Bond_Acceptor_Count	10
155448	Structure_Complexity	263
66646	Rotatable_Bond_Count	1
9793714	Structure_Complexity	39.1
60078648	Defined_Bond_Stereo_Count	0
6604889	Hydrogen_Bond_Donor_Count	1
163321054	Rotatable_Bond_Count	24
57394210	Rotatable_Bond_Count	8
7336	Hydrogen_Bond_Donor_Count	0
644077	Undefined_Bond_Stereo_Count	0
14895679	Molecular_Weight	87.12
54891	Structure_Complexity	648
44555481	Defined_Atom_Stereo_Count	1
84265	Structure_Complexity	235
7898	Undefined_Bond_Stereo_Count	0
142773668	Hydrogen_Bond_Donor_Count	1
53464	Structure_Complexity	322
6445562	Isotope_Atom_Count	0
16130957	Mono_Isotopic_Weight	1568.8423034
56162	Defined_Bond_Stereo_Count	0
135596593	Covalent_Unit_Count	1
37249	Structure_Complexity	258
540987	Mono_Isotopic_Weight	388.20971797
88715	TPSA	73.5
8901	Molecular_Weight	96.13
24967621	Rotatable_Bond_Count	7
117717938	Structure_Complexity	382
9958041	Tautomer_Count	2
25526	Total_Formal_Charge	0
90750	Covalent_Unit_Count	1
65987055	Exact_Mass	99.068413911
13253262	Isotope_Atom_Count	0
70697255	Rotatable_Bond_Count	17
23284	Non-hydrogen_Atom_Count	20
135402034	Exact_Mass	283.09166853
166548151	Hydrogen_Bond_Acceptor_Count	1
12681	Mono_Isotopic_Weight	160.07355886
25015694	Undefined_Bond_Stereo_Count	0
625469	Defined_Bond_Stereo_Count	0
675	Molecular_Weight	146.19
10387485	Molecular_Weight	422.2
94462	Molecular_Weight	257.83
65759	Structure_Complexity	582
36547	Mono_Isotopic_Weight	270.08920892
67825	Isotope_Atom_Count	0
8060	Tautomer_Count	1
706285	Defined_Atom_Stereo_Count	0
136461	Mono_Isotopic_Weight	66.0469501914
56841013	Structure_Complexity	488
57586319	Undefined_Bond_Stereo_Count	0
11315250	Structure_Complexity	527
444020	Defined_Bond_Stereo_Count	0
4692287	Structure_Complexity	650
51668574	Mono_Isotopic_Weight	465.18212350
145454	Structure_Complexity	381
69288	Non-hydrogen_Atom_Count	18
7408	Isotope_Atom_Count	0
27368	Undefined_Atom_Stereo_Count	1
44224131	Mono_Isotopic_Weight	376.0760747
2995	Non-hydrogen_Atom_Count	20
53315110	Non-hydrogen_Atom_Count	18
23675341	Hydrogen_Bond_Donor_Count	2
27642	Molecular_Weight	134.13
54081	Rotatable_Bond_Count	12
6914	Tautomer_Count	1
43157	Covalent_Unit_Count	1
73513	XLogP3-AA	1.5
18430414	Hydrogen_Bond_Acceptor_Count	6
4468	Total_Formal_Charge	0
24846	Mono_Isotopic_Weight	164.01030715
135484551	Hydrogen_Bond_Donor_Count	4
8146	Undefined_Bond_Stereo_Count	0
28431	Exact_Mass	114.068079557
439456	Hydrogen_Bond_Donor_Count	9
3680	Isotope_Atom_Count	0
14434846	Undefined_Bond_Stereo_Count	0
6427574	Hydrogen_Bond_Acceptor_Count	2
291703	Rotatable_Bond_Count	1
146159909	Total_Formal_Charge	0
61067	Molecular_Weight	116.16
14257662	Isotope_Atom_Count	0
4231972	Defined_Atom_Stereo_Count	0
656823	Defined_Bond_Stereo_Count	0
15853020	Hydrogen_Bond_Acceptor_Count	2
26058	Total_Formal_Charge	0
165157	Structure_Complexity	1500
17822053	Undefined_Bond_Stereo_Count	0
12274	Total_Formal_Charge	0
123792	Rotatable_Bond_Count	17
440946	Hydrogen_Bond_Donor_Count	11
521280	Defined_Bond_Stereo_Count	0
19659	Defined_Atom_Stereo_Count	0
129726370	Mono_Isotopic_Weight	266.224580195
7029	Covalent_Unit_Count	1
66636	Mono_Isotopic_Weight	232.08479225
9803225	Hydrogen_Bond_Donor_Count	2
9866186	Rotatable_Bond_Count	4
6922967	Exact_Mass	166.123189134
5311381	Hydrogen_Bond_Donor_Count	2
91272	Structure_Complexity	429
62810	Undefined_Atom_Stereo_Count	0
22505043	Covalent_Unit_Count	1
24972597	Rotatable_Bond_Count	1
1549237	Hydrogen_Bond_Donor_Count	0
15979	TPSA	0
20448998	TPSA	52
9812414	TPSA	365
172306	Exact_Mass	591.1707033
593578	Isotope_Atom_Count	0
6479653	TPSA	355
2762918	Undefined_Atom_Stereo_Count	0
146480	Tautomer_Count	5
5384876	Defined_Atom_Stereo_Count	0
23338788	Hydrogen_Bond_Acceptor_Count	2
5281071	Hydrogen_Bond_Donor_Count	1
72712745	Undefined_Bond_Stereo_Count	0
66749731	Undefined_Bond_Stereo_Count	0
10991161	Isotope_Atom_Count	0
18710045	XLogP3-AA	1.4
44263854	Hydrogen_Bond_Acceptor_Count	8
859122	Hydrogen_Bond_Donor_Count	0
12729	Total_Formal_Charge	0
10534635	Undefined_Bond_Stereo_Count	0
127757	Isotope_Atom_Count	0
14453670	TPSA	20.2
70580528	Defined_Atom_Stereo_Count	7
13276908	Hydrogen_Bond_Donor_Count	1
164330	Covalent_Unit_Count	9
59750537	XLogP3-AA	1
3776755	Hydrogen_Bond_Acceptor_Count	0
77807	Non-hydrogen_Atom_Count	16
67258976	Undefined_Atom_Stereo_Count	0
90818	Tautomer_Count	1
19063438	Total_Formal_Charge	0
23077956	Defined_Bond_Stereo_Count	0
145755	Rotatable_Bond_Count	0
24759089	Undefined_Atom_Stereo_Count	0
125032907	Defined_Atom_Stereo_Count	6
54682505	Structure_Complexity	558
23712863	Rotatable_Bond_Count	0
54195578	XLogP3-AA	2.7
155794	Structure_Complexity	387
13283	Hydrogen_Bond_Acceptor_Count	2
79003661	Defined_Bond_Stereo_Count	0
124770286	Undefined_Atom_Stereo_Count	0
137185902	Total_Formal_Charge	0
5257187	Structure_Complexity	304
513917	Molecular_Weight	256.21
9885442	Undefined_Atom_Stereo_Count	0
5364919	Hydrogen_Bond_Acceptor_Count	1
76127	Mono_Isotopic_Weight	226.01350
60207207	Undefined_Bond_Stereo_Count	0
6917754	Tautomer_Count	1
161094261	TPSA	0
53629499	Isotope_Atom_Count	0
12317347	Defined_Atom_Stereo_Count	0
862	Hydrogen_Bond_Acceptor_Count	23
492767	Total_Formal_Charge	0
9854489	Defined_Atom_Stereo_Count	9
54740	Total_Formal_Charge	0
3413278	Defined_Atom_Stereo_Count	0
4649906	TPSA	26.8
4306436	Non-hydrogen_Atom_Count	22
5081	Covalent_Unit_Count	1
131801164	Mono_Isotopic_Weight	453.18346091
68740500	Isotope_Atom_Count	0
21917771	Rotatable_Bond_Count	0
12734569	Molecular_Weight	112.17
5361309	Non-hydrogen_Atom_Count	30
81325	Rotatable_Bond_Count	3
3277	Covalent_Unit_Count	1
3006315	Rotatable_Bond_Count	2
12962854	Defined_Bond_Stereo_Count	0
4292413	Molecular_Weight	271.44
4498	Molecular_Weight	129.16
5311498	Covalent_Unit_Count	3
156651923	Mono_Isotopic_Weight	114.068079557
4284720	Undefined_Atom_Stereo_Count	1
186148	TPSA	9.2
11332471	Mono_Isotopic_Weight	128.04489933
5360515	Total_Formal_Charge	0
46738768	Undefined_Bond_Stereo_Count	0
16051918	Tautomer_Count	2
57112474	Covalent_Unit_Count	1
12559164	TPSA	0
6918405	Rotatable_Bond_Count	9
11073348	Isotope_Atom_Count	0
136657690	Mono_Isotopic_Weight	218.05522346
51894	Non-hydrogen_Atom_Count	15
153254665	Molecular_Weight	111.18
23673461	Isotope_Atom_Count	0
17980829	Molecular_Weight	199.66
1276	Defined_Bond_Stereo_Count	0
135527764	Hydrogen_Bond_Acceptor_Count	4
9571080	Defined_Bond_Stereo_Count	1
25128834	XLogP3-AA	1.4
54890	Undefined_Bond_Stereo_Count	0
181976	Rotatable_Bond_Count	4
51605	Undefined_Atom_Stereo_Count	0
123223196	TPSA	29.5
6420019	Non-hydrogen_Atom_Count	21
32176	Isotope_Atom_Count	0
129905275	Hydrogen_Bond_Acceptor_Count	8
2724552	Undefined_Atom_Stereo_Count	0
453214	Isotope_Atom_Count	0
21635382	Exact_Mass	105.078978594
25059	TPSA	66.9
6437875	Undefined_Bond_Stereo_Count	0
3813	XLogP3-AA	2.8
141829	Exact_Mass	85.052763847
6875	Defined_Atom_Stereo_Count	0
121494058	Defined_Atom_Stereo_Count	4
86585	Undefined_Bond_Stereo_Count	1
5280933	Mono_Isotopic_Weight	278.224580195
164946793	Rotatable_Bond_Count	24
71432895	Hydrogen_Bond_Acceptor_Count	4
81827	Non-hydrogen_Atom_Count	8
25548	Hydrogen_Bond_Donor_Count	0
3818	Hydrogen_Bond_Donor_Count	3
83303	Exact_Mass	112.052429494
153834924	Molecular_Weight	98.10
14223	Undefined_Bond_Stereo_Count	0
6433266	Tautomer_Count	1
5883	Rotatable_Bond_Count	7
44299	Non-hydrogen_Atom_Count	30
11587639	Total_Formal_Charge	0
31508	Rotatable_Bond_Count	2
276123	Total_Formal_Charge	0
64934	Undefined_Atom_Stereo_Count	0
84647663	Molecular_Weight	112.13
57586319	Defined_Atom_Stereo_Count	0
5370325	Structure_Complexity	329
10047141	Rotatable_Bond_Count	5
11115983	Covalent_Unit_Count	1
6999987	Exact_Mass	102.104465066
581	Rotatable_Bond_Count	3
57586998	TPSA	48.9
71308755	Defined_Bond_Stereo_Count	5
166473353	Total_Formal_Charge	0
68870	Rotatable_Bond_Count	8
7156899	Exact_Mass	342.11621151
6918580	Undefined_Atom_Stereo_Count	2
71403949	Structure_Complexity	394
66733	Mono_Isotopic_Weight	217.05613515
145874935	Total_Formal_Charge	0
533933	TPSA	78.4
77533	Structure_Complexity	201
10217	Molecular_Weight	337.4
13586	Mono_Isotopic_Weight	70.041864811
442501	Tautomer_Count	1
638228	XLogP3-AA	3.6
10240766	Hydrogen_Bond_Donor_Count	0
875202	Non-hydrogen_Atom_Count	16
11656753	Hydrogen_Bond_Donor_Count	2
17118	TPSA	58
656685	TPSA	143
5188	Non-hydrogen_Atom_Count	29
14714336	Hydrogen_Bond_Acceptor_Count	1
91861230	Undefined_Bond_Stereo_Count	0
5394	Tautomer_Count	2
129681809	Structure_Complexity	225
10207842	Undefined_Atom_Stereo_Count	0
69601	Mono_Isotopic_Weight	116.062600255
89311	Undefined_Atom_Stereo_Count	1
13408099	TPSA	52.3
57760	Molecular_Weight	423.4
61918	Defined_Atom_Stereo_Count	0
5377022	Undefined_Bond_Stereo_Count	0
4471892	Non-hydrogen_Atom_Count	4
10702	Isotope_Atom_Count	0
26314	Total_Formal_Charge	0
15347676	Molecular_Weight	111.15
631837	Rotatable_Bond_Count	6
49170	Tautomer_Count	5
44330586	Mono_Isotopic_Weight	266.10150494
60196318	Hydrogen_Bond_Acceptor_Count	2
11288	Structure_Complexity	275
89582531	Hydrogen_Bond_Donor_Count	1
172296	XLogP3-AA	4.8
60752	Total_Formal_Charge	0
21054637	Defined_Bond_Stereo_Count	0
29498	Undefined_Bond_Stereo_Count	0
54122457	Rotatable_Bond_Count	2
10785752	Mono_Isotopic_Weight	376.15354051
52941568	Defined_Atom_Stereo_Count	0
5370664	Total_Formal_Charge	0
790	Defined_Bond_Stereo_Count	0
46861540	Mono_Isotopic_Weight	459.090805
670	Non-hydrogen_Atom_Count	6
24341	Non-hydrogen_Atom_Count	2
92763	Undefined_Atom_Stereo_Count	0
51200	Rotatable_Bond_Count	3
7648	Hydrogen_Bond_Acceptor_Count	6
49858374	Defined_Atom_Stereo_Count	0
15992306	Covalent_Unit_Count	1
636750	Hydrogen_Bond_Acceptor_Count	3
65836	Molecular_Weight	324.2
517985	Total_Formal_Charge	0
64369	Rotatable_Bond_Count	3
636362	Exact_Mass	533.1452592
3586	Total_Formal_Charge	0
73364	TPSA	84.5
8784	Isotope_Atom_Count	0
556998	Defined_Atom_Stereo_Count	0
2227	Rotatable_Bond_Count	5
20793238	Undefined_Atom_Stereo_Count	0
225703	Non-hydrogen_Atom_Count	18
87700	Undefined_Bond_Stereo_Count	0
13463348	Total_Formal_Charge	0
138113415	Hydrogen_Bond_Acceptor_Count	12
5326160	Structure_Complexity	27
6540478	Hydrogen_Bond_Acceptor_Count	4
56984356	Mono_Isotopic_Weight	102.031694049
439282	Covalent_Unit_Count	1
84954	Structure_Complexity	440
12502855	Total_Formal_Charge	0
13879722	Exact_Mass	102.031694049
12062378	TPSA	26
71443	Non-hydrogen_Atom_Count	13
644078	XLogP3-AA	14
3034372	Molecular_Weight	166.20
5377791	Tautomer_Count	1
12619120	Total_Formal_Charge	0
49787489	Exact_Mass	220.13757671
104741	TPSA	76.7
136219153	Molecular_Weight	394.9
60155274	XLogP3-AA	1.8
123555270	Covalent_Unit_Count	1
778	Structure_Complexity	86.1
27552	Defined_Atom_Stereo_Count	0
5280754	Rotatable_Bond_Count	15
12389	XLogP3	7.2
5366266	Covalent_Unit_Count	1
57927	Non-hydrogen_Atom_Count	22
20692458	Covalent_Unit_Count	1
5342	XLogP3	2.3
122108	Hydrogen_Bond_Donor_Count	7
43818	Molecular_Weight	320.9
17572160	Undefined_Atom_Stereo_Count	0
9019	Hydrogen_Bond_Donor_Count	0
15575641	Defined_Bond_Stereo_Count	0
20826383	Undefined_Bond_Stereo_Count	0
11865437	Mono_Isotopic_Weight	342.11621151
5352461	Hydrogen_Bond_Acceptor_Count	2
59768	Isotope_Atom_Count	0
12452564	Hydrogen_Bond_Acceptor_Count	1
64765	TPSA	4.2
7498	Structure_Complexity	55.4
62165	XLogP3-AA	7.7
19989310	Isotope_Atom_Count	0
263077	TPSA	25.3
1355	Rotatable_Bond_Count	1
72373	TPSA	86.9
8192	Hydrogen_Bond_Donor_Count	0
22385728	Hydrogen_Bond_Acceptor_Count	1
449087	Exact_Mass	291.137162174
3033867	Defined_Atom_Stereo_Count	4
40308	Tautomer_Count	1
23665730	Defined_Bond_Stereo_Count	1
573592	Mono_Isotopic_Weight	110.048012819
59252	Hydrogen_Bond_Acceptor_Count	3
2971	Molecular_Weight	322.4
161588	Total_Formal_Charge	0
23262349	Hydrogen_Bond_Acceptor_Count	1
64658	Structure_Complexity	387
253602	Total_Formal_Charge	0
139820	Undefined_Atom_Stereo_Count	1
131954786	Exact_Mass	3356.8220541
5353370	Defined_Atom_Stereo_Count	0
6450478	Isotope_Atom_Count	0
19788587	Total_Formal_Charge	0
118701016	Structure_Complexity	3150
103564347	Undefined_Bond_Stereo_Count	0
121489349	Mono_Isotopic_Weight	2011.8379101
77152	Exact_Mass	246.06922237
57425261	TPSA	50.2
15130827	Hydrogen_Bond_Acceptor_Count	2
5273569	TPSA	76
3015783	Molecular_Weight	558.83
87501539	Non-hydrogen_Atom_Count	8
67431	Undefined_Bond_Stereo_Count	0
89559	Defined_Atom_Stereo_Count	0
10394740	Structure_Complexity	1150
75258	Structure_Complexity	384
208832	Covalent_Unit_Count	1
69318	TPSA	35.8
2833	Exact_Mass	399.16818752
21698825	Defined_Atom_Stereo_Count	0
23355	Defined_Atom_Stereo_Count	0
4829	Mono_Isotopic_Weight	356.11946368
4692	Molecular_Weight	248.32
119057560	Rotatable_Bond_Count	7
65281	Rotatable_Bond_Count	31
12202794	Non-hydrogen_Atom_Count	8
6605	Hydrogen_Bond_Acceptor_Count	5
306049	Exact_Mass	222.0811428
6433556	Rotatable_Bond_Count	17
517321	Molecular_Weight	330.8
163050674	Undefined_Bond_Stereo_Count	0
657180	Undefined_Bond_Stereo_Count	0
17564	Exact_Mass	263.188529040
533854	Rotatable_Bond_Count	3
4980	Defined_Bond_Stereo_Count	0
534959	Mono_Isotopic_Weight	98.073164938
5328	Defined_Atom_Stereo_Count	0
40703	TPSA	36.9
9954539	Covalent_Unit_Count	2
54575456	Covalent_Unit_Count	1
123934238	Molecular_Weight	114.14
12978170	Exact_Mass	96.093900383
4175	Isotope_Atom_Count	0
445395	Hydrogen_Bond_Acceptor_Count	11
20728717	Defined_Bond_Stereo_Count	0
14500	Defined_Atom_Stereo_Count	0
575408	Isotope_Atom_Count	0
135398740	Isotope_Atom_Count	0
73584	Mono_Isotopic_Weight	307.15320616
201538	Tautomer_Count	1
3462	Hydrogen_Bond_Donor_Count	2
501728	TPSA	235
68137	Structure_Complexity	202
61080	Defined_Bond_Stereo_Count	0
102201652	Rotatable_Bond_Count	19
19782729	XLogP3-AA	0.4
68374679	Structure_Complexity	126
448285	Exact_Mass	359.1070404
26945	Rotatable_Bond_Count	8
53702849	Total_Formal_Charge	0
104775	Isotope_Atom_Count	0
8946	Undefined_Bond_Stereo_Count	0
54384029	Rotatable_Bond_Count	0
4884	Exact_Mass	137.071487915
78358496	Hydrogen_Bond_Acceptor_Count	11
689739	Hydrogen_Bond_Acceptor_Count	2
31068	Undefined_Atom_Stereo_Count	1
16129710	Hydrogen_Bond_Donor_Count	24
115237	Undefined_Bond_Stereo_Count	0
54692950	Covalent_Unit_Count	1
3000469	Undefined_Bond_Stereo_Count	0
18430686	Isotope_Atom_Count	0
21787	Defined_Atom_Stereo_Count	0
14036559	Molecular_Weight	440.7
80642	Undefined_Atom_Stereo_Count	0
83287	Structure_Complexity	165
79337	Non-hydrogen_Atom_Count	16
14968895	Hydrogen_Bond_Acceptor_Count	1
3968000	XLogP3-AA	5.1
80790	Exact_Mass	164.120115130
71622385	Defined_Atom_Stereo_Count	0
129318280	Hydrogen_Bond_Acceptor_Count	5
54793	Hydrogen_Bond_Donor_Count	0
14324660	Defined_Atom_Stereo_Count	0
22154890	XLogP3-AA	2.3
14823	Undefined_Bond_Stereo_Count	0
51063134	TPSA	102
5521	Total_Formal_Charge	0
320	Undefined_Bond_Stereo_Count	0
7735	Molecular_Weight	144.21
46780441	Hydrogen_Bond_Acceptor_Count	6
59058905	Molecular_Weight	112.09
46212	Total_Formal_Charge	0
445576	TPSA	54.4
103002	Defined_Atom_Stereo_Count	0
77531	TPSA	25.8
5324278	Defined_Atom_Stereo_Count	0
5281004	TPSA	93.1
30924	Defined_Bond_Stereo_Count	0
72187524	Undefined_Bond_Stereo_Count	0
466151	Total_Formal_Charge	0
7397	Structure_Complexity	209
59757974	Defined_Atom_Stereo_Count	0
78297	TPSA	115
162883447	Defined_Bond_Stereo_Count	0
21343371	Molecular_Weight	84.12
4989215	Defined_Atom_Stereo_Count	0
10996979	Covalent_Unit_Count	1
20378083	Structure_Complexity	98.6
6918242	Hydrogen_Bond_Acceptor_Count	9
6436059	Defined_Bond_Stereo_Count	2
44395101	Mono_Isotopic_Weight	480.21614077
140181	Molecular_Weight	94.15
10003	Mono_Isotopic_Weight	128.04489933
20861	Molecular_Weight	134.17
11335094	Undefined_Bond_Stereo_Count	0
33196	Hydrogen_Bond_Acceptor_Count	3
9861	Defined_Bond_Stereo_Count	0
667468	XLogP3	4.3
13311642	Mono_Isotopic_Weight	102.068079557
54023308	Undefined_Atom_Stereo_Count	0
180624	Total_Formal_Charge	0
20782671	Undefined_Atom_Stereo_Count	0
413518	Defined_Atom_Stereo_Count	0
688091	Molecular_Weight	214.24
15559317	Exact_Mass	842.51400504
16667700	Covalent_Unit_Count	2
72221005	Undefined_Atom_Stereo_Count	1
158726884	Rotatable_Bond_Count	0
90202	Undefined_Bond_Stereo_Count	0
21867279	Defined_Bond_Stereo_Count	0
643976	Covalent_Unit_Count	1
21594228	Non-hydrogen_Atom_Count	38
9793926	Mono_Isotopic_Weight	166.082333429
132305	Exact_Mass	375.16818752
8052	Molecular_Weight	116.16
521759	Non-hydrogen_Atom_Count	7
13037814	Total_Formal_Charge	0
10772	Defined_Atom_Stereo_Count	0
70198	Hydrogen_Bond_Acceptor_Count	1
83949	Structure_Complexity	1210
11516136	TPSA	64.6
249494	Isotope_Atom_Count	0
1718	Hydrogen_Bond_Acceptor_Count	4
102334657	XLogP3-AA	4
25167777	TPSA	115
4271571	Undefined_Bond_Stereo_Count	0
72765870	Rotatable_Bond_Count	1
8612	Total_Formal_Charge	0
22269415	Exact_Mass	99.068413911
36588	Non-hydrogen_Atom_Count	10
47936	Undefined_Bond_Stereo_Count	0
543587	Rotatable_Bond_Count	12
23571381	Undefined_Bond_Stereo_Count	0
5228468	Tautomer_Count	1
21608018	Total_Formal_Charge	0
13166770	Non-hydrogen_Atom_Count	8
74002265	Hydrogen_Bond_Donor_Count	0
6866	Defined_Bond_Stereo_Count	0
27375	XLogP3	2.4
13034936	Tautomer_Count	1
20259182	Total_Formal_Charge	0
88235	Exact_Mass	311.0149699
3096300	Total_Formal_Charge	0
12377442	Undefined_Atom_Stereo_Count	1
55105	Defined_Atom_Stereo_Count	0
24479	Structure_Complexity	2.8
25015691	Molecular_Weight	504.6
82513	Defined_Atom_Stereo_Count	0
5281800	Covalent_Unit_Count	1
6479523	TPSA	173
57433782	Defined_Bond_Stereo_Count	0
18541897	XLogP3-AA	0.8
24214097	Rotatable_Bond_Count	4
62232962	TPSA	26.3
42609805	Undefined_Atom_Stereo_Count	0
28961	Covalent_Unit_Count	1
20325315	Total_Formal_Charge	0
91908	Defined_Bond_Stereo_Count	0
11985	Hydrogen_Bond_Donor_Count	2
17755	Molecular_Weight	102.13
73005	Total_Formal_Charge	0
22174643	Structure_Complexity	57.1
229075	Mono_Isotopic_Weight	110.059246208
64032	Exact_Mass	332.0806812
44183569	Rotatable_Bond_Count	6
22160828	Molecular_Weight	84.12
112446	Hydrogen_Bond_Donor_Count	0
616236	XLogP3-AA	2.3
27879	Exact_Mass	303.14705815
58247571	Covalent_Unit_Count	1
7716	TPSA	0
1883	Defined_Bond_Stereo_Count	0
711468	Non-hydrogen_Atom_Count	17
15287	TPSA	29.5
522417	Rotatable_Bond_Count	5
3946663	Non-hydrogen_Atom_Count	29
22041940	Hydrogen_Bond_Donor_Count	2
88100859	Hydrogen_Bond_Acceptor_Count	5
100641	Hydrogen_Bond_Acceptor_Count	6
76985	Hydrogen_Bond_Acceptor_Count	2
135539121	Non-hydrogen_Atom_Count	36
68987	Defined_Atom_Stereo_Count	0
44565798	Non-hydrogen_Atom_Count	23
44455701	XLogP3-AA	3.8
12444627	Defined_Bond_Stereo_Count	1
79484	Structure_Complexity	171
10340798	Isotope_Atom_Count	0
21674229	Molecular_Weight	654.8
155907178	Hydrogen_Bond_Acceptor_Count	4
88323	Covalent_Unit_Count	1
94043	TPSA	106
4110039	Non-hydrogen_Atom_Count	8
59907918	Isotope_Atom_Count	0
3073763	Non-hydrogen_Atom_Count	14
73343	Mono_Isotopic_Weight	164.04419074
6343	TPSA	1
544627	Defined_Atom_Stereo_Count	0
63134	Isotope_Atom_Count	0
24183437	Hydrogen_Bond_Donor_Count	4
976	Undefined_Bond_Stereo_Count	0
68787	Total_Formal_Charge	0
8225	Undefined_Bond_Stereo_Count	0
720674	Mono_Isotopic_Weight	210.115698455
7729	Hydrogen_Bond_Donor_Count	1
20690429	Molecular_Weight	469.6
101743775	Hydrogen_Bond_Donor_Count	2
126290	Molecular_Weight	510.7
147594753	Covalent_Unit_Count	1
2922	Molecular_Weight	523.6
53361968	Undefined_Bond_Stereo_Count	0
2578	Undefined_Bond_Stereo_Count	0
11908450	Non-hydrogen_Atom_Count	23
54587227	Isotope_Atom_Count	0
77290	TPSA	52.6
436482	Molecular_Weight	193.28
44123456	Defined_Bond_Stereo_Count	0
58143010	TPSA	43.4
57112474	Undefined_Atom_Stereo_Count	1
2042	Isotope_Atom_Count	0
20165534	Covalent_Unit_Count	1
66071945	Hydrogen_Bond_Acceptor_Count	2
44377662	Non-hydrogen_Atom_Count	115
68840	Undefined_Atom_Stereo_Count	0
830	Non-hydrogen_Atom_Count	12
10785	Defined_Atom_Stereo_Count	0
529264	TPSA	29.5
5501	Rotatable_Bond_Count	4
53480934	Hydrogen_Bond_Acceptor_Count	8
1201479	Isotope_Atom_Count	0
8580	Total_Formal_Charge	0
533866	Undefined_Atom_Stereo_Count	0
133562676	XLogP3-AA	4.1
159283	Undefined_Atom_Stereo_Count	0
121494046	Rotatable_Bond_Count	1
44475367	Undefined_Bond_Stereo_Count	0
6477182	Molecular_Weight	396.4
9217	Rotatable_Bond_Count	0
44909	Hydrogen_Bond_Donor_Count	1
115237	Defined_Atom_Stereo_Count	0
16843	Defined_Atom_Stereo_Count	0
11309506	Mono_Isotopic_Weight	86.084398327
554	Isotope_Atom_Count	0
44588235	Undefined_Atom_Stereo_Count	0
2763078	Rotatable_Bond_Count	1
71459166	Undefined_Atom_Stereo_Count	1
11023	Structure_Complexity	211
44201343	Hydrogen_Bond_Donor_Count	106
21553255	Structure_Complexity	76.2
74574	Molecular_Weight	310.21
3833001	Structure_Complexity	240
20884	Tautomer_Count	1
91465979	Isotope_Atom_Count	0
66316	Structure_Complexity	260
9953	TPSA	83.6
74245	Covalent_Unit_Count	1
23591662	Total_Formal_Charge	0
128682	Exact_Mass	315.173547683
23708	Rotatable_Bond_Count	12
6507255	Defined_Atom_Stereo_Count	1
61850	Total_Formal_Charge	0
31923	Molecular_Weight	341.5
159220	Mono_Isotopic_Weight	229.1233420
43082	Molecular_Weight	357.9
44454985	Non-hydrogen_Atom_Count	30
13792373	Hydrogen_Bond_Acceptor_Count	2
69020	Undefined_Atom_Stereo_Count	0
5364079	Rotatable_Bond_Count	3
10390836	Defined_Atom_Stereo_Count	0
6150	Structure_Complexity	465
136703	Molecular_Weight	114.10
277	Mono_Isotopic_Weight	61.016378338
66540	Exact_Mass	334.21440943
86289378	Isotope_Atom_Count	0
59903796	Total_Formal_Charge	0
11271730	Total_Formal_Charge	0
102182857	Defined_Atom_Stereo_Count	0
161830	Defined_Bond_Stereo_Count	0
23672302	Total_Formal_Charge	0
54582078	Rotatable_Bond_Count	5
168871	Molecular_Weight	563.7
66102	Hydrogen_Bond_Acceptor_Count	4
45375806	Isotope_Atom_Count	0
135829641	Mono_Isotopic_Weight	96.068748264
19092	Isotope_Atom_Count	0
49838879	Hydrogen_Bond_Acceptor_Count	7
3965	Undefined_Atom_Stereo_Count	2
171409	Rotatable_Bond_Count	15
95479940	Total_Formal_Charge	0
5233032	Hydrogen_Bond_Acceptor_Count	0
6538985	Undefined_Bond_Stereo_Count	0
65404	Rotatable_Bond_Count	7
49866693	Covalent_Unit_Count	1
668624	Total_Formal_Charge	0
3202	Undefined_Bond_Stereo_Count	0
71835	Isotope_Atom_Count	0
6456	Molecular_Weight	278.8
27423	Hydrogen_Bond_Donor_Count	0
12672	Undefined_Bond_Stereo_Count	0
77687	Covalent_Unit_Count	1
839611	Molecular_Weight	313.35
3032576	Non-hydrogen_Atom_Count	24
142383	Rotatable_Bond_Count	1
80065	TPSA	78.9
54391876	Defined_Bond_Stereo_Count	0
6713988	Hydrogen_Bond_Donor_Count	4
8722	Undefined_Bond_Stereo_Count	0
82095	Rotatable_Bond_Count	0
24466	Non-hydrogen_Atom_Count	17
24901143	Isotope_Atom_Count	0
317677	Covalent_Unit_Count	1
347477	XLogP3-AA	0.9
232080	Hydrogen_Bond_Donor_Count	1
13010228	Molecular_Weight	98.10
44152363	Exact_Mass	459.26342531
3572	Covalent_Unit_Count	1
65432	Defined_Bond_Stereo_Count	0
56631355	TPSA	40.5
85828788	Undefined_Atom_Stereo_Count	0
17956339	Rotatable_Bond_Count	4
143034	Hydrogen_Bond_Donor_Count	0
66829	Mono_Isotopic_Weight	162.02854067
5356697	Defined_Bond_Stereo_Count	1
9963430	Hydrogen_Bond_Donor_Count	4
78145	Non-hydrogen_Atom_Count	10
45344	Structure_Complexity	263
65979	Hydrogen_Bond_Donor_Count	2
16760153	TPSA	43.4
6923346	XLogP3	1.7
27744	Molecular_Weight	451.9
54084075	Defined_Bond_Stereo_Count	0
18218196	Defined_Bond_Stereo_Count	0
5310967	Non-hydrogen_Atom_Count	12
57782	Hydrogen_Bond_Acceptor_Count	4
23672329	Isotope_Atom_Count	0
59446219	Hydrogen_Bond_Donor_Count	7
90771306	Undefined_Bond_Stereo_Count	0
10526	Mono_Isotopic_Weight	398.20932405
27993	TPSA	89
9911830	Mono_Isotopic_Weight	454.1043974
1481	Rotatable_Bond_Count	10
177085	Defined_Atom_Stereo_Count	0
12551763	Isotope_Atom_Count	0
19539	XLogP3	3.9
6051	Non-hydrogen_Atom_Count	15
8446	Exact_Mass	149.02992040
138961	Covalent_Unit_Count	1
20590622	Undefined_Bond_Stereo_Count	0
46871497	Defined_Atom_Stereo_Count	0
246	Hydrogen_Bond_Acceptor_Count	5
779179	Non-hydrogen_Atom_Count	25
72424	Rotatable_Bond_Count	20
136898365	Isotope_Atom_Count	1
127527	Isotope_Atom_Count	0
8310	Isotope_Atom_Count	0
40549	Rotatable_Bond_Count	0
135419182	Mono_Isotopic_Weight	538.01413629
83045	Tautomer_Count	1
91176619	Hydrogen_Bond_Donor_Count	0
4961971	Structure_Complexity	62.7
65872	Tautomer_Count	2
21227	XLogP3-AA	1.2
5312108	Defined_Bond_Stereo_Count	0
1466	Covalent_Unit_Count	1
3474	Defined_Atom_Stereo_Count	0
54739	Tautomer_Count	3
45791267	Hydrogen_Bond_Acceptor_Count	3
103564347	Undefined_Atom_Stereo_Count	0
636364	Exact_Mass	549.23159287
6917779	Molecular_Weight	246.35
68078	Hydrogen_Bond_Acceptor_Count	2
630355	Undefined_Atom_Stereo_Count	0
112	Hydrogen_Bond_Donor_Count	3
55287849	Non-hydrogen_Atom_Count	7
10772947	Total_Formal_Charge	0
19873782	Hydrogen_Bond_Donor_Count	1
12492	Rotatable_Bond_Count	3
12695798	Molecular_Weight	113.20
201990	TPSA	28.7
43006	Defined_Bond_Stereo_Count	0
86811257	TPSA	37.3
123744867	Non-hydrogen_Atom_Count	7
11851	Mono_Isotopic_Weight	178.04773803
661093	Structure_Complexity	361
4369536	XLogP3-AA	3.4
21718278	Mono_Isotopic_Weight	111.079647300
543565	Rotatable_Bond_Count	3
920954	Isotope_Atom_Count	0
7758	Defined_Atom_Stereo_Count	0
444030	Undefined_Atom_Stereo_Count	0
53346602	Rotatable_Bond_Count	2
13758358	Defined_Bond_Stereo_Count	0
18542107	Isotope_Atom_Count	0
7398	Isotope_Atom_Count	0
11862	Covalent_Unit_Count	1
11389423	Mono_Isotopic_Weight	138.140850574
13196775	Undefined_Bond_Stereo_Count	0
7201	Defined_Bond_Stereo_Count	0
11326715	Total_Formal_Charge	0
7350	Total_Formal_Charge	0
137295261	Covalent_Unit_Count	1
101626738	Defined_Atom_Stereo_Count	6
81278	Hydrogen_Bond_Acceptor_Count	1
21903911	Non-hydrogen_Atom_Count	7
6436870	Molecular_Weight	393.5
928	Total_Formal_Charge	0
84152	Mono_Isotopic_Weight	132.078644241
14789	Non-hydrogen_Atom_Count	7
67634	TPSA	17.1
19601937	Defined_Bond_Stereo_Count	0
2939	Molecular_Weight	464.15
44556162	Hydrogen_Bond_Acceptor_Count	11
62580	Covalent_Unit_Count	1
135565106	Hydrogen_Bond_Donor_Count	2
5922	Molecular_Weight	123.11
5376979	Non-hydrogen_Atom_Count	18
996	Structure_Complexity	46.1
5324108	Defined_Bond_Stereo_Count	0
10126081	Undefined_Atom_Stereo_Count	0
60976	Undefined_Bond_Stereo_Count	0
5459124	Hydrogen_Bond_Donor_Count	1
22055193	Total_Formal_Charge	0
12229396	Isotope_Atom_Count	0
21255491	Defined_Atom_Stereo_Count	0
4595	Hydrogen_Bond_Donor_Count	0
83656	Non-hydrogen_Atom_Count	23
9236	Isotope_Atom_Count	0
88191	Total_Formal_Charge	0
77445309	Hydrogen_Bond_Donor_Count	1
118216	Defined_Bond_Stereo_Count	0
11610599	Defined_Bond_Stereo_Count	0
108092	Rotatable_Bond_Count	8
220175	Non-hydrogen_Atom_Count	14
91435	TPSA	60.4
11616111	TPSA	99
10736576	Isotope_Atom_Count	0
14168316	Undefined_Bond_Stereo_Count	0
123840	Molecular_Weight	360.9
20084	Tautomer_Count	2
22830	TPSA	63.4
416793	Undefined_Atom_Stereo_Count	0
1281	Isotope_Atom_Count	0
9570327	Covalent_Unit_Count	1
23667546	Covalent_Unit_Count	2
66248	Exact_Mass	354.20691876
8417	TPSA	44.8
98527	XLogP3	2.1
49837892	Total_Formal_Charge	0
25094462	Structure_Complexity	913
11308	Exact_Mass	212.06847348
23661981	Defined_Atom_Stereo_Count	0
12190	Molecular_Weight	120.15
6992039	Hydrogen_Bond_Donor_Count	3
6604472	Structure_Complexity	375
1792	Undefined_Atom_Stereo_Count	0
76225552	Hydrogen_Bond_Acceptor_Count	2
6436158	Undefined_Bond_Stereo_Count	0
6323336	Undefined_Atom_Stereo_Count	0
21637995	Undefined_Bond_Stereo_Count	0
122198135	Total_Formal_Charge	0
16131448	Isotope_Atom_Count	0
22225900	Defined_Atom_Stereo_Count	0
2096	Hydrogen_Bond_Donor_Count	1
5482	Defined_Atom_Stereo_Count	0
5282318	Hydrogen_Bond_Donor_Count	2
1397	Exact_Mass	658.55362546
12102501	Molecular_Weight	112.13
3045335	Mono_Isotopic_Weight	492.2391000
6100671	Exact_Mass	326.199428076
52568	Total_Formal_Charge	0
9576412	Undefined_Atom_Stereo_Count	0
557678	Total_Formal_Charge	0
38252	Tautomer_Count	1
72370	Undefined_Bond_Stereo_Count	0
5366244	Mono_Isotopic_Weight	296.307915895
21608018	Isotope_Atom_Count	0
9881504	Molecular_Weight	254.28
78224604	Total_Formal_Charge	1
25418	Exact_Mass	88.063662883
71308903	XLogP3	2.1
9500	Isotope_Atom_Count	0
4376	Isotope_Atom_Count	0
6954	Hydrogen_Bond_Acceptor_Count	7
518455	Exact_Mass	113.07014524
57328385	Exact_Mass	407.08816112
71464685	Molecular_Weight	478.5
10953450	Rotatable_Bond_Count	2
12668	Undefined_Bond_Stereo_Count	3
20216719	Undefined_Bond_Stereo_Count	0
20390093	Hydrogen_Bond_Donor_Count	0
11248738	Structure_Complexity	870
4237	Rotatable_Bond_Count	6
11651149	Structure_Complexity	45.6
456222	Hydrogen_Bond_Acceptor_Count	4
81577	TPSA	45.8
6440940	Non-hydrogen_Atom_Count	17
11249084	Hydrogen_Bond_Acceptor_Count	5
4220190	Non-hydrogen_Atom_Count	8
2186	Undefined_Atom_Stereo_Count	0
3047855	TPSA	295
439176	Structure_Complexity	352
22643188	Total_Formal_Charge	0
87663190	Undefined_Bond_Stereo_Count	0
80511	Defined_Atom_Stereo_Count	0
97105	Total_Formal_Charge	0
154655788	Defined_Atom_Stereo_Count	0
15267570	Hydrogen_Bond_Acceptor_Count	4
584667	XLogP3-AA	3.9
8711	Covalent_Unit_Count	1
31005	Hydrogen_Bond_Acceptor_Count	2
5310979	TPSA	138
52943718	Mono_Isotopic_Weight	404.0873882
79680	Non-hydrogen_Atom_Count	7
11601669	Total_Formal_Charge	0
24180719	Structure_Complexity	648
3590	Hydrogen_Bond_Acceptor_Count	2
19928662	Hydrogen_Bond_Donor_Count	1
4471892	Hydrogen_Bond_Donor_Count	2
5318385	Defined_Atom_Stereo_Count	2
16683101	Isotope_Atom_Count	0
25129043	Structure_Complexity	829
439182	Molecular_Weight	251.24
6918485	Covalent_Unit_Count	1
57286318	TPSA	45.4
139595999	Undefined_Atom_Stereo_Count	3
21473742	XLogP3-AA	0.6
143321	TPSA	0
3264839	Defined_Atom_Stereo_Count	0
3862645	Molecular_Weight	271.38
165754425	Covalent_Unit_Count	1
27567	Total_Formal_Charge	0
44195064	Structure_Complexity	213
219093	Exact_Mass	353.0367680
6160	Mono_Isotopic_Weight	289.18419255
463694	Hydrogen_Bond_Acceptor_Count	4
155804760	Defined_Atom_Stereo_Count	0
131059	Defined_Atom_Stereo_Count	0
24946103	Hydrogen_Bond_Donor_Count	2
439213	TPSA	116
135423771	Rotatable_Bond_Count	2
7454	Undefined_Bond_Stereo_Count	0
64232	Defined_Bond_Stereo_Count	0
5282544	Covalent_Unit_Count	1
63049	Isotope_Atom_Count	0
26762	Molecular_Weight	229.32
117938207	Isotope_Atom_Count	0
17753912	TPSA	0
4937	Exact_Mass	229.1094232
87412180	Molecular_Weight	284.35
55062	Rotatable_Bond_Count	3
9627	Rotatable_Bond_Count	0
15308711	TPSA	220
69413	Non-hydrogen_Atom_Count	7
12201381	Defined_Bond_Stereo_Count	0
103609	Molecular_Weight	167.25
520546	XLogP3-AA	0.7
65836	Defined_Bond_Stereo_Count	0
40474	Exact_Mass	393.802494
25875	Total_Formal_Charge	0
439530	Undefined_Bond_Stereo_Count	0
24176	Covalent_Unit_Count	1
54688683	Undefined_Atom_Stereo_Count	0
60044711	Non-hydrogen_Atom_Count	8
130990	Structure_Complexity	1150
11937	Total_Formal_Charge	0
208925	Hydrogen_Bond_Donor_Count	1
84253	Undefined_Atom_Stereo_Count	0
5154	TPSA	40.8
11366953	Total_Formal_Charge	0
129662986	Defined_Bond_Stereo_Count	0
21852	Rotatable_Bond_Count	2
8012	Hydrogen_Bond_Acceptor_Count	1
61867	Molecular_Weight	256.17
60714	Rotatable_Bond_Count	5
54586718	Isotope_Atom_Count	0
6559236	Rotatable_Bond_Count	3
5360621	Tautomer_Count	2
4026	Covalent_Unit_Count	1
20390093	TPSA	48.2
9299	Isotope_Atom_Count	0
14116454	Mono_Isotopic_Weight	98.036779430
60196320	Exact_Mass	259.1339066
98017	TPSA	55.8
15184917	Hydrogen_Bond_Donor_Count	1
196	Mono_Isotopic_Weight	146.05790880
88670	Non-hydrogen_Atom_Count	13
5364579	Exact_Mass	98.073164938
10415	XLogP3-AA	2.8
75564	Undefined_Atom_Stereo_Count	0
5318	Non-hydrogen_Atom_Count	24
54587596	Rotatable_Bond_Count	9
22643208	Exact_Mass	456.1265505
54548956	Defined_Bond_Stereo_Count	0
1804	Hydrogen_Bond_Donor_Count	1
12395	Total_Formal_Charge	0
22221739	Defined_Atom_Stereo_Count	0
2063	Defined_Bond_Stereo_Count	0
5281232	Hydrogen_Bond_Donor_Count	2
20725561	Molecular_Weight	401.5
135749823	TPSA	250
448925	Hydrogen_Bond_Donor_Count	8
44123551	Hydrogen_Bond_Acceptor_Count	6
73648	Rotatable_Bond_Count	6
98231	Non-hydrogen_Atom_Count	9
177870	Undefined_Bond_Stereo_Count	0
9388	TPSA	42.5
63093	Isotope_Atom_Count	0
64647	Total_Formal_Charge	0
146681110	Molecular_Weight	1022.2
68323	Undefined_Bond_Stereo_Count	0
69158	Structure_Complexity	346
111727	Structure_Complexity	183
9800555	Isotope_Atom_Count	0
104181	Hydrogen_Bond_Donor_Count	1
278580	Molecular_Weight	116.11
2062246	Non-hydrogen_Atom_Count	21
53183	Rotatable_Bond_Count	6
12285822	Undefined_Bond_Stereo_Count	0
7057995	Covalent_Unit_Count	1
54586718	Defined_Bond_Stereo_Count	0
65573725	Non-hydrogen_Atom_Count	7
5011	Isotope_Atom_Count	0
8561	Isotope_Atom_Count	0
57486971	Undefined_Atom_Stereo_Count	0
45120354	Molecular_Weight	114.14
10189783	Undefined_Bond_Stereo_Count	0
65700	Undefined_Atom_Stereo_Count	1
13524524	Isotope_Atom_Count	0
54025111	Structure_Complexity	92
151726	Tautomer_Count	16
10553	Molecular_Weight	70.13
57023262	Defined_Bond_Stereo_Count	0
50990560	TPSA	195
137553932	Undefined_Atom_Stereo_Count	0
12243027	Exact_Mass	100.063662883
20055121	TPSA	190
15564	Molecular_Weight	242.3
13342	Hydrogen_Bond_Acceptor_Count	12
13299177	Hydrogen_Bond_Donor_Count	0
87595695	Molecular_Weight	100.16
22386380	Molecular_Weight	121.10
21584661	Defined_Bond_Stereo_Count	0
75842	XLogP3-AA	2.5
2724032	Undefined_Atom_Stereo_Count	1
123924	TPSA	36
62299	Defined_Atom_Stereo_Count	0
129905275	Hydrogen_Bond_Donor_Count	4
4376677	Total_Formal_Charge	0
3082052	Undefined_Bond_Stereo_Count	0
46274	Defined_Atom_Stereo_Count	0
10654192	TPSA	33.4
5326976	Hydrogen_Bond_Donor_Count	1
64247	Isotope_Atom_Count	0
12317612	Mono_Isotopic_Weight	112.052429494
31355	Structure_Complexity	201
53846427	Covalent_Unit_Count	1
82418990	Total_Formal_Charge	0
441348	Undefined_Atom_Stereo_Count	0
14116047	Total_Formal_Charge	0
66827369	Structure_Complexity	72.2
25077405	Mono_Isotopic_Weight	1321.63562577
21397222	Undefined_Atom_Stereo_Count	1
75005	Hydrogen_Bond_Donor_Count	0
4279	Undefined_Bond_Stereo_Count	0
20551532	Structure_Complexity	89.7
68638786	Total_Formal_Charge	0
141379122	Total_Formal_Charge	0
23620992	TPSA	417
16844	Exact_Mass	149.0607417
216262	Molecular_Weight	399.5
107970	Undefined_Atom_Stereo_Count	0
19966	Exact_Mass	84.093900383
22078	Defined_Bond_Stereo_Count	0
62274	Covalent_Unit_Count	1
18952325	TPSA	38.4
62774675	Rotatable_Bond_Count	3
9483	Defined_Atom_Stereo_Count	0
8560	Undefined_Bond_Stereo_Count	0
20680013	TPSA	9.2
16124688	Mono_Isotopic_Weight	376.10347683
5284592	XLogP3-AA	6.4
12672	Undefined_Atom_Stereo_Count	0
3973230	Defined_Bond_Stereo_Count	0
9549904	Defined_Atom_Stereo_Count	3
45116617	Mono_Isotopic_Weight	101.084063974
129652979	Isotope_Atom_Count	0
6240	Covalent_Unit_Count	2
5357349	Exact_Mass	101.084063974
410615	Isotope_Atom_Count	0
123840	Isotope_Atom_Count	0
146821604	Molecular_Weight	100.16
39356	Defined_Bond_Stereo_Count	0
91089723	Total_Formal_Charge	0
21932803	Mono_Isotopic_Weight	121.03884512
87321867	Undefined_Atom_Stereo_Count	0
129865974	Rotatable_Bond_Count	22
61184	Molecular_Weight	130.18
9520	Non-hydrogen_Atom_Count	10
71094775	Non-hydrogen_Atom_Count	23
54568416	Covalent_Unit_Count	1
6712744	Hydrogen_Bond_Acceptor_Count	6
66684	Hydrogen_Bond_Acceptor_Count	6
101248703	Hydrogen_Bond_Donor_Count	3
23676735	Defined_Atom_Stereo_Count	0
3367	Undefined_Atom_Stereo_Count	4
2723766	Molecular_Weight	164.16
85299214	Defined_Bond_Stereo_Count	0
6433396	Hydrogen_Bond_Acceptor_Count	4
7422	Molecular_Weight	137.14
21519427	Non-hydrogen_Atom_Count	8
2762895	Exact_Mass	110.048012819
118161592	Molecular_Weight	110.15
8107	Undefined_Bond_Stereo_Count	0
83966	Molecular_Weight	331.32
73755261	Undefined_Atom_Stereo_Count	1
2448	Total_Formal_Charge	0
33068	Tautomer_Count	3
6618	Exact_Mass	543.75298
45480603	Undefined_Bond_Stereo_Count	0
27909	Rotatable_Bond_Count	1
56613357	Rotatable_Bond_Count	0
58028426	Exact_Mass	112.027277375
4011	Defined_Bond_Stereo_Count	0
2808	Structure_Complexity	551
65013	Mono_Isotopic_Weight	302.16304257
31593	Defined_Bond_Stereo_Count	0
57394021	Non-hydrogen_Atom_Count	32
9841596	Undefined_Bond_Stereo_Count	0
16070039	Non-hydrogen_Atom_Count	29
72307	Undefined_Atom_Stereo_Count	0
85983	Total_Formal_Charge	0
11544170	TPSA	66
4630913	Structure_Complexity	542
23688987	Tautomer_Count	1
6439276	Hydrogen_Bond_Acceptor_Count	12
135421876	Mono_Isotopic_Weight	137.03375974
21236	Undefined_Atom_Stereo_Count	0
1219	Exact_Mass	247.193614421
3811882	XLogP3-AA	0.9
83815	Rotatable_Bond_Count	2
108835	Rotatable_Bond_Count	3
9160	Rotatable_Bond_Count	0
74904	Hydrogen_Bond_Acceptor_Count	2
448051	Molecular_Weight	290.21
31982	XLogP3-AA	2
5319879	Exact_Mass	356.29265975
4451	Undefined_Atom_Stereo_Count	5
153812233	Defined_Bond_Stereo_Count	0
25142309	Hydrogen_Bond_Acceptor_Count	4
8757	Defined_Bond_Stereo_Count	0
17754007	Undefined_Bond_Stereo_Count	0
5287703	Covalent_Unit_Count	1
7999	Molecular_Weight	288.70
89200515	Defined_Atom_Stereo_Count	3
71401	Hydrogen_Bond_Acceptor_Count	1
22624677	Mono_Isotopic_Weight	179.094628657
6602378	Structure_Complexity	686
157010058	Defined_Bond_Stereo_Count	0
55253668	Undefined_Atom_Stereo_Count	0
25203188	Rotatable_Bond_Count	6
139670117	Undefined_Bond_Stereo_Count	0
89843393	Isotope_Atom_Count	0
180494	Rotatable_Bond_Count	2
69932654	Hydrogen_Bond_Acceptor_Count	3
21809017	Covalent_Unit_Count	1
5380976	Non-hydrogen_Atom_Count	19
31635	Undefined_Bond_Stereo_Count	0
590907	XLogP3-AA	4.5
85904477	Total_Formal_Charge	0
1040	Hydrogen_Bond_Acceptor_Count	8
226057	Undefined_Bond_Stereo_Count	0
36457	Structure_Complexity	274
13196775	Undefined_Atom_Stereo_Count	0
114869	TPSA	90.4
138611145	Defined_Bond_Stereo_Count	0
54316592	Hydrogen_Bond_Acceptor_Count	1
72728690	Total_Formal_Charge	0
40945	Hydrogen_Bond_Donor_Count	0
29761	Defined_Atom_Stereo_Count	0
10820489	Hydrogen_Bond_Donor_Count	1
8629	Structure_Complexity	964
3034048	Molecular_Weight	325.5
2762895	Non-hydrogen_Atom_Count	8
329	Hydrogen_Bond_Donor_Count	4
71312582	Isotope_Atom_Count	62
87321867	Defined_Atom_Stereo_Count	0
57656641	Non-hydrogen_Atom_Count	27
169969	Molecular_Weight	68.08
194791	Non-hydrogen_Atom_Count	55
6562	Isotope_Atom_Count	0
131430882	Covalent_Unit_Count	1
135398645	Undefined_Bond_Stereo_Count	0
5310967	XLogP3	1.1
123452974	Isotope_Atom_Count	0
8663	XLogP3	2.7
91302105	Hydrogen_Bond_Acceptor_Count	2
71624688	TPSA	67.9
21564107	Total_Formal_Charge	0
13618050	Defined_Bond_Stereo_Count	0
159271	Total_Formal_Charge	0
7612	Non-hydrogen_Atom_Count	5
164084939	Isotope_Atom_Count	0
25023836	Rotatable_Bond_Count	7
359784	Non-hydrogen_Atom_Count	13
138077	Isotope_Atom_Count	0
60196372	Mono_Isotopic_Weight	217.977562
241	Non-hydrogen_Atom_Count	6
23932	Undefined_Bond_Stereo_Count	0
19309	Defined_Bond_Stereo_Count	0
6537488	Covalent_Unit_Count	1
112239	Covalent_Unit_Count	1
9948588	Isotope_Atom_Count	0
5281072	Undefined_Bond_Stereo_Count	0
135463451	Undefined_Bond_Stereo_Count	0
5311010	TPSA	416
1130	Defined_Atom_Stereo_Count	0
36966	Hydrogen_Bond_Donor_Count	2
1140	Exact_Mass	92.062600255
846942	Isotope_Atom_Count	0
9929138	Hydrogen_Bond_Donor_Count	2
121250	Rotatable_Bond_Count	2
27872	Undefined_Atom_Stereo_Count	0
6603720	Hydrogen_Bond_Acceptor_Count	3
53477948	Defined_Atom_Stereo_Count	1
6154037	Tautomer_Count	2
53396299	Defined_Atom_Stereo_Count	0
15415	Defined_Bond_Stereo_Count	0
60359	Covalent_Unit_Count	1
9299	Mono_Isotopic_Weight	312.9859922
33751	Total_Formal_Charge	0
102306506	Defined_Atom_Stereo_Count	4
5484366	Rotatable_Bond_Count	2
621558	TPSA	118
5318	Undefined_Bond_Stereo_Count	0
9865515	Defined_Atom_Stereo_Count	0
8036	Rotatable_Bond_Count	3
82140	Isotope_Atom_Count	0
16694	Molecular_Weight	132.20
72076	Isotope_Atom_Count	0
153270	XLogP3-AA	0.9
13214429	TPSA	50.6
1976	Molecular_Weight	643.6
219071	Defined_Atom_Stereo_Count	0
23365036	Covalent_Unit_Count	1
5311283	Undefined_Atom_Stereo_Count	1
4528	Undefined_Atom_Stereo_Count	1
48654	Defined_Bond_Stereo_Count	0
91175918	Structure_Complexity	114
72765870	Exact_Mass	251.094628657
135413552	TPSA	33.6
12418	Undefined_Atom_Stereo_Count	0
53315139	Total_Formal_Charge	0
62403	Rotatable_Bond_Count	9
81767	Defined_Atom_Stereo_Count	0
369401	Molecular_Weight	248.28
10026	Defined_Atom_Stereo_Count	0
27952	Undefined_Atom_Stereo_Count	0
101602	Total_Formal_Charge	0
529273	Total_Formal_Charge	0
70609968	Rotatable_Bond_Count	1
445258	XLogP3	2.3
7026090	Total_Formal_Charge	0
14103059	Molecular_Weight	897.2
25273647	Covalent_Unit_Count	1
14337	Mono_Isotopic_Weight	215.13438547
11181837	Undefined_Atom_Stereo_Count	0
14812	Undefined_Bond_Stereo_Count	0
9958278	XLogP3-AA	5.4
123047	Total_Formal_Charge	0
1437837	Total_Formal_Charge	0
72693	Defined_Bond_Stereo_Count	0
87663190	Undefined_Atom_Stereo_Count	0
88261	Exact_Mass	230.224580195
54173839	XLogP3-AA	2.1
12393928	TPSA	50.4
11953	Defined_Bond_Stereo_Count	0
54686186	Isotope_Atom_Count	0
54027648	Mono_Isotopic_Weight	101.047678466
57394195	Total_Formal_Charge	0
23418	Hydrogen_Bond_Donor_Count	2
8107	Defined_Atom_Stereo_Count	0
16208013	Defined_Bond_Stereo_Count	0
133082588	Hydrogen_Bond_Donor_Count	2
5282450	Hydrogen_Bond_Acceptor_Count	7
19871	XLogP3-AA	2.2
23552426	TPSA	38.9
98655	TPSA	43.4
7756	XLogP3-AA	1.5
17215	Undefined_Atom_Stereo_Count	0
56840960	Hydrogen_Bond_Donor_Count	2
102515	Total_Formal_Charge	0
86811213	XLogP3-AA	0.9
20342	Undefined_Atom_Stereo_Count	1
56670168	Hydrogen_Bond_Acceptor_Count	7
212	Defined_Atom_Stereo_Count	0
249006	Non-hydrogen_Atom_Count	8
59540609	Rotatable_Bond_Count	2
5283454	Mono_Isotopic_Weight	325.298079487
130055354	Undefined_Bond_Stereo_Count	0
11480819	TPSA	110
26651	Hydrogen_Bond_Donor_Count	7
135499741	Hydrogen_Bond_Donor_Count	2
8373	Total_Formal_Charge	0
69321	TPSA	45.8
72068	Tautomer_Count	1
2807	Undefined_Bond_Stereo_Count	2
44073	Structure_Complexity	484
66751347	Isotope_Atom_Count	0
96935	Defined_Atom_Stereo_Count	0
6204	Hydrogen_Bond_Donor_Count	0
3400822	Undefined_Atom_Stereo_Count	0
141251795	Structure_Complexity	162
98043896	Non-hydrogen_Atom_Count	30
22475	Defined_Bond_Stereo_Count	0
60150330	Total_Formal_Charge	0
11005	Hydrogen_Bond_Acceptor_Count	2
688107	Rotatable_Bond_Count	2
10376	TPSA	35.5
70580528	Molecular_Weight	378.4
4346	Rotatable_Bond_Count	10
88598101	Covalent_Unit_Count	1
70002683	Non-hydrogen_Atom_Count	7
65876	Undefined_Bond_Stereo_Count	0
9794203	Covalent_Unit_Count	1
11185559	Defined_Atom_Stereo_Count	0
919792	Total_Formal_Charge	0
18506437	Undefined_Bond_Stereo_Count	0
10409873	Tautomer_Count	2
5591	Hydrogen_Bond_Donor_Count	2
71307528	XLogP3-AA	4.2
942	Undefined_Atom_Stereo_Count	1
3081387	Non-hydrogen_Atom_Count	44
79577129	TPSA	46.5
75516	Undefined_Atom_Stereo_Count	0
18787571	Total_Formal_Charge	0
58233	Rotatable_Bond_Count	5
3083542	XLogP3-AA	7
4873	Hydrogen_Bond_Donor_Count	0
14379227	XLogP3-AA	0.5
23671430	Defined_Bond_Stereo_Count	0
56846451	Defined_Atom_Stereo_Count	0
525785	Molecular_Weight	111.14
70339927	Molecular_Weight	84.12
107992	Mono_Isotopic_Weight	198.0672241
63079	Undefined_Bond_Stereo_Count	0
46231499	TPSA	97.4
441364	Undefined_Bond_Stereo_Count	0
403821	Undefined_Bond_Stereo_Count	0
5017	Total_Formal_Charge	0
90479783	Undefined_Atom_Stereo_Count	0
142210	Hydrogen_Bond_Acceptor_Count	3
1441454	Hydrogen_Bond_Donor_Count	1
271553	Hydrogen_Bond_Donor_Count	1
139568	TPSA	0
97886	Defined_Atom_Stereo_Count	0
57052261	Defined_Bond_Stereo_Count	0
82536	Defined_Atom_Stereo_Count	0
53297414	Undefined_Atom_Stereo_Count	2
1724	Undefined_Bond_Stereo_Count	0
33938	Mono_Isotopic_Weight	212.120115130
53387026	Exact_Mass	368.20346808
67439664	TPSA	143
17513	TPSA	157
22323434	Molecular_Weight	466.5
12695916	Undefined_Atom_Stereo_Count	2
578771	Covalent_Unit_Count	1
12110098	Defined_Bond_Stereo_Count	0
134479	Defined_Bond_Stereo_Count	0
77332	Non-hydrogen_Atom_Count	8
5924208	Exact_Mass	520.79460
101049151	Isotope_Atom_Count	0
11243536	Hydrogen_Bond_Acceptor_Count	2
3366298	Undefined_Atom_Stereo_Count	0
135465818	Undefined_Atom_Stereo_Count	0
2433	Hydrogen_Bond_Acceptor_Count	14
141831210	Covalent_Unit_Count	1
9867605	Rotatable_Bond_Count	4
122640	Covalent_Unit_Count	1
1746	TPSA	79.8
19604021	Mono_Isotopic_Weight	98.084398327
71306404	Covalent_Unit_Count	1
8201	Covalent_Unit_Count	1
135528917	Exact_Mass	444.16966468
53708664	Defined_Bond_Stereo_Count	0
96088	Defined_Bond_Stereo_Count	0
11675641	Undefined_Atom_Stereo_Count	0
3000346	Hydrogen_Bond_Donor_Count	3
17360	Isotope_Atom_Count	0
71336	Isotope_Atom_Count	0
10189783	Undefined_Atom_Stereo_Count	0
59703138	Hydrogen_Bond_Acceptor_Count	4
142959	Molecular_Weight	116.07
2580	Hydrogen_Bond_Acceptor_Count	4
91857355	Mono_Isotopic_Weight	342.11621151
12241083	XLogP3-AA	2.9
5388937	Covalent_Unit_Count	1
135456190	Exact_Mass	328.15870608
5015	Non-hydrogen_Atom_Count	19
3699	Total_Formal_Charge	0
20072484	Undefined_Bond_Stereo_Count	0
37612	TPSA	37
77828	Defined_Bond_Stereo_Count	0
23663404	Undefined_Atom_Stereo_Count	1
31335	Covalent_Unit_Count	1
636371	Rotatable_Bond_Count	9
54679224	Mono_Isotopic_Weight	144.9930561
71893	TPSA	37.4
628127	Undefined_Atom_Stereo_Count	0
7454	Defined_Atom_Stereo_Count	0
643	Molecular_Weight	214.26
8483	Defined_Atom_Stereo_Count	0
5282398	Total_Formal_Charge	0
123348667	Non-hydrogen_Atom_Count	8
535480	Defined_Bond_Stereo_Count	0
23689036	Hydrogen_Bond_Acceptor_Count	4
145458139	Exact_Mass	348.20088463
12694695	Isotope_Atom_Count	0
839611	Defined_Bond_Stereo_Count	0
38853	Undefined_Atom_Stereo_Count	0
60196325	Rotatable_Bond_Count	4
90369	Defined_Atom_Stereo_Count	0
52987646	Mono_Isotopic_Weight	432.3204190
116701105	Defined_Bond_Stereo_Count	0
60196269	Non-hydrogen_Atom_Count	22
16051942	Non-hydrogen_Atom_Count	27
165359778	Defined_Bond_Stereo_Count	2
70099	Undefined_Atom_Stereo_Count	0
423792	Structure_Complexity	479
23599502	TPSA	60.6
178	Defined_Atom_Stereo_Count	0
91971361	Hydrogen_Bond_Donor_Count	1
5353466	Total_Formal_Charge	0
39042	Non-hydrogen_Atom_Count	25
521459	Mono_Isotopic_Weight	49.0078250319
12801	Molecular_Weight	162.14
23064530	Hydrogen_Bond_Donor_Count	1
589209	Hydrogen_Bond_Donor_Count	0
97995	Tautomer_Count	1
9819610	Non-hydrogen_Atom_Count	23
1382043	Isotope_Atom_Count	0
72160	Undefined_Atom_Stereo_Count	0
128814	Hydrogen_Bond_Acceptor_Count	6
102102069	Defined_Atom_Stereo_Count	0
12472552	Total_Formal_Charge	0
7742	XLogP3	1.1
101526739	Exact_Mass	940.42049858
3084092	Non-hydrogen_Atom_Count	45
79510	Mono_Isotopic_Weight	156.02834000
15204529	Undefined_Atom_Stereo_Count	2
71857	Defined_Atom_Stereo_Count	0
85608268	Non-hydrogen_Atom_Count	8
101203296	Structure_Complexity	252
823887	Hydrogen_Bond_Acceptor_Count	2
151170	Defined_Atom_Stereo_Count	0
22607	Total_Formal_Charge	0
25256833	Undefined_Atom_Stereo_Count	0
44309990	Exact_Mass	369.1374678
11111	TPSA	148
124723	Rotatable_Bond_Count	0
19935257	Hydrogen_Bond_Donor_Count	2
11232	Structure_Complexity	416
6477715	Isotope_Atom_Count	0
4097	Rotatable_Bond_Count	7
18769554	Isotope_Atom_Count	0
41448	Mono_Isotopic_Weight	268.07355886
6436148	Defined_Atom_Stereo_Count	7
9868902	TPSA	58.1
11228763	Hydrogen_Bond_Acceptor_Count	1
10057477	Molecular_Weight	115.13
68323	Defined_Atom_Stereo_Count	0
6987	Undefined_Bond_Stereo_Count	0
53484567	Defined_Bond_Stereo_Count	0
285129	Total_Formal_Charge	0
66792062	Defined_Atom_Stereo_Count	0
141363	Hydrogen_Bond_Donor_Count	0
59311377	TPSA	50.2
104769	Undefined_Bond_Stereo_Count	0
20670051	Hydrogen_Bond_Donor_Count	2
76035516	Exact_Mass	409.215412493
11675641	Defined_Atom_Stereo_Count	0
72685	Rotatable_Bond_Count	3
74255	TPSA	134
67326	Undefined_Atom_Stereo_Count	0
110821	Total_Formal_Charge	0
2734	Exact_Mass	184.9879707
57383474	TPSA	76.3
10898650	Non-hydrogen_Atom_Count	8
56842993	Structure_Complexity	503
15061530	Undefined_Atom_Stereo_Count	0
14957	Molecular_Weight	548.6
135391165	Defined_Bond_Stereo_Count	1
20494989	Rotatable_Bond_Count	0
544588	Defined_Bond_Stereo_Count	0
60196297	Structure_Complexity	377
36314	Defined_Bond_Stereo_Count	0
2319	Total_Formal_Charge	0
439341	Defined_Atom_Stereo_Count	10
44321290	Mono_Isotopic_Weight	548.35151204
117188816	Mono_Isotopic_Weight	113.058911855
16219856	TPSA	138
120231	XLogP3	0.8
81762	Hydrogen_Bond_Acceptor_Count	4
21123040	Hydrogen_Bond_Donor_Count	4
7916	Hydrogen_Bond_Acceptor_Count	2
6005	Tautomer_Count	171
67518639	Undefined_Bond_Stereo_Count	0
85568	Structure_Complexity	158
3500	XLogP3-AA	2.9
446576	Defined_Bond_Stereo_Count	0
3052772	Structure_Complexity	412
3034048	Hydrogen_Bond_Acceptor_Count	5
3047	Rotatable_Bond_Count	6
14296	XLogP3	1.3
63974	Exact_Mass	404.14845513
6918840	Defined_Bond_Stereo_Count	0
5289531	Defined_Bond_Stereo_Count	0
11544171	Defined_Atom_Stereo_Count	0
10856744	Mono_Isotopic_Weight	210.04629874
162955687	Mono_Isotopic_Weight	342.11621151
508	Defined_Atom_Stereo_Count	0
10419137	Hydrogen_Bond_Donor_Count	1
118969738	Mono_Isotopic_Weight	113.03892530
6603836	XLogP3-AA	7.6
197856	Molecular_Weight	532.5
150718	Defined_Atom_Stereo_Count	0
85904477	Isotope_Atom_Count	0
11837140	XLogP3-AA	1.9
3901	Exact_Mass	566.36073931
12940550	Hydrogen_Bond_Donor_Count	1
574495	Structure_Complexity	682
3017698	Rotatable_Bond_Count	4
441443	Total_Formal_Charge	0
10965866	Hydrogen_Bond_Donor_Count	0
162955	Hydrogen_Bond_Acceptor_Count	5
1304	Isotope_Atom_Count	0
7158	Undefined_Bond_Stereo_Count	0
537396	XLogP3-AA	0
449381	Tautomer_Count	2
11786594	Hydrogen_Bond_Donor_Count	2
533884	Mono_Isotopic_Weight	99.104799419
970	Hydrogen_Bond_Acceptor_Count	5
14214	Undefined_Atom_Stereo_Count	0
7196	Hydrogen_Bond_Acceptor_Count	4
1550887	Molecular_Weight	264.3
101186587	Hydrogen_Bond_Donor_Count	0
154909	Isotope_Atom_Count	0
92822	Hydrogen_Bond_Acceptor_Count	3
121733	Exact_Mass	181.110278721
3702	Covalent_Unit_Count	1
440266	Tautomer_Count	2
582708	Defined_Bond_Stereo_Count	0
9162	XLogP3	7
35492	Covalent_Unit_Count	1
6426739	Molecular_Weight	349.4
143647928	Structure_Complexity	107
8008	Hydrogen_Bond_Acceptor_Count	1
187079	Non-hydrogen_Atom_Count	30
10199016	Isotope_Atom_Count	0
164075219	Rotatable_Bond_Count	0
66435	Non-hydrogen_Atom_Count	24
10930	Defined_Bond_Stereo_Count	0
91427979	TPSA	0
17380	Undefined_Atom_Stereo_Count	2
709	Exact_Mass	194.05790880
59347	Hydrogen_Bond_Acceptor_Count	2
54840	TPSA	21.3
910	Rotatable_Bond_Count	5
6436083	Mono_Isotopic_Weight	538.18450
18150	Defined_Atom_Stereo_Count	0
13836896	Defined_Atom_Stereo_Count	0
12459575	Exact_Mass	116.083729621
2797	Molecular_Weight	214.64
95997	Undefined_Atom_Stereo_Count	0
138149697	Total_Formal_Charge	0
226288	Hydrogen_Bond_Donor_Count	1
86380	Defined_Atom_Stereo_Count	0
17963199	Defined_Atom_Stereo_Count	0
95946	Hydrogen_Bond_Donor_Count	2
7600	Non-hydrogen_Atom_Count	15
165971	Defined_Atom_Stereo_Count	0
54525629	Undefined_Bond_Stereo_Count	0
86439	Mono_Isotopic_Weight	433.0539994
119607	Rotatable_Bond_Count	3
611162	Defined_Bond_Stereo_Count	0
79642	Exact_Mass	231.0509649
135463451	Undefined_Atom_Stereo_Count	0
11970	Mono_Isotopic_Weight	152.047344113
25070193	Molecular_Weight	427.4
564751	Isotope_Atom_Count	0
9906028	TPSA	87.4
694857	Rotatable_Bond_Count	5
85821	Mono_Isotopic_Weight	296.225248902
54541930	Rotatable_Bond_Count	3
17778411	Undefined_Bond_Stereo_Count	0
27588	Structure_Complexity	189
12316	Rotatable_Bond_Count	2
7819	Undefined_Atom_Stereo_Count	0
22220113	Rotatable_Bond_Count	1
24180709	Hydrogen_Bond_Donor_Count	4
12211348	Defined_Bond_Stereo_Count	0
6182	TPSA	38
60196432	Mono_Isotopic_Weight	255.831566
497380	Structure_Complexity	639
96344	Undefined_Atom_Stereo_Count	0
25791439	Hydrogen_Bond_Donor_Count	5
65706	XLogP3-AA	1.3
71312086	TPSA	98
22150757	Total_Formal_Charge	0
185226	Molecular_Weight	95.14
558206	Tautomer_Count	1
44563177	Rotatable_Bond_Count	5
54575456	XLogP3-AA	1.3
111206	XLogP3-AA	1.4
407175	Covalent_Unit_Count	1
78485	Structure_Complexity	17.6
23689036	Rotatable_Bond_Count	0
14022497	Mono_Isotopic_Weight	331.17183360
10976469	Undefined_Bond_Stereo_Count	0
3613389	Non-hydrogen_Atom_Count	11
8055	Non-hydrogen_Atom_Count	8
94378	Undefined_Bond_Stereo_Count	0
383	Molecular_Weight	1158.1
23630065	Undefined_Atom_Stereo_Count	0
33254	Covalent_Unit_Count	3
1335	Hydrogen_Bond_Donor_Count	4
13003479	Total_Formal_Charge	0
44586930	Covalent_Unit_Count	1
3609	Tautomer_Count	27
16197725	Tautomer_Count	986
13867125	Molecular_Weight	288.4
5318599	Tautomer_Count	1
53826440	Covalent_Unit_Count	1
23667568	Hydrogen_Bond_Acceptor_Count	4
53326156	Total_Formal_Charge	0
6533	Rotatable_Bond_Count	8
16834	Total_Formal_Charge	0
71932	Structure_Complexity	406
19104	Exact_Mass	335.188529040
50964	TPSA	27.7
10267	Mono_Isotopic_Weight	339.99604987
151090	Hydrogen_Bond_Donor_Count	1
54761305	XLogP3-AA	2.6
10632	Undefined_Bond_Stereo_Count	0
528603	Hydrogen_Bond_Donor_Count	1
68713	Defined_Bond_Stereo_Count	0
3456	Hydrogen_Bond_Acceptor_Count	3
526624	Covalent_Unit_Count	1
5312978	Isotope_Atom_Count	0
15535273	Covalent_Unit_Count	1
8567	Molecular_Weight	195.21
2406	Defined_Atom_Stereo_Count	0
9950094	Molecular_Weight	345.8
21417010	Structure_Complexity	146
21118222	Exact_Mass	303.0621982
95299	Rotatable_Bond_Count	3
6951525	Undefined_Atom_Stereo_Count	0
95578	Isotope_Atom_Count	0
8141	Total_Formal_Charge	0
644131	Covalent_Unit_Count	1
670580	Hydrogen_Bond_Donor_Count	0
571	Defined_Atom_Stereo_Count	0
159603	TPSA	86.2
2737121	Undefined_Atom_Stereo_Count	0
89374433	Structure_Complexity	118
12240030	Exact_Mass	113.084063974
441332	Covalent_Unit_Count	1
5413034	Non-hydrogen_Atom_Count	19
156816292	Non-hydrogen_Atom_Count	8
3567443	XLogP3-AA	2.3
123963	Hydrogen_Bond_Acceptor_Count	3
539077	Undefined_Bond_Stereo_Count	0
130026523	TPSA	17.1
60910	Covalent_Unit_Count	1
56625	Covalent_Unit_Count	1
21924633	TPSA	17.1
852	Undefined_Atom_Stereo_Count	2
4858	Rotatable_Bond_Count	3
11033	Defined_Atom_Stereo_Count	0
22829	Undefined_Bond_Stereo_Count	0
9810771	Exact_Mass	758.2146534
10192685	Undefined_Bond_Stereo_Count	0
11962267	Undefined_Bond_Stereo_Count	0
16842	TPSA	37.4
86278404	Isotope_Atom_Count	0
9828138	Mono_Isotopic_Weight	522.27635824
5742631	Hydrogen_Bond_Acceptor_Count	6
5334356	Hydrogen_Bond_Acceptor_Count	4
4523766	Exact_Mass	466.111476
10526	XLogP3-AA	1.6
13363	Covalent_Unit_Count	2
89162	Non-hydrogen_Atom_Count	16
304	Total_Formal_Charge	0
46877881	Mono_Isotopic_Weight	813.42859314
1976	Structure_Complexity	968
63079	Undefined_Atom_Stereo_Count	0
53436345	Isotope_Atom_Count	0
8923	Hydrogen_Bond_Donor_Count	1
25324	XLogP3-AA	3.5
11332416	Isotope_Atom_Count	5
111089	Defined_Bond_Stereo_Count	0
161562	Hydrogen_Bond_Donor_Count	0
87075443	Defined_Bond_Stereo_Count	0
19003653	Undefined_Bond_Stereo_Count	0
5167	Undefined_Atom_Stereo_Count	1
131673820	Structure_Complexity	958
190	Defined_Atom_Stereo_Count	0
56955185	Mono_Isotopic_Weight	351.173547683
3349	Rotatable_Bond_Count	1
63119	Total_Formal_Charge	0
29921593	Undefined_Atom_Stereo_Count	0
21221120	Covalent_Unit_Count	1
143723227	Covalent_Unit_Count	1
61739	Covalent_Unit_Count	1
35958	Tautomer_Count	1
667490	Undefined_Bond_Stereo_Count	0
632	Tautomer_Count	1
92187	Rotatable_Bond_Count	1
163201191	Undefined_Atom_Stereo_Count	2
40589	Non-hydrogen_Atom_Count	26
612055	Isotope_Atom_Count	0
117852135	Covalent_Unit_Count	1
317678	Defined_Bond_Stereo_Count	0
10364	Covalent_Unit_Count	1
19108211	Hydrogen_Bond_Donor_Count	1
19743370	Covalent_Unit_Count	1
16684171	Total_Formal_Charge	0
130169	Isotope_Atom_Count	0
91419129	Covalent_Unit_Count	1
22574	Defined_Atom_Stereo_Count	0
10221890	TPSA	139
8094	Defined_Atom_Stereo_Count	0
10200813	Total_Formal_Charge	0
82479	Non-hydrogen_Atom_Count	14
18069	Covalent_Unit_Count	1
5362858	Covalent_Unit_Count	1
4250936	Rotatable_Bond_Count	0
11306073	Hydrogen_Bond_Donor_Count	6
4402648	Undefined_Bond_Stereo_Count	0
100969894	Non-hydrogen_Atom_Count	8
10331863	XLogP3-AA	3.1
12233709	Hydrogen_Bond_Donor_Count	0
72494242	Covalent_Unit_Count	1
39784	Isotope_Atom_Count	0
8250	TPSA	82.2
60196329	Defined_Bond_Stereo_Count	1
21843609	Rotatable_Bond_Count	2
28532	Isotope_Atom_Count	0
165993043	XLogP3-AA	1.4
64337	Hydrogen_Bond_Donor_Count	2
74077706	Isotope_Atom_Count	0
130866606	Undefined_Atom_Stereo_Count	2
89248	Non-hydrogen_Atom_Count	23
65999	Covalent_Unit_Count	1
12899069	Hydrogen_Bond_Acceptor_Count	6
2775941	Undefined_Bond_Stereo_Count	0
96430	Defined_Bond_Stereo_Count	0
19371857	Isotope_Atom_Count	0
25100590	Undefined_Bond_Stereo_Count	0
6574	Exact_Mass	131.930033
10101269	Mono_Isotopic_Weight	703.87857
3081317	Covalent_Unit_Count	1
98887	Undefined_Bond_Stereo_Count	0
5389	XLogP3-AA	2.9
3332	Covalent_Unit_Count	1
8626	Defined_Bond_Stereo_Count	0
5746249	Defined_Bond_Stereo_Count	1
33044	Undefined_Atom_Stereo_Count	0
11170931	Hydrogen_Bond_Acceptor_Count	3
688024	Mono_Isotopic_Weight	275.15214353
6961	Rotatable_Bond_Count	4
12896	XLogP3	3.2
81079	Hydrogen_Bond_Donor_Count	0
18506437	Defined_Atom_Stereo_Count	0
136437	Total_Formal_Charge	0
390798	Hydrogen_Bond_Donor_Count	0
963289	Undefined_Atom_Stereo_Count	0
5381214	Undefined_Bond_Stereo_Count	0
57394260	Total_Formal_Charge	0
16129675	Molecular_Weight	1352.4
338690	Exact_Mass	114.042927438
131705644	Total_Formal_Charge	0
66792573	Rotatable_Bond_Count	1
1957	Molecular_Weight	381.5
24848413	Undefined_Atom_Stereo_Count	0
98053103	Isotope_Atom_Count	0
51931	TPSA	52.3
9180	Exact_Mass	229.089149355
3940	Defined_Bond_Stereo_Count	0
5287540	Undefined_Bond_Stereo_Count	0
803776	TPSA	12.5
71587637	Structure_Complexity	450
135398631	Undefined_Bond_Stereo_Count	0
58423153	Tautomer_Count	3
9802542	Exact_Mass	426.19197371
2187	Molecular_Weight	293.4
45380694	Isotope_Atom_Count	0
110640	Isotope_Atom_Count	0
24946799	Undefined_Atom_Stereo_Count	1
33515	Hydrogen_Bond_Donor_Count	0
57473011	Hydrogen_Bond_Donor_Count	0
13972130	Structure_Complexity	76.6
522065	Defined_Atom_Stereo_Count	0
3328	Rotatable_Bond_Count	10
148557	Tautomer_Count	1
17841655	Rotatable_Bond_Count	0
215932	TPSA	87.8
53643410	Defined_Bond_Stereo_Count	0
51357128	Defined_Atom_Stereo_Count	1
55861	Covalent_Unit_Count	1
13462200	TPSA	20.2
44310763	XLogP3-AA	3.8
13474789	Defined_Bond_Stereo_Count	0
21493122	Rotatable_Bond_Count	2
219096	TPSA	23.5
64356	Mono_Isotopic_Weight	267.0346565
89708952	Defined_Atom_Stereo_Count	0
3894573	Undefined_Atom_Stereo_Count	0
10887868	XLogP3-AA	0.1
222549	Isotope_Atom_Count	0
6866	Hydrogen_Bond_Acceptor_Count	1
11229	Defined_Atom_Stereo_Count	0
71462100	Total_Formal_Charge	0
6358	Total_Formal_Charge	0
12359154	Total_Formal_Charge	0
23675242	Covalent_Unit_Count	2
24198	Total_Formal_Charge	0
5501	Mono_Isotopic_Weight	232.09602564
123215474	Hydrogen_Bond_Donor_Count	3
167	Structure_Complexity	259
160866	Hydrogen_Bond_Donor_Count	0
9928397	Hydrogen_Bond_Acceptor_Count	4
10638	Undefined_Atom_Stereo_Count	0
317	Defined_Atom_Stereo_Count	0
131709170	Molecular_Weight	1355.4
1549992	Tautomer_Count	1
22406051	Undefined_Atom_Stereo_Count	2
69272932	Isotope_Atom_Count	0
68751	Hydrogen_Bond_Donor_Count	1
7774	Non-hydrogen_Atom_Count	16
5299	Defined_Atom_Stereo_Count	0
139033724	Mono_Isotopic_Weight	3035.1547236
139595130	Hydrogen_Bond_Donor_Count	11
93092	Molecular_Weight	224.39
12259682	Structure_Complexity	414
31640	Tautomer_Count	2
6769	Molecular_Weight	666.7
121942	Exact_Mass	356.13186158
11228764	Defined_Bond_Stereo_Count	0
19431	Exact_Mass	272.99816207
87254011	XLogP3-AA	1.9
24947	Molecular_Weight	183.32
114681	Total_Formal_Charge	0
66376	Mono_Isotopic_Weight	132.90591
78131	Rotatable_Bond_Count	2
723	Rotatable_Bond_Count	2
21303298	Total_Formal_Charge	0
21282995	Undefined_Bond_Stereo_Count	0
5452	Undefined_Bond_Stereo_Count	0
82839	Isotope_Atom_Count	0
57397809	Undefined_Bond_Stereo_Count	0
23520950	Total_Formal_Charge	0
40100	Hydrogen_Bond_Donor_Count	1
134692189	Hydrogen_Bond_Donor_Count	3
72665	Covalent_Unit_Count	1
5684	Defined_Atom_Stereo_Count	0
69017	Covalent_Unit_Count	1
60196382	Hydrogen_Bond_Donor_Count	0
11405875	Defined_Atom_Stereo_Count	0
517030	Defined_Bond_Stereo_Count	0
1414	Mono_Isotopic_Weight	280.20384475
101611446	Rotatable_Bond_Count	0
9835868	Undefined_Atom_Stereo_Count	0
5281951	Exact_Mass	453.94217074
1335	Exact_Mass	133.07389321
142994149	Undefined_Atom_Stereo_Count	0
11020241	Defined_Atom_Stereo_Count	2
11485	Undefined_Atom_Stereo_Count	0
9813758	Molecular_Weight	255.32
117926	Tautomer_Count	1
4078	Isotope_Atom_Count	0
17860191	Undefined_Atom_Stereo_Count	0
123162	Hydrogen_Bond_Donor_Count	0
121492767	Total_Formal_Charge	0
72604488	Total_Formal_Charge	0
123755	Total_Formal_Charge	0
20465	Hydrogen_Bond_Donor_Count	1
134150175	TPSA	110
23003869	Rotatable_Bond_Count	1
17078	TPSA	20.2
2440	Mono_Isotopic_Weight	496.09575
200742	Hydrogen_Bond_Donor_Count	0
87927	Hydrogen_Bond_Donor_Count	0
5280451	Structure_Complexity	138
4993182	Hydrogen_Bond_Donor_Count	3
30199	Covalent_Unit_Count	1
494123	Hydrogen_Bond_Acceptor_Count	1
18356755	Non-hydrogen_Atom_Count	7
24678	Structure_Complexity	297
6713443	Defined_Bond_Stereo_Count	0
31209	Total_Formal_Charge	0
11262	Exact_Mass	100.088815002
139692	Covalent_Unit_Count	1
13260750	Tautomer_Count	1
11819049	Hydrogen_Bond_Donor_Count	1
31269	Defined_Bond_Stereo_Count	0
74041114	Rotatable_Bond_Count	1
7608	Defined_Atom_Stereo_Count	0
7991	Structure_Complexity	59.1
21826	Undefined_Bond_Stereo_Count	0
131254	Rotatable_Bond_Count	11
7566942	Defined_Atom_Stereo_Count	10
3033056	Structure_Complexity	122
58952	XLogP3-AA	2.9
10622871	Undefined_Bond_Stereo_Count	0
4591	Mono_Isotopic_Weight	790.52311317
117120	Rotatable_Bond_Count	4
637794	Non-hydrogen_Atom_Count	12
53407229	Molecular_Weight	101.15
60196302	Isotope_Atom_Count	0
6397	TPSA	0
100937012	Defined_Bond_Stereo_Count	0
17756938	Isotope_Atom_Count	0
27531	Total_Formal_Charge	0
135564773	Rotatable_Bond_Count	3
148821664	Covalent_Unit_Count	1
155144825	Covalent_Unit_Count	1
23666830	Total_Formal_Charge	0
69826668	XLogP3-AA	5.1
53909396	Hydrogen_Bond_Donor_Count	1
135398721	Total_Formal_Charge	0
503327	Defined_Bond_Stereo_Count	0
72199432	TPSA	133
71027	Molecular_Weight	208.25
160692	Mono_Isotopic_Weight	251.094628657
54167752	Covalent_Unit_Count	1
27402	Defined_Bond_Stereo_Count	0
13315542	Rotatable_Bond_Count	1
31772	Undefined_Atom_Stereo_Count	1
102233553	Covalent_Unit_Count	1
146395	Rotatable_Bond_Count	8
3702	Undefined_Atom_Stereo_Count	1
5702628	Rotatable_Bond_Count	2
129851390	Hydrogen_Bond_Donor_Count	3
55804	Molecular_Weight	217.69
66070288	Rotatable_Bond_Count	2
19896519	Covalent_Unit_Count	1
127036660	Undefined_Atom_Stereo_Count	0
293676	Defined_Atom_Stereo_Count	0
92187	Hydrogen_Bond_Acceptor_Count	3
11029761	TPSA	40.5
12040512	TPSA	115
47455	Non-hydrogen_Atom_Count	21
3139	Defined_Bond_Stereo_Count	0
87220078	Undefined_Bond_Stereo_Count	0
10746	Hydrogen_Bond_Acceptor_Count	3
12711096	Covalent_Unit_Count	1
19883347	Exact_Mass	101.084063974
103563866	Mono_Isotopic_Weight	111.068413911
25244372	Undefined_Bond_Stereo_Count	0
115227	TPSA	70.2
11768544	Isotope_Atom_Count	0
5813717	Undefined_Atom_Stereo_Count	0
66025	Mono_Isotopic_Weight	151.063328530
45117195	Covalent_Unit_Count	1
765	Mono_Isotopic_Weight	283.09166853
123976	Molecular_Weight	402.7
16109396	Molecular_Weight	356.4
5284529	Hydrogen_Bond_Acceptor_Count	7
21303152	XLogP3-AA	0
21872023	Molecular_Weight	443.0
22608833	Defined_Bond_Stereo_Count	0
194670	Hydrogen_Bond_Acceptor_Count	3
453131	Exact_Mass	343.14197277
71511839	TPSA	618
28620	TPSA	282
95609	Undefined_Atom_Stereo_Count	1
70281073	Exact_Mass	387.17289623
48104	Exact_Mass	259.1339066
134694981	Rotatable_Bond_Count	8
57504473	Total_Formal_Charge	0
133587580	Hydrogen_Bond_Acceptor_Count	14
277406	Non-hydrogen_Atom_Count	8
12262509	Defined_Atom_Stereo_Count	1
73640	Covalent_Unit_Count	1
21996040	Exact_Mass	114.104465066
65844	Isotope_Atom_Count	0
6674	Defined_Atom_Stereo_Count	8
71462102	Mono_Isotopic_Weight	478.1426128
23368901	Rotatable_Bond_Count	0
4461	TPSA	211
11051610	Undefined_Bond_Stereo_Count	0
535479	TPSA	26.8
92722	Hydrogen_Bond_Acceptor_Count	8
5486705	Hydrogen_Bond_Acceptor_Count	13
53735	XLogP3-AA	1.8
6931560	Hydrogen_Bond_Donor_Count	1
11194	Mono_Isotopic_Weight	98.073164938
7761	Tautomer_Count	1
13444041	Non-hydrogen_Atom_Count	8
638057	Total_Formal_Charge	0
159812	Hydrogen_Bond_Donor_Count	4
57174031	Defined_Atom_Stereo_Count	1
53432920	Undefined_Atom_Stereo_Count	0
21184953	Molecular_Weight	97.12
107647	Total_Formal_Charge	0
4317	Undefined_Bond_Stereo_Count	0
13224	Structure_Complexity	160
136091	Exact_Mass	110.109550447
45484135	Rotatable_Bond_Count	12
135398633	Molecular_Weight	523.18
12746998	Covalent_Unit_Count	1
551191	Hydrogen_Bond_Acceptor_Count	1
76223445	Molecular_Weight	81.12
11105318	Undefined_Bond_Stereo_Count	0
26089	Mono_Isotopic_Weight	179.849305
82197	XLogP3	1.6
68013637	Exact_Mass	342.11621151
129474	Exact_Mass	291.18344366
54530170	Defined_Atom_Stereo_Count	0
89225	Undefined_Atom_Stereo_Count	1
25019176	Mono_Isotopic_Weight	350.15768240
44630251	Defined_Bond_Stereo_Count	0
539244	Structure_Complexity	1020
23448613	Undefined_Atom_Stereo_Count	0
60167543	Mono_Isotopic_Weight	500.18442974
25223	TPSA	26
9537	Undefined_Bond_Stereo_Count	0
28060	Isotope_Atom_Count	0
101926676	Molecular_Weight	332.31
75931	Undefined_Atom_Stereo_Count	0
18195	Covalent_Unit_Count	1
54300272	Mono_Isotopic_Weight	101.084063974
10963	Tautomer_Count	1
49862574	Mono_Isotopic_Weight	442.15379832
1312	Exact_Mass	451.02941569
91753	TPSA	40.6
67406	Covalent_Unit_Count	1
51029964	Exact_Mass	463.18894022
13531384	Isotope_Atom_Count	0
135513267	Undefined_Bond_Stereo_Count	0
135465069	Tautomer_Count	4
3664	TPSA	149
72849	Molecular_Weight	307.2
3664740	Molecular_Weight	327.3
6950353	Undefined_Bond_Stereo_Count	0
163276251	Hydrogen_Bond_Donor_Count	0
55294	Undefined_Atom_Stereo_Count	0
54581904	Molecular_Weight	300.4
4592	Molecular_Weight	298.34
84647715	Mono_Isotopic_Weight	115.063328530
222199	Structure_Complexity	208
14985552	Exact_Mass	107.073499291
15788366	TPSA	66.2
643790	Defined_Bond_Stereo_Count	1
79717	Undefined_Atom_Stereo_Count	0
86912	Hydrogen_Bond_Acceptor_Count	2
5466987	Molecular_Weight	435.4
5282138	Structure_Complexity	896
107744	Defined_Bond_Stereo_Count	0
2893	Defined_Atom_Stereo_Count	0
4723	Covalent_Unit_Count	1
12717	Molecular_Weight	119.08
12513422	Hydrogen_Bond_Acceptor_Count	1
65211	Non-hydrogen_Atom_Count	33
41653	Mono_Isotopic_Weight	897.47219980
9933004	Rotatable_Bond_Count	6
203433	Total_Formal_Charge	0
5813717	Defined_Atom_Stereo_Count	0
51253	Undefined_Bond_Stereo_Count	0
5464924	Exact_Mass	564.03287581
14119	Defined_Bond_Stereo_Count	0
31877	Isotope_Atom_Count	0
18364965	Defined_Atom_Stereo_Count	0
5924208	TPSA	49.3
12217497	TPSA	17.1
53910819	Hydrogen_Bond_Donor_Count	0
136477	Defined_Atom_Stereo_Count	0
35405	Undefined_Bond_Stereo_Count	0
73481	Structure_Complexity	963
8305	Structure_Complexity	400
6713960	Rotatable_Bond_Count	6
440005	Undefined_Bond_Stereo_Count	0
130126869	Undefined_Bond_Stereo_Count	0
71663	Undefined_Bond_Stereo_Count	2
4630	Structure_Complexity	293
6862	Exact_Mass	186.068079557
447339	Exact_Mass	369.08303586
123134657	Defined_Bond_Stereo_Count	1
154461366	Mono_Isotopic_Weight	107.037113783
21864093	TPSA	69.4
5458165	Rotatable_Bond_Count	6
92810	Rotatable_Bond_Count	1
68321815	TPSA	77.2
23973	Defined_Bond_Stereo_Count	0
9961766	Hydrogen_Bond_Acceptor_Count	9
6764	TPSA	59.9
20790054	Defined_Atom_Stereo_Count	0
9877608	Rotatable_Bond_Count	6
53487990	Undefined_Bond_Stereo_Count	0
62504	TPSA	49.8
72104	Rotatable_Bond_Count	1
57551933	Defined_Atom_Stereo_Count	0
163201191	Total_Formal_Charge	0
140979598	Defined_Bond_Stereo_Count	0
137808	Exact_Mass	93.057849228
549253	Total_Formal_Charge	0
75923	TPSA	0
59952	Defined_Bond_Stereo_Count	0
13314379	Hydrogen_Bond_Donor_Count	0
80881	Total_Formal_Charge	0
68981	XLogP3-AA	0.9
7597	Exact_Mass	214.062994177
274075	Covalent_Unit_Count	1
91667825	Defined_Bond_Stereo_Count	0
12699161	Rotatable_Bond_Count	0
430914	Defined_Bond_Stereo_Count	0
73277	XLogP3	0.7
430945	Isotope_Atom_Count	0
158144361	TPSA	40.5
690109	Rotatable_Bond_Count	1
55399	Molecular_Weight	622.8
5347	Undefined_Bond_Stereo_Count	1
5281077	Structure_Complexity	154
13037934	Total_Formal_Charge	0
21718305	Covalent_Unit_Count	1
12634653	XLogP3-AA	1.9
9561131	Molecular_Weight	170.18
85257	Exact_Mass	94.98029013
15178985	Exact_Mass	114.068079557
165075	Hydrogen_Bond_Acceptor_Count	7
18029	Covalent_Unit_Count	1
78960	Undefined_Bond_Stereo_Count	0
70297750	Undefined_Atom_Stereo_Count	1
16051935	Hydrogen_Bond_Acceptor_Count	12
6113	Undefined_Bond_Stereo_Count	0
13610	Tautomer_Count	1
118216	Hydrogen_Bond_Acceptor_Count	1
54037464	Undefined_Bond_Stereo_Count	0
16376	Exact_Mass	113.022526347
267449	Hydrogen_Bond_Donor_Count	1
24671	Defined_Bond_Stereo_Count	0
2776666	Covalent_Unit_Count	1
27400	Defined_Atom_Stereo_Count	0
2775941	Undefined_Atom_Stereo_Count	0
71622	Hydrogen_Bond_Acceptor_Count	6
5478927	TPSA	121
15853200	Covalent_Unit_Count	1
12208570	Defined_Atom_Stereo_Count	0
659840	Isotope_Atom_Count	0
683253	Non-hydrogen_Atom_Count	19
83445	Structure_Complexity	290
1942902	Total_Formal_Charge	0
61136	Hydrogen_Bond_Donor_Count	2
15951485	XLogP3-AA	3.4
16426	Total_Formal_Charge	0
102614	Isotope_Atom_Count	0
39484	Rotatable_Bond_Count	1
141516912	Hydrogen_Bond_Donor_Count	0
10442928	Mono_Isotopic_Weight	204.187800766
1993	Hydrogen_Bond_Acceptor_Count	2
17150	Total_Formal_Charge	0
219081	Defined_Atom_Stereo_Count	0
688570	XLogP3-AA	2.3
8454	Defined_Atom_Stereo_Count	0
69341160	Covalent_Unit_Count	1
10470290	Defined_Atom_Stereo_Count	0
100308	Defined_Atom_Stereo_Count	2
10126081	Exact_Mass	354.18939187
6329567	Hydrogen_Bond_Donor_Count	0
11806375	Molecular_Weight	226.27
10197702	Non-hydrogen_Atom_Count	10
25272039	Undefined_Atom_Stereo_Count	0
6989253	Molecular_Weight	117.15
139078609	TPSA	136
142262	Defined_Bond_Stereo_Count	0
81472	XLogP3-AA	0.6
23724509	Mono_Isotopic_Weight	1021.47316054
92210	Structure_Complexity	72.9
16220011	Covalent_Unit_Count	1
52361	Undefined_Atom_Stereo_Count	1
15144	XLogP3-AA	0.4
8058	Covalent_Unit_Count	1
73425380	Covalent_Unit_Count	1
22024864	Exact_Mass	99.068413911
271488	Isotope_Atom_Count	0
57687	Hydrogen_Bond_Acceptor_Count	4
129870262	Rotatable_Bond_Count	0
521938	Defined_Bond_Stereo_Count	0
80530	Defined_Bond_Stereo_Count	0
516356	Undefined_Atom_Stereo_Count	0
80690	Molecular_Weight	349.9
55305	Tautomer_Count	1
12705044	Covalent_Unit_Count	1
91746262	Structure_Complexity	382
22836366	Covalent_Unit_Count	1
158076	Exact_Mass	293.1294900
57784	Undefined_Bond_Stereo_Count	0
11550005	Undefined_Atom_Stereo_Count	2
393602	Exact_Mass	434.17293854
18636	TPSA	18.5
290807	Defined_Bond_Stereo_Count	0
67698	Defined_Bond_Stereo_Count	0
87901	Undefined_Atom_Stereo_Count	0
8371	Exact_Mass	245.862290
715287	Exact_Mass	303.11538136
132228	Undefined_Bond_Stereo_Count	0
67989199	Defined_Bond_Stereo_Count	0
105709961	Hydrogen_Bond_Acceptor_Count	1
14179013	Structure_Complexity	1120
73553786	Defined_Atom_Stereo_Count	0
158144361	Covalent_Unit_Count	1
44755146	TPSA	117
221	TPSA	177
41743	Hydrogen_Bond_Acceptor_Count	3
5029	Covalent_Unit_Count	1
7284	Total_Formal_Charge	0
33572	Covalent_Unit_Count	1
9956127	TPSA	117
20373272	TPSA	9.2
441276	Isotope_Atom_Count	0
17875436	Hydrogen_Bond_Acceptor_Count	2
556492	TPSA	20.2
57641	Defined_Bond_Stereo_Count	0
72099	Defined_Bond_Stereo_Count	0
60006708	TPSA	21.6
9985199	XLogP3-AA	4.1
79081	Structure_Complexity	52.1
23520950	Hydrogen_Bond_Donor_Count	0
98559	Total_Formal_Charge	0
135409387	Hydrogen_Bond_Donor_Count	1
93847	Structure_Complexity	264
6235	Undefined_Bond_Stereo_Count	0
158797	Defined_Bond_Stereo_Count	0
337218	Molecular_Weight	382.4
1524	Defined_Bond_Stereo_Count	0
71253	Hydrogen_Bond_Acceptor_Count	7
18467	Covalent_Unit_Count	1
35489	Hydrogen_Bond_Donor_Count	2
28871	TPSA	78.4
3497	Isotope_Atom_Count	0
29911	Molecular_Weight	828.5
31257	Total_Formal_Charge	0
15627	Rotatable_Bond_Count	2
70680234	Undefined_Bond_Stereo_Count	0
4227	Hydrogen_Bond_Acceptor_Count	4
14714336	Defined_Atom_Stereo_Count	0
18622	Covalent_Unit_Count	1
87426124	Isotope_Atom_Count	0
71636	Total_Formal_Charge	0
129675901	Defined_Bond_Stereo_Count	0
12933420	Covalent_Unit_Count	1
105056	Undefined_Atom_Stereo_Count	0
20146588	Total_Formal_Charge	0
11389	Covalent_Unit_Count	1
74195	Covalent_Unit_Count	1
61753	Hydrogen_Bond_Donor_Count	0
8900	Mono_Isotopic_Weight	100.125200510
7746	Rotatable_Bond_Count	2
9270	Non-hydrogen_Atom_Count	28
9796068	TPSA	88.9
10964	Total_Formal_Charge	0
89724935	Structure_Complexity	122
11349000	Exact_Mass	362.12127520
122163231	Mono_Isotopic_Weight	108.99862027
75771	Non-hydrogen_Atom_Count	10
14297145	Mono_Isotopic_Weight	236.00449107
10048368	Molecular_Weight	431.3
27934	Defined_Bond_Stereo_Count	0
53867497	Non-hydrogen_Atom_Count	11
6436061	Exact_Mass	246.06405680
13582607	Defined_Atom_Stereo_Count	0
16097729	TPSA	235
3433	Structure_Complexity	402
25273609	Molecular_Weight	388.9
12075598	Exact_Mass	208.05177804
87359450	Isotope_Atom_Count	0
137090	Covalent_Unit_Count	1
54368096	Non-hydrogen_Atom_Count	7
3899541	XLogP3-AA	0.1
53245646	Rotatable_Bond_Count	7
71517531	XLogP3-AA	3.1
54260	Molecular_Weight	317.5
139077515	Defined_Bond_Stereo_Count	0
70662473	Rotatable_Bond_Count	16
62545	Hydrogen_Bond_Acceptor_Count	5
24821094	Exact_Mass	440.19607403
119499	Non-hydrogen_Atom_Count	13
9837124	Structure_Complexity	37.4
10784	Molecular_Weight	220.01
41599	Undefined_Atom_Stereo_Count	0
12220383	Exact_Mass	111.068413911
69913	Defined_Atom_Stereo_Count	0
90281906	Total_Formal_Charge	0
80032	Defined_Atom_Stereo_Count	0
122214398	Undefined_Bond_Stereo_Count	0
24828759	Defined_Bond_Stereo_Count	0
5283335	Defined_Atom_Stereo_Count	0
3034047	Total_Formal_Charge	0
91282244	XLogP3-AA	1
14982	XLogP3-AA	3.7
24207195	Defined_Atom_Stereo_Count	9
49868036	Hydrogen_Bond_Acceptor_Count	21
8141	Hydrogen_Bond_Donor_Count	0
688378	Hydrogen_Bond_Donor_Count	3
23675258	Molecular_Weight	205.17
2734940	Hydrogen_Bond_Acceptor_Count	0
1640	Hydrogen_Bond_Acceptor_Count	2
994	Rotatable_Bond_Count	3
70698172	Structure_Complexity	499
15204529	Structure_Complexity	107
76852230	Undefined_Atom_Stereo_Count	1
16210995	TPSA	74.4
248580	TPSA	29.1
171808	Total_Formal_Charge	0
606430	Covalent_Unit_Count	1
71849	Covalent_Unit_Count	3
11956149	Exact_Mass	185.0607417
511	Undefined_Atom_Stereo_Count	0
21103	TPSA	41.5
115080007	TPSA	59.2
1241420	Defined_Bond_Stereo_Count	0
69216	Isotope_Atom_Count	0
44135708	Mono_Isotopic_Weight	190.02420298
10413	Non-hydrogen_Atom_Count	7
20449	Undefined_Bond_Stereo_Count	0
130324566	Total_Formal_Charge	0
5280981	Molecular_Weight	222.17
3035406	Structure_Complexity	1900
445344	Hydrogen_Bond_Acceptor_Count	22
5338	Exact_Mass	300.06809681
87064200	Undefined_Atom_Stereo_Count	0
10011877	Defined_Bond_Stereo_Count	0
15505	XLogP3-AA	4.6
136893	Covalent_Unit_Count	1
13028028	Molecular_Weight	103.12
122214397	Non-hydrogen_Atom_Count	33
13447028	Molecular_Weight	111.14
14545018	Defined_Bond_Stereo_Count	0
14706	Structure_Complexity	432
145705978	Undefined_Bond_Stereo_Count	0
68993193	Defined_Atom_Stereo_Count	0
7098663	Undefined_Bond_Stereo_Count	0
57286318	Defined_Atom_Stereo_Count	0
5297	Covalent_Unit_Count	1
4136	Defined_Bond_Stereo_Count	0
88209	TPSA	37.3
101874073	Isotope_Atom_Count	0
25185057	Covalent_Unit_Count	1
11908490	Total_Formal_Charge	0
104805	Rotatable_Bond_Count	0
96412	Non-hydrogen_Atom_Count	6
4357	Non-hydrogen_Atom_Count	17
10778228	Hydrogen_Bond_Acceptor_Count	3
562720	TPSA	49.6
7098680	Defined_Atom_Stereo_Count	2
97919	Undefined_Atom_Stereo_Count	1
5328017	Exact_Mass	222.090546336
19674	Total_Formal_Charge	0
134860471	Mono_Isotopic_Weight	180.06338810
8679	Mono_Isotopic_Weight	219.104799419
5463081	Rotatable_Bond_Count	0
319715	Mono_Isotopic_Weight	239.07937252
688267	Tautomer_Count	1
31253	Rotatable_Bond_Count	4
92897	Tautomer_Count	1
123134263	Rotatable_Bond_Count	15
20191	Molecular_Weight	380.3
46218908	Mono_Isotopic_Weight	580.28969963
16135	Undefined_Atom_Stereo_Count	0
102506015	Hydrogen_Bond_Acceptor_Count	4
136102	Undefined_Atom_Stereo_Count	0
228131	Non-hydrogen_Atom_Count	12
6604495	Hydrogen_Bond_Donor_Count	4
16132446	Defined_Atom_Stereo_Count	41
67248528	Total_Formal_Charge	0
6080476	Structure_Complexity	528
3011527	Non-hydrogen_Atom_Count	26
17321	XLogP3	5.2
54910	Mono_Isotopic_Weight	261.0556563
456718	Mono_Isotopic_Weight	270.11167570
138108	Undefined_Atom_Stereo_Count	0
3045407	Mono_Isotopic_Weight	578.26281617
98097	Hydrogen_Bond_Donor_Count	0
107654	Total_Formal_Charge	0
26989	Isotope_Atom_Count	0
24766297	Structure_Complexity	776
10753	Exact_Mass	253.01572689
44578616	Isotope_Atom_Count	0
103563866	Undefined_Bond_Stereo_Count	0
59040622	Exact_Mass	180.06338810
8002	XLogP3	2.8
441244	Hydrogen_Bond_Acceptor_Count	6
3047822	Mono_Isotopic_Weight	204.11100700
12508258	Total_Formal_Charge	0
59503411	Undefined_Bond_Stereo_Count	0
126479882	Mono_Isotopic_Weight	637.15978786
12241264	Defined_Atom_Stereo_Count	2
23662389	Structure_Complexity	670
53476	Molecular_Weight	251.06
19828393	XLogP3-AA	0.9
83556	Molecular_Weight	364.0
70150	Covalent_Unit_Count	1
23525700	Hydrogen_Bond_Donor_Count	1
20056625	Undefined_Atom_Stereo_Count	0
42471	Defined_Bond_Stereo_Count	0
6432709	Total_Formal_Charge	0
4369563	Rotatable_Bond_Count	2
118972006	Undefined_Bond_Stereo_Count	0
3249	Covalent_Unit_Count	1
14968895	Defined_Atom_Stereo_Count	0
123966192	Defined_Atom_Stereo_Count	0
858	Hydrogen_Bond_Donor_Count	0
2734227	Isotope_Atom_Count	0
549253	Isotope_Atom_Count	0
146679386	Hydrogen_Bond_Donor_Count	12
10180799	Defined_Bond_Stereo_Count	0
65774	Rotatable_Bond_Count	1
5365589	Isotope_Atom_Count	0
10909430	Defined_Bond_Stereo_Count	0
163	Mono_Isotopic_Weight	909.17820443
10461508	Hydrogen_Bond_Donor_Count	2
5281070	Covalent_Unit_Count	2
9274	Undefined_Atom_Stereo_Count	0
11126361	Defined_Atom_Stereo_Count	2
5284537	Undefined_Atom_Stereo_Count	0
3745420	Undefined_Atom_Stereo_Count	0
57409556	Defined_Atom_Stereo_Count	3
65028	Rotatable_Bond_Count	8
6173	Tautomer_Count	1
71517700	Isotope_Atom_Count	0
12596294	Defined_Atom_Stereo_Count	0
9256	Non-hydrogen_Atom_Count	5
138005	Isotope_Atom_Count	0
86488	Structure_Complexity	321
5702161	TPSA	93
101755686	Molecular_Weight	978.7
803776	Isotope_Atom_Count	0
6398969	Isotope_Atom_Count	0
447534	Molecular_Weight	229.17
46934729	Exact_Mass	264.10111102
13562	Covalent_Unit_Count	1
28327	Exact_Mass	490.0846756
4317	Defined_Atom_Stereo_Count	0
19367743	Isotope_Atom_Count	0
73742	Defined_Atom_Stereo_Count	0
53766038	TPSA	38.7
5363234	Structure_Complexity	362
134338399	Covalent_Unit_Count	1
84647732	Non-hydrogen_Atom_Count	8
68547	Hydrogen_Bond_Acceptor_Count	5
15130827	Rotatable_Bond_Count	6
35378	Covalent_Unit_Count	1
5479494	TPSA	169
559740	Defined_Bond_Stereo_Count	0
38260	Structure_Complexity	977
439950	Defined_Atom_Stereo_Count	0
3528	Exact_Mass	670.42333957
71311382	Total_Formal_Charge	0
126968519	Undefined_Atom_Stereo_Count	1
15457	Isotope_Atom_Count	0
20498	Total_Formal_Charge	0
10887857	Covalent_Unit_Count	1
9423	Total_Formal_Charge	0
7021	Undefined_Bond_Stereo_Count	1
1596	Total_Formal_Charge	0
68740500	Structure_Complexity	248
54742567	Exact_Mass	175.02426294
117217480	Exact_Mass	114.042927438
54037464	Undefined_Atom_Stereo_Count	0
3033968	Hydrogen_Bond_Donor_Count	1
6971047	Defined_Bond_Stereo_Count	0
10202492	Undefined_Bond_Stereo_Count	0
131698425	Exact_Mass	184.08849508
520902	Non-hydrogen_Atom_Count	12
10723	Total_Formal_Charge	0
66026334	Non-hydrogen_Atom_Count	8
10129921	Mono_Isotopic_Weight	111.068413911
11511	Isotope_Atom_Count	0
6918249	Rotatable_Bond_Count	1
135565940	TPSA	66.8
398729	TPSA	50.6
162681	TPSA	99.1
6116	Isotope_Atom_Count	0
7020094	Rotatable_Bond_Count	7
151115	Defined_Bond_Stereo_Count	0
65578	Covalent_Unit_Count	1
22049997	Exact_Mass	476.05471
26859	Exact_Mass	275.16337692
3853591	Mono_Isotopic_Weight	191.01917756
94744	TPSA	63.3
10301	Defined_Bond_Stereo_Count	0
5564	Rotatable_Bond_Count	2
102248370	Non-hydrogen_Atom_Count	23
12302695	Hydrogen_Bond_Donor_Count	8
705856	Undefined_Atom_Stereo_Count	0
533519	Undefined_Atom_Stereo_Count	1
15908	Mono_Isotopic_Weight	155.142247555
58604354	Undefined_Atom_Stereo_Count	2
54340209	Covalent_Unit_Count	1
73351	Exact_Mass	278.96496419
10271	Non-hydrogen_Atom_Count	16
6871	Molecular_Weight	216.23
628397	Structure_Complexity	344
11664966	Isotope_Atom_Count	0
11511	Hydrogen_Bond_Donor_Count	0
71460852	Covalent_Unit_Count	1
66602	Defined_Atom_Stereo_Count	0
61081	Isotope_Atom_Count	0
123892631	Covalent_Unit_Count	1
749	Mono_Isotopic_Weight	434.23113938
11553369	Covalent_Unit_Count	2
817150	Undefined_Atom_Stereo_Count	0
5281006	Total_Formal_Charge	0
87446	Tautomer_Count	14
6328682	Structure_Complexity	313
35405	Defined_Atom_Stereo_Count	0
23236224	Defined_Bond_Stereo_Count	0
81445	Rotatable_Bond_Count	0
23696271	Isotope_Atom_Count	0
67512	Rotatable_Bond_Count	0
19816937	Hydrogen_Bond_Donor_Count	2
5323974	TPSA	50.7
3400822	Structure_Complexity	148
6917715	TPSA	37.3
524236	Structure_Complexity	70.8
34697	Non-hydrogen_Atom_Count	27
135411	Exact_Mass	398.18819469
5468	Mono_Isotopic_Weight	260.05071541
10196873	Non-hydrogen_Atom_Count	43
89418505	Undefined_Bond_Stereo_Count	0
9948102	Defined_Bond_Stereo_Count	0
968609	Exact_Mass	336.06023472
853433	Hydrogen_Bond_Donor_Count	1
6929	Structure_Complexity	223
45267632	Non-hydrogen_Atom_Count	33
448812	Covalent_Unit_Count	1
474265	TPSA	67.7
53856650	Total_Formal_Charge	0
101250074	Undefined_Bond_Stereo_Count	0
6918335	Structure_Complexity	1280
35492	XLogP3-AA	4.2
5209985	Rotatable_Bond_Count	4
60613	Hydrogen_Bond_Donor_Count	4
21024469	Rotatable_Bond_Count	0
21464101	Defined_Bond_Stereo_Count	0
234735	Undefined_Bond_Stereo_Count	0
58206428	Isotope_Atom_Count	0
17930355	Isotope_Atom_Count	0
89578803	TPSA	9.2
69021	Total_Formal_Charge	0
85538	Hydrogen_Bond_Donor_Count	2
5877292	Molecular_Weight	190.24
42610	Mono_Isotopic_Weight	347.14561886
154392753	Undefined_Atom_Stereo_Count	0
6857537	Tautomer_Count	1
45055378	Non-hydrogen_Atom_Count	26
701651	TPSA	58
20823386	Covalent_Unit_Count	1
12589332	Isotope_Atom_Count	0
8160	Hydrogen_Bond_Acceptor_Count	3
55288485	Total_Formal_Charge	0
130153178	Structure_Complexity	126
327044	Defined_Bond_Stereo_Count	0
15352	Tautomer_Count	1
10953489	Molecular_Weight	124.09
1993	Undefined_Bond_Stereo_Count	0
53908	Exact_Mass	308.0903253
2097	Undefined_Bond_Stereo_Count	0
53456	TPSA	87.1
6097043	Defined_Bond_Stereo_Count	0
25137678	TPSA	18.5
31097	Hydrogen_Bond_Donor_Count	1
34338	Isotope_Atom_Count	0
44562492	Rotatable_Bond_Count	3
6436223	Hydrogen_Bond_Donor_Count	4
23687810	TPSA	53
12314510	Undefined_Bond_Stereo_Count	0
39985	Tautomer_Count	9
135854412	Undefined_Bond_Stereo_Count	0
13490845	Undefined_Bond_Stereo_Count	0
16141	Hydrogen_Bond_Donor_Count	0
68366899	Structure_Complexity	382
5312137	Total_Formal_Charge	0
86566	Undefined_Bond_Stereo_Count	0
565106	Isotope_Atom_Count	0
39801	Undefined_Atom_Stereo_Count	0
4163	Covalent_Unit_Count	1
73759759	Isotope_Atom_Count	0
14534553	Hydrogen_Bond_Donor_Count	2
10193369	Total_Formal_Charge	0
122411051	Rotatable_Bond_Count	12
101915880	Total_Formal_Charge	0
16735405	Rotatable_Bond_Count	12
8579	TPSA	49.3
135539121	Total_Formal_Charge	0
90470403	Non-hydrogen_Atom_Count	13
20821294	Covalent_Unit_Count	1
132274667	Undefined_Atom_Stereo_Count	1
11741	TPSA	94.6
136247302	Exact_Mass	391.262362685
142044455	Molecular_Weight	108.18
118984450	Exact_Mass	5805.6443599
3032818	XLogP3	3.1
23978	Mono_Isotopic_Weight	62.929597
23274061	Undefined_Bond_Stereo_Count	0
68942	Undefined_Atom_Stereo_Count	0
10034060	TPSA	515
8285	Non-hydrogen_Atom_Count	9
369401	Rotatable_Bond_Count	0
88867195	Non-hydrogen_Atom_Count	8
70789197	Total_Formal_Charge	0
22463	Exact_Mass	350.04352203
21021478	Hydrogen_Bond_Donor_Count	1
8779	Isotope_Atom_Count	0
9995236	Isotope_Atom_Count	0
2901	Isotope_Atom_Count	0
140560	Tautomer_Count	1
16760139	Defined_Bond_Stereo_Count	0
565471	Mono_Isotopic_Weight	168.115029749
12285869	Hydrogen_Bond_Acceptor_Count	6
28459	Rotatable_Bond_Count	7
21868057	Molecular_Weight	96.17
45270802	Isotope_Atom_Count	0
49057	XLogP3-AA	3.8
57417608	Isotope_Atom_Count	0
6436860	Hydrogen_Bond_Donor_Count	1
44588964	Undefined_Bond_Stereo_Count	0
299882	Rotatable_Bond_Count	0
14151226	Defined_Bond_Stereo_Count	0
14246795	Structure_Complexity	124
58902739	Undefined_Atom_Stereo_Count	1
31209	Structure_Complexity	199
72732	Covalent_Unit_Count	1
9918581	Isotope_Atom_Count	0
44838	Defined_Atom_Stereo_Count	0
53345582	TPSA	69.6
70684298	Hydrogen_Bond_Acceptor_Count	4
101544	Non-hydrogen_Atom_Count	21
444655	Molecular_Weight	121.16
15013749	Molecular_Weight	545.7
14065290	Exact_Mass	112.063662883
15295	Exact_Mass	158.01328108
48384	Structure_Complexity	242
11154555	Undefined_Bond_Stereo_Count	0
11687	Non-hydrogen_Atom_Count	25
165609608	Exact_Mass	112.088815002
9837124	TPSA	132
57057056	Molecular_Weight	116.16
10197660	Structure_Complexity	139
156284	Defined_Atom_Stereo_Count	3
11319223	Structure_Complexity	691
11224214	Molecular_Weight	431.5
40030	Defined_Bond_Stereo_Count	0
41377	Total_Formal_Charge	0
101100163	Undefined_Bond_Stereo_Count	0
5281771	TPSA	324
3081386	Rotatable_Bond_Count	11
27244	XLogP3	2.6
87646	TPSA	20.2
5388937	XLogP3-AA	4.2
693959	XLogP3-AA	2.9
105000	Isotope_Atom_Count	0
19738571	Non-hydrogen_Atom_Count	7
20426877	Undefined_Atom_Stereo_Count	2
153884978	XLogP3-AA	0.8
5978	TPSA	171
5369258	Defined_Bond_Stereo_Count	1
145971	Isotope_Atom_Count	0
66537	Non-hydrogen_Atom_Count	16
92866	Undefined_Atom_Stereo_Count	1
6610	Tautomer_Count	4
137203329	Structure_Complexity	205
47471	Total_Formal_Charge	0
151243	Rotatable_Bond_Count	3
137118	Undefined_Atom_Stereo_Count	0
9852904	Structure_Complexity	1160
90473211	Non-hydrogen_Atom_Count	24
13253262	TPSA	29.6
57392611	Undefined_Bond_Stereo_Count	0
180504	Rotatable_Bond_Count	0
19471	XLogP3-AA	0.1
8411	Exact_Mass	244.121177757
62232603	XLogP3-AA	0
7182	Exact_Mass	209.06880783
10047141	Undefined_Bond_Stereo_Count	0
59874134	Isotope_Atom_Count	0
8133	Defined_Bond_Stereo_Count	0
517637	Non-hydrogen_Atom_Count	21
14086017	Isotope_Atom_Count	0
42108	Rotatable_Bond_Count	4
65955	Tautomer_Count	6
146701269	Rotatable_Bond_Count	1
53432675	Isotope_Atom_Count	0
19965	Undefined_Atom_Stereo_Count	0
84	Undefined_Atom_Stereo_Count	6
12901	Defined_Atom_Stereo_Count	0
21322	Tautomer_Count	2
16412	TPSA	28.3
37720	TPSA	356
359	Covalent_Unit_Count	1
529	Non-hydrogen_Atom_Count	9
107526	Total_Formal_Charge	0
6675	TPSA	153
132082520	Molecular_Weight	108.14
60873	Defined_Bond_Stereo_Count	0
57242	TPSA	55
124514	Tautomer_Count	4
146157955	Rotatable_Bond_Count	8
6420039	Non-hydrogen_Atom_Count	21
3042	Hydrogen_Bond_Donor_Count	0
37524	Hydrogen_Bond_Donor_Count	2
54466147	TPSA	29.5
15004	Hydrogen_Bond_Acceptor_Count	5
11779028	Rotatable_Bond_Count	2
192627	Mono_Isotopic_Weight	289.13140809
63624	TPSA	90.8
8843	Mono_Isotopic_Weight	152.120115130
8924	Exact_Mass	215.236147938
57503849	Tautomer_Count	1
81890	Molecular_Weight	88.15
104755	Undefined_Bond_Stereo_Count	0
10964334	Hydrogen_Bond_Donor_Count	8
57318251	Isotope_Atom_Count	0
23661867	Hydrogen_Bond_Donor_Count	0
5748217	Hydrogen_Bond_Acceptor_Count	5
71458869	Defined_Atom_Stereo_Count	0
4545429	Hydrogen_Bond_Acceptor_Count	2
105101	Structure_Complexity	255
404291	Structure_Complexity	375
8063338	Mono_Isotopic_Weight	115.026943022
20722789	Exact_Mass	120.043596145
9650	Exact_Mass	260.11609238
48670	XLogP3-AA	0.5
57066209	Molecular_Weight	112.13
135458645	Defined_Bond_Stereo_Count	0
123767	Undefined_Bond_Stereo_Count	0
61431	Hydrogen_Bond_Donor_Count	0
289151	XLogP3-AA	5.1
11502188	XLogP3-AA	3.3
657306	Hydrogen_Bond_Acceptor_Count	4
285118	Hydrogen_Bond_Donor_Count	0
3694035	Exact_Mass	107.048347172
54677470	Molecular_Weight	351.4
5497143	Covalent_Unit_Count	1
524681	Defined_Atom_Stereo_Count	0
20067437	Molecular_Weight	113.11
19543	Defined_Atom_Stereo_Count	0
135705228	Hydrogen_Bond_Donor_Count	8
68745835	Undefined_Atom_Stereo_Count	0
41020	Total_Formal_Charge	0
111727	Hydrogen_Bond_Acceptor_Count	3
4569	Hydrogen_Bond_Acceptor_Count	15
68022407	Mono_Isotopic_Weight	112.063662883
84878	Rotatable_Bond_Count	0
12560918	Mono_Isotopic_Weight	100.052429494
9941306	Hydrogen_Bond_Donor_Count	12
10975462	Rotatable_Bond_Count	5
46891563	Total_Formal_Charge	0
5373773	Isotope_Atom_Count	0
22224184	Total_Formal_Charge	0
73947328	Exact_Mass	179.07937252
5206	XLogP3-AA	2.8
74089	Non-hydrogen_Atom_Count	8
10994	TPSA	47.6
129631271	Hydrogen_Bond_Donor_Count	2
299643	Undefined_Bond_Stereo_Count	0
4695	Undefined_Bond_Stereo_Count	0
56928061	TPSA	272
6757	Undefined_Atom_Stereo_Count	0
10271	Total_Formal_Charge	0
68682560	TPSA	128
9924495	Molecular_Weight	349.4
369373	Exact_Mass	348.25118886
36552	Exact_Mass	427.05079224
5940153	Undefined_Bond_Stereo_Count	0
5312115	Undefined_Atom_Stereo_Count	0
9845622	Total_Formal_Charge	0
4793	Hydrogen_Bond_Acceptor_Count	6
44134885	Mono_Isotopic_Weight	373.06243472
521196	Defined_Atom_Stereo_Count	0
91412269	Non-hydrogen_Atom_Count	17
9859692	Defined_Atom_Stereo_Count	0
14066	Structure_Complexity	59.1
11636	Total_Formal_Charge	0
54149606	Defined_Bond_Stereo_Count	0
129747104	Defined_Bond_Stereo_Count	0
448388	Undefined_Bond_Stereo_Count	0
74441500	Isotope_Atom_Count	0
8599	Structure_Complexity	583
11859	Isotope_Atom_Count	0
11501341	Undefined_Atom_Stereo_Count	0
9874175	Mono_Isotopic_Weight	640.36247064
88155838	XLogP3-AA	5.1
5373773	Hydrogen_Bond_Donor_Count	0
596336	Rotatable_Bond_Count	2
44629805	Covalent_Unit_Count	2
158432	Exact_Mass	313.03348495
675239	Undefined_Atom_Stereo_Count	0
76714	Covalent_Unit_Count	1
166775	Mono_Isotopic_Weight	666.22185834
129653817	Structure_Complexity	98.2
131845588	Defined_Atom_Stereo_Count	0
54014389	Mono_Isotopic_Weight	92.037448136
32737	Isotope_Atom_Count	0
5288365	Non-hydrogen_Atom_Count	18
54688683	Non-hydrogen_Atom_Count	45
55255285	Defined_Bond_Stereo_Count	0
5241	Tautomer_Count	1
123809	Undefined_Atom_Stereo_Count	1
25008767	Hydrogen_Bond_Donor_Count	3
131674917	Total_Formal_Charge	0
21903	Hydrogen_Bond_Acceptor_Count	3
24777	Tautomer_Count	1
57978852	Total_Formal_Charge	0
70697627	Exact_Mass	1457.7262706
5964319	TPSA	76
136445	Exact_Mass	102.104465066
15739356	Undefined_Atom_Stereo_Count	0
19073515	Undefined_Bond_Stereo_Count	0
71311382	Hydrogen_Bond_Donor_Count	0
2763078	Isotope_Atom_Count	0
123831	Defined_Bond_Stereo_Count	0
5944	TPSA	52.6
2370	TPSA	52.3
163646941	Exact_Mass	101.084063974
9330	XLogP3	2.6
91810695	Total_Formal_Charge	0
6256685	Rotatable_Bond_Count	12
12336279	Hydrogen_Bond_Donor_Count	1
2010	Isotope_Atom_Count	0
57674785	Rotatable_Bond_Count	2
8752	Mono_Isotopic_Weight	396.0701697
83859	Total_Formal_Charge	0
60154328	Defined_Atom_Stereo_Count	0
20387231	Rotatable_Bond_Count	2
53914733	Rotatable_Bond_Count	0
443979	Molecular_Weight	388.5
2572037	Hydrogen_Bond_Acceptor_Count	3
40273	Defined_Bond_Stereo_Count	0
54686350	Isotope_Atom_Count	0
254081	Defined_Bond_Stereo_Count	0
14626857	Covalent_Unit_Count	1
74861	TPSA	0
139592645	Exact_Mass	298.04773803
59792626	Hydrogen_Bond_Donor_Count	0
25200298	Defined_Bond_Stereo_Count	4
62334	Molecular_Weight	198.30
19137	Structure_Complexity	227
573419	TPSA	34.9
131668531	Structure_Complexity	1850
115811143	Mono_Isotopic_Weight	110.073164938
11106352	Undefined_Bond_Stereo_Count	0
642801	Isotope_Atom_Count	0
22174896	Defined_Atom_Stereo_Count	0
22160812	Defined_Bond_Stereo_Count	0
40024	Mono_Isotopic_Weight	296.12598835
78847	TPSA	81.6
857	Total_Formal_Charge	0
154404053	Undefined_Bond_Stereo_Count	0
35020890	TPSA	74.6
405298	Mono_Isotopic_Weight	366.08766640
54285963	XLogP3-AA	3.6
6436079	XLogP3	6.2
57402175	Isotope_Atom_Count	0
162291	TPSA	52.6
2826718	Defined_Atom_Stereo_Count	14
15741339	Covalent_Unit_Count	1
5361467	Non-hydrogen_Atom_Count	35
7083	Non-hydrogen_Atom_Count	20
23541	Hydrogen_Bond_Acceptor_Count	4
4971	Isotope_Atom_Count	0
36572	Hydrogen_Bond_Acceptor_Count	4
8593	Undefined_Atom_Stereo_Count	0
68109743	Hydrogen_Bond_Acceptor_Count	6
11256720	TPSA	70.7
5681	Tautomer_Count	1
188583	Covalent_Unit_Count	1
11335094	Exact_Mass	284.16237386
665387	Hydrogen_Bond_Donor_Count	1
53631526	Exact_Mass	113.047678466
39665	Isotope_Atom_Count	0
10675	Hydrogen_Bond_Acceptor_Count	4
14205677	Defined_Bond_Stereo_Count	0
85500	Undefined_Bond_Stereo_Count	0
8557	Covalent_Unit_Count	1
54288465	Structure_Complexity	87.7
23668195	Non-hydrogen_Atom_Count	5
129796414	Molecular_Weight	177.22
3593	Rotatable_Bond_Count	2
3611	Rotatable_Bond_Count	1
42665	Covalent_Unit_Count	1
52920469	Mono_Isotopic_Weight	441.1138572
11783	Covalent_Unit_Count	1
524629	Undefined_Atom_Stereo_Count	2
4518	Hydrogen_Bond_Donor_Count	2
77998	Covalent_Unit_Count	2
4720	Defined_Bond_Stereo_Count	0
12200728	Defined_Bond_Stereo_Count	0
46942	Mono_Isotopic_Weight	204.220163521
141365	Hydrogen_Bond_Donor_Count	1
91031492	TPSA	59.3
18989672	Hydrogen_Bond_Acceptor_Count	0
13087266	Structure_Complexity	64.6
6096207	Covalent_Unit_Count	1
23681559	TPSA	72.8
9576891	Hydrogen_Bond_Acceptor_Count	5
6451464	Covalent_Unit_Count	1
563049	Hydrogen_Bond_Donor_Count	2
19633	Defined_Bond_Stereo_Count	0
12769779	Exact_Mass	127.06088375
37464	Hydrogen_Bond_Donor_Count	2
62416539	Exact_Mass	110.084398327
994872	Hydrogen_Bond_Donor_Count	2
549318	Structure_Complexity	105
115348	Isotope_Atom_Count	0
12303662	Defined_Bond_Stereo_Count	0
53856650	Hydrogen_Bond_Donor_Count	0
82891	Undefined_Atom_Stereo_Count	0
3040551	Covalent_Unit_Count	2
23695850	Isotope_Atom_Count	0
61199	Total_Formal_Charge	0
23187765	Defined_Atom_Stereo_Count	0
40469421	Hydrogen_Bond_Donor_Count	2
102233552	Total_Formal_Charge	0
135707781	TPSA	240
53380818	Covalent_Unit_Count	1
11069215	Undefined_Bond_Stereo_Count	0
123892631	Undefined_Atom_Stereo_Count	1
27991	Tautomer_Count	1001
123661139	Undefined_Atom_Stereo_Count	2
115034	Undefined_Atom_Stereo_Count	0
4544	Isotope_Atom_Count	0
16170150	Exact_Mass	1882.07388791
2769656	Molecular_Weight	106.05
8283	TPSA	20.2
23180086	Undefined_Bond_Stereo_Count	0
8628	Defined_Atom_Stereo_Count	0
87592747	Mono_Isotopic_Weight	113.084063974
54712148	Molecular_Weight	429.5
10523409	Structure_Complexity	388
88953	Rotatable_Bond_Count	7
16667738	Rotatable_Bond_Count	11
124918602	Hydrogen_Bond_Acceptor_Count	6
67125	Molecular_Weight	282.34
158201	Rotatable_Bond_Count	2
54368096	Molecular_Weight	100.16
24721356	Structure_Complexity	2960
2723704	Mono_Isotopic_Weight	90.02516937
24848343	Rotatable_Bond_Count	2
9866186	Total_Formal_Charge	0
77288	Mono_Isotopic_Weight	174.14422188
70608	Defined_Bond_Stereo_Count	0
14517	Mono_Isotopic_Weight	121.032777294
31060	Exact_Mass	409.0847635
43860	Structure_Complexity	663
137268	Exact_Mass	103.042199164
101450	Molecular_Weight	196.12
2155	Exact_Mass	100.00951931
91742	Defined_Atom_Stereo_Count	0
86751	Exact_Mass	158.167065321
13401682	TPSA	33
85963	Covalent_Unit_Count	1
18711391	Molecular_Weight	122.21
2647	Exact_Mass	365.10454189
57396625	Defined_Atom_Stereo_Count	0
5363095	Undefined_Atom_Stereo_Count	0
11173	Hydrogen_Bond_Acceptor_Count	1
8411	TPSA	70.5
20139920	Defined_Atom_Stereo_Count	0
40703	Hydrogen_Bond_Donor_Count	0
126968495	Undefined_Bond_Stereo_Count	2
8593	Defined_Atom_Stereo_Count	0
517383	Exact_Mass	264.09736792
58014	Hydrogen_Bond_Acceptor_Count	8
16231	Defined_Bond_Stereo_Count	0
17981364	TPSA	66.7
20528	Structure_Complexity	395
111089	Hydrogen_Bond_Acceptor_Count	1
36312	Tautomer_Count	1
42302	TPSA	46.2
123373475	Undefined_Bond_Stereo_Count	0
91329391	Hydrogen_Bond_Acceptor_Count	1
91185266	Mono_Isotopic_Weight	114.068079557
46936871	Defined_Atom_Stereo_Count	5
99894	Rotatable_Bond_Count	2
6553	Molecular_Weight	201.89
129395999	Undefined_Bond_Stereo_Count	0
19078026	Undefined_Atom_Stereo_Count	2
18699327	Isotope_Atom_Count	0
17799937	Molecular_Weight	98.15
70610	Undefined_Atom_Stereo_Count	0
1333	Undefined_Bond_Stereo_Count	0
68297	XLogP3-AA	2.8
76292	Undefined_Atom_Stereo_Count	0
5321318	Hydrogen_Bond_Donor_Count	1
62436	Structure_Complexity	230
91694	Undefined_Bond_Stereo_Count	0
6399650	Covalent_Unit_Count	1
923638	Structure_Complexity	400
825784	Exact_Mass	248.04119
248703	Molecular_Weight	248.28
123832392	Hydrogen_Bond_Donor_Count	0
7721	Total_Formal_Charge	0
125409	Defined_Atom_Stereo_Count	4
146158432	Exact_Mass	531.24683176
11548000	Defined_Atom_Stereo_Count	0
28700	Total_Formal_Charge	0
21407	Structure_Complexity	61.1
8411	Covalent_Unit_Count	1
5284542	Non-hydrogen_Atom_Count	19
8030	Hydrogen_Bond_Donor_Count	0
22022636	Molecular_Weight	86.14
59939847	Undefined_Atom_Stereo_Count	1
89068	Isotope_Atom_Count	0
90192	Rotatable_Bond_Count	11
5352771	Rotatable_Bond_Count	11
12731	Structure_Complexity	19.9
4374	Molecular_Weight	179.26
4928	Mono_Isotopic_Weight	225.15896025
58223444	Hydrogen_Bond_Acceptor_Count	2
71309908	Hydrogen_Bond_Acceptor_Count	6
10996	Covalent_Unit_Count	1
68490094	Total_Formal_Charge	0
546946	Structure_Complexity	52
15973	Defined_Atom_Stereo_Count	0
501640	Defined_Bond_Stereo_Count	0
87096	Undefined_Atom_Stereo_Count	0
6420040	Undefined_Atom_Stereo_Count	0
28993	Isotope_Atom_Count	0
143500	Hydrogen_Bond_Acceptor_Count	1
443881	Defined_Atom_Stereo_Count	6
15482356	Non-hydrogen_Atom_Count	8
75931	Mono_Isotopic_Weight	400.287849157
40701	TPSA	9.2
62705861	Non-hydrogen_Atom_Count	35
101001097	Structure_Complexity	770
60992	Hydrogen_Bond_Acceptor_Count	2
26470525	Molecular_Weight	342.30
14642	Exact_Mass	250.15689456
12521030	Total_Formal_Charge	0
57397970	Mono_Isotopic_Weight	510.19706254
10019998	Defined_Bond_Stereo_Count	0
26235	Non-hydrogen_Atom_Count	21
170254	Isotope_Atom_Count	0
56841596	Undefined_Atom_Stereo_Count	7
78858	Isotope_Atom_Count	0
11370864	Tautomer_Count	1
166450050	Defined_Atom_Stereo_Count	0
63390	Molecular_Weight	295.4
44571098	Molecular_Weight	462.9
34170	Exact_Mass	150.068079557
55287849	Molecular_Weight	99.13
16760328	Rotatable_Bond_Count	13
458821	Hydrogen_Bond_Donor_Count	4
154404053	Defined_Atom_Stereo_Count	0
138199	Mono_Isotopic_Weight	86.036779430
11833	Molecular_Weight	160.17
19777659	Covalent_Unit_Count	1
44556162	Exact_Mass	676.30972162
11908488	TPSA	190
135430308	Defined_Atom_Stereo_Count	0
53875238	Undefined_Atom_Stereo_Count	1
64819	Non-hydrogen_Atom_Count	85
139062655	Covalent_Unit_Count	4
67126	Defined_Bond_Stereo_Count	0
95890	Hydrogen_Bond_Donor_Count	0
18546557	Hydrogen_Bond_Acceptor_Count	4
25023853	Covalent_Unit_Count	1
4809	XLogP3-AA	2.8
19657	Undefined_Atom_Stereo_Count	1
18	Undefined_Bond_Stereo_Count	0
12487262	Hydrogen_Bond_Donor_Count	1
6442439	Isotope_Atom_Count	0
20690188	Defined_Bond_Stereo_Count	0
46906319	Exact_Mass	325.14780704
580518	Structure_Complexity	265
156599225	Rotatable_Bond_Count	10
70851	Undefined_Bond_Stereo_Count	0
638081	Structure_Complexity	121
910268	Non-hydrogen_Atom_Count	19
19430196	Hydrogen_Bond_Donor_Count	0
81844	TPSA	17.1
67564795	Defined_Atom_Stereo_Count	0
3033012	TPSA	37.3
53232451	TPSA	102
11080426	Mono_Isotopic_Weight	299.17193023
119083374	Rotatable_Bond_Count	0
97865	Defined_Atom_Stereo_Count	0
6361	Hydrogen_Bond_Acceptor_Count	0
12940550	Rotatable_Bond_Count	2
54585	Molecular_Weight	357.32
94865125	Defined_Atom_Stereo_Count	16
23663404	Total_Formal_Charge	0
449107	XLogP3-AA	4.9
13138	Exact_Mass	218.179952478
83774	Tautomer_Count	1
11409972	Mono_Isotopic_Weight	529.24130771
15721166	Undefined_Bond_Stereo_Count	0
59018485	Undefined_Bond_Stereo_Count	0
15208461	XLogP3-AA	0.1
5375	TPSA	171
20054964	Undefined_Atom_Stereo_Count	1
21954793	Total_Formal_Charge	0
9919265	Hydrogen_Bond_Donor_Count	4
64930	Hydrogen_Bond_Donor_Count	2
10061	Non-hydrogen_Atom_Count	28
135554980	Defined_Atom_Stereo_Count	0
23394	Undefined_Bond_Stereo_Count	0
65510	Molecular_Weight	262.65
92114	Hydrogen_Bond_Donor_Count	0
25190761	Structure_Complexity	417
5611	Non-hydrogen_Atom_Count	22
66016	XLogP3-AA	1.3
53402099	Defined_Bond_Stereo_Count	0
7817	Hydrogen_Bond_Donor_Count	2
11827	Hydrogen_Bond_Donor_Count	1
24518	Hydrogen_Bond_Donor_Count	0
65522	Hydrogen_Bond_Acceptor_Count	3
65583	Molecular_Weight	422.3
3613700	Total_Formal_Charge	0
12278364	Covalent_Unit_Count	1
15951489	Isotope_Atom_Count	0
21120209	Exact_Mass	222.0587557
643835	Exact_Mass	84.093900383
334657	Structure_Complexity	180
73334	Isotope_Atom_Count	0
198822	TPSA	107
1338	Defined_Bond_Stereo_Count	0
5462508	TPSA	61.7
58781694	Hydrogen_Bond_Acceptor_Count	2
77999	Exact_Mass	357.11471265
159871	Undefined_Atom_Stereo_Count	1
147201521	Molecular_Weight	113.20
56679001	Structure_Complexity	586
8228	Undefined_Bond_Stereo_Count	0
66792573	Molecular_Weight	101.15
5281078	Mono_Isotopic_Weight	433.21005233
161091	Undefined_Atom_Stereo_Count	0
141360553	Undefined_Atom_Stereo_Count	2
44226825	Mono_Isotopic_Weight	306.16588839
17997105	Defined_Atom_Stereo_Count	0
79441	Covalent_Unit_Count	1
15639205	Hydrogen_Bond_Acceptor_Count	2
41209	Isotope_Atom_Count	0
123909	Hydrogen_Bond_Acceptor_Count	24
50878566	Molecular_Weight	306.4
73278	Covalent_Unit_Count	1
3711	Hydrogen_Bond_Acceptor_Count	5
10510810	Undefined_Bond_Stereo_Count	0
11625386	TPSA	72.7
22224184	Hydrogen_Bond_Donor_Count	0
57465453	XLogP3-AA	1
44599828	Hydrogen_Bond_Acceptor_Count	4
59174488	Covalent_Unit_Count	1
12452068	Molecular_Weight	108.14
44120162	Defined_Bond_Stereo_Count	0
56841897	Covalent_Unit_Count	1
69781756	Defined_Atom_Stereo_Count	0
148198	Defined_Atom_Stereo_Count	0
5476374	Defined_Bond_Stereo_Count	0
198231	Rotatable_Bond_Count	3
24883	Defined_Bond_Stereo_Count	0
20136721	Hydrogen_Bond_Donor_Count	0
247469	Covalent_Unit_Count	1
11749	Rotatable_Bond_Count	1
74570	Total_Formal_Charge	0
66083	Covalent_Unit_Count	1
68081	Defined_Bond_Stereo_Count	0
53710320	XLogP3-AA	0.7
22135	Defined_Atom_Stereo_Count	0
5311333	Molecular_Weight	1111.3
68072	Hydrogen_Bond_Acceptor_Count	4
6677	Structure_Complexity	818
165295	Defined_Bond_Stereo_Count	0
20339874	Undefined_Bond_Stereo_Count	0
135398653	Mono_Isotopic_Weight	239.10183929
21501	Exact_Mass	163.038176411
2188	Exact_Mass	340.9066861
23380334	Total_Formal_Charge	0
2073	Structure_Complexity	570
9811353	Undefined_Atom_Stereo_Count	0
443943	Exact_Mass	454.1922300
638552	TPSA	33
139375	Defined_Atom_Stereo_Count	0
135565635	Rotatable_Bond_Count	2
22260381	Hydrogen_Bond_Acceptor_Count	3
2723601	Rotatable_Bond_Count	0
43853	Isotope_Atom_Count	0
7971	Mono_Isotopic_Weight	95.037113783
4454009	Defined_Bond_Stereo_Count	0
39727	Hydrogen_Bond_Acceptor_Count	2
46216142	Hydrogen_Bond_Acceptor_Count	8
7319	Isotope_Atom_Count	0
122445050	TPSA	116
63991	Hydrogen_Bond_Acceptor_Count	5
4659387	TPSA	99.9
611370	Hydrogen_Bond_Acceptor_Count	5
378348	Rotatable_Bond_Count	0
60975	Molecular_Weight	265.78
4496	Structure_Complexity	480
24879665	Defined_Atom_Stereo_Count	8
44548149	TPSA	116
23532162	Hydrogen_Bond_Acceptor_Count	1
157350	Rotatable_Bond_Count	0
11314197	Hydrogen_Bond_Donor_Count	1
44126083	Molecular_Weight	391.5
1268252	Molecular_Weight	184.2
10964421	XLogP3	1.6
101924284	Total_Formal_Charge	0
157857	Mono_Isotopic_Weight	280.92511883
31260	Hydrogen_Bond_Donor_Count	1
9796408	Undefined_Bond_Stereo_Count	0
136892	Covalent_Unit_Count	1
10219384	Undefined_Atom_Stereo_Count	0
53689772	Undefined_Atom_Stereo_Count	0
68891	Mono_Isotopic_Weight	408.019911
12431565	Mono_Isotopic_Weight	98.073164938
9579050	Rotatable_Bond_Count	4
34461	TPSA	67.6
266742	Structure_Complexity	104
53249535	Exact_Mass	364.16343649
10813969	Defined_Bond_Stereo_Count	0
909	Defined_Bond_Stereo_Count	0
54568416	Mono_Isotopic_Weight	113.084063974
115266	TPSA	37.3
51030901	Exact_Mass	446.14265630
164946845	Hydrogen_Bond_Acceptor_Count	19
114426	Mono_Isotopic_Weight	114.068079557
12309521	Exact_Mass	324.183778013
15188270	XLogP3-AA	0.6
31426	Exact_Mass	267.05315777
15480320	Undefined_Bond_Stereo_Count	0
45116668	Rotatable_Bond_Count	1
11761	Structure_Complexity	220
85557	Non-hydrogen_Atom_Count	14
10044	Exact_Mass	100.125200510
28506	Non-hydrogen_Atom_Count	16
15093812	Covalent_Unit_Count	1
3731	Isotope_Atom_Count	0
44442065	Hydrogen_Bond_Acceptor_Count	5
79314	TPSA	60.2
151446	Hydrogen_Bond_Donor_Count	5
116841780	Non-hydrogen_Atom_Count	8
11916	Rotatable_Bond_Count	1
45120389	Undefined_Atom_Stereo_Count	2
566433	TPSA	26.3
2227	Defined_Atom_Stereo_Count	0
71268957	Molecular_Weight	541.7
1882	Non-hydrogen_Atom_Count	16
3034285	XLogP3-AA	3.7
10701796	Defined_Atom_Stereo_Count	0
139341721	XLogP3-AA	1
4695	Defined_Atom_Stereo_Count	0
5786	Isotope_Atom_Count	0
87079617	Non-hydrogen_Atom_Count	8
337121	Defined_Bond_Stereo_Count	0
95934	Non-hydrogen_Atom_Count	22
10775424	Rotatable_Bond_Count	0
88212048	Covalent_Unit_Count	1
5462328	Covalent_Unit_Count	1
5355853	Rotatable_Bond_Count	7
11261	Rotatable_Bond_Count	2
22245467	TPSA	127
192925	Isotope_Atom_Count	0
91754	Rotatable_Bond_Count	5
5281080	TPSA	145
101928367	Covalent_Unit_Count	1
69061828	Mono_Isotopic_Weight	108.057514874
13785328	Rotatable_Bond_Count	7
441337	Hydrogen_Bond_Acceptor_Count	5
6266	Hydrogen_Bond_Donor_Count	0
76319	TPSA	26
5281706	Undefined_Bond_Stereo_Count	0
9960389	Molecular_Weight	603.1
83150	Undefined_Bond_Stereo_Count	0
85178	Molecular_Weight	337.6
11181837	XLogP3-AA	13.6
72665	Molecular_Weight	424.4
54686261	Structure_Complexity	569
67259543	Mono_Isotopic_Weight	109.016378338
3047795	Structure_Complexity	234
15273920	Defined_Bond_Stereo_Count	0
47297	Defined_Atom_Stereo_Count	0
81432	Undefined_Atom_Stereo_Count	0
95402	Hydrogen_Bond_Acceptor_Count	2
6917738	Isotope_Atom_Count	0
67541	Rotatable_Bond_Count	2
6445007	Tautomer_Count	1
14743	Exact_Mass	420.26644501
163940225	Non-hydrogen_Atom_Count	8
9917013	Structure_Complexity	1150
102752	Undefined_Atom_Stereo_Count	1
56673690	TPSA	108
4295	Defined_Atom_Stereo_Count	0
10493936	Hydrogen_Bond_Donor_Count	1
27909	Isotope_Atom_Count	0
688400	Undefined_Atom_Stereo_Count	0
138	Non-hydrogen_Atom_Count	8
9432	Total_Formal_Charge	0
6918653	Tautomer_Count	6
15575641	TPSA	41.6
21723	Defined_Bond_Stereo_Count	0
36879	Exact_Mass	190.07759887
5352539	Undefined_Atom_Stereo_Count	0
89951991	Hydrogen_Bond_Acceptor_Count	11
136091	Rotatable_Bond_Count	0
11480819	Hydrogen_Bond_Acceptor_Count	6
586083	XLogP3-AA	1.3
29742	Hydrogen_Bond_Donor_Count	2
5279171	Structure_Complexity	634
94154	Undefined_Atom_Stereo_Count	0
54726191	Hydrogen_Bond_Acceptor_Count	8
99342	TPSA	24.1
36560	Covalent_Unit_Count	2
75240	TPSA	38
10057444	Structure_Complexity	58.6
107971	Rotatable_Bond_Count	4
83975	Structure_Complexity	639
12256033	Covalent_Unit_Count	1
65937	Hydrogen_Bond_Donor_Count	2
91116427	Undefined_Atom_Stereo_Count	0
128832	Undefined_Atom_Stereo_Count	0
17424	Defined_Atom_Stereo_Count	0
161111	Exact_Mass	307.21811509
334102	XLogP3-AA	3.5
91439614	Defined_Atom_Stereo_Count	0
556487	Defined_Atom_Stereo_Count	0
6473973	Isotope_Atom_Count	0
14924951	Structure_Complexity	66.1
5543	Non-hydrogen_Atom_Count	16
2787	Hydrogen_Bond_Acceptor_Count	6
6604333	Isotope_Atom_Count	0
241419	Hydrogen_Bond_Acceptor_Count	4
444698	Rotatable_Bond_Count	4
64689	Tautomer_Count	16
186003	Isotope_Atom_Count	0
447362	Covalent_Unit_Count	1
11564168	Undefined_Bond_Stereo_Count	0
75989941	Hydrogen_Bond_Acceptor_Count	1
10461263	Defined_Bond_Stereo_Count	0
59398673	Structure_Complexity	147
68527	Covalent_Unit_Count	1
4713215	Rotatable_Bond_Count	0
2430	Total_Formal_Charge	0
12097423	Molecular_Weight	110.11
136183544	Rotatable_Bond_Count	4
1548953	Covalent_Unit_Count	1
84589	Rotatable_Bond_Count	15
67978393	Total_Formal_Charge	0
53689060	Undefined_Atom_Stereo_Count	0
101254309	Defined_Bond_Stereo_Count	0
5283739	Undefined_Bond_Stereo_Count	0
4521392	Hydrogen_Bond_Acceptor_Count	5
2724235	Total_Formal_Charge	0
57091294	Isotope_Atom_Count	0
3679	Covalent_Unit_Count	1
68057	Covalent_Unit_Count	1
75240	Rotatable_Bond_Count	1
85500	Defined_Atom_Stereo_Count	0
134694634	XLogP3-AA	6
69967	Undefined_Atom_Stereo_Count	0
54469425	XLogP3-AA	0.3
634470	Defined_Atom_Stereo_Count	0
133268464	Isotope_Atom_Count	0
4323	Defined_Bond_Stereo_Count	0
12178790	Hydrogen_Bond_Donor_Count	0
25200541	Defined_Bond_Stereo_Count	0
3598879	Hydrogen_Bond_Donor_Count	1
7371	Total_Formal_Charge	0
101711052	Defined_Atom_Stereo_Count	5
134735	Hydrogen_Bond_Donor_Count	0
56270	XLogP3	1.5
398675	Molecular_Weight	461.6
451187	Mono_Isotopic_Weight	174.131984
24214097	Total_Formal_Charge	0
61900360	Rotatable_Bond_Count	1
11583	TPSA	17.1
54493752	Molecular_Weight	93.13
6913588	Structure_Complexity	177
25875	Non-hydrogen_Atom_Count	22
13710589	Exact_Mass	78.01393598
522086	TPSA	20.2
20041648	Hydrogen_Bond_Donor_Count	1
8262	Undefined_Bond_Stereo_Count	0
441245	Structure_Complexity	197
22475863	TPSA	32.3
829	Isotope_Atom_Count	0
11837140	Defined_Bond_Stereo_Count	0
575893	TPSA	59.3
87212	TPSA	90.6
58488970	Exact_Mass	110.109550447
57767271	Undefined_Bond_Stereo_Count	0
15951489	Molecular_Weight	372.4
68129	XLogP3-AA	0
67828	XLogP3	2.2
7429	Defined_Atom_Stereo_Count	0
810229	Non-hydrogen_Atom_Count	23
98651	Non-hydrogen_Atom_Count	29
54697325	Total_Formal_Charge	0
22889103	Hydrogen_Bond_Donor_Count	1
4895	Structure_Complexity	827
3000667	Molecular_Weight	319.4
1329	Structure_Complexity	436
99058	Non-hydrogen_Atom_Count	16
282529	Rotatable_Bond_Count	0
21893333	Covalent_Unit_Count	1
78000	Defined_Atom_Stereo_Count	3
119380	Structure_Complexity	163
12211561	Isotope_Atom_Count	0
71584165	Exact_Mass	359.13036271
13973072	Covalent_Unit_Count	1
18469536	Hydrogen_Bond_Acceptor_Count	9
5282340	Hydrogen_Bond_Donor_Count	0
53846435	Exact_Mass	416.32904526
23683938	Exact_Mass	198.01403222
1242	Hydrogen_Bond_Donor_Count	3
11122050	Rotatable_Bond_Count	3
13611195	Mono_Isotopic_Weight	108.093900383
27872	Non-hydrogen_Atom_Count	31
9952446	Exact_Mass	392.15699200
101643292	Exact_Mass	523.88944278
31418	Defined_Atom_Stereo_Count	0
91301203	Isotope_Atom_Count	0
47491	Undefined_Bond_Stereo_Count	0
23635364	Total_Formal_Charge	0
21999609	Total_Formal_Charge	0
13049377	Exact_Mass	114.068079557
6637	Defined_Bond_Stereo_Count	0
54692950	TPSA	194
522636	Mono_Isotopic_Weight	346.14163842
10823	Structure_Complexity	61.4
67556876	Hydrogen_Bond_Acceptor_Count	3
44338774	XLogP3-AA	3.2
119097554	Total_Formal_Charge	0
6933312	Isotope_Atom_Count	0
75310475	Defined_Bond_Stereo_Count	0
10214378	Exact_Mass	86.036779430
69319	TPSA	14.4
111878	Tautomer_Count	1
72736	XLogP3-AA	4.7
168381	Defined_Atom_Stereo_Count	1
4118151	Structure_Complexity	292
12637622	Total_Formal_Charge	0
19016756	Undefined_Atom_Stereo_Count	0
104745	Tautomer_Count	1
549294	Covalent_Unit_Count	1
10198719	Mono_Isotopic_Weight	243.08301860
9584	Mono_Isotopic_Weight	111.048427358
133119249	Non-hydrogen_Atom_Count	12
1118	Rotatable_Bond_Count	0
12967	Exact_Mass	117.053826475
54685734	Rotatable_Bond_Count	2
715	Undefined_Bond_Stereo_Count	0
90757303	Hydrogen_Bond_Donor_Count	1
76092	Non-hydrogen_Atom_Count	11
18424867	Exact_Mass	101.022526347
5280970	Covalent_Unit_Count	1
1570	Isotope_Atom_Count	0
54682536	Hydrogen_Bond_Acceptor_Count	14
257761	Hydrogen_Bond_Acceptor_Count	7
87490405	Undefined_Atom_Stereo_Count	0
71777	Undefined_Bond_Stereo_Count	0
17354	TPSA	52
92154	Structure_Complexity	269
21889252	Defined_Bond_Stereo_Count	0
71751164	Undefined_Atom_Stereo_Count	0
12769779	TPSA	12
10459649	Structure_Complexity	957
46218908	Rotatable_Bond_Count	14
136591997	Non-hydrogen_Atom_Count	7
91143491	Exact_Mass	99.068413911
98043898	Mono_Isotopic_Weight	416.32904526
91700388	Isotope_Atom_Count	0
5817	Defined_Bond_Stereo_Count	0
1549	Exact_Mass	540.9567742
12702413	Molecular_Weight	180.20
129856713	Molecular_Weight	176.14
12328	Covalent_Unit_Count	1
164700	TPSA	32.3
68075820	Non-hydrogen_Atom_Count	8
22873	Rotatable_Bond_Count	10
41530	Defined_Bond_Stereo_Count	0
62708	Undefined_Bond_Stereo_Count	0
11656518	Covalent_Unit_Count	1
442866	Molecular_Weight	261.27
54680695	Isotope_Atom_Count	0
8698	Mono_Isotopic_Weight	178.099379685
59067341	Covalent_Unit_Count	1
1115	Undefined_Atom_Stereo_Count	9
11993	Tautomer_Count	1
65110	Hydrogen_Bond_Acceptor_Count	10
7058062	Total_Formal_Charge	0
1115	TPSA	190
75055	Defined_Atom_Stereo_Count	0
71306720	Defined_Atom_Stereo_Count	10
8566	Molecular_Weight	809.1
6918485	Tautomer_Count	2
101630832	Non-hydrogen_Atom_Count	26
395450	Rotatable_Bond_Count	5
6850791	Total_Formal_Charge	0
6896	Isotope_Atom_Count	0
86821	Undefined_Atom_Stereo_Count	9
5353510	Non-hydrogen_Atom_Count	25
2884	Structure_Complexity	1930
52159	Tautomer_Count	2
834999	Hydrogen_Bond_Acceptor_Count	6
101554	Exact_Mass	164.06847348
16095274	Covalent_Unit_Count	1
61661	Defined_Bond_Stereo_Count	0
19774	Undefined_Bond_Stereo_Count	0
643203	Undefined_Bond_Stereo_Count	0
446276	Non-hydrogen_Atom_Count	26
240373	Isotope_Atom_Count	0
6999987	Undefined_Bond_Stereo_Count	0
2039	Tautomer_Count	1
32429	Isotope_Atom_Count	0
572065	Covalent_Unit_Count	1
10086446	Hydrogen_Bond_Donor_Count	0
128882	Total_Formal_Charge	0
465585	Undefined_Atom_Stereo_Count	0
57395978	Covalent_Unit_Count	1
7570	Hydrogen_Bond_Acceptor_Count	4
62795	Exact_Mass	453.25152322
7617	Tautomer_Count	1
46228852	TPSA	135
3033825	Non-hydrogen_Atom_Count	21
12289749	Defined_Atom_Stereo_Count	0
59283	Undefined_Atom_Stereo_Count	0
22273548	Covalent_Unit_Count	1
1519	Undefined_Atom_Stereo_Count	4
3118	Undefined_Atom_Stereo_Count	0
101171	Molecular_Weight	114.14
92366	Defined_Atom_Stereo_Count	1
12820337	Defined_Atom_Stereo_Count	0
70447162	Hydrogen_Bond_Donor_Count	0
18998026	Defined_Bond_Stereo_Count	0
2243	Total_Formal_Charge	0
21326740	Hydrogen_Bond_Donor_Count	2
12056760	Molecular_Weight	418.28
48104	Structure_Complexity	276
59630221	XLogP3-AA	2.4
521962	Exact_Mass	110.109550447
18747	Tautomer_Count	2
11247	Covalent_Unit_Count	2
61124202	Molecular_Weight	113.12
528917	Hydrogen_Bond_Donor_Count	0
7488	Covalent_Unit_Count	1
3893	Structure_Complexity	132
84215	Defined_Bond_Stereo_Count	0
55191	Defined_Atom_Stereo_Count	0
64185	Non-hydrogen_Atom_Count	17
398515	Covalent_Unit_Count	1
113027	Undefined_Bond_Stereo_Count	0
135763205	Exact_Mass	384.04160728
298082	Undefined_Atom_Stereo_Count	3
158815	Molecular_Weight	165.23
99338	Non-hydrogen_Atom_Count	6
67782238	Molecular_Weight	100.12
117274708	Molecular_Weight	111.10
9805776	Rotatable_Bond_Count	5
129629392	Isotope_Atom_Count	1
93101	Covalent_Unit_Count	1
12305037	Defined_Atom_Stereo_Count	1
963	Structure_Complexity	1660
18730068	Undefined_Bond_Stereo_Count	0
11686063	Hydrogen_Bond_Donor_Count	12
498650	TPSA	32.6
11454753	Total_Formal_Charge	0
104865206	Molecular_Weight	117.15
6433110	Hydrogen_Bond_Donor_Count	2
138231	Structure_Complexity	28.7
70440	Covalent_Unit_Count	1
19070644	Hydrogen_Bond_Donor_Count	0
4432690	Structure_Complexity	962
77171	Non-hydrogen_Atom_Count	40
40898	Defined_Bond_Stereo_Count	0
5778	Molecular_Weight	166.21
71406	Hydrogen_Bond_Donor_Count	1
1443	Tautomer_Count	7
947	XLogP3-AA	0.1
9082	Non-hydrogen_Atom_Count	5
46174141	Defined_Bond_Stereo_Count	1
7985	Undefined_Bond_Stereo_Count	0
71112644	Covalent_Unit_Count	1
54584775	Exact_Mass	291.13830499
4875	Hydrogen_Bond_Acceptor_Count	1
11652865	Rotatable_Bond_Count	2
2734237	Defined_Atom_Stereo_Count	0
5311493	Undefined_Bond_Stereo_Count	0
3357	Covalent_Unit_Count	1
6852406	TPSA	62.3
685814	TPSA	73.2
11674	Structure_Complexity	86.2
123512955	Hydrogen_Bond_Donor_Count	1
62323	Defined_Bond_Stereo_Count	0
15721166	Defined_Atom_Stereo_Count	0
130149197	Hydrogen_Bond_Donor_Count	1
18713388	Non-hydrogen_Atom_Count	8
23277870	Mono_Isotopic_Weight	117.078978594
76374506	Undefined_Bond_Stereo_Count	0
8027	Rotatable_Bond_Count	0
21242473	Non-hydrogen_Atom_Count	7
165491	Mono_Isotopic_Weight	665.10096317
11007917	Undefined_Atom_Stereo_Count	0
129679806	Rotatable_Bond_Count	3
12634652	Molecular_Weight	80.13
136888	Covalent_Unit_Count	1
1630	XLogP3-AA	0.7
2248	Undefined_Atom_Stereo_Count	10
2374	Structure_Complexity	208
91927769	Hydrogen_Bond_Acceptor_Count	4
454844	Defined_Bond_Stereo_Count	0
32816	XLogP3	3.2
1123	Total_Formal_Charge	0
107349	Undefined_Bond_Stereo_Count	0
151476	Defined_Bond_Stereo_Count	0
18517118	Defined_Atom_Stereo_Count	0
154517172	Mono_Isotopic_Weight	97.089149355
2783279	Mono_Isotopic_Weight	151.00451168
64505	Covalent_Unit_Count	1
6430518	Undefined_Bond_Stereo_Count	0
9187	Tautomer_Count	1
21547708	Tautomer_Count	5
15858955	Defined_Bond_Stereo_Count	1
6971016	TPSA	110
15565412	Undefined_Bond_Stereo_Count	0
15566624	Hydrogen_Bond_Donor_Count	1
23087	Covalent_Unit_Count	1
3084447	Mono_Isotopic_Weight	297.1495567
9804302	Covalent_Unit_Count	1
136880	Structure_Complexity	47.6
3086428	Undefined_Atom_Stereo_Count	1
47866	Mono_Isotopic_Weight	166.09669434
117683867	Defined_Atom_Stereo_Count	11
71584419	Hydrogen_Bond_Donor_Count	2
62546	Structure_Complexity	361
146013258	Covalent_Unit_Count	1
5362065	Undefined_Atom_Stereo_Count	0
50901	Hydrogen_Bond_Acceptor_Count	4
64423	Covalent_Unit_Count	2
349713	Exact_Mass	114.068079557
5281915	Total_Formal_Charge	0
547676	Non-hydrogen_Atom_Count	7
6829	Molecular_Weight	199.20
93205	Hydrogen_Bond_Acceptor_Count	8
21144838	Undefined_Atom_Stereo_Count	1
24405	Total_Formal_Charge	0
13462200	Defined_Bond_Stereo_Count	0
3806	Covalent_Unit_Count	1
54536507	Hydrogen_Bond_Acceptor_Count	4
162501	Undefined_Bond_Stereo_Count	0
6992020	Hydrogen_Bond_Donor_Count	0
23700091	Molecular_Weight	224.30
81207	Covalent_Unit_Count	1
16132269	Undefined_Atom_Stereo_Count	0
9446	Structure_Complexity	374
10478142	XLogP3-AA	2.9
2563	Total_Formal_Charge	0
11111992	Isotope_Atom_Count	0
84002	Exact_Mass	268.06953611
79008	Rotatable_Bond_Count	1
71356	Molecular_Weight	275.31
21914607	Defined_Bond_Stereo_Count	0
15448870	Rotatable_Bond_Count	0
81099	Exact_Mass	137.084063974
60663	Hydrogen_Bond_Donor_Count	1
13991585	Defined_Bond_Stereo_Count	1
244	Structure_Complexity	55.4
91370278	Exact_Mass	94.078250319
23496	Exact_Mass	189.87999
29742	Hydrogen_Bond_Acceptor_Count	5
5280723	Molecular_Weight	354.5
54411340	Non-hydrogen_Atom_Count	7
586156	Molecular_Weight	137.14
136951315	Covalent_Unit_Count	2
5281706	Undefined_Atom_Stereo_Count	0
70701092	Hydrogen_Bond_Acceptor_Count	3
9954410	Hydrogen_Bond_Donor_Count	1
16949	Undefined_Atom_Stereo_Count	6
25074887	Mono_Isotopic_Weight	1429.6698184
309	Total_Formal_Charge	0
6815	Defined_Atom_Stereo_Count	0
16123056	TPSA	101
66755	Isotope_Atom_Count	0
984396	Rotatable_Bond_Count	8
79875564	Molecular_Weight	97.16
89578867	Defined_Atom_Stereo_Count	2
9931156	Exact_Mass	406.14411864
71675	Exact_Mass	259.1127773
69236	Total_Formal_Charge	0
65628	Defined_Atom_Stereo_Count	0
13438404	Rotatable_Bond_Count	1
12406682	Hydrogen_Bond_Acceptor_Count	1
14718277	Molecular_Weight	112.13
67938294	Molecular_Weight	95.10
12590274	Exact_Mass	100.052429494
5270603	Undefined_Atom_Stereo_Count	0
162265	Mono_Isotopic_Weight	151.099714038
5367854	Undefined_Bond_Stereo_Count	0
71671	Hydrogen_Bond_Acceptor_Count	2
172997	Defined_Bond_Stereo_Count	0
62695	Tautomer_Count	1
320263	XLogP3-AA	3.3
667449	XLogP3	2.9
6586	XLogP3-AA	1.2
54173442	Undefined_Atom_Stereo_Count	0
73148	Undefined_Bond_Stereo_Count	0
136657690	Hydrogen_Bond_Donor_Count	4
21093784	Total_Formal_Charge	0
129801132	Molecular_Weight	138.09
32872	XLogP3	4.1
119047	Hydrogen_Bond_Donor_Count	0
21158	Undefined_Bond_Stereo_Count	0
5784745	Defined_Bond_Stereo_Count	1
19702729	TPSA	61.1
20788567	Rotatable_Bond_Count	4
132277953	Defined_Atom_Stereo_Count	0
125	Mono_Isotopic_Weight	124.052429494
12355883	Isotope_Atom_Count	0
7466	Hydrogen_Bond_Acceptor_Count	1
69986	Total_Formal_Charge	0
4604180	Rotatable_Bond_Count	8
8996	Structure_Complexity	343
8058	Tautomer_Count	1
55284122	TPSA	35.2
60196406	Hydrogen_Bond_Donor_Count	3
15938972	Structure_Complexity	1270
33775	Rotatable_Bond_Count	2
21894763	Covalent_Unit_Count	1
3354	Hydrogen_Bond_Acceptor_Count	5
12454	Tautomer_Count	1
141192121	Molecular_Weight	95.10
157042408	Non-hydrogen_Atom_Count	8
9852188	Exact_Mass	628.44916039
93550	Non-hydrogen_Atom_Count	16
10024	Exact_Mass	104.083729621
5540	Rotatable_Bond_Count	13
57507	Hydrogen_Bond_Donor_Count	1
70048	Non-hydrogen_Atom_Count	19
12604	Defined_Bond_Stereo_Count	0
55250	TPSA	87.9
70070	Undefined_Atom_Stereo_Count	0
68258	Total_Formal_Charge	0
3716002	Total_Formal_Charge	0
1308	Molecular_Weight	352.4
57450901	Exact_Mass	114.104465066
3673	Hydrogen_Bond_Donor_Count	0
120507	Undefined_Bond_Stereo_Count	0
5283739	Undefined_Atom_Stereo_Count	0
519239	Tautomer_Count	1
21883050	Hydrogen_Bond_Donor_Count	1
102372243	Hydrogen_Bond_Acceptor_Count	3
9808	Tautomer_Count	1
115227	Rotatable_Bond_Count	1
5287705	Undefined_Atom_Stereo_Count	0
200424	Undefined_Atom_Stereo_Count	0
15065	Undefined_Bond_Stereo_Count	0
739236	Structure_Complexity	236
53778	Defined_Atom_Stereo_Count	0
91067785	Non-hydrogen_Atom_Count	8
90976358	Isotope_Atom_Count	0
18984521	Hydrogen_Bond_Donor_Count	1
7426	Rotatable_Bond_Count	0
50993881	Molecular_Weight	433.9
68746916	Undefined_Bond_Stereo_Count	0
53326315	Structure_Complexity	648
359231	Structure_Complexity	96.6
2782524	XLogP3-AA	1
517277	Rotatable_Bond_Count	0
6166	Mono_Isotopic_Weight	330.21949481
135565903	Rotatable_Bond_Count	2
22238529	Covalent_Unit_Count	1
11954292	Rotatable_Bond_Count	28
124443	Undefined_Atom_Stereo_Count	2
30987	Defined_Atom_Stereo_Count	0
54305717	Undefined_Bond_Stereo_Count	0
91010248	XLogP3-AA	3.4
88402	Defined_Bond_Stereo_Count	0
91172822	XLogP3-AA	5.1
80428	Total_Formal_Charge	0
2734117	Hydrogen_Bond_Donor_Count	0
47912	Defined_Bond_Stereo_Count	0
136353	Molecular_Weight	86.09
12023	Total_Formal_Charge	0
92153	Rotatable_Bond_Count	22
83971	Hydrogen_Bond_Donor_Count	6
91405	Hydrogen_Bond_Acceptor_Count	3
156963699	Exact_Mass	442.19915329
12514389	Covalent_Unit_Count	1
449123	Molecular_Weight	674.7
59021	TPSA	107
54544621	Non-hydrogen_Atom_Count	8
3844264	TPSA	126
212229	Exact_Mass	316.0745332
11669698	TPSA	168
8418	Isotope_Atom_Count	0
9939594	Defined_Atom_Stereo_Count	5
93535113	Rotatable_Bond_Count	0
2554	TPSA	46.3
77160509	Non-hydrogen_Atom_Count	6
73339	Exact_Mass	229.05211239
637927	Rotatable_Bond_Count	2
4720	TPSA	80.9
153977505	Undefined_Bond_Stereo_Count	0
18323	TPSA	119
45452	Defined_Bond_Stereo_Count	0
15493441	Hydrogen_Bond_Donor_Count	0
16134627	Hydrogen_Bond_Acceptor_Count	30
11550	Defined_Bond_Stereo_Count	0
10390	XLogP3	4.8
21908	Structure_Complexity	310
101454647	Non-hydrogen_Atom_Count	26
528405	XLogP3-AA	1.6
44571147	Isotope_Atom_Count	0
3878	Hydrogen_Bond_Donor_Count	2
60575	Undefined_Bond_Stereo_Count	0
7990	Structure_Complexity	93.2
18382	Hydrogen_Bond_Donor_Count	1
261668	Hydrogen_Bond_Donor_Count	0
5289535	Mono_Isotopic_Weight	785.28546166
4183	Covalent_Unit_Count	1
7070	Tautomer_Count	1
520998	Exact_Mass	99.104799419
124201453	Undefined_Atom_Stereo_Count	2
23677989	Hydrogen_Bond_Donor_Count	6
19606581	Undefined_Bond_Stereo_Count	0
224167	Structure_Complexity	450
135458645	XLogP3-AA	4.7
10721	Molecular_Weight	117.15
20253286	Hydrogen_Bond_Donor_Count	1
43436603	Non-hydrogen_Atom_Count	8
78422638	Isotope_Atom_Count	0
884462	Total_Formal_Charge	0
21823	Mono_Isotopic_Weight	217.110278721
9897412	Undefined_Bond_Stereo_Count	0
688930	Exact_Mass	286.0396719
5287705	Defined_Atom_Stereo_Count	0
636908	Covalent_Unit_Count	1
12478719	TPSA	44
73759663	TPSA	93.1
45609	Molecular_Weight	1161.9
19437571	Exact_Mass	112.088815002
54584353	Exact_Mass	428.20597001
162955682	Isotope_Atom_Count	0
9548714	Covalent_Unit_Count	1
22967002	Non-hydrogen_Atom_Count	7
74470	Defined_Bond_Stereo_Count	0
9158	XLogP3	6.4
656732	Defined_Atom_Stereo_Count	0
57459334	Structure_Complexity	48.1
642156	Rotatable_Bond_Count	0
70662473	Hydrogen_Bond_Donor_Count	1
27982	Hydrogen_Bond_Acceptor_Count	3
11908489	Non-hydrogen_Atom_Count	23
640194	Molecular_Weight	234.29
78157544	Total_Formal_Charge	0
25014844	Covalent_Unit_Count	1
59059038	Defined_Bond_Stereo_Count	0
8262	Defined_Atom_Stereo_Count	0
74652199	Structure_Complexity	215
2978	Hydrogen_Bond_Donor_Count	1
12471321	Exact_Mass	111.104799419
22178543	Covalent_Unit_Count	1
57871279	Undefined_Atom_Stereo_Count	2
9604	Covalent_Unit_Count	1
5420	Structure_Complexity	336
20631043	Defined_Bond_Stereo_Count	0
22226235	Defined_Atom_Stereo_Count	0
55067	Rotatable_Bond_Count	0
65557	Structure_Complexity	375
56834578	Covalent_Unit_Count	1
116706	Rotatable_Bond_Count	11
523048	Hydrogen_Bond_Donor_Count	0
37114	TPSA	49.7
86691500	TPSA	47.6
446286	Undefined_Atom_Stereo_Count	0
91180913	Covalent_Unit_Count	1
91490	Structure_Complexity	201
68157	Hydrogen_Bond_Donor_Count	0
21924633	Covalent_Unit_Count	1
449331	Rotatable_Bond_Count	31
24843	Mono_Isotopic_Weight	246.0107241
21805409	Non-hydrogen_Atom_Count	7
10662	Defined_Atom_Stereo_Count	0
520660	Covalent_Unit_Count	1
5264	Exact_Mass	465.34573470
41317	Undefined_Bond_Stereo_Count	4
5357002	Defined_Atom_Stereo_Count	0
20472522	Mono_Isotopic_Weight	94.078250319
13842461	Isotope_Atom_Count	0
825229	TPSA	116
49869040	Rotatable_Bond_Count	3
7291	Exact_Mass	108.02450067
135618150	Tautomer_Count	9
16129681	Defined_Atom_Stereo_Count	0
523	Defined_Atom_Stereo_Count	0
24451	TPSA	130
58490287	Defined_Atom_Stereo_Count	0
242722	TPSA	12.9
17963336	Undefined_Atom_Stereo_Count	0
59164	Mono_Isotopic_Weight	377.14092740
66828839	Defined_Atom_Stereo_Count	7
25101755	Covalent_Unit_Count	1
68858	Mono_Isotopic_Weight	277.146664230
13257	Hydrogen_Bond_Donor_Count	0
53322430	Hydrogen_Bond_Acceptor_Count	6
70128954	Undefined_Bond_Stereo_Count	0
42609626	Exact_Mass	203.0713064
14698	Hydrogen_Bond_Donor_Count	2
92044408	Hydrogen_Bond_Acceptor_Count	28
54368096	Mono_Isotopic_Weight	100.088815002
57820	Hydrogen_Bond_Donor_Count	2
12527495	Undefined_Bond_Stereo_Count	0
145454	Covalent_Unit_Count	1
79998	Defined_Atom_Stereo_Count	0
21873177	Total_Formal_Charge	0
53973376	TPSA	44
49866524	Hydrogen_Bond_Donor_Count	1
164667083	Defined_Atom_Stereo_Count	2
136871	TPSA	9.2
51886	Mono_Isotopic_Weight	209.06880783
72327	Total_Formal_Charge	0
5280570	Non-hydrogen_Atom_Count	32
4994	XLogP3-AA	1
71311337	Hydrogen_Bond_Donor_Count	1
3107	TPSA	113
73216	TPSA	93.4
12347357	Undefined_Bond_Stereo_Count	0
118855423	Exact_Mass	479.08648575
18727537	Undefined_Bond_Stereo_Count	0
14146878	Defined_Bond_Stereo_Count	0
13658	TPSA	46.5
444797	Isotope_Atom_Count	0
3349	Isotope_Atom_Count	0
1242943	Exact_Mass	317.12766012
72271	Structure_Complexity	935
102306506	Defined_Bond_Stereo_Count	1
403165	Mono_Isotopic_Weight	339.98474
2044	XLogP3-AA	4
10964588	Hydrogen_Bond_Donor_Count	0
92039518	Defined_Atom_Stereo_Count	0
58270057	Total_Formal_Charge	0
587348	Defined_Atom_Stereo_Count	0
57395978	Undefined_Atom_Stereo_Count	1
56842231	Exact_Mass	1140.59812858
11446304	Isotope_Atom_Count	0
24831714	Structure_Complexity	476
21439	Defined_Bond_Stereo_Count	0
47499	Exact_Mass	520.10124741
92303	TPSA	6.5
39268	Isotope_Atom_Count	0
311434	Mono_Isotopic_Weight	311.0672836
117965	Rotatable_Bond_Count	5
29025	Undefined_Atom_Stereo_Count	2
94617	Hydrogen_Bond_Donor_Count	0
45488107	Exact_Mass	445.11618739
637584	Undefined_Atom_Stereo_Count	0
66537	Molecular_Weight	212.29
4687937	Rotatable_Bond_Count	1
123680261	TPSA	59.2
9827103	Hydrogen_Bond_Acceptor_Count	12
11083864	Exact_Mass	114.068079557
4883	Isotope_Atom_Count	0
556685	Structure_Complexity	76.2
61286	Rotatable_Bond_Count	10
439262	Structure_Complexity	641
3538	TPSA	69.2
129827902	Covalent_Unit_Count	8
5282168	Rotatable_Bond_Count	10
2737289	XLogP3	0.8
165706199	Structure_Complexity	1370
7067874	Rotatable_Bond_Count	5
19338	Structure_Complexity	241
5360373	Non-hydrogen_Atom_Count	96
10775424	Exact_Mass	222.198365449
32131	Hydrogen_Bond_Donor_Count	3
164034646	Mono_Isotopic_Weight	100.063662883
21336123	Isotope_Atom_Count	0
70693582	Isotope_Atom_Count	0
16978	Hydrogen_Bond_Donor_Count	1
573117	Tautomer_Count	1
21326601	Molecular_Weight	116.16
66828839	Hydrogen_Bond_Donor_Count	3
12980	Rotatable_Bond_Count	2
65432	Defined_Atom_Stereo_Count	0
10290812	Mono_Isotopic_Weight	129.98777838
13214	Tautomer_Count	1
10070040	Undefined_Atom_Stereo_Count	0
25203302	Defined_Bond_Stereo_Count	0
6433402	Undefined_Bond_Stereo_Count	0
2564	Isotope_Atom_Count	0
25835	TPSA	0
145971	XLogP3	0.3
27375	Exact_Mass	212.0716407
72466	Undefined_Atom_Stereo_Count	9
6530	Defined_Atom_Stereo_Count	0
6971007	Total_Formal_Charge	0
70754	Covalent_Unit_Count	1
86705695	Isotope_Atom_Count	0
5281915	Hydrogen_Bond_Donor_Count	0
44755151	Undefined_Atom_Stereo_Count	0
91933845	Hydrogen_Bond_Acceptor_Count	7
87490405	Molecular_Weight	111.10
53887	Total_Formal_Charge	0
633	Defined_Bond_Stereo_Count	0
6410758	Total_Formal_Charge	0
154518370	Covalent_Unit_Count	1
131634760	Defined_Bond_Stereo_Count	0
433	Undefined_Atom_Stereo_Count	1
6328027	Total_Formal_Charge	0
12488	Covalent_Unit_Count	1
10029385	Structure_Complexity	1030
619250	Non-hydrogen_Atom_Count	19
65833	Mono_Isotopic_Weight	246.173213330
27934	Mono_Isotopic_Weight	222.115698455
38666	Molecular_Weight	370.1
25010556	Covalent_Unit_Count	1
139192	Isotope_Atom_Count	0
39732	Structure_Complexity	317
9887884	Defined_Bond_Stereo_Count	0
44560806	Mono_Isotopic_Weight	348.12561169
84986	Mono_Isotopic_Weight	210.0798001
2723671	Rotatable_Bond_Count	12
9942132	Rotatable_Bond_Count	0
123406207	Undefined_Bond_Stereo_Count	0
9801597	Covalent_Unit_Count	1
20448997	Non-hydrogen_Atom_Count	7
54245381	Exact_Mass	118.099379685
36332	Non-hydrogen_Atom_Count	12
49865922	Non-hydrogen_Atom_Count	26
385	Isotope_Atom_Count	0
162817	Molecular_Weight	280.4
18442594	Structure_Complexity	57.7
146158432	Covalent_Unit_Count	1
38768	Rotatable_Bond_Count	6
61111	Undefined_Atom_Stereo_Count	2
74581	Rotatable_Bond_Count	1
11194160	Covalent_Unit_Count	1
1034	Structure_Complexity	146
65564	Total_Formal_Charge	0
161166	Hydrogen_Bond_Donor_Count	3
123678021	Undefined_Atom_Stereo_Count	0
208880	XLogP3-AA	0.5
441411	Molecular_Weight	219.66
70692035	Defined_Bond_Stereo_Count	0
12397138	Non-hydrogen_Atom_Count	7
12709580	Undefined_Atom_Stereo_Count	0
46936560	TPSA	44.4
6921821	Rotatable_Bond_Count	3
18392	Isotope_Atom_Count	0
16204530	Molecular_Weight	174.33
27020	Mono_Isotopic_Weight	643.71052
160332	Defined_Atom_Stereo_Count	0
17928	Hydrogen_Bond_Donor_Count	1
517121	Undefined_Atom_Stereo_Count	0
525	Non-hydrogen_Atom_Count	9
6918493	Molecular_Weight	378.4
3613700	XLogP3	1.9
83287	Undefined_Bond_Stereo_Count	0
3625248	TPSA	106
5281764	Defined_Atom_Stereo_Count	2
3783165	Non-hydrogen_Atom_Count	7
160434	Structure_Complexity	118
5672	Undefined_Atom_Stereo_Count	8
96424	Mono_Isotopic_Weight	353.01401281
12628168	Mono_Isotopic_Weight	112.088815002
71971	Tautomer_Count	1
102175	Hydrogen_Bond_Donor_Count	4
15144	Rotatable_Bond_Count	2
2898	Structure_Complexity	503
162715424	Covalent_Unit_Count	1
443874	Tautomer_Count	3
548769	Structure_Complexity	172
53316382	Covalent_Unit_Count	1
15174357	Covalent_Unit_Count	1
86278368	Exact_Mass	790.20636393
132980	Structure_Complexity	748
2724048	TPSA	49.4
101375997	Structure_Complexity	1840
85988	Hydrogen_Bond_Acceptor_Count	5
21391884	Covalent_Unit_Count	1
18847	Tautomer_Count	1
65646	Non-hydrogen_Atom_Count	32
292	Defined_Bond_Stereo_Count	0
3798	Exact_Mass	281.116426730
29637	Non-hydrogen_Atom_Count	13
9571109	Undefined_Bond_Stereo_Count	0
2969	Exact_Mass	172.146329876
749823	TPSA	52
656668	Structure_Complexity	933
23663404	Defined_Atom_Stereo_Count	5
2724387	Hydrogen_Bond_Acceptor_Count	6
7559	Non-hydrogen_Atom_Count	11
56619338	Non-hydrogen_Atom_Count	12
19438038	Defined_Bond_Stereo_Count	0
119083105	Isotope_Atom_Count	0
414773	Undefined_Atom_Stereo_Count	0
12313473	Covalent_Unit_Count	1
54556623	Hydrogen_Bond_Donor_Count	2
10616	Hydrogen_Bond_Acceptor_Count	3
12545025	Total_Formal_Charge	0
10322586	Defined_Atom_Stereo_Count	1
17806	Exact_Mass	294.25319498
47294	Defined_Atom_Stereo_Count	0
23532160	Undefined_Atom_Stereo_Count	0
54368808	Mono_Isotopic_Weight	109.052763847
22395644	Defined_Atom_Stereo_Count	0
70691154	XLogP3-AA	3.3
2816576	Defined_Atom_Stereo_Count	0
6433339	TPSA	9.2
5284349	Defined_Bond_Stereo_Count	0
20230230	Undefined_Atom_Stereo_Count	0
122384816	Rotatable_Bond_Count	24
19782023	Covalent_Unit_Count	1
58084	Tautomer_Count	1
120507	Undefined_Atom_Stereo_Count	0
24833843	Molecular_Weight	500.6
138319323	Total_Formal_Charge	0
445319	Exact_Mass	118.05646950
172288	Hydrogen_Bond_Donor_Count	0
3055171	Rotatable_Bond_Count	4
40652	Exact_Mass	351.20457303
129681963	Rotatable_Bond_Count	4
28114	Molecular_Weight	110.11
706054	Exact_Mass	278.153146591
4940	Tautomer_Count	2
44717	Undefined_Bond_Stereo_Count	0
54580	Mono_Isotopic_Weight	500.18442974
5369209	TPSA	63.6
3661	Non-hydrogen_Atom_Count	21
12095226	Non-hydrogen_Atom_Count	23
22512	Isotope_Atom_Count	0
198015	Defined_Bond_Stereo_Count	0
6350	Covalent_Unit_Count	1
210172	TPSA	53.1
49862768	Defined_Atom_Stereo_Count	0
135398654	Molecular_Weight	241.25
13589	Total_Formal_Charge	0
12094059	Undefined_Atom_Stereo_Count	0
102004933	Defined_Bond_Stereo_Count	0
139243814	Exact_Mass	80.053659862
117188004	Isotope_Atom_Count	0
222155	Rotatable_Bond_Count	5
219301	Defined_Bond_Stereo_Count	0
44427888	Non-hydrogen_Atom_Count	50
52949373	Hydrogen_Bond_Donor_Count	2
830033	Defined_Bond_Stereo_Count	0
46244883	Molecular_Weight	424.5
124769753	Covalent_Unit_Count	1
1550330	Non-hydrogen_Atom_Count	21
108002	Structure_Complexity	820
15071433	Defined_Atom_Stereo_Count	4
58746	Mono_Isotopic_Weight	413.19294
17825297	Mono_Isotopic_Weight	110.109550447
62669683	Structure_Complexity	76.6
3032806	Defined_Atom_Stereo_Count	10
22419	Defined_Atom_Stereo_Count	0
45356872	Exact_Mass	545.26248182
5284447	Non-hydrogen_Atom_Count	47
9823293	Defined_Bond_Stereo_Count	0
6432105	Exact_Mass	326.199428076
49865973	XLogP3-AA	2.7
86743193	Hydrogen_Bond_Acceptor_Count	10
71430868	Structure_Complexity	685
9235	Tautomer_Count	1
22339897	Exact_Mass	825.35717005
15738546	Covalent_Unit_Count	1
13978	Hydrogen_Bond_Donor_Count	0
70693538	Exact_Mass	438.1955211
10839	Mono_Isotopic_Weight	359.24604391
3125	Molecular_Weight	195.21
5460348	TPSA	60.4
3657	Structure_Complexity	42.9
11759286	Structure_Complexity	421
2723630	Molecular_Weight	150.3
7077	TPSA	12.5
254	Hydrogen_Bond_Acceptor_Count	2
3208	Defined_Atom_Stereo_Count	0
5497195	XLogP3-AA	7.5
3149	Undefined_Atom_Stereo_Count	0
20700920	TPSA	20.1
66191	Hydrogen_Bond_Donor_Count	0
2733335	Defined_Bond_Stereo_Count	0
217842	Mono_Isotopic_Weight	313.99188038
69908	TPSA	17.1
91230338	Hydrogen_Bond_Acceptor_Count	0
14708733	Molecular_Weight	408.4
10196758	Hydrogen_Bond_Acceptor_Count	11
57399142	Isotope_Atom_Count	0
44144477	Undefined_Atom_Stereo_Count	0
692366	Rotatable_Bond_Count	3
94228	Structure_Complexity	574
135400184	Non-hydrogen_Atom_Count	20
10534621	Defined_Atom_Stereo_Count	0
51001932	Undefined_Bond_Stereo_Count	0
5282549	Covalent_Unit_Count	1
135424747	Covalent_Unit_Count	1
61899	Tautomer_Count	1
14705467	Isotope_Atom_Count	0
2117	Tautomer_Count	1
6399259	Exact_Mass	413.04637556
30215	Tautomer_Count	1
687604	Undefined_Bond_Stereo_Count	0
25050	Non-hydrogen_Atom_Count	17
67645	Mono_Isotopic_Weight	520.9695404
50376	XLogP3-AA	4
54576693	Exact_Mass	410.0957244
95391	Hydrogen_Bond_Donor_Count	0
143506727	Undefined_Atom_Stereo_Count	1
12753	Structure_Complexity	50
15480	Undefined_Bond_Stereo_Count	0
54321	Rotatable_Bond_Count	4
1175	Rotatable_Bond_Count	0
5320867	Mono_Isotopic_Weight	324.183778013
6326975	Defined_Bond_Stereo_Count	0
2819635	Hydrogen_Bond_Donor_Count	0
5284633	Non-hydrogen_Atom_Count	32
64762	Molecular_Weight	471.0
138107644	Total_Formal_Charge	0
3392	Defined_Atom_Stereo_Count	0
21789	Mono_Isotopic_Weight	191.094628657
89453139	Non-hydrogen_Atom_Count	8
534566	Tautomer_Count	3
15287	Exact_Mass	104.083729621
10061651	Hydrogen_Bond_Acceptor_Count	2
11083045	Exact_Mass	701.55083
55287377	Structure_Complexity	94.4
21562395	Rotatable_Bond_Count	2
44560772	Undefined_Atom_Stereo_Count	0
10070040	XLogP3	4.2
42884	Hydrogen_Bond_Donor_Count	0
151497	Total_Formal_Charge	0
6793	Undefined_Bond_Stereo_Count	0
21438817	Exact_Mass	98.048012819
42240	Exact_Mass	182.05790880
9936	Exact_Mass	251.01539010
5004	Isotope_Atom_Count	0
2827646	Undefined_Bond_Stereo_Count	0
26035	Defined_Bond_Stereo_Count	0
54433749	Non-hydrogen_Atom_Count	7
11161534	Rotatable_Bond_Count	3
93074	Structure_Complexity	65.1
14781	Undefined_Atom_Stereo_Count	0
124605129	Covalent_Unit_Count	1
101115582	Structure_Complexity	94.6
133268468	Undefined_Bond_Stereo_Count	0
16722120	Isotope_Atom_Count	0
135403802	Structure_Complexity	645
9578570	Tautomer_Count	2
20653386	Mono_Isotopic_Weight	108.057514874
18730043	Non-hydrogen_Atom_Count	7
19437571	Non-hydrogen_Atom_Count	8
6746	Exact_Mass	412.370516150
77077	Hydrogen_Bond_Acceptor_Count	0
12339648	Covalent_Unit_Count	1
107670	Defined_Atom_Stereo_Count	11
22594079	Mono_Isotopic_Weight	119.00409958
85838693	Total_Formal_Charge	0
10704662	Undefined_Atom_Stereo_Count	1
125110	Undefined_Bond_Stereo_Count	0
19426425	Structure_Complexity	32.9
10658	XLogP3	2
136750	Defined_Atom_Stereo_Count	0
101589314	Undefined_Atom_Stereo_Count	2
3606	Total_Formal_Charge	0
134601	Undefined_Bond_Stereo_Count	0
8920	Defined_Atom_Stereo_Count	0
57031203	XLogP3-AA	0.2
44562492	TPSA	67
424	Covalent_Unit_Count	1
20583864	Structure_Complexity	70.8
15001198	Undefined_Bond_Stereo_Count	0
4369579	Defined_Bond_Stereo_Count	0
12309339	Undefined_Bond_Stereo_Count	0
519514	Hydrogen_Bond_Donor_Count	1
8197	Exact_Mass	189.19534575
44560080	Defined_Atom_Stereo_Count	9
24393	Defined_Bond_Stereo_Count	0
11734	Structure_Complexity	61.8
119202	Tautomer_Count	5
57074	Non-hydrogen_Atom_Count	26
813505	Mono_Isotopic_Weight	277.0254188
13059052	Mono_Isotopic_Weight	380.177630004
80296024	Structure_Complexity	136
58516110	Total_Formal_Charge	1
45880	XLogP3-AA	2.2
102	Structure_Complexity	83
68215184	Covalent_Unit_Count	1
64738	Rotatable_Bond_Count	4
98136	TPSA	12
22639502	Undefined_Bond_Stereo_Count	0
44455404	Hydrogen_Bond_Donor_Count	3
596244	Defined_Atom_Stereo_Count	0
5102	Undefined_Bond_Stereo_Count	0
116021439	Mono_Isotopic_Weight	113.084063974
5195	Undefined_Atom_Stereo_Count	1
13434377	Rotatable_Bond_Count	5
70687384	Rotatable_Bond_Count	3
445127	Molecular_Weight	911.7
251070	Tautomer_Count	1
8800	Exact_Mass	198.0559907
12344797	Non-hydrogen_Atom_Count	8
118209817	Covalent_Unit_Count	1
24867851	Hydrogen_Bond_Donor_Count	1
139105	Isotope_Atom_Count	0
45788576	Mono_Isotopic_Weight	111.068413911
164668700	Non-hydrogen_Atom_Count	8
4714	Mono_Isotopic_Weight	496.39164552
95982	Defined_Atom_Stereo_Count	0
55284122	Defined_Atom_Stereo_Count	0
74356	Total_Formal_Charge	0
69672	Defined_Bond_Stereo_Count	0
135247704	Exact_Mass	115.063328530
10975460	Non-hydrogen_Atom_Count	8
193001	Covalent_Unit_Count	1
14077	TPSA	26.8
82	Tautomer_Count	1
13728409	Total_Formal_Charge	0
4093	Undefined_Bond_Stereo_Count	0
8534	Non-hydrogen_Atom_Count	22
5645	Mono_Isotopic_Weight	392.29265975
6471	Total_Formal_Charge	0
16078	Non-hydrogen_Atom_Count	23
444440	Hydrogen_Bond_Acceptor_Count	9
16079005	Isotope_Atom_Count	0
6435801	TPSA	110
5283377	Structure_Complexity	204
9905875	Defined_Atom_Stereo_Count	1
7715	Tautomer_Count	1
59295974	Non-hydrogen_Atom_Count	38
15532	Defined_Atom_Stereo_Count	0
7081	Covalent_Unit_Count	1
543	Total_Formal_Charge	0
6326947	Structure_Complexity	532
1578	Hydrogen_Bond_Acceptor_Count	1
37247	Covalent_Unit_Count	1
78423105	Exact_Mass	259.04289038
5282182	Undefined_Atom_Stereo_Count	0
139086367	Mono_Isotopic_Weight	392.09022504
10168	Total_Formal_Charge	0
11569	Molecular_Weight	136.15
88520001	Defined_Bond_Stereo_Count	1
135419182	Undefined_Atom_Stereo_Count	0
148013616	Isotope_Atom_Count	0
44560772	Defined_Atom_Stereo_Count	0
12746	Hydrogen_Bond_Donor_Count	0
22917	Exact_Mass	293.08004122
131801164	Molecular_Weight	453.6
57397775	Total_Formal_Charge	0
5311136	Undefined_Atom_Stereo_Count	0
78491	Mono_Isotopic_Weight	193.99424
62529	Mono_Isotopic_Weight	192.162648646
24825265	XLogP3-AA	4.5
55509	Defined_Atom_Stereo_Count	0
28315	Defined_Bond_Stereo_Count	0
79446	Non-hydrogen_Atom_Count	7
6042	Covalent_Unit_Count	2
561193	Structure_Complexity	210
9825070	Undefined_Atom_Stereo_Count	0
54610537	Hydrogen_Bond_Acceptor_Count	4
21067	Covalent_Unit_Count	1
4832	XLogP3-AA	3.6
20096805	Mono_Isotopic_Weight	101.047678466
36235	TPSA	178
6437071	Defined_Bond_Stereo_Count	1
3858	Hydrogen_Bond_Donor_Count	2
618566	Molecular_Weight	430.2
12820045	TPSA	20.2
6419957	Exact_Mass	1456.4334786
92258	Defined_Bond_Stereo_Count	0
90927	Defined_Bond_Stereo_Count	0
90355769	Hydrogen_Bond_Donor_Count	1
54704426	Non-hydrogen_Atom_Count	33
133667882	Undefined_Bond_Stereo_Count	0
3973230	Defined_Atom_Stereo_Count	0
7571	Covalent_Unit_Count	1
90766	TPSA	21.3
23080446	Undefined_Bond_Stereo_Count	0
24414	TPSA	88.6
5287494	Hydrogen_Bond_Acceptor_Count	3
642376	XLogP3-AA	3.2
24892842	Isotope_Atom_Count	0
156618073	Isotope_Atom_Count	0
4205037	Hydrogen_Bond_Acceptor_Count	4
135515430	Molecular_Weight	328.4
61071	XLogP3-AA	3.4
2771917	Defined_Bond_Stereo_Count	0
97627	Structure_Complexity	398
9832447	Molecular_Weight	502.6
97637	Hydrogen_Bond_Acceptor_Count	1
10028615	Mono_Isotopic_Weight	492.24243570
131700489	Structure_Complexity	337
1244460	Covalent_Unit_Count	1
41095	Molecular_Weight	249.35
643209	Covalent_Unit_Count	1
14917	Defined_Bond_Stereo_Count	0
48199	Isotope_Atom_Count	0
7274	Undefined_Atom_Stereo_Count	0
14581	Molecular_Weight	199.25
92600	TPSA	74.6
835411	Non-hydrogen_Atom_Count	21
7493	Rotatable_Bond_Count	2
3512	Structure_Complexity	575
12554265	Isotope_Atom_Count	0
46795	Molecular_Weight	302.21
16120191	Non-hydrogen_Atom_Count	13
70128954	Defined_Atom_Stereo_Count	0
49865859	Non-hydrogen_Atom_Count	25
643606	Total_Formal_Charge	0
90488715	Mono_Isotopic_Weight	1018.44048069
33630	Non-hydrogen_Atom_Count	36
21816393	Defined_Bond_Stereo_Count	0
121892	XLogP3-AA	2.8
53145	Isotope_Atom_Count	0
534451	XLogP3	2.2
44629591	Exact_Mass	572.31581775
14989494	Defined_Bond_Stereo_Count	0
543885	Covalent_Unit_Count	1
101080369	Structure_Complexity	2.8
278715	Hydrogen_Bond_Donor_Count	0
9548810	Isotope_Atom_Count	0
11788264	Isotope_Atom_Count	0
71312306	Rotatable_Bond_Count	0
23749	TPSA	140
70688149	Covalent_Unit_Count	1
5481173	XLogP3	0.4
6993205	Rotatable_Bond_Count	3
159325	Structure_Complexity	889
9803788	XLogP3-AA	4.1
483407	Molecular_Weight	513.7
4646	Defined_Bond_Stereo_Count	0
492967	Rotatable_Bond_Count	15
20680	Hydrogen_Bond_Donor_Count	0
19595920	Hydrogen_Bond_Donor_Count	0
12519787	Undefined_Bond_Stereo_Count	0
79013	Molecular_Weight	478.7
9793707	Defined_Atom_Stereo_Count	0
25022340	Molecular_Weight	561.7
24848360	Exact_Mass	297.14254485
443376	Structure_Complexity	2330
139026056	Defined_Atom_Stereo_Count	8
135413504	XLogP3-AA	1.6
25142172	Hydrogen_Bond_Donor_Count	2
20748	Molecular_Weight	142.20
12867691	Hydrogen_Bond_Donor_Count	0
67643801	Structure_Complexity	84.2
705	Structure_Complexity	1520
119036	Exact_Mass	139.136099547
95837	Defined_Atom_Stereo_Count	0
137843	Structure_Complexity	157
5781	Defined_Bond_Stereo_Count	0
532293	Mono_Isotopic_Weight	229.9901349
91053206	Mono_Isotopic_Weight	1201.84136802
17806836	Isotope_Atom_Count	0
53403752	Isotope_Atom_Count	0
13267937	Non-hydrogen_Atom_Count	30
12724623	Exact_Mass	98.073164938
6539003	Hydrogen_Bond_Donor_Count	3
7363	Isotope_Atom_Count	0
9699	Total_Formal_Charge	0
137553930	Rotatable_Bond_Count	4
17736	Undefined_Atom_Stereo_Count	0
7456	Defined_Atom_Stereo_Count	0
71397987	TPSA	38.7
197148	Tautomer_Count	1
138231	Rotatable_Bond_Count	2
35329	Defined_Bond_Stereo_Count	0
55397	Total_Formal_Charge	0
436482	Hydrogen_Bond_Acceptor_Count	2
140639440	Molecular_Weight	357.3
485482	Mono_Isotopic_Weight	309.139173551
5481119	Hydrogen_Bond_Acceptor_Count	6
98735	Undefined_Atom_Stereo_Count	0
6857429	Structure_Complexity	0
135544142	Structure_Complexity	748
88154	TPSA	60.7
2724054	Non-hydrogen_Atom_Count	31
44477	Tautomer_Count	1
67214459	Defined_Bond_Stereo_Count	0
9989226	Non-hydrogen_Atom_Count	5
443151	Non-hydrogen_Atom_Count	30
9793773	Undefined_Bond_Stereo_Count	0
70995	Tautomer_Count	1
62576	Isotope_Atom_Count	0
12017	Undefined_Bond_Stereo_Count	0
116842112	XLogP3-AA	1.6
9690	Isotope_Atom_Count	0
34633	Isotope_Atom_Count	0
124094	Exact_Mass	522.12722861
87503479	Undefined_Bond_Stereo_Count	0
4277439	Defined_Bond_Stereo_Count	0
21218701	Undefined_Atom_Stereo_Count	1
7274	Defined_Atom_Stereo_Count	0
671175	Hydrogen_Bond_Acceptor_Count	4
31233	Defined_Bond_Stereo_Count	0
3571	Undefined_Bond_Stereo_Count	0
17816	Defined_Bond_Stereo_Count	0
246206	Non-hydrogen_Atom_Count	21
6420041	Molecular_Weight	408.2
13225428	Rotatable_Bond_Count	2
18175	Defined_Atom_Stereo_Count	0
86578	Hydrogen_Bond_Donor_Count	2
7978	Hydrogen_Bond_Donor_Count	1
532	Undefined_Atom_Stereo_Count	6
81459	Rotatable_Bond_Count	1
653473	Defined_Atom_Stereo_Count	0
21945	Molecular_Weight	319.36
10701	Mono_Isotopic_Weight	113.022526347
295261	Undefined_Atom_Stereo_Count	0
9571	Defined_Bond_Stereo_Count	0
47509	Mono_Isotopic_Weight	256.1090889
28102	TPSA	38.8
107166	Covalent_Unit_Count	1
15277	Undefined_Atom_Stereo_Count	0
13454	Mono_Isotopic_Weight	261.06709375
535545	Defined_Atom_Stereo_Count	0
10176241	Defined_Bond_Stereo_Count	0
89053261	Defined_Atom_Stereo_Count	0
20495	Tautomer_Count	2
14862	Tautomer_Count	2
2723816	Isotope_Atom_Count	0
4503	Hydrogen_Bond_Acceptor_Count	17
12068306	Defined_Bond_Stereo_Count	0
8917	Non-hydrogen_Atom_Count	11
21092	Rotatable_Bond_Count	4
521020	Tautomer_Count	1
40652	Non-hydrogen_Atom_Count	25
13084	Defined_Atom_Stereo_Count	0
18521191	Total_Formal_Charge	0
224844	XLogP3-AA	2.3
30630	Undefined_Atom_Stereo_Count	0
9901617	Non-hydrogen_Atom_Count	20
3671	Structure_Complexity	288
53632493	Mono_Isotopic_Weight	100.052429494
50192	Defined_Atom_Stereo_Count	10
3146673	Defined_Atom_Stereo_Count	0
12560918	Structure_Complexity	68.5
97740	Covalent_Unit_Count	1
7387	Non-hydrogen_Atom_Count	13
65837	Tautomer_Count	4
1041	Molecular_Weight	390.07
322148	Rotatable_Bond_Count	1
167085	Rotatable_Bond_Count	0
11608786	Undefined_Atom_Stereo_Count	0
11670	XLogP3-AA	1.5
54576693	Isotope_Atom_Count	0
557021	Tautomer_Count	1
453307	Molecular_Weight	254.29
134495	Hydrogen_Bond_Acceptor_Count	4
13068494	Hydrogen_Bond_Donor_Count	1
11274356	Isotope_Atom_Count	0
20526784	Hydrogen_Bond_Donor_Count	2
449171	Defined_Atom_Stereo_Count	0
2090	Tautomer_Count	36
44031	TPSA	16.6
154285117	Covalent_Unit_Count	1
69627204	Hydrogen_Bond_Donor_Count	0
14529853	Total_Formal_Charge	0
149086	Undefined_Atom_Stereo_Count	0
415868	Undefined_Bond_Stereo_Count	0
5280981	Hydrogen_Bond_Donor_Count	3
53944814	Mono_Isotopic_Weight	102.031694049
5112454	Rotatable_Bond_Count	2
20056549	TPSA	220
22502	Hydrogen_Bond_Donor_Count	4
25150856	Isotope_Atom_Count	0
56769	Hydrogen_Bond_Acceptor_Count	0
26929	Hydrogen_Bond_Acceptor_Count	4
10545	Non-hydrogen_Atom_Count	12
6419807	TPSA	51.4
720471	XLogP3	0
39648	Rotatable_Bond_Count	9
102019	Isotope_Atom_Count	0
85605344	Hydrogen_Bond_Acceptor_Count	1
64218	Covalent_Unit_Count	1
7045767	TPSA	66.4
99748	Defined_Atom_Stereo_Count	0
59125088	Hydrogen_Bond_Donor_Count	5
45259043	Mono_Isotopic_Weight	544.36584195
58473795	Defined_Bond_Stereo_Count	0
31136	Total_Formal_Charge	0
347271	Total_Formal_Charge	0
19651	Isotope_Atom_Count	0
153665501	Undefined_Atom_Stereo_Count	2
5283853	Non-hydrogen_Atom_Count	29
8655	Isotope_Atom_Count	0
625277	Defined_Bond_Stereo_Count	0
12993143	Exact_Mass	100.100048391
65535	Covalent_Unit_Count	1
69356	Tautomer_Count	1
15891	Tautomer_Count	1
25142699	Covalent_Unit_Count	1
79414	Defined_Atom_Stereo_Count	0
2585	Defined_Bond_Stereo_Count	0
2723785	Covalent_Unit_Count	1
11531537	Exact_Mass	404.26750763
22378	Rotatable_Bond_Count	6
10163178	XLogP3-AA	3.6
154825555	Undefined_Atom_Stereo_Count	1
339213	Defined_Atom_Stereo_Count	0
9244	Exact_Mass	84.057514874
71360804	XLogP3	2.8
4694097	Undefined_Bond_Stereo_Count	0
44338979	TPSA	167
23328892	Molecular_Weight	114.14
3033871	Tautomer_Count	2
246916	Undefined_Bond_Stereo_Count	0
16218742	Undefined_Bond_Stereo_Count	0
6437065	Molecular_Weight	441.5
5311505	Rotatable_Bond_Count	5
229075	Molecular_Weight	110.12
12754	Total_Formal_Charge	0
23671430	Hydrogen_Bond_Acceptor_Count	3
154809859	Exact_Mass	665.30474055
42580057	Non-hydrogen_Atom_Count	23
133268468	Undefined_Atom_Stereo_Count	0
5281426	Rotatable_Bond_Count	0
6444826	Structure_Complexity	516
2724039	Isotope_Atom_Count	0
8442	Mono_Isotopic_Weight	324.17591592
192807	Hydrogen_Bond_Donor_Count	2
592	Hydrogen_Bond_Donor_Count	9
57370827	Isotope_Atom_Count	0
3080818	Structure_Complexity	373
10402	Defined_Bond_Stereo_Count	0
175533	Total_Formal_Charge	0
77574	Undefined_Bond_Stereo_Count	0
180098	Defined_Atom_Stereo_Count	2
5288615	Molecular_Weight	398.5
51763	Covalent_Unit_Count	2
6918026	Hydrogen_Bond_Acceptor_Count	13
62275	Isotope_Atom_Count	0
4255874	Covalent_Unit_Count	3
230976	Molecular_Weight	193.11
59809	Defined_Atom_Stereo_Count	0
10236037	Molecular_Weight	173.25
9661	Defined_Bond_Stereo_Count	0
11954316	Molecular_Weight	766.3
243415	Defined_Atom_Stereo_Count	0
161561	Mono_Isotopic_Weight	430.1093467
5280805	Hydrogen_Bond_Donor_Count	10
117736505	Molecular_Weight	106.12
10887840	Defined_Bond_Stereo_Count	0
11192	Defined_Bond_Stereo_Count	0
656837	Defined_Bond_Stereo_Count	0
129991	Isotope_Atom_Count	0
76687	Structure_Complexity	445
15122	Exact_Mass	123.9846556
544596	Undefined_Bond_Stereo_Count	0
96339	Tautomer_Count	2
94306	Tautomer_Count	1
92839	TPSA	29.5
16685262	Total_Formal_Charge	0
70681777	Total_Formal_Charge	0
135625230	Hydrogen_Bond_Donor_Count	10
10267087	Hydrogen_Bond_Acceptor_Count	5
6289935	XLogP3	18.2
130026605	Covalent_Unit_Count	1
16683093	Structure_Complexity	335
12207545	Structure_Complexity	75.4
71645	TPSA	46.5
53708664	Defined_Atom_Stereo_Count	0
1988	Structure_Complexity	260
1755	Total_Formal_Charge	0
12555	Hydrogen_Bond_Acceptor_Count	3
15842091	Defined_Atom_Stereo_Count	0
55973	Undefined_Atom_Stereo_Count	0
55285315	Molecular_Weight	125.13
19847	Molecular_Weight	283.2
45933886	Rotatable_Bond_Count	1
3854	Hydrogen_Bond_Donor_Count	3
55278707	Non-hydrogen_Atom_Count	7
279506	TPSA	57.5
920954	Rotatable_Bond_Count	2
41019	Isotope_Atom_Count	0
21118312	Defined_Atom_Stereo_Count	7
4740700	Isotope_Atom_Count	0
7243	Hydrogen_Bond_Acceptor_Count	2
43672	Undefined_Bond_Stereo_Count	0
57396214	Hydrogen_Bond_Acceptor_Count	5
76335	Exact_Mass	100.088815002
53893761	Structure_Complexity	162
140905	Exact_Mass	112.088815002
102019	Tautomer_Count	2
54587655	Hydrogen_Bond_Donor_Count	1
470375	Defined_Atom_Stereo_Count	4
30923	Undefined_Bond_Stereo_Count	0
20463	Total_Formal_Charge	0
11575878	Non-hydrogen_Atom_Count	33
156907991	Non-hydrogen_Atom_Count	91
207286	XLogP3-AA	1.6
1481	Structure_Complexity	328
86876	Defined_Atom_Stereo_Count	0
10328	Defined_Bond_Stereo_Count	0
10654192	Isotope_Atom_Count	0
544861	Non-hydrogen_Atom_Count	7
54698175	Structure_Complexity	915
16679	Defined_Bond_Stereo_Count	0
980	Covalent_Unit_Count	1
74839	Hydrogen_Bond_Donor_Count	2
71310221	Rotatable_Bond_Count	16
72775170	Exact_Mass	100.063662883
339455	Structure_Complexity	542
2756	Exact_Mass	252.11571571
4248	Defined_Bond_Stereo_Count	0
25201794	Non-hydrogen_Atom_Count	25
824336	Exact_Mass	348.0335411
12040	Covalent_Unit_Count	1
8102	Undefined_Atom_Stereo_Count	0
59791	TPSA	80.6
11267045	Non-hydrogen_Atom_Count	23
441037	Exact_Mass	267.09541650
54602908	Total_Formal_Charge	0
135404289	Hydrogen_Bond_Donor_Count	2
55287853	Rotatable_Bond_Count	2
14112079	Exact_Mass	101.047678466
3792	Covalent_Unit_Count	1
21803156	Rotatable_Bond_Count	1
3885	Exact_Mass	242.094294304
3710788	Total_Formal_Charge	0
23666110	Exact_Mass	672.7720
4731	Covalent_Unit_Count	1
5282474	Hydrogen_Bond_Acceptor_Count	9
16682746	TPSA	9.2
91003779	Undefined_Bond_Stereo_Count	0
156882	XLogP3-AA	5.6
76403	Mono_Isotopic_Weight	207.924948
2697	Hydrogen_Bond_Acceptor_Count	6
13035004	Molecular_Weight	101.10
3047810	TPSA	80.7
71371	TPSA	191
55286004	Undefined_Atom_Stereo_Count	1
183812	Non-hydrogen_Atom_Count	31
136090	Mono_Isotopic_Weight	104.062600255
23347	Non-hydrogen_Atom_Count	12
12231382	Non-hydrogen_Atom_Count	8
2578	Molecular_Weight	214.05
13668	Hydrogen_Bond_Acceptor_Count	3
20681276	Structure_Complexity	107
99147	Isotope_Atom_Count	0
17178037	Total_Formal_Charge	0
123723	Defined_Atom_Stereo_Count	1
25835	Total_Formal_Charge	0
23680396	Undefined_Atom_Stereo_Count	2
550814	Mono_Isotopic_Weight	116.083729621
10406	Undefined_Atom_Stereo_Count	1
58488970	Rotatable_Bond_Count	0
54150248	Isotope_Atom_Count	0
87485	Hydrogen_Bond_Acceptor_Count	3
13285795	Molecular_Weight	85.10
87457638	Exact_Mass	354.01426819
231360	Total_Formal_Charge	0
12302689	Defined_Bond_Stereo_Count	0
82987	Undefined_Atom_Stereo_Count	0
27816	Isotope_Atom_Count	0
11354606	Isotope_Atom_Count	0
5029	Mono_Isotopic_Weight	359.13036271
8477	Undefined_Atom_Stereo_Count	0
643327	Hydrogen_Bond_Donor_Count	2
12674802	TPSA	12.9
433902	Mono_Isotopic_Weight	904.44565070
43454	Non-hydrogen_Atom_Count	19
17587	Undefined_Bond_Stereo_Count	0
72761	Hydrogen_Bond_Donor_Count	2
6294	Undefined_Bond_Stereo_Count	0
78963	Undefined_Bond_Stereo_Count	0
53707229	Mono_Isotopic_Weight	94.041864811
457	Isotope_Atom_Count	0
10046647	Exact_Mass	401.2233903
12369	Molecular_Weight	179.10
27402	Undefined_Bond_Stereo_Count	0
5353985	Hydrogen_Bond_Acceptor_Count	11
23665731	Hydrogen_Bond_Donor_Count	1
253602	Mono_Isotopic_Weight	265.13140809
24849132	Undefined_Bond_Stereo_Count	0
3899	Rotatable_Bond_Count	2
60207207	Hydrogen_Bond_Acceptor_Count	2
97816	Undefined_Bond_Stereo_Count	0
544588	Defined_Atom_Stereo_Count	0
73958	Exact_Mass	110.073164938
22764074	Isotope_Atom_Count	0
4567	Hydrogen_Bond_Donor_Count	3
59646264	Structure_Complexity	382
71462631	Hydrogen_Bond_Acceptor_Count	4
167811	Exact_Mass	407.18616006
13598032	Hydrogen_Bond_Donor_Count	0
135441757	XLogP3	2.3
155977656	Hydrogen_Bond_Acceptor_Count	10
20417	Molecular_Weight	115.13
10457387	Undefined_Bond_Stereo_Count	0
68791	Covalent_Unit_Count	1
704754	Mono_Isotopic_Weight	346.17802393
10002668	Structure_Complexity	741
5792	XLogP3	2.4
449085	Molecular_Weight	124.08
258618	Defined_Bond_Stereo_Count	0
116842112	Molecular_Weight	109.17
71219	Isotope_Atom_Count	0
20727	Total_Formal_Charge	0
5738	Structure_Complexity	766
137512	Covalent_Unit_Count	1
15325996	Exact_Mass	95.037113783
468	Exact_Mass	586.31882799
8283	Defined_Bond_Stereo_Count	0
72016	Mono_Isotopic_Weight	216.126263138
34192	TPSA	45.6
21339024	Undefined_Atom_Stereo_Count	3
7048634	Structure_Complexity	674
69677	Non-hydrogen_Atom_Count	9
14265921	Total_Formal_Charge	0
25793	Hydrogen_Bond_Donor_Count	1
13359	Undefined_Bond_Stereo_Count	0
106358	Undefined_Atom_Stereo_Count	0
70692444	Molecular_Weight	291.5
414	Tautomer_Count	4
70696864	XLogP3-AA	2.1
88269064	Total_Formal_Charge	0
12052005	Total_Formal_Charge	0
694728	XLogP3	3
2192	Molecular_Weight	284.4
166606713	Defined_Atom_Stereo_Count	5
154474735	Non-hydrogen_Atom_Count	7
123234407	Hydrogen_Bond_Donor_Count	1
74431	Molecular_Weight	269.4
32731	Exact_Mass	336.04706368
7910	Structure_Complexity	41.4
22203	Defined_Bond_Stereo_Count	0
443605	Undefined_Atom_Stereo_Count	2
366	Hydrogen_Bond_Donor_Count	0
89886	Rotatable_Bond_Count	8
55067	Molecular_Weight	262.8
29011	Non-hydrogen_Atom_Count	3
5014	Covalent_Unit_Count	1
1250	Rotatable_Bond_Count	0
87075443	Undefined_Bond_Stereo_Count	0
99646	Hydrogen_Bond_Donor_Count	0
123400613	Defined_Bond_Stereo_Count	0
17995824	Rotatable_Bond_Count	0
10011883	Isotope_Atom_Count	0
23616699	Hydrogen_Bond_Acceptor_Count	5
6450531	TPSA	179
27655	Exact_Mass	151.9876363
317459	Covalent_Unit_Count	1
819440	Structure_Complexity	76.8
11149862	Structure_Complexity	332
101047267	Total_Formal_Charge	0
15405197	Covalent_Unit_Count	1
11631662	Rotatable_Bond_Count	5
51030054	Non-hydrogen_Atom_Count	30
11978451	Undefined_Atom_Stereo_Count	0
6426849	Exact_Mass	329.12969401
135801111	Isotope_Atom_Count	0
1240	Tautomer_Count	9
19382908	Isotope_Atom_Count	0
13751	Undefined_Bond_Stereo_Count	0
169536	Non-hydrogen_Atom_Count	18
53235510	TPSA	95.1
7848	Undefined_Bond_Stereo_Count	0
7814	Molecular_Weight	108.14
19843	Exact_Mass	210.136827821
9351	TPSA	63.8
6893	Molecular_Weight	121.18
12310	Structure_Complexity	58.6
80792	TPSA	26.3
21492261	Covalent_Unit_Count	1
128847	Covalent_Unit_Count	1
8130	XLogP3	2.3
21804	Isotope_Atom_Count	0
9340	Molecular_Weight	286.8
65612	Tautomer_Count	1
96227	Non-hydrogen_Atom_Count	16
53960	Undefined_Bond_Stereo_Count	0
60060441	Mono_Isotopic_Weight	72.00721064
50923	Isotope_Atom_Count	0
5479527	Exact_Mass	455.05694025
55900	Structure_Complexity	483
5360315	Isotope_Atom_Count	0
6451144	Tautomer_Count	1
601791	XLogP3	4.8
3219	Hydrogen_Bond_Donor_Count	0
37542	Structure_Complexity	304
23638	Undefined_Bond_Stereo_Count	0
1150897	Defined_Bond_Stereo_Count	0
47472	Undefined_Atom_Stereo_Count	1
8053	Undefined_Bond_Stereo_Count	0
11949285	Tautomer_Count	1
11315	Undefined_Atom_Stereo_Count	0
8383	Hydrogen_Bond_Donor_Count	0
36014	Tautomer_Count	1
22181493	Molecular_Weight	96.13
2365	Hydrogen_Bond_Acceptor_Count	2
134754219	Covalent_Unit_Count	1
86856	Molecular_Weight	116.16
70916	Defined_Atom_Stereo_Count	0
5360315	Hydrogen_Bond_Donor_Count	0
21124389	Hydrogen_Bond_Acceptor_Count	4
18484	Hydrogen_Bond_Acceptor_Count	4
16197730	Exact_Mass	1944.87636988
11796	XLogP3	3
11457675	Defined_Atom_Stereo_Count	0
81668	Hydrogen_Bond_Donor_Count	1
129787717	Undefined_Atom_Stereo_Count	0
446056	Rotatable_Bond_Count	4
10198924	Defined_Bond_Stereo_Count	0
3036640	Hydrogen_Bond_Acceptor_Count	11
130054486	Covalent_Unit_Count	1
6795	Rotatable_Bond_Count	0
21016055	TPSA	20.3
99027	Structure_Complexity	43.3
7693	Tautomer_Count	1
77232	Molecular_Weight	161.32
10796703	Covalent_Unit_Count	1
81531	Hydrogen_Bond_Acceptor_Count	1
24200857	TPSA	3.2
10096344	Defined_Bond_Stereo_Count	0
21719209	Hydrogen_Bond_Acceptor_Count	3
3082532	Undefined_Atom_Stereo_Count	2
692450	Total_Formal_Charge	0
23727689	Hydrogen_Bond_Donor_Count	1
216466	Non-hydrogen_Atom_Count	30
126843096	XLogP3-AA	1
24181110	Rotatable_Bond_Count	0
136316	Non-hydrogen_Atom_Count	8
12745213	Non-hydrogen_Atom_Count	8
34502	Molecular_Weight	612.97
9548696	Total_Formal_Charge	0
10291931	Defined_Bond_Stereo_Count	0
9892539	Hydrogen_Bond_Acceptor_Count	7
522606	Mono_Isotopic_Weight	121.9382805
58506875	Mono_Isotopic_Weight	285.209264485
54758599	Hydrogen_Bond_Acceptor_Count	30
19607	Rotatable_Bond_Count	8
127382	TPSA	92.7
523224	Mono_Isotopic_Weight	110.109550447
43558819	Mono_Isotopic_Weight	113.047678466
54022694	Undefined_Atom_Stereo_Count	1
19370497	Rotatable_Bond_Count	0
12576587	Defined_Bond_Stereo_Count	0
22094	Non-hydrogen_Atom_Count	22
55891	Defined_Atom_Stereo_Count	2
82513	Hydrogen_Bond_Acceptor_Count	2
24977371	Non-hydrogen_Atom_Count	8
67317342	Hydrogen_Bond_Donor_Count	1
517	Defined_Bond_Stereo_Count	0
54686904	TPSA	206
71323382	Mono_Isotopic_Weight	77.026549100
11954369	Mono_Isotopic_Weight	394.19556569
24866733	Undefined_Atom_Stereo_Count	0
90427261	Non-hydrogen_Atom_Count	8
8354	Rotatable_Bond_Count	1
157903531	Structure_Complexity	88.1
12622583	Molecular_Weight	110.20
107280	Hydrogen_Bond_Acceptor_Count	6
57400694	Undefined_Atom_Stereo_Count	0
71317118	XLogP3-AA	0.2
6451084	Rotatable_Bond_Count	14
68343	Defined_Bond_Stereo_Count	0
198707	Rotatable_Bond_Count	4
134085	Structure_Complexity	269
78601	Hydrogen_Bond_Donor_Count	0
57399672	Covalent_Unit_Count	1
135193	Tautomer_Count	3
11549937	Rotatable_Bond_Count	9
546	Exact_Mass	139.98746025
60873	XLogP3-AA	3.6
139062654	Rotatable_Bond_Count	4
15156556	Undefined_Atom_Stereo_Count	0
2646	Covalent_Unit_Count	1
9643	Molecular_Weight	232.94
19665	Rotatable_Bond_Count	7
91697	Structure_Complexity	179
12291486	Hydrogen_Bond_Donor_Count	0
55889	Undefined_Atom_Stereo_Count	0
42808	Rotatable_Bond_Count	1
72034	Covalent_Unit_Count	2
9554198	Non-hydrogen_Atom_Count	21
11219835	XLogP3-AA	3.1
5459830	Isotope_Atom_Count	0
72092	Structure_Complexity	600
759	Undefined_Atom_Stereo_Count	21
15330921	Hydrogen_Bond_Donor_Count	1
13745	Rotatable_Bond_Count	5
18142	Undefined_Atom_Stereo_Count	0
705	Tautomer_Count	48
55305	Rotatable_Bond_Count	4
12754	Hydrogen_Bond_Donor_Count	0
7895	Undefined_Bond_Stereo_Count	0
60203	Defined_Atom_Stereo_Count	0
163943218	Exact_Mass	116.083729621
154171248	Undefined_Atom_Stereo_Count	1
23091966	Defined_Atom_Stereo_Count	0
27503	Non-hydrogen_Atom_Count	36
67075257	Defined_Atom_Stereo_Count	0
850873	Defined_Atom_Stereo_Count	0
49853406	XLogP3-AA	1.7
18378694	Hydrogen_Bond_Donor_Count	1
9941379	Covalent_Unit_Count	1
132917192	Covalent_Unit_Count	1
165363121	XLogP3-AA	3.2
281	Rotatable_Bond_Count	0
71584401	Rotatable_Bond_Count	8
135398561	Undefined_Atom_Stereo_Count	0
60196395	Rotatable_Bond_Count	2
14743344	Covalent_Unit_Count	1
23682789	Defined_Atom_Stereo_Count	0
49865785	Rotatable_Bond_Count	5
11850698	Rotatable_Bond_Count	6
192627	TPSA	76.4
485482	Molecular_Weight	309.4
47641	Hydrogen_Bond_Acceptor_Count	1
24180714	Defined_Bond_Stereo_Count	0
94483	Covalent_Unit_Count	1
162895062	Rotatable_Bond_Count	3
90955914	Undefined_Bond_Stereo_Count	0
60196380	Non-hydrogen_Atom_Count	16
87886	Rotatable_Bond_Count	3
54676478	Hydrogen_Bond_Acceptor_Count	3
51397515	Mono_Isotopic_Weight	545.09131438
17948845	Hydrogen_Bond_Acceptor_Count	3
5311426	Defined_Atom_Stereo_Count	0
3048339	Non-hydrogen_Atom_Count	17
101348253	Exact_Mass	192.126263138
15568242	Structure_Complexity	62.7
117265443	Non-hydrogen_Atom_Count	8
130006807	Defined_Atom_Stereo_Count	0
91667979	Covalent_Unit_Count	1
13307026	Defined_Atom_Stereo_Count	0
71356769	Rotatable_Bond_Count	2
44392148	Rotatable_Bond_Count	9
54688	Covalent_Unit_Count	1
62130	Tautomer_Count	1
19083156	Total_Formal_Charge	0
46882191	Rotatable_Bond_Count	4
44339136	Mono_Isotopic_Weight	513.1158910
44392124	Non-hydrogen_Atom_Count	36
160534	Structure_Complexity	86.9
15773	Tautomer_Count	1
10200589	Molecular_Weight	393.4
10285	Rotatable_Bond_Count	0
74523	Hydrogen_Bond_Donor_Count	2
9843744	Covalent_Unit_Count	1
11073365	Defined_Bond_Stereo_Count	0
67502	Undefined_Bond_Stereo_Count	0
78383862	Isotope_Atom_Count	0
4678317	Molecular_Weight	83.09
23248	Molecular_Weight	222.28
5400866	Non-hydrogen_Atom_Count	19
91670	XLogP3	4.2
5538	Defined_Bond_Stereo_Count	0
11329359	Hydrogen_Bond_Acceptor_Count	9
657202	Molecular_Weight	282.4
5334	Rotatable_Bond_Count	4
5319022	Defined_Bond_Stereo_Count	1
135140866	Hydrogen_Bond_Acceptor_Count	2
11673085	Defined_Atom_Stereo_Count	1
86278347	Structure_Complexity	535
133562785	TPSA	662
5452	Structure_Complexity	432
136316	XLogP3-AA	2.1
137705114	Structure_Complexity	415
10707	TPSA	91.6
6165447	Total_Formal_Charge	0
105000	Mono_Isotopic_Weight	301.17902698
5413034	Total_Formal_Charge	0
594130	Defined_Bond_Stereo_Count	0
11184839	Hydrogen_Bond_Donor_Count	1
16136245	Isotope_Atom_Count	0
54738	Defined_Bond_Stereo_Count	0
69912	Isotope_Atom_Count	0
6432236	Undefined_Atom_Stereo_Count	0
2192	Isotope_Atom_Count	0
6918203	Rotatable_Bond_Count	3
6433427	Defined_Atom_Stereo_Count	0
6288	Defined_Atom_Stereo_Count	2
6392641	Structure_Complexity	697
9848990	Total_Formal_Charge	0
5215	Exact_Mass	250.05244675
5352133	Tautomer_Count	3
443369	Total_Formal_Charge	0
135950975	Covalent_Unit_Count	1
66908	Defined_Atom_Stereo_Count	0
151039	Mono_Isotopic_Weight	100.088815002
9816506	Covalent_Unit_Count	1
5388962	Covalent_Unit_Count	1
30885	Hydrogen_Bond_Acceptor_Count	4
154474669	Non-hydrogen_Atom_Count	7
636523	Undefined_Bond_Stereo_Count	0
14074	Exact_Mass	87.068413911
2810830	Isotope_Atom_Count	0
74952	Defined_Atom_Stereo_Count	0
2482	Molecular_Weight	193.24
36131	Rotatable_Bond_Count	9
12524	Isotope_Atom_Count	0
23677829	Defined_Atom_Stereo_Count	0
16211101	Undefined_Atom_Stereo_Count	0
364704	Hydrogen_Bond_Acceptor_Count	6
13474789	Defined_Atom_Stereo_Count	0
21854522	Hydrogen_Bond_Acceptor_Count	18
84179	Mono_Isotopic_Weight	163.099714038
72926	Structure_Complexity	215
138059757	Defined_Bond_Stereo_Count	0
3034828	Hydrogen_Bond_Donor_Count	9
67502	Undefined_Atom_Stereo_Count	0
14954	TPSA	55.4
7135	Defined_Atom_Stereo_Count	0
56598471	Molecular_Weight	406.4
21789	Total_Formal_Charge	0
7482	Defined_Atom_Stereo_Count	0
60165657	Non-hydrogen_Atom_Count	25
1550846	Non-hydrogen_Atom_Count	10
65835	Defined_Bond_Stereo_Count	0
56928166	Molecular_Weight	2070.2
443984	Non-hydrogen_Atom_Count	29
17613	Molecular_Weight	150.64
11088	Isotope_Atom_Count	0
71824	Molecular_Weight	128.22
12291486	XLogP3-AA	2.2
82418987	Molecular_Weight	111.14
84720	Molecular_Weight	266.5
4679699	Defined_Atom_Stereo_Count	0
57501504	Hydrogen_Bond_Acceptor_Count	14
135540987	Exact_Mass	409.15974809
123385940	Undefined_Atom_Stereo_Count	4
9862646	Undefined_Bond_Stereo_Count	0
54726192	Defined_Bond_Stereo_Count	0
23103	Molecular_Weight	191.23
5726	TPSA	93.2
681963	Molecular_Weight	257.33
16204478	Hydrogen_Bond_Acceptor_Count	5
10131132	Structure_Complexity	222
14502695	Structure_Complexity	109
26106	Rotatable_Bond_Count	3
66124	Undefined_Atom_Stereo_Count	0
67412	Non-hydrogen_Atom_Count	10
87017	Defined_Atom_Stereo_Count	0
10964421	Undefined_Atom_Stereo_Count	0
633	Rotatable_Bond_Count	23
18985	Total_Formal_Charge	0
26035	Molecular_Weight	326.5
7248	Hydrogen_Bond_Donor_Count	1
6844	Rotatable_Bond_Count	1
12620	Hydrogen_Bond_Donor_Count	1
18327808	Defined_Atom_Stereo_Count	0
139062015	Molecular_Weight	335.6
398635	XLogP3-AA	5
10292887	Undefined_Atom_Stereo_Count	0
101982233	Hydrogen_Bond_Acceptor_Count	0
24096961	Total_Formal_Charge	0
68909	Defined_Bond_Stereo_Count	0
1139	Undefined_Atom_Stereo_Count	3
394428	Isotope_Atom_Count	0
65601	Total_Formal_Charge	0
3090	Mono_Isotopic_Weight	141.053826475
91411367	Hydrogen_Bond_Acceptor_Count	0
82755	Defined_Bond_Stereo_Count	0
88866	Structure_Complexity	299
3014096	Exact_Mass	139.01953253
10197625	Exact_Mass	89.084063974
146159626	Rotatable_Bond_Count	5
15559460	Undefined_Atom_Stereo_Count	5
129864969	Molecular_Weight	388.4
70652	Rotatable_Bond_Count	4
12312963	Exact_Mass	94.053098200
73449854	Structure_Complexity	1020
71452602	Covalent_Unit_Count	1
10313102	Undefined_Bond_Stereo_Count	0
131876601	Hydrogen_Bond_Acceptor_Count	16
1546	Undefined_Bond_Stereo_Count	0
87642220	Hydrogen_Bond_Donor_Count	8
6983	Non-hydrogen_Atom_Count	12
54511	Tautomer_Count	2
131673845	TPSA	726
1921	Hydrogen_Bond_Donor_Count	1
165141	Defined_Bond_Stereo_Count	0
21058	Mono_Isotopic_Weight	309.993027
125409	Non-hydrogen_Atom_Count	10
6858209	Undefined_Atom_Stereo_Count	0
44338784	Non-hydrogen_Atom_Count	34
44563178	Rotatable_Bond_Count	5
2283	TPSA	556
71745	Hydrogen_Bond_Donor_Count	2
91694113	Structure_Complexity	298
201652	XLogP3-AA	3
4739	Isotope_Atom_Count	0
159190124	Exact_Mass	1201.84136802
243859	Mono_Isotopic_Weight	115.099714038
121639	TPSA	150
136721436	Hydrogen_Bond_Acceptor_Count	7
67482131	XLogP3-AA	1.2
54382	Undefined_Bond_Stereo_Count	1
76538949	Mono_Isotopic_Weight	102.079312947
747268	Rotatable_Bond_Count	3
70610	Rotatable_Bond_Count	5
12544003	Non-hydrogen_Atom_Count	7
17162	Hydrogen_Bond_Donor_Count	0
131801471	Non-hydrogen_Atom_Count	457
5283134	Tautomer_Count	4
111318	Structure_Complexity	697
5289394	Tautomer_Count	4
1133	Rotatable_Bond_Count	1
95433	Rotatable_Bond_Count	2
24848382	Undefined_Atom_Stereo_Count	0
21760452	Hydrogen_Bond_Acceptor_Count	3
11518211	Structure_Complexity	699
52161	Exact_Mass	71.073499291
53627566	Structure_Complexity	29.8
1821	Defined_Bond_Stereo_Count	0
317846	Rotatable_Bond_Count	1
77996	Covalent_Unit_Count	1
101630689	Undefined_Atom_Stereo_Count	0
21778241	Total_Formal_Charge	0
10367	Defined_Atom_Stereo_Count	0
137151	Hydrogen_Bond_Acceptor_Count	1
57401369	Isotope_Atom_Count	0
57236595	TPSA	46.5
95961	Molecular_Weight	140.14
44563145	Exact_Mass	382.19173754
19012	Hydrogen_Bond_Donor_Count	2
57856017	Covalent_Unit_Count	1
67782238	Defined_Bond_Stereo_Count	0
91881846	Rotatable_Bond_Count	7
28430	Isotope_Atom_Count	0
11569	Defined_Atom_Stereo_Count	0
14822542	Structure_Complexity	457
5736	Defined_Atom_Stereo_Count	0
6995749	Defined_Atom_Stereo_Count	0
143494565	Exact_Mass	109.063997236
644241	Undefined_Atom_Stereo_Count	0
692352	Non-hydrogen_Atom_Count	19
9922187	Exact_Mass	295.168462302
60196366	Hydrogen_Bond_Donor_Count	6
5460263	TPSA	66.2
20623556	Defined_Bond_Stereo_Count	0
10909482	Defined_Atom_Stereo_Count	0
26956	Undefined_Bond_Stereo_Count	1
129633772	Exact_Mass	342.11621151
9936	Undefined_Bond_Stereo_Count	0
11786594	TPSA	132
125462886	Rotatable_Bond_Count	12
57266564	Isotope_Atom_Count	0
125468	Exact_Mass	100.052429494
19743370	Mono_Isotopic_Weight	116.083729621
9434	Isotope_Atom_Count	0
4713	Rotatable_Bond_Count	2
21493122	Non-hydrogen_Atom_Count	7
135398737	Defined_Atom_Stereo_Count	0
6641	TPSA	18.5
9967	Undefined_Bond_Stereo_Count	0
17750388	Structure_Complexity	69.7
89982	Hydrogen_Bond_Donor_Count	2
136504	Defined_Bond_Stereo_Count	0
123626564	Isotope_Atom_Count	0
6427770	Defined_Bond_Stereo_Count	0
2733531	Total_Formal_Charge	0
116047519	Molecular_Weight	113.16
246206	Total_Formal_Charge	0
6539003	Defined_Bond_Stereo_Count	0
12573	Covalent_Unit_Count	1
7774	Molecular_Weight	228.28
3878	Mono_Isotopic_Weight	255.0078506
134008	Mono_Isotopic_Weight	228.99796882
69262871	Covalent_Unit_Count	1
13248942	Molecular_Weight	114.17
9884029	Undefined_Bond_Stereo_Count	0
56672299	Total_Formal_Charge	0
126456023	Hydrogen_Bond_Donor_Count	3
1474853	Structure_Complexity	466
72392	Hydrogen_Bond_Donor_Count	8
96132	Covalent_Unit_Count	1
129803162	Undefined_Atom_Stereo_Count	1
58463204	Molecular_Weight	108.18
93841	Molecular_Weight	258.31
15808	Non-hydrogen_Atom_Count	15
6847	Hydrogen_Bond_Acceptor_Count	2
18941761	Total_Formal_Charge	0
153648135	Non-hydrogen_Atom_Count	7
66628308	Isotope_Atom_Count	0
69440016	TPSA	121
60196410	Exact_Mass	588.2463106
13751	Defined_Atom_Stereo_Count	0
5743836	Defined_Bond_Stereo_Count	0
56841603	Total_Formal_Charge	0
32803	XLogP3-AA	0.6
5831	Covalent_Unit_Count	2
97860	Total_Formal_Charge	0
20728	Exact_Mass	416.25627424
114681	Rotatable_Bond_Count	1
7511	Defined_Bond_Stereo_Count	0
159778730	XLogP3-AA	2.5
54605501	TPSA	138
444013	Molecular_Weight	661.8
88532	Hydrogen_Bond_Acceptor_Count	13
409453	Covalent_Unit_Count	1
2764407	Defined_Atom_Stereo_Count	0
91667835	Molecular_Weight	415.6
40466996	Undefined_Bond_Stereo_Count	0
6024631	Defined_Bond_Stereo_Count	1
118379	Defined_Atom_Stereo_Count	0
66827	Hydrogen_Bond_Acceptor_Count	2
449101	Undefined_Bond_Stereo_Count	0
45255840	Hydrogen_Bond_Acceptor_Count	4
90983396	Covalent_Unit_Count	1
44146693	Hydrogen_Bond_Acceptor_Count	6
328257	Exact_Mass	97.052763847
984821	Mono_Isotopic_Weight	395.13688739
5746387	XLogP3	0.9
65955	Defined_Atom_Stereo_Count	0
6918558	Hydrogen_Bond_Acceptor_Count	4
68234591	Defined_Atom_Stereo_Count	0
53595	Molecular_Weight	687.8
68210102	Defined_Bond_Stereo_Count	0
129228	Rotatable_Bond_Count	3
53712606	Mono_Isotopic_Weight	96.093900383
4162420	Covalent_Unit_Count	1
445318	Hydrogen_Bond_Acceptor_Count	6
11985	Rotatable_Bond_Count	0
30360	XLogP3	1.5
637939	Undefined_Atom_Stereo_Count	0
447715	Defined_Atom_Stereo_Count	11
5284584	Exact_Mass	367.0934984
22132384	Total_Formal_Charge	0
91847008	Non-hydrogen_Atom_Count	23
12768628	Defined_Atom_Stereo_Count	0
12202	Rotatable_Bond_Count	6
20493118	Isotope_Atom_Count	0
15439201	Molecular_Weight	109.13
104778	Isotope_Atom_Count	0
73648	Mono_Isotopic_Weight	388.11581759
17961316	TPSA	46.2
59290	Undefined_Atom_Stereo_Count	5
39593	Undefined_Atom_Stereo_Count	0
170249	Molecular_Weight	152.62
23274077	XLogP3	1.6
2804997	Undefined_Atom_Stereo_Count	0
9419	Isotope_Atom_Count	0
95269	Undefined_Atom_Stereo_Count	2
11769408	Exact_Mass	195.125928785
9332	Exact_Mass	219.07727831
885959	XLogP3-AA	3.1
73246	TPSA	183
9885626	Hydrogen_Bond_Acceptor_Count	5
47567	Defined_Bond_Stereo_Count	0
60196433	Molecular_Weight	894.0
135400471	Mono_Isotopic_Weight	241.085126602
90471707	Defined_Bond_Stereo_Count	0
89646	Rotatable_Bond_Count	1
1094	Hydrogen_Bond_Donor_Count	4
11952498	Isotope_Atom_Count	0
1476679	Isotope_Atom_Count	0
91511	Tautomer_Count	1
12688299	Defined_Bond_Stereo_Count	0
60695	Molecular_Weight	609.7
94355	Total_Formal_Charge	0
19083156	Isotope_Atom_Count	0
14081616	Total_Formal_Charge	0
11650986	Hydrogen_Bond_Donor_Count	4
14866914	Mono_Isotopic_Weight	102.031694049
4673	Tautomer_Count	1
89572	Molecular_Weight	214.64
5246258	Rotatable_Bond_Count	1
292429	Structure_Complexity	590
657308	Mono_Isotopic_Weight	411.14091
91326539	Molecular_Weight	96.17
133612130	Hydrogen_Bond_Donor_Count	3
53477781	Molecular_Weight	368.5
87438804	Exact_Mass	104.094963011
10275789	XLogP3-AA	3.8
79828	Undefined_Atom_Stereo_Count	0
24825264	Total_Formal_Charge	0
517106	Defined_Bond_Stereo_Count	0
54751657	Structure_Complexity	971
537329	Total_Formal_Charge	0
135985157	Mono_Isotopic_Weight	113.022526347
23057994	Structure_Complexity	63.5
24776140	Undefined_Bond_Stereo_Count	0
10203245	Hydrogen_Bond_Acceptor_Count	9
572254	Hydrogen_Bond_Acceptor_Count	2
5282280	Hydrogen_Bond_Donor_Count	2
7343	Rotatable_Bond_Count	3
16005261	Hydrogen_Bond_Acceptor_Count	2
4953	Covalent_Unit_Count	1
6918257	Defined_Atom_Stereo_Count	0
13661	Defined_Atom_Stereo_Count	0
6316	Exact_Mass	260.0927701
22168583	Structure_Complexity	300
47676	Isotope_Atom_Count	0
462919	Defined_Atom_Stereo_Count	0
89349947	Non-hydrogen_Atom_Count	8
139081225	Covalent_Unit_Count	1
97524	Structure_Complexity	266
49863420	Exact_Mass	667.18292334
6326281	Hydrogen_Bond_Acceptor_Count	2
9590	TPSA	45.8
118946	Undefined_Atom_Stereo_Count	0
587322	Hydrogen_Bond_Donor_Count	0
54682469	TPSA	182
24848191	Rotatable_Bond_Count	3
71296943	Undefined_Bond_Stereo_Count	1
141543352	XLogP3-AA	1.1
379	Covalent_Unit_Count	1
2771013	Rotatable_Bond_Count	1
31284	XLogP3	6.8
50312	Exact_Mass	370.97783
446576	Exact_Mass	193.0519578
1584822	Isotope_Atom_Count	0
25137911	Undefined_Atom_Stereo_Count	1
8995	Structure_Complexity	174
129866430	Structure_Complexity	208
13639659	Defined_Bond_Stereo_Count	0
53631822	XLogP3-AA	0.3
6328657	Undefined_Bond_Stereo_Count	0
2296	Exact_Mass	491.20563565
129653817	Non-hydrogen_Atom_Count	9
10028830	Hydrogen_Bond_Donor_Count	4
10931393	Hydrogen_Bond_Acceptor_Count	2
12375	Tautomer_Count	1
57267838	Hydrogen_Bond_Acceptor_Count	2
2724640	Structure_Complexity	136
13997619	Structure_Complexity	79.8
9852904	Non-hydrogen_Atom_Count	47
11366953	Hydrogen_Bond_Acceptor_Count	0
12794201	Exact_Mass	97.052763847
4782	Undefined_Atom_Stereo_Count	1
14416612	Rotatable_Bond_Count	1
9578	Exact_Mass	245.91035
667550	Isotope_Atom_Count	0
78323835	Hydrogen_Bond_Acceptor_Count	6
96922	Mono_Isotopic_Weight	114.02516937
53569	Isotope_Atom_Count	0
24648	XLogP3-AA	1.2
4427	Covalent_Unit_Count	1
746471	Isotope_Atom_Count	0
23269081	Defined_Atom_Stereo_Count	0
9975824	Molecular_Weight	361.16
65111	Structure_Complexity	123
642781	Hydrogen_Bond_Donor_Count	0
20140	Tautomer_Count	3
615	Non-hydrogen_Atom_Count	14
20392430	Hydrogen_Bond_Donor_Count	1
357772	Rotatable_Bond_Count	5
13112141	Non-hydrogen_Atom_Count	8
92253	Undefined_Atom_Stereo_Count	0
10004622	Non-hydrogen_Atom_Count	34
74663	Defined_Bond_Stereo_Count	0
104677	Mono_Isotopic_Weight	195.01024758
95866	Defined_Atom_Stereo_Count	0
131704316	Exact_Mass	898.40871
14416506	Total_Formal_Charge	0
44962	Hydrogen_Bond_Acceptor_Count	3
89738	Exact_Mass	102.042927438
21417010	Non-hydrogen_Atom_Count	8
44864	Rotatable_Bond_Count	5
219990	Structure_Complexity	212
104973	Covalent_Unit_Count	1
15620	TPSA	25.3
21843609	Non-hydrogen_Atom_Count	7
3025803	Defined_Atom_Stereo_Count	0
12115801	Rotatable_Bond_Count	0
9848	Mono_Isotopic_Weight	87.048427358
11546350	Undefined_Atom_Stereo_Count	0
73509	Covalent_Unit_Count	1
6539297	Exact_Mass	368.10554495
529432	Undefined_Bond_Stereo_Count	0
65013	Defined_Bond_Stereo_Count	0
9934347	Non-hydrogen_Atom_Count	33
14020430	XLogP3-AA	0.4
42602351	Covalent_Unit_Count	1
11360680	Isotope_Atom_Count	0
138106567	Covalent_Unit_Count	13
94675	Molecular_Weight	262.23
10866290	Hydrogen_Bond_Donor_Count	0
984170	Rotatable_Bond_Count	3
6096880	Rotatable_Bond_Count	7
2724277	Non-hydrogen_Atom_Count	14
7401	Rotatable_Bond_Count	2
118984396	Covalent_Unit_Count	2
126992483	Total_Formal_Charge	0
62485	Defined_Bond_Stereo_Count	0
3034287	Hydrogen_Bond_Donor_Count	1
2736548	Undefined_Bond_Stereo_Count	0
20514195	Mono_Isotopic_Weight	103.063328530
3053755	Defined_Bond_Stereo_Count	0
50894	Mono_Isotopic_Weight	308.17360725
242436	Structure_Complexity	487
2180	Tautomer_Count	1
12885796	Mono_Isotopic_Weight	116.120115130
172717	Rotatable_Bond_Count	3
40931	XLogP3-AA	6.7
17945614	Structure_Complexity	82.5
129716995	Structure_Complexity	388
62705861	Total_Formal_Charge	0
69930345	Total_Formal_Charge	0
51055169	Non-hydrogen_Atom_Count	36
54120934	Molecular_Weight	99.09
57641	Hydrogen_Bond_Acceptor_Count	3
66885	Hydrogen_Bond_Donor_Count	2
6051	Defined_Atom_Stereo_Count	0
643732	TPSA	74.6
76223836	Hydrogen_Bond_Acceptor_Count	2
10899025	Isotope_Atom_Count	0
53643410	Structure_Complexity	66.7
512289	Covalent_Unit_Count	1
145627882	Defined_Bond_Stereo_Count	0
106999	Isotope_Atom_Count	0
34870	Isotope_Atom_Count	0
20758492	Mono_Isotopic_Weight	483.96852877
7196	XLogP3	0.4
14385	Total_Formal_Charge	0
1524	Defined_Atom_Stereo_Count	0
439201	Exact_Mass	1059.56139820
19101067	XLogP3-AA	0.9
82191	Defined_Atom_Stereo_Count	0
524314	Undefined_Atom_Stereo_Count	0
13334302	Covalent_Unit_Count	1
6002001	Non-hydrogen_Atom_Count	31
11957463	Defined_Bond_Stereo_Count	0
477	Defined_Atom_Stereo_Count	0
75252	XLogP3-AA	2.5
101925	Hydrogen_Bond_Donor_Count	2
3424274	Non-hydrogen_Atom_Count	11
73415816	Rotatable_Bond_Count	6
76958180	Undefined_Bond_Stereo_Count	0
636750	Undefined_Atom_Stereo_Count	0
383414	Total_Formal_Charge	0
57131886	Hydrogen_Bond_Acceptor_Count	1
29359	Total_Formal_Charge	0
71762	Non-hydrogen_Atom_Count	73
57504266	Mono_Isotopic_Weight	452.1363662
24963	Tautomer_Count	1
26318	Hydrogen_Bond_Acceptor_Count	0
78968	Non-hydrogen_Atom_Count	6
12432039	Mono_Isotopic_Weight	82.053098200
53446942	Covalent_Unit_Count	1
58291777	Total_Formal_Charge	0
87329230	Defined_Bond_Stereo_Count	0
133269698	Exact_Mass	342.11621151
16722832	XLogP3-AA	4.2
138477	Defined_Bond_Stereo_Count	0
1385867	Rotatable_Bond_Count	3
77907	Rotatable_Bond_Count	2
24642	Exact_Mass	239.94328
5935	Molecular_Weight	192.5
27934	Defined_Atom_Stereo_Count	0
73648	Non-hydrogen_Atom_Count	28
77507	Non-hydrogen_Atom_Count	15
45120722	Rotatable_Bond_Count	0
57930746	Defined_Atom_Stereo_Count	0
10021783	Molecular_Weight	366.3
10917	Molecular_Weight	161.20
22858512	Exact_Mass	121.917853
135566433	Defined_Atom_Stereo_Count	0
99451	Undefined_Atom_Stereo_Count	0
60606	TPSA	57.8
26383	Hydrogen_Bond_Donor_Count	1
644131	Hydrogen_Bond_Donor_Count	6
68135832	Undefined_Bond_Stereo_Count	0
40467849	Rotatable_Bond_Count	1
32336	Exact_Mass	430.24204178
22613925	Covalent_Unit_Count	2
83674	Mono_Isotopic_Weight	169.90096141
44629600	Rotatable_Bond_Count	12
21362	Hydrogen_Bond_Donor_Count	6
117616350	Defined_Atom_Stereo_Count	6
453251	Defined_Atom_Stereo_Count	0
644235	Tautomer_Count	1
5281224	Defined_Bond_Stereo_Count	9
20298594	XLogP3-AA	0.3
57391320	TPSA	78.2
14717795	Covalent_Unit_Count	1
12164	Defined_Bond_Stereo_Count	0
10220511	Defined_Atom_Stereo_Count	0
656842	Structure_Complexity	629
2898877	Hydrogen_Bond_Donor_Count	2
135403804	Undefined_Bond_Stereo_Count	0
66082	Rotatable_Bond_Count	2
24832040	Undefined_Atom_Stereo_Count	0
36647	Hydrogen_Bond_Donor_Count	0
141850000	Covalent_Unit_Count	1
7773	Exact_Mass	398.33960994
176077	Structure_Complexity	132
7265	Structure_Complexity	99.1
10675	Mono_Isotopic_Weight	398.1509537
22878123	Total_Formal_Charge	0
454	Tautomer_Count	2
123804812	Mono_Isotopic_Weight	94.078250319
6450551	Undefined_Atom_Stereo_Count	0
398745	TPSA	36.3
88464430	Structure_Complexity	80.5
6919051	Covalent_Unit_Count	1
4392	Hydrogen_Bond_Donor_Count	4
1176	Tautomer_Count	2
139059561	Structure_Complexity	160
130124970	Structure_Complexity	110
7087	Defined_Bond_Stereo_Count	0
283	Tautomer_Count	1
3758	Structure_Complexity	318
177085	Undefined_Atom_Stereo_Count	0
65871	TPSA	113
260716	Non-hydrogen_Atom_Count	8
75821	Molecular_Weight	162.18
53643	Isotope_Atom_Count	0
73707684	Structure_Complexity	79.8
55255285	Undefined_Bond_Stereo_Count	0
6021893	Undefined_Bond_Stereo_Count	0
11908385	TPSA	190
10419143	Total_Formal_Charge	0
129851390	XLogP3-AA	1.4
118701745	Structure_Complexity	1440
387179	Non-hydrogen_Atom_Count	10
846942	Molecular_Weight	243.28
161729	Hydrogen_Bond_Acceptor_Count	4
154214	Defined_Bond_Stereo_Count	0
71622657	Exact_Mass	304.157563266
44392244	Undefined_Bond_Stereo_Count	0
10632854	Exact_Mass	223.063328530
57395447	Defined_Bond_Stereo_Count	0
19601345	Mono_Isotopic_Weight	87.068413911
60839	Structure_Complexity	406
9547928	Isotope_Atom_Count	0
11170938	Covalent_Unit_Count	1
63390	Defined_Bond_Stereo_Count	0
21930930	Molecular_Weight	108.10
34933	Rotatable_Bond_Count	4
83167	Structure_Complexity	299
1344	Mono_Isotopic_Weight	114.115698455
60196414	Undefined_Bond_Stereo_Count	0
23397	Non-hydrogen_Atom_Count	14
22902239	Molecular_Weight	94.11
93128	TPSA	35.5
82752	Molecular_Weight	398.6
5367460	Structure_Complexity	327
135413554	Isotope_Atom_Count	0
640194	Covalent_Unit_Count	1
86278347	Molecular_Weight	447.5
130443288	Mono_Isotopic_Weight	1201.84136802
118578546	Hydrogen_Bond_Acceptor_Count	2
143811683	Defined_Atom_Stereo_Count	0
51886	Hydrogen_Bond_Acceptor_Count	4
3326923	Molecular_Weight	205.27
10391	Hydrogen_Bond_Acceptor_Count	1
7016383	Tautomer_Count	2
1044	Mono_Isotopic_Weight	120.043596145
72666	Defined_Atom_Stereo_Count	0
121601231	Total_Formal_Charge	0
13382623	Exact_Mass	106.053098200
21984	Defined_Bond_Stereo_Count	0
1335	Molecular_Weight	133.15
1481	Mono_Isotopic_Weight	366.055628
135016365	Covalent_Unit_Count	1
24208	Hydrogen_Bond_Acceptor_Count	3
21617751	Exact_Mass	113.084063974
14768	Structure_Complexity	26.3
36652	Covalent_Unit_Count	1
75445	Molecular_Weight	477.7
94179	Undefined_Atom_Stereo_Count	0
7423	Mono_Isotopic_Weight	138.042927438
70582	Molecular_Weight	328.16
411312	Total_Formal_Charge	0
11542775	Defined_Atom_Stereo_Count	0
12749319	Isotope_Atom_Count	0
16969	Non-hydrogen_Atom_Count	9
911106	TPSA	32.7
107782	Hydrogen_Bond_Donor_Count	4
497377	Rotatable_Bond_Count	5
2723866	Molecular_Weight	215.63
146396	Hydrogen_Bond_Acceptor_Count	5
12190	Mono_Isotopic_Weight	120.078644241
22760862	Isotope_Atom_Count	0
14440697	Mono_Isotopic_Weight	364.10592162
534566	Covalent_Unit_Count	1
23672325	Covalent_Unit_Count	2
22149470	TPSA	29
21908889	Hydrogen_Bond_Donor_Count	3
123791702	Non-hydrogen_Atom_Count	7
136726	Undefined_Atom_Stereo_Count	2
73854	Isotope_Atom_Count	0
20996	Exact_Mass	246.2114287
12354987	Defined_Bond_Stereo_Count	0
41465	Tautomer_Count	1
247673	Exact_Mass	545.19104822
94865124	Defined_Atom_Stereo_Count	16
14852477	Defined_Atom_Stereo_Count	0
73820465	Mono_Isotopic_Weight	482.15768240
11052038	Non-hydrogen_Atom_Count	6
79088	Undefined_Atom_Stereo_Count	0
39174	Covalent_Unit_Count	3
14510872	Covalent_Unit_Count	1
23423585	Rotatable_Bond_Count	1
12885790	Structure_Complexity	101
137072	Molecular_Weight	96.17
1329	Exact_Mass	304.18992602
37888437	Isotope_Atom_Count	0
21953621	Mono_Isotopic_Weight	316.09468823
137331882	Hydrogen_Bond_Donor_Count	1
163050679	Structure_Complexity	415
49778730	TPSA	96.3
5376979	Structure_Complexity	305
71449988	Defined_Atom_Stereo_Count	0
2529	Undefined_Atom_Stereo_Count	2
12642	Exact_Mass	106.0185425
14678666	XLogP3-AA	0
163199229	Defined_Atom_Stereo_Count	4
61104	Defined_Bond_Stereo_Count	0
53824461	Covalent_Unit_Count	1
67736	Mono_Isotopic_Weight	945.85178
461399	Mono_Isotopic_Weight	409.1004755
91754	Undefined_Bond_Stereo_Count	0
161656	Tautomer_Count	1
3495982	Mono_Isotopic_Weight	250.07759887
11317	Undefined_Bond_Stereo_Count	0
152274	Total_Formal_Charge	0
88666	TPSA	35.2
793266	Mono_Isotopic_Weight	262.0621387
521983	Structure_Complexity	93.5
51356843	Defined_Bond_Stereo_Count	0
124409111	Mono_Isotopic_Weight	342.11621151
68741	Mono_Isotopic_Weight	399.27734404
98473	Rotatable_Bond_Count	5
2709	Defined_Bond_Stereo_Count	0
68321900	Exact_Mass	365.17394160
141315890	Isotope_Atom_Count	0
13017912	Isotope_Atom_Count	0
10138260	TPSA	107
153830378	Mono_Isotopic_Weight	116.083729621
156323004	Covalent_Unit_Count	1
75472	Non-hydrogen_Atom_Count	12
5906	Non-hydrogen_Atom_Count	12
5460626	Defined_Atom_Stereo_Count	0
6321253	Hydrogen_Bond_Acceptor_Count	2
8969	Hydrogen_Bond_Acceptor_Count	4
25037407	Structure_Complexity	638
12898	Undefined_Bond_Stereo_Count	0
174782	Molecular_Weight	847.5
9486	Undefined_Atom_Stereo_Count	0
23718384	Structure_Complexity	477
91460	Undefined_Atom_Stereo_Count	0
11995188	Total_Formal_Charge	0
9002	Rotatable_Bond_Count	2
49865732	TPSA	87.9
44392103	Covalent_Unit_Count	1
40361	Defined_Bond_Stereo_Count	0
3086637	Exact_Mass	482.12129689
11599	Hydrogen_Bond_Donor_Count	0
56663238	Non-hydrogen_Atom_Count	31
544627	Undefined_Atom_Stereo_Count	0
86088606	Exact_Mass	112.052429494
4498	Hydrogen_Bond_Donor_Count	2
6328657	Undefined_Atom_Stereo_Count	0
15927	Mono_Isotopic_Weight	186.99966
30773	Hydrogen_Bond_Acceptor_Count	6
91438571	XLogP3-AA	1.5
123377064	Rotatable_Bond_Count	0
93125	Total_Formal_Charge	0
80483237	Mono_Isotopic_Weight	108.057514874
6419941	Structure_Complexity	340
18410302	Hydrogen_Bond_Acceptor_Count	3
6918637	TPSA	98.7
538333	TPSA	26.3
656609	Mono_Isotopic_Weight	477.21832559
17480032	Mono_Isotopic_Weight	343.08380644
5310805	Hydrogen_Bond_Acceptor_Count	5
10297	Tautomer_Count	1
3497012	Undefined_Atom_Stereo_Count	0
71668	Hydrogen_Bond_Acceptor_Count	2
23695982	Rotatable_Bond_Count	1
23914	Isotope_Atom_Count	0
62425	Mono_Isotopic_Weight	282.0204996
12340	Undefined_Atom_Stereo_Count	0
736	Hydrogen_Bond_Acceptor_Count	6
72941969	Defined_Atom_Stereo_Count	39
74839	Non-hydrogen_Atom_Count	15
6426773	TPSA	136
1549062	Molecular_Weight	268.2
78096	Hydrogen_Bond_Donor_Count	3
6476333	Mono_Isotopic_Weight	624.20542044
6537502	TPSA	455
77372	Covalent_Unit_Count	1
135398748	Hydrogen_Bond_Acceptor_Count	5
14545018	Undefined_Atom_Stereo_Count	0
6321424	XLogP3-AA	4.1
23677323	Defined_Atom_Stereo_Count	0
4041	Hydrogen_Bond_Donor_Count	0
97698	Non-hydrogen_Atom_Count	14
1053	Tautomer_Count	6
58093	Hydrogen_Bond_Donor_Count	1
11625778	Molecular_Weight	413.5
11332471	Molecular_Weight	128.09
135403591	Hydrogen_Bond_Acceptor_Count	3
95934	Total_Formal_Charge	0
23703979	Defined_Atom_Stereo_Count	0
4167	Hydrogen_Bond_Acceptor_Count	2
11046239	Hydrogen_Bond_Acceptor_Count	6
61185	Defined_Bond_Stereo_Count	0
6956324	Hydrogen_Bond_Acceptor_Count	3
156419	Non-hydrogen_Atom_Count	26
1078	Tautomer_Count	3
3081884	Isotope_Atom_Count	0
9043	TPSA	58.2
6642	Rotatable_Bond_Count	5
92386	TPSA	35.5
5388993	Defined_Bond_Stereo_Count	0
12867435	Non-hydrogen_Atom_Count	7
57392503	Molecular_Weight	403.6
6433266	Total_Formal_Charge	0
168623	Exact_Mass	365.2121570
12577	Exact_Mass	157.00112220
134160331	TPSA	21.7
162651	Exact_Mass	79.9377699
74732	Tautomer_Count	2
117616350	Isotope_Atom_Count	0
212	Non-hydrogen_Atom_Count	24
2002	Defined_Bond_Stereo_Count	0
57874	Exact_Mass	312.183778013
118984445	Isotope_Atom_Count	0
8775	Isotope_Atom_Count	0
79008	Isotope_Atom_Count	0
3000	Hydrogen_Bond_Donor_Count	2
70060	TPSA	75.4
71451929	Covalent_Unit_Count	1
130145308	TPSA	40.5
75866	Hydrogen_Bond_Acceptor_Count	1
106824140	Non-hydrogen_Atom_Count	8
54686187	Hydrogen_Bond_Donor_Count	9
25087171	Defined_Bond_Stereo_Count	0
71684354	Exact_Mass	298.12050905
64617	Covalent_Unit_Count	1
21121497	Defined_Bond_Stereo_Count	0
56149	TPSA	46.5
9961434	Structure_Complexity	802
135398595	Defined_Atom_Stereo_Count	3
23379007	Rotatable_Bond_Count	0
5458585	Rotatable_Bond_Count	15
44392111	Covalent_Unit_Count	1
309734	TPSA	29.1
15940949	Hydrogen_Bond_Donor_Count	4
170327	XLogP3-AA	7.7
5360516	Hydrogen_Bond_Acceptor_Count	5
72401	TPSA	162
9877746	Total_Formal_Charge	0
12067680	Isotope_Atom_Count	0
61660	Non-hydrogen_Atom_Count	10
10039361	XLogP3-AA	1.2
70815	Structure_Complexity	239
79324217	Total_Formal_Charge	0
869	Hydrogen_Bond_Donor_Count	10
3038525	Non-hydrogen_Atom_Count	28
71511839	Non-hydrogen_Atom_Count	71
15793001	XLogP3-AA	0.2
20607721	Exact_Mass	94.078250319
46782942	Non-hydrogen_Atom_Count	25
139149	Defined_Bond_Stereo_Count	0
5329	Isotope_Atom_Count	0
119093923	Structure_Complexity	131
60196287	Defined_Bond_Stereo_Count	0
42865	Hydrogen_Bond_Donor_Count	2
60602	Rotatable_Bond_Count	11
76771	Rotatable_Bond_Count	1
587322	Exact_Mass	419.972292
13672885	Rotatable_Bond_Count	3
22977906	Undefined_Bond_Stereo_Count	0
2828708	TPSA	29.1
73952292	Hydrogen_Bond_Donor_Count	7
5479527	Defined_Bond_Stereo_Count	1
9847164	Hydrogen_Bond_Acceptor_Count	5
89131	Structure_Complexity	320
79964	Hydrogen_Bond_Donor_Count	1
10153998	Defined_Bond_Stereo_Count	0
6328534	Isotope_Atom_Count	0
96891	Defined_Atom_Stereo_Count	0
136703	Isotope_Atom_Count	0
10975416	Hydrogen_Bond_Acceptor_Count	2
32069	Undefined_Bond_Stereo_Count	0
80782	Molecular_Weight	171.62
5464344	Structure_Complexity	590
5284583	Undefined_Bond_Stereo_Count	0
517441	Non-hydrogen_Atom_Count	11
452498	TPSA	143
262752	Structure_Complexity	267
83946	Rotatable_Bond_Count	7
69674285	Molecular_Weight	112.17
315394	Undefined_Bond_Stereo_Count	1
9128	XLogP3	6.4
5460797	Structure_Complexity	87.8
81006	Covalent_Unit_Count	1
33793	TPSA	40.5
6198	Mono_Isotopic_Weight	226.0872908
15139	Undefined_Atom_Stereo_Count	0
135643052	XLogP3-AA	1.1
257950	Mono_Isotopic_Weight	162.068079557
416	Tautomer_Count	2
398743	Molecular_Weight	249.82
175854	Hydrogen_Bond_Acceptor_Count	2
23934560	XLogP3-AA	2.6
66707439	Hydrogen_Bond_Acceptor_Count	6
441384	Defined_Atom_Stereo_Count	4
22811	Hydrogen_Bond_Acceptor_Count	2
56734	Exact_Mass	177.05719778
71209	Tautomer_Count	2
545698	Isotope_Atom_Count	0
20798615	Non-hydrogen_Atom_Count	7
15447	Defined_Atom_Stereo_Count	0
16638	Defined_Atom_Stereo_Count	0
2225	Defined_Bond_Stereo_Count	0
47510	Mono_Isotopic_Weight	220.13241115
119033	Rotatable_Bond_Count	4
54892	Isotope_Atom_Count	0
281888	Tautomer_Count	1
62379	Hydrogen_Bond_Donor_Count	0
8934	Mono_Isotopic_Weight	319.1658058
44366214	Exact_Mass	1034.55759593
484990	Structure_Complexity	377
40030	Defined_Atom_Stereo_Count	0
53153	XLogP3	0.3
9844747	Structure_Complexity	553
3657	Isotope_Atom_Count	0
23423585	Hydrogen_Bond_Acceptor_Count	3
10881	Mono_Isotopic_Weight	106.041864811
7654	Structure_Complexity	137
57298123	Undefined_Atom_Stereo_Count	0
91223	Isotope_Atom_Count	0
70399533	Total_Formal_Charge	0
92786	Defined_Atom_Stereo_Count	8
439286	Tautomer_Count	2
60195903	Hydrogen_Bond_Acceptor_Count	4
100380	Defined_Atom_Stereo_Count	0
10518	Defined_Bond_Stereo_Count	0
2734639	Structure_Complexity	133
143122	Hydrogen_Bond_Acceptor_Count	0
25171876	Molecular_Weight	364.4
73877	Structure_Complexity	155
11083833	Structure_Complexity	102
5994	Exact_Mass	314.224580195
45076013	Undefined_Bond_Stereo_Count	0
22053264	Isotope_Atom_Count	0
74570	Mono_Isotopic_Weight	162.9955546
9900	Defined_Bond_Stereo_Count	0
58173	Tautomer_Count	13
6956382	Hydrogen_Bond_Donor_Count	0
59066	Undefined_Bond_Stereo_Count	0
491728	Molecular_Weight	475.4
433294	Covalent_Unit_Count	2
596237	Covalent_Unit_Count	1
86811394	Mono_Isotopic_Weight	373.97117
5282468	Isotope_Atom_Count	0
9793705	Structure_Complexity	78.1
156434	Hydrogen_Bond_Donor_Count	2
166581	Defined_Atom_Stereo_Count	0
6451143	Non-hydrogen_Atom_Count	13
11705608	Defined_Atom_Stereo_Count	0
57396865	Exact_Mass	360.18492083
54106033	TPSA	26
9914412	Hydrogen_Bond_Acceptor_Count	8
142106	Molecular_Weight	98.10
1479778	Exact_Mass	317.0641130
75057	Exact_Mass	354.409975663
5195	Total_Formal_Charge	0
5463134	Covalent_Unit_Count	1
154247752	Molecular_Weight	104.15
24825271	XLogP3-AA	2.7
158800	Defined_Bond_Stereo_Count	0
17166	TPSA	17.1
68503813	Covalent_Unit_Count	1
13244862	Hydrogen_Bond_Acceptor_Count	0
2077	XLogP3-AA	2.1
54742254	Tautomer_Count	26
6603697	Covalent_Unit_Count	1
135512673	Covalent_Unit_Count	1
5284631	Total_Formal_Charge	0
99478	Hydrogen_Bond_Acceptor_Count	5
69892	Exact_Mass	189.115364102
911023	Mono_Isotopic_Weight	228.126263138
2733336	Molecular_Weight	48.02
135539077	Covalent_Unit_Count	1
216262	Hydrogen_Bond_Donor_Count	5
721	Covalent_Unit_Count	1
3097	Rotatable_Bond_Count	3
6917949	Non-hydrogen_Atom_Count	77
14026391	Non-hydrogen_Atom_Count	8
82607	Undefined_Bond_Stereo_Count	0
10833571	Non-hydrogen_Atom_Count	28
6021893	Undefined_Atom_Stereo_Count	0
67781	XLogP3	2
6361	Exact_Mass	78.0236279
72015	Tautomer_Count	4
27383	Exact_Mass	271.0975211
46861612	Non-hydrogen_Atom_Count	30
141276996	Total_Formal_Charge	0
134688930	Hydrogen_Bond_Donor_Count	1
893524	Undefined_Atom_Stereo_Count	0
403805	Non-hydrogen_Atom_Count	43
228506	Covalent_Unit_Count	1
671755	Hydrogen_Bond_Donor_Count	1
5364495	Undefined_Atom_Stereo_Count	0
2733244	Covalent_Unit_Count	1
9131	Undefined_Bond_Stereo_Count	0
5606	Isotope_Atom_Count	0
44412	Undefined_Atom_Stereo_Count	0
15139	Defined_Atom_Stereo_Count	0
31389	Rotatable_Bond_Count	0
16132954	Defined_Atom_Stereo_Count	0
107973	Mono_Isotopic_Weight	307.06095954
449223	Undefined_Atom_Stereo_Count	0
156428	Hydrogen_Bond_Donor_Count	4
29701	Covalent_Unit_Count	1
123911014	Molecular_Weight	90.12
123217479	Molecular_Weight	92.14
143683872	Covalent_Unit_Count	1
3400	Undefined_Atom_Stereo_Count	0
248898	XLogP3-AA	1.8
123271	Rotatable_Bond_Count	0
45484184	TPSA	99.8
177700	Covalent_Unit_Count	1
54132691	Undefined_Bond_Stereo_Count	0
71457270	Mono_Isotopic_Weight	553.2343490
4975	Isotope_Atom_Count	0
68841	Covalent_Unit_Count	1
57484	Defined_Bond_Stereo_Count	0
8070	Covalent_Unit_Count	1
2071	Undefined_Atom_Stereo_Count	1
13235330	Defined_Bond_Stereo_Count	0
91618345	Undefined_Bond_Stereo_Count	0
46202081	Defined_Bond_Stereo_Count	0
54133029	Defined_Atom_Stereo_Count	0
5281877	Hydrogen_Bond_Acceptor_Count	8
2130404	Covalent_Unit_Count	1
139626115	Non-hydrogen_Atom_Count	7
167724	Hydrogen_Bond_Donor_Count	1
132031748	Mono_Isotopic_Weight	113.047678466
69288	Defined_Atom_Stereo_Count	0
81767	Undefined_Bond_Stereo_Count	0
45073621	Undefined_Bond_Stereo_Count	0
58096	Tautomer_Count	2
4264	Undefined_Atom_Stereo_Count	8
53320444	Defined_Atom_Stereo_Count	0
254592	Total_Formal_Charge	0
135398596	Tautomer_Count	9
11544171	Non-hydrogen_Atom_Count	24
917192	Covalent_Unit_Count	1
66064	Total_Formal_Charge	0
21131011	Structure_Complexity	98.6
9962735	Rotatable_Bond_Count	31
192925	Rotatable_Bond_Count	1
10899	Hydrogen_Bond_Donor_Count	0
75994	Defined_Atom_Stereo_Count	0
12386899	Rotatable_Bond_Count	3
46866319	Rotatable_Bond_Count	6
9835049	Defined_Bond_Stereo_Count	0
11737	Total_Formal_Charge	0
3927	Isotope_Atom_Count	0
12200728	Undefined_Atom_Stereo_Count	0
140945	XLogP3-AA	1.8
4680	Isotope_Atom_Count	0
73744469	Exact_Mass	581.1663885
11454	Defined_Bond_Stereo_Count	0
10038849	Defined_Bond_Stereo_Count	0
44392161	Undefined_Atom_Stereo_Count	0
93189	Molecular_Weight	178.27
3467	Undefined_Atom_Stereo_Count	13
13334303	Covalent_Unit_Count	1
66756281	Hydrogen_Bond_Donor_Count	3
5353897	Defined_Bond_Stereo_Count	1
28531	Mono_Isotopic_Weight	331.08445790
14251035	Non-hydrogen_Atom_Count	8
76971015	Isotope_Atom_Count	0
21426352	Undefined_Atom_Stereo_Count	1
37036	Tautomer_Count	1
103656	Tautomer_Count	1
1130	Undefined_Atom_Stereo_Count	0
39223	Isotope_Atom_Count	0
53484514	Hydrogen_Bond_Acceptor_Count	3
5964	Hydrogen_Bond_Donor_Count	0
76008	Structure_Complexity	57.6
11668120	Hydrogen_Bond_Acceptor_Count	4
19095	Rotatable_Bond_Count	2
16221342	Isotope_Atom_Count	0
114811	Defined_Bond_Stereo_Count	0
154701841	Hydrogen_Bond_Acceptor_Count	1
10945	Defined_Atom_Stereo_Count	0
12364784	XLogP3-AA	0.7
99940264	Defined_Atom_Stereo_Count	10
411312	XLogP3-AA	2.8
25142172	Covalent_Unit_Count	1
40361	Rotatable_Bond_Count	5
1212	Structure_Complexity	292
5228468	Total_Formal_Charge	0
6140	Non-hydrogen_Atom_Count	12
4343	Total_Formal_Charge	0
180081	Undefined_Atom_Stereo_Count	0
25067547	Defined_Bond_Stereo_Count	0
16080117	Rotatable_Bond_Count	2
129009909	TPSA	231
41969	Total_Formal_Charge	0
591	Mono_Isotopic_Weight	893.20709926
16684171	Non-hydrogen_Atom_Count	5
23690927	Isotope_Atom_Count	0
15908	Hydrogen_Bond_Acceptor_Count	3
4630913	Defined_Bond_Stereo_Count	0
465069	Rotatable_Bond_Count	8
113342	XLogP3-AA	1
5376733	Mono_Isotopic_Weight	232.125200510
24829330	Hydrogen_Bond_Acceptor_Count	6
96886	Mono_Isotopic_Weight	181.06628286
50	Molecular_Weight	194.14
163866164	Defined_Atom_Stereo_Count	0
659218	Defined_Bond_Stereo_Count	0
637969	Hydrogen_Bond_Acceptor_Count	0
90722224	Mono_Isotopic_Weight	112.088815002
57406717	Defined_Atom_Stereo_Count	0
12599704	Undefined_Bond_Stereo_Count	0
129806	Mono_Isotopic_Weight	481.16828496
91163310	Hydrogen_Bond_Donor_Count	0
68186	Non-hydrogen_Atom_Count	28
41386	Hydrogen_Bond_Donor_Count	1
16051	Hydrogen_Bond_Donor_Count	0
20259182	Isotope_Atom_Count	0
17925	Structure_Complexity	413
91358778	Hydrogen_Bond_Acceptor_Count	0
464	Non-hydrogen_Atom_Count	13
10476254	TPSA	137
115157	Isotope_Atom_Count	0
54569113	Isotope_Atom_Count	0
45138674	Non-hydrogen_Atom_Count	41
12548640	Rotatable_Bond_Count	2
17904805	TPSA	40.5
68595	Exact_Mass	933.56610018
26721	Hydrogen_Bond_Acceptor_Count	5
154361546	Molecular_Weight	101.15
148676572	Rotatable_Bond_Count	0
3744660	Structure_Complexity	220
72943	Molecular_Weight	502.7
90473076	Hydrogen_Bond_Donor_Count	5
135966012	Total_Formal_Charge	0
5533	XLogP3-AA	2.8
25429	Tautomer_Count	3
7785	Covalent_Unit_Count	1
8992	Exact_Mass	328.97518251
83960	Molecular_Weight	499.2
15394	Molecular_Weight	84.12
10909564	Isotope_Atom_Count	0
3938007	Mono_Isotopic_Weight	257.17662169
40466954	Rotatable_Bond_Count	5
54105649	Defined_Bond_Stereo_Count	0
58595959	Defined_Bond_Stereo_Count	0
689784	Molecular_Weight	325.27
5283748	Undefined_Atom_Stereo_Count	0
12919209	XLogP3-AA	0.5
8176	TPSA	26.3
50905713	Total_Formal_Charge	0
72187569	Covalent_Unit_Count	1
57999543	Exact_Mass	100.100048391
9418	Covalent_Unit_Count	2
5484444	Defined_Bond_Stereo_Count	0
15979	Isotope_Atom_Count	0
5282192	Total_Formal_Charge	0
61583	XLogP3-AA	2.5
278	Covalent_Unit_Count	1
10307853	Total_Formal_Charge	0
15123308	Hydrogen_Bond_Donor_Count	1
143368400	TPSA	0
9859365	Undefined_Bond_Stereo_Count	0
17480032	Rotatable_Bond_Count	0
2447	TPSA	72.2
3047798	Covalent_Unit_Count	1
104741	Hydrogen_Bond_Acceptor_Count	9
44093	Non-hydrogen_Atom_Count	14
71530	Structure_Complexity	294
87474167	TPSA	35.8
550655	Covalent_Unit_Count	1
71309905	Covalent_Unit_Count	1
20056626	Mono_Isotopic_Weight	242.13002836
507806	Total_Formal_Charge	0
135398701	Undefined_Bond_Stereo_Count	0
74086836	Hydrogen_Bond_Acceptor_Count	4
14865900	XLogP3-AA	0.2
445715	Covalent_Unit_Count	1
9818287	Covalent_Unit_Count	1
11815841	Defined_Bond_Stereo_Count	0
5282768	Hydrogen_Bond_Acceptor_Count	2
13743	Molecular_Weight	271.27
2105	Undefined_Bond_Stereo_Count	0
3996620	Covalent_Unit_Count	1
102239071	Exact_Mass	75.001473
10986200	Isotope_Atom_Count	0
71517366	Hydrogen_Bond_Acceptor_Count	8
44338773	Defined_Bond_Stereo_Count	0
10772	Mono_Isotopic_Weight	165.042593085
15229227	Molecular_Weight	231.68
30373	Rotatable_Bond_Count	5
3652	Mono_Isotopic_Weight	335.1764402
24503	Undefined_Atom_Stereo_Count	0
9255	Exact_Mass	69.021463719
5497105	Exact_Mass	447.17015238
23666711	TPSA	242
12750169	Undefined_Atom_Stereo_Count	0
51464	Hydrogen_Bond_Donor_Count	0
1068	XLogP3-AA	0.9
43095	Defined_Bond_Stereo_Count	0
9936727	Exact_Mass	527.27304650
8791	Non-hydrogen_Atom_Count	21
68156	Mono_Isotopic_Weight	70.053098200
57048209	TPSA	20.2
6450816	Exact_Mass	612.2173192
59383280	Undefined_Bond_Stereo_Count	0
21896450	Total_Formal_Charge	0
9849616	Hydrogen_Bond_Acceptor_Count	3
18445434	Structure_Complexity	47
10221470	Non-hydrogen_Atom_Count	20
130124661	Structure_Complexity	79.3
1725	TPSA	75.9
76216	Rotatable_Bond_Count	3
90459541	Exact_Mass	109.052763847
39752	Tautomer_Count	2
3209	Isotope_Atom_Count	0
23954	Isotope_Atom_Count	0
54401118	Mono_Isotopic_Weight	82.053098200
133109198	Covalent_Unit_Count	1
45073437	Exact_Mass	310.936458
90781811	Total_Formal_Charge	0
67247971	Total_Formal_Charge	0
98633	Hydrogen_Bond_Acceptor_Count	2
68663	Rotatable_Bond_Count	5
41556	Rotatable_Bond_Count	2
18717626	Hydrogen_Bond_Donor_Count	1
13215601	Molecular_Weight	88.11
56638112	XLogP3-AA	2.9
66296	Defined_Bond_Stereo_Count	0
11721	Covalent_Unit_Count	1
57680	Defined_Atom_Stereo_Count	0
44336199	Defined_Atom_Stereo_Count	0
1647	Defined_Bond_Stereo_Count	0
4369034	TPSA	221
65513	Total_Formal_Charge	0
12905096	Rotatable_Bond_Count	1
74219	Hydrogen_Bond_Donor_Count	1
357	Hydrogen_Bond_Acceptor_Count	0
71484	Rotatable_Bond_Count	6
166744	Rotatable_Bond_Count	11
6433197	Molecular_Weight	518.5
56603751	Defined_Atom_Stereo_Count	0
3694570	XLogP3-AA	3.9
13037934	Rotatable_Bond_Count	15
134836185	TPSA	35.2
151092	Covalent_Unit_Count	1
82741	Mono_Isotopic_Weight	133.110278721
10887743	Rotatable_Bond_Count	26
22491623	Molecular_Weight	95.10
321054	Defined_Bond_Stereo_Count	0
8317	Total_Formal_Charge	0
214804	Undefined_Atom_Stereo_Count	2
7694	Exact_Mass	149.120449483
166064699	Defined_Atom_Stereo_Count	0
92108	Rotatable_Bond_Count	0
6114	Covalent_Unit_Count	2
102213	Rotatable_Bond_Count	3
96132	Structure_Complexity	124
72924	Mono_Isotopic_Weight	139.026943022
2724103	Molecular_Weight	155.15
62278	Defined_Bond_Stereo_Count	0
34457	Defined_Atom_Stereo_Count	7
12228201	XLogP3-AA	0.2
10043211	Total_Formal_Charge	0
12581088	Molecular_Weight	110.16
72139	Isotope_Atom_Count	0
54353190	Undefined_Bond_Stereo_Count	0
10219384	Molecular_Weight	96.979
25227462	Structure_Complexity	747
1688	Mono_Isotopic_Weight	318.0326684
12581088	Exact_Mass	110.084398327
53426727	Covalent_Unit_Count	1
68310	Isotope_Atom_Count	0
25271884	XLogP3-AA	2.2
78950	Undefined_Bond_Stereo_Count	0
135445058	Tautomer_Count	13
440046	Mono_Isotopic_Weight	113.047678466
11051586	Rotatable_Bond_Count	2
11503417	Mono_Isotopic_Weight	454.33077660
134129158	Exact_Mass	336.97721
11315474	Defined_Bond_Stereo_Count	0
32526	Total_Formal_Charge	0
19779961	Undefined_Bond_Stereo_Count	0
5754	Total_Formal_Charge	0
18597	Exact_Mass	150.104465066
71872	Rotatable_Bond_Count	3
16689337	Undefined_Bond_Stereo_Count	0
270299	Mono_Isotopic_Weight	116.083729621
5283134	Exact_Mass	625.30330126
18755011	Rotatable_Bond_Count	0
12724530	Defined_Atom_Stereo_Count	0
47198	Tautomer_Count	3
16129616	Hydrogen_Bond_Acceptor_Count	55
92649	XLogP3-AA	2.5
516806	Covalent_Unit_Count	6
17833	Tautomer_Count	1
7486	Defined_Bond_Stereo_Count	0
44427236	Non-hydrogen_Atom_Count	29
46936582	Total_Formal_Charge	0
13217239	Defined_Atom_Stereo_Count	0
70255	Defined_Bond_Stereo_Count	0
50938	Mono_Isotopic_Weight	257.177964357
1950	Non-hydrogen_Atom_Count	16
11254	Hydrogen_Bond_Donor_Count	0
59755734	XLogP3-AA	0.5
12074440	Hydrogen_Bond_Acceptor_Count	2
129514	Molecular_Weight	431.32
102161032	Defined_Bond_Stereo_Count	0
88489334	Non-hydrogen_Atom_Count	8
10665	Undefined_Bond_Stereo_Count	0
6359	TPSA	0
358299	Rotatable_Bond_Count	2
88524529	Undefined_Bond_Stereo_Count	0
129831062	Covalent_Unit_Count	1
57829	Hydrogen_Bond_Acceptor_Count	1
33135	Defined_Atom_Stereo_Count	0
129629387	Covalent_Unit_Count	1
91482	Isotope_Atom_Count	0
92374	Mono_Isotopic_Weight	236.04669266
22977906	Defined_Atom_Stereo_Count	0
7967	Rotatable_Bond_Count	0
5355863	Rotatable_Bond_Count	6
107144	Defined_Atom_Stereo_Count	0
21608699	Molecular_Weight	290.4
1794427	Structure_Complexity	534
62428	Rotatable_Bond_Count	4
7756	Molecular_Weight	115.17
21219660	Structure_Complexity	52.1
4964	Isotope_Atom_Count	0
25141092	Structure_Complexity	847
14806	Tautomer_Count	3
59531373	Defined_Bond_Stereo_Count	0
176170	Exact_Mass	249.00006
45085022	Hydrogen_Bond_Acceptor_Count	2
16719	Non-hydrogen_Atom_Count	12
5002	Hydrogen_Bond_Acceptor_Count	5
8506	Structure_Complexity	652
129893562	Mono_Isotopic_Weight	1347.582715
19049960	Undefined_Bond_Stereo_Count	0
38089	Undefined_Bond_Stereo_Count	0
158782	Undefined_Atom_Stereo_Count	0
6433083	Tautomer_Count	4
3230	Mono_Isotopic_Weight	470.33960994
11966095	Non-hydrogen_Atom_Count	85
71277	Molecular_Weight	790.0
63409	Covalent_Unit_Count	1
320263	TPSA	58
31117	Defined_Bond_Stereo_Count	0
79224	Molecular_Weight	216.03
11632113	Rotatable_Bond_Count	7
8641	Undefined_Atom_Stereo_Count	0
11060054	Rotatable_Bond_Count	20
52919826	Defined_Bond_Stereo_Count	0
24879665	Undefined_Bond_Stereo_Count	0
11962267	Non-hydrogen_Atom_Count	7
28767	Mono_Isotopic_Weight	307.029747
9812645	Tautomer_Count	1001
81846	Structure_Complexity	464
118210244	Undefined_Bond_Stereo_Count	0
99894	Hydrogen_Bond_Donor_Count	1
101656013	XLogP3-AA	4.5
129661122	Hydrogen_Bond_Donor_Count	3
115	Mono_Isotopic_Weight	229.03513872
25142309	XLogP3-AA	2.5
23622962	Exact_Mass	874.54474508
74066	Total_Formal_Charge	0
44214615	Mono_Isotopic_Weight	229.0173527
65854	Molecular_Weight	228.74
16005262	Isotope_Atom_Count	0
71358911	Non-hydrogen_Atom_Count	8
57097	Exact_Mass	940.42049858
67239709	Defined_Bond_Stereo_Count	0
5329105	Structure_Complexity	609
10887837	Undefined_Atom_Stereo_Count	0
44560807	TPSA	139
165339	Defined_Bond_Stereo_Count	0
28425	Covalent_Unit_Count	1
21542775	Hydrogen_Bond_Acceptor_Count	2
91465	Non-hydrogen_Atom_Count	28
12746990	Molecular_Weight	113.12
13302066	Rotatable_Bond_Count	3
3388710	Defined_Bond_Stereo_Count	0
12962871	Undefined_Atom_Stereo_Count	1
20217132	Molecular_Weight	85.15
548945	Hydrogen_Bond_Donor_Count	0
49296	Hydrogen_Bond_Donor_Count	2
141343693	Mono_Isotopic_Weight	113.084063974
23276	Tautomer_Count	1
3683	Hydrogen_Bond_Donor_Count	1
44571221	Structure_Complexity	570
456389	Defined_Bond_Stereo_Count	0
58513815	Structure_Complexity	70.1
26132	Total_Formal_Charge	0
245005	Defined_Atom_Stereo_Count	14
130125724	Defined_Bond_Stereo_Count	0
135465079	Covalent_Unit_Count	1
69342090	Hydrogen_Bond_Acceptor_Count	2
12088	Covalent_Unit_Count	1
52945780	Hydrogen_Bond_Donor_Count	3
1584822	Molecular_Weight	319.4
1753	Undefined_Atom_Stereo_Count	6
74615	Molecular_Weight	100.12
35399	Total_Formal_Charge	0
12187	Defined_Bond_Stereo_Count	0
21914607	Undefined_Bond_Stereo_Count	0
39272	Tautomer_Count	1
71076901	Defined_Bond_Stereo_Count	0
1951	Undefined_Bond_Stereo_Count	0
44339135	Hydrogen_Bond_Donor_Count	4
2752638	Hydrogen_Bond_Donor_Count	2
36272	Hydrogen_Bond_Donor_Count	0
3246605	Structure_Complexity	398
16562	Structure_Complexity	253
99404	Hydrogen_Bond_Acceptor_Count	1
21465770	TPSA	37.3
9576811	Tautomer_Count	8
2633	Molecular_Weight	561.6
137090	XLogP3-AA	1.6
34173590	Hydrogen_Bond_Acceptor_Count	11
9554198	Tautomer_Count	2
11839	Tautomer_Count	1
7409	Isotope_Atom_Count	0
17351	Hydrogen_Bond_Acceptor_Count	2
129317	TPSA	77.8
44629543	Structure_Complexity	1090
14092185	Total_Formal_Charge	0
414420	TPSA	26.3
44414758	XLogP3-AA	4.8
3520	Molecular_Weight	59.07
34756	Defined_Bond_Stereo_Count	0
70691434	TPSA	52.6
119096639	Non-hydrogen_Atom_Count	8
520217	Hydrogen_Bond_Acceptor_Count	5
21875354	Covalent_Unit_Count	1
46931005	Total_Formal_Charge	0
25246317	Undefined_Atom_Stereo_Count	4
4021	Mono_Isotopic_Weight	174.079312947
940892	Covalent_Unit_Count	1
7047	Hydrogen_Bond_Donor_Count	0
91493	Rotatable_Bond_Count	7
16130571	Tautomer_Count	1001
60196348	Structure_Complexity	1010
62883	Hydrogen_Bond_Acceptor_Count	10
3034023	XLogP3-AA	3.4
6433417	XLogP3-AA	1
66882078	Hydrogen_Bond_Donor_Count	1
13163928	Exact_Mass	112.052429494
12200	Molecular_Weight	182.09
67638	Undefined_Atom_Stereo_Count	0
53907192	Hydrogen_Bond_Acceptor_Count	3
54519	Non-hydrogen_Atom_Count	23
171527	Exact_Mass	347.1652068
7270	XLogP3	4.6
521300	Non-hydrogen_Atom_Count	6
7110	Isotope_Atom_Count	0
97869	Defined_Bond_Stereo_Count	0
53763274	XLogP3-AA	2.4
13356643	Total_Formal_Charge	0
3257	Undefined_Bond_Stereo_Count	0
435360	Hydrogen_Bond_Acceptor_Count	7
59295968	Covalent_Unit_Count	1
57396473	Undefined_Atom_Stereo_Count	0
13351946	Mono_Isotopic_Weight	125.058911855
13058233	Isotope_Atom_Count	0
24767757	Undefined_Atom_Stereo_Count	0
3081387	Undefined_Bond_Stereo_Count	0
66679	Defined_Atom_Stereo_Count	0
5462814	Covalent_Unit_Count	1
28540	Hydrogen_Bond_Acceptor_Count	2
9908306	Non-hydrogen_Atom_Count	27
10138259	Total_Formal_Charge	0
78012803	Isotope_Atom_Count	0
28582	Exact_Mass	309.12210670
71560031	Undefined_Atom_Stereo_Count	0
129209	Tautomer_Count	1
4579	Exact_Mass	428.32904526
53708930	Covalent_Unit_Count	1
356	Structure_Complexity	25
6453	Covalent_Unit_Count	1
51299	Structure_Complexity	151
5367785	Hydrogen_Bond_Donor_Count	0
3033821	Exact_Mass	335.13822480
75082	Defined_Bond_Stereo_Count	0
86350	Undefined_Bond_Stereo_Count	0
208901	Non-hydrogen_Atom_Count	28
21867906	Rotatable_Bond_Count	3
123642549	Undefined_Atom_Stereo_Count	0
6433117	Exact_Mass	392.20999276
11188898	Molecular_Weight	404.5
5316860	Tautomer_Count	1
18923110	Undefined_Bond_Stereo_Count	0
71403949	Undefined_Atom_Stereo_Count	0
65834	Undefined_Atom_Stereo_Count	0
3365553	Molecular_Weight	87.12
400916	TPSA	29.8
4283516	Tautomer_Count	1
27914	Undefined_Bond_Stereo_Count	0
10343454	Hydrogen_Bond_Donor_Count	1
85296	Molecular_Weight	147.24
5335	Defined_Atom_Stereo_Count	0
118578546	Defined_Atom_Stereo_Count	0
97337	Total_Formal_Charge	0
19027815	Hydrogen_Bond_Acceptor_Count	0
25127	Exact_Mass	193.110278721
404566	Molecular_Weight	315.5
9537	Hydrogen_Bond_Acceptor_Count	2
30751	Undefined_Bond_Stereo_Count	0
8181	Defined_Atom_Stereo_Count	0
71070	Hydrogen_Bond_Acceptor_Count	4
56673014	Hydrogen_Bond_Donor_Count	1
58024825	Undefined_Atom_Stereo_Count	0
24153	Defined_Atom_Stereo_Count	0
34458	Defined_Bond_Stereo_Count	0
10672195	Exact_Mass	474.28038099
25670	Structure_Complexity	206
11957707	Non-hydrogen_Atom_Count	23
12888	Isotope_Atom_Count	0
17849680	Isotope_Atom_Count	0
119097281	Covalent_Unit_Count	1
709156	Mono_Isotopic_Weight	346.11398438
8442	Undefined_Bond_Stereo_Count	0
443979	Isotope_Atom_Count	0
146678829	TPSA	0
70689830	TPSA	121
84647714	Defined_Atom_Stereo_Count	0
6425	Defined_Atom_Stereo_Count	0
5460998	Undefined_Atom_Stereo_Count	0
10141	Hydrogen_Bond_Donor_Count	2
441139	Undefined_Atom_Stereo_Count	1
89805	Undefined_Atom_Stereo_Count	0
21497	Exact_Mass	157.04221642
10126019	XLogP3-AA	2.4
534324	Defined_Atom_Stereo_Count	0
130124330	Isotope_Atom_Count	0
7644	Total_Formal_Charge	0
67376285	Rotatable_Bond_Count	5
1463	Isotope_Atom_Count	0
53835225	Non-hydrogen_Atom_Count	7
21954	Structure_Complexity	143
59059060	Mono_Isotopic_Weight	112.04367633
119361	Molecular_Weight	312.2
15686	TPSA	43.4
44323204	Structure_Complexity	1520
153	Exact_Mass	295.05693679
31307	XLogP3	1.2
23663992	Tautomer_Count	4
24825262	Hydrogen_Bond_Donor_Count	1
16058752	Defined_Bond_Stereo_Count	0
12555	Isotope_Atom_Count	0
5281884	TPSA	276
60573	Exact_Mass	363.11978
5072	Defined_Atom_Stereo_Count	0
108166	Structure_Complexity	913
25008765	XLogP3-AA	0.2
22906680	Isotope_Atom_Count	0
71208	Non-hydrogen_Atom_Count	12
6683	Undefined_Bond_Stereo_Count	0
54367722	Hydrogen_Bond_Acceptor_Count	2
3567233	Isotope_Atom_Count	0
3636092	Structure_Complexity	205
3081185	Molecular_Weight	283.34
3315	Mono_Isotopic_Weight	872.05463428
5582	Non-hydrogen_Atom_Count	27
747	Structure_Complexity	574
10461263	Defined_Atom_Stereo_Count	0
86183	Total_Formal_Charge	0
10107393	Covalent_Unit_Count	1
5804	Covalent_Unit_Count	1
93768	Defined_Bond_Stereo_Count	0
63045	Hydrogen_Bond_Acceptor_Count	7
6656	Molecular_Weight	100.12
135455401	Isotope_Atom_Count	0
36982	Structure_Complexity	173
16134408	Non-hydrogen_Atom_Count	140
33929	Defined_Atom_Stereo_Count	0
40841	Covalent_Unit_Count	1
9064	Rotatable_Bond_Count	1
6419888	Hydrogen_Bond_Donor_Count	2
44521022	TPSA	72.4
37366	Undefined_Atom_Stereo_Count	0
71814	Isotope_Atom_Count	0
734	Defined_Bond_Stereo_Count	0
9784	Hydrogen_Bond_Donor_Count	2
46724	Rotatable_Bond_Count	4
51375034	Defined_Bond_Stereo_Count	0
40704	Isotope_Atom_Count	0
86922	Defined_Bond_Stereo_Count	0
21185116	Non-hydrogen_Atom_Count	7
53346491	Hydrogen_Bond_Acceptor_Count	4
736172	Rotatable_Bond_Count	3
16122643	Exact_Mass	333.0628670
7529	Isotope_Atom_Count	0
371715	Hydrogen_Bond_Donor_Count	1
5487713	Defined_Atom_Stereo_Count	0
675533	TPSA	77.2
46835725	Tautomer_Count	1
821598	Hydrogen_Bond_Donor_Count	1
5362527	Non-hydrogen_Atom_Count	14
88983	Defined_Bond_Stereo_Count	0
77232	Defined_Atom_Stereo_Count	0
24352	Total_Formal_Charge	0
71814	Hydrogen_Bond_Donor_Count	0
6102820	Undefined_Atom_Stereo_Count	0
46916401	Defined_Bond_Stereo_Count	0
53232451	Molecular_Weight	355.3
57091294	Hydrogen_Bond_Acceptor_Count	3
5284549	Mono_Isotopic_Weight	324.02722052
5352435	Total_Formal_Charge	0
6604492	Molecular_Weight	525.6
35781	Defined_Atom_Stereo_Count	0
20674252	Defined_Atom_Stereo_Count	0
222549	Defined_Atom_Stereo_Count	4
17497	Defined_Atom_Stereo_Count	0
89356917	Defined_Bond_Stereo_Count	5
75534860	Isotope_Atom_Count	0
22530	Structure_Complexity	350
53766125	Hydrogen_Bond_Donor_Count	2
23263244	TPSA	18.5
2063927	Rotatable_Bond_Count	1
14739174	Non-hydrogen_Atom_Count	8
12031	Defined_Atom_Stereo_Count	0
5826	Rotatable_Bond_Count	2
9600409	Isotope_Atom_Count	0
162247	Undefined_Atom_Stereo_Count	0
87485	Isotope_Atom_Count	0
23916	Non-hydrogen_Atom_Count	10
6914821	Isotope_Atom_Count	0
316975	Molecular_Weight	209.22
57751150	Hydrogen_Bond_Acceptor_Count	3
11159021	Molecular_Weight	383.6
15575641	Structure_Complexity	138
23666409	TPSA	204
397614	Total_Formal_Charge	0
817383	Defined_Bond_Stereo_Count	0
53967	Hydrogen_Bond_Acceptor_Count	3
10390369	Non-hydrogen_Atom_Count	35
2758223	Rotatable_Bond_Count	0
129642209	Covalent_Unit_Count	2
94280	Defined_Bond_Stereo_Count	0
24180824	Hydrogen_Bond_Acceptor_Count	3
71752170	Defined_Bond_Stereo_Count	0
87365092	Molecular_Weight	152.19
129849349	Molecular_Weight	205.28
46193078	Non-hydrogen_Atom_Count	20
135673987	Undefined_Atom_Stereo_Count	0
45972	XLogP3-AA	4
9885626	Covalent_Unit_Count	1
9862	Hydrogen_Bond_Acceptor_Count	1
54443170	Mono_Isotopic_Weight	98.073164938
4421	Mono_Isotopic_Weight	232.08479225
91750	Mono_Isotopic_Weight	414.09576811
71777705	Covalent_Unit_Count	1
91589206	Undefined_Atom_Stereo_Count	1
145945090	TPSA	467
137117239	Molecular_Weight	835.0
69079	TPSA	17.1
22212137	Total_Formal_Charge	0
9862634	Total_Formal_Charge	0
694041	Hydrogen_Bond_Donor_Count	2
119716	Exact_Mass	143.167399674
13220626	Undefined_Bond_Stereo_Count	0
961	Undefined_Atom_Stereo_Count	0
2691	Undefined_Bond_Stereo_Count	0
22392829	Undefined_Bond_Stereo_Count	0
444000	Hydrogen_Bond_Donor_Count	0
129785733	Structure_Complexity	96.3
12201511	Non-hydrogen_Atom_Count	8
62963	Structure_Complexity	1340
65302	Structure_Complexity	1110
17764882	Undefined_Bond_Stereo_Count	0
91	Non-hydrogen_Atom_Count	12
65814	Covalent_Unit_Count	1
95571	Isotope_Atom_Count	0
14306122	Hydrogen_Bond_Donor_Count	0
71356656	Hydrogen_Bond_Acceptor_Count	1
10039774	XLogP3	3
208902	Undefined_Atom_Stereo_Count	0
524894	Defined_Bond_Stereo_Count	0
51402807	Exact_Mass	464.09547607
9871420	Molecular_Weight	522.6
56643412	Undefined_Atom_Stereo_Count	0
14911569	Molecular_Weight	100.12
449171	XLogP3	6.3
44338785	Hydrogen_Bond_Donor_Count	4
25127299	TPSA	67.9
39648	Defined_Atom_Stereo_Count	0
57459433	Undefined_Bond_Stereo_Count	0
6432906	Non-hydrogen_Atom_Count	10
97656	Non-hydrogen_Atom_Count	30
55284853	Undefined_Bond_Stereo_Count	0
1359	Non-hydrogen_Atom_Count	15
481	Covalent_Unit_Count	1
11386747	TPSA	79.4
21201338	Structure_Complexity	206
3068367	Structure_Complexity	756
44564	Molecular_Weight	311.63
71651624	Exact_Mass	97.052763847
821	Defined_Atom_Stereo_Count	0
44472831	Structure_Complexity	382
14781907	Mono_Isotopic_Weight	101.084063974
131407356	TPSA	51.8
86014	Hydrogen_Bond_Acceptor_Count	0
22234	Undefined_Atom_Stereo_Count	1
123645524	Non-hydrogen_Atom_Count	85
237413	Defined_Atom_Stereo_Count	2
2795115	Total_Formal_Charge	0
133568445	Isotope_Atom_Count	0
18542136	Structure_Complexity	488
53784322	Defined_Atom_Stereo_Count	0
28264	Isotope_Atom_Count	0
36119	Molecular_Weight	447.5
21884	Mono_Isotopic_Weight	147.068413911
183811	Non-hydrogen_Atom_Count	32
20739	XLogP3	2.6
19186	Covalent_Unit_Count	1
12285877	Non-hydrogen_Atom_Count	12
97012113	Undefined_Atom_Stereo_Count	0
54393203	Undefined_Atom_Stereo_Count	0
129009603	Undefined_Bond_Stereo_Count	0
71625880	Covalent_Unit_Count	1
67938294	XLogP3-AA	0.3
472946	Isotope_Atom_Count	0
249006	Hydrogen_Bond_Donor_Count	2
9727	Mono_Isotopic_Weight	151.099714038
1163242	Non-hydrogen_Atom_Count	26
42626880	Structure_Complexity	1230
55105	Molecular_Weight	306.0
197059	Mono_Isotopic_Weight	346.1811912
12676503	Rotatable_Bond_Count	1
4557	TPSA	40.5
78072498	Exact_Mass	331.168462302
537037	Non-hydrogen_Atom_Count	39
260127	Isotope_Atom_Count	0
3048	Covalent_Unit_Count	1
37933	Non-hydrogen_Atom_Count	28
44560807	Defined_Bond_Stereo_Count	0
11518241	Isotope_Atom_Count	0
15566577	Total_Formal_Charge	0
53881088	Non-hydrogen_Atom_Count	8
423375	Molecular_Weight	171.27
19940	Total_Formal_Charge	0
129320410	Rotatable_Bond_Count	8
5094	Undefined_Bond_Stereo_Count	0
20056828	Rotatable_Bond_Count	6
21872570	Non-hydrogen_Atom_Count	8
58689886	Total_Formal_Charge	0
57784275	Molecular_Weight	96.09
67542	Isotope_Atom_Count	0
66588767	Defined_Atom_Stereo_Count	0
5311504	Undefined_Atom_Stereo_Count	0
54493	Tautomer_Count	2
180504	Non-hydrogen_Atom_Count	27
64666823	Exact_Mass	100.088815002
16133899	Hydrogen_Bond_Acceptor_Count	152
36159	Covalent_Unit_Count	1
14140995	Hydrogen_Bond_Donor_Count	0
8570	Defined_Bond_Stereo_Count	0
15786916	Mono_Isotopic_Weight	60.012887157
2793757	Defined_Atom_Stereo_Count	0
440266	Mono_Isotopic_Weight	153.078978594
18195	TPSA	88
16115	Tautomer_Count	2
27145	Undefined_Atom_Stereo_Count	0
23727982	Mono_Isotopic_Weight	269.12766012
3452	Tautomer_Count	1
105000	Rotatable_Bond_Count	2
6918123	Mono_Isotopic_Weight	331.03264982
7681	Defined_Bond_Stereo_Count	0
22129001	Covalent_Unit_Count	1
11150163	Mono_Isotopic_Weight	279.14705815
81455	Hydrogen_Bond_Donor_Count	0
11799	Defined_Bond_Stereo_Count	0
67379186	Covalent_Unit_Count	1
59594973	XLogP3-AA	0.2
181978	Undefined_Bond_Stereo_Count	0
9958	Defined_Bond_Stereo_Count	0
9804991	Exact_Mass	475.1873988
44311916	Mono_Isotopic_Weight	1018.44048069
20392	Covalent_Unit_Count	1
3827	Molecular_Weight	309.4
833992	Tautomer_Count	3
3417	Mono_Isotopic_Weight	138.00819570
3008895	Hydrogen_Bond_Acceptor_Count	20
23274077	Undefined_Bond_Stereo_Count	0
77232	Undefined_Atom_Stereo_Count	0
6024	Covalent_Unit_Count	1
6440459	Mono_Isotopic_Weight	794.36980042
22349965	Mono_Isotopic_Weight	100.027277375
75427	Rotatable_Bond_Count	5
12198109	Undefined_Bond_Stereo_Count	0
18755331	Rotatable_Bond_Count	1
16114800	Hydrogen_Bond_Donor_Count	4
5335	Exact_Mass	314.08374688
15900	Covalent_Unit_Count	1
61059	Covalent_Unit_Count	1
136231689	Total_Formal_Charge	0
9817917	TPSA	135
71661882	Hydrogen_Bond_Donor_Count	1
2341	Undefined_Atom_Stereo_Count	1
6918222	Undefined_Atom_Stereo_Count	0
7011	Hydrogen_Bond_Donor_Count	1
134613	TPSA	92.4
440707	Exact_Mass	346.21440943
102102855	Mono_Isotopic_Weight	152.05589216
49057	Defined_Atom_Stereo_Count	0
3034393	Hydrogen_Bond_Donor_Count	2
7198	TPSA	52.6
6407	XLogP3-AA	1.6
136648	Molecular_Weight	80.13
57390797	Mono_Isotopic_Weight	428.31512653
12201322	Hydrogen_Bond_Donor_Count	3
84598	Rotatable_Bond_Count	0
7779	Undefined_Atom_Stereo_Count	0
40302	Rotatable_Bond_Count	1
86412	Undefined_Bond_Stereo_Count	0
17321	Structure_Complexity	220
49757967	Structure_Complexity	67.4
72157	Non-hydrogen_Atom_Count	18
101602	Isotope_Atom_Count	0
11441554	Molecular_Weight	420.5
16227342	Structure_Complexity	116
166718	TPSA	27.3
129627691	Undefined_Bond_Stereo_Count	0
314195	Exact_Mass	110.073164938
1272	Defined_Bond_Stereo_Count	0
52947109	Mono_Isotopic_Weight	419.14567599
73271	TPSA	95.5
7792	Mono_Isotopic_Weight	158.167065321
45791267	Rotatable_Bond_Count	2
12444348	Undefined_Bond_Stereo_Count	0
16687076	Undefined_Bond_Stereo_Count	0
6331075	Structure_Complexity	508
11702	Undefined_Bond_Stereo_Count	0
59392023	Hydrogen_Bond_Donor_Count	2
4743	Molecular_Weight	685.9
12910381	Covalent_Unit_Count	1
8809	Undefined_Bond_Stereo_Count	0
520277	TPSA	9.2
24846132	Isotope_Atom_Count	0
3035440	Mono_Isotopic_Weight	308.16574516
9877357	Structure_Complexity	89.8
165157	Hydrogen_Bond_Donor_Count	16
11008865	Molecular_Weight	196.29
4993	Hydrogen_Bond_Donor_Count	2
14647	Hydrogen_Bond_Acceptor_Count	1
44570889	Undefined_Atom_Stereo_Count	0
11369	Defined_Atom_Stereo_Count	0
16599	Non-hydrogen_Atom_Count	33
14184222	TPSA	32.8
81217	Hydrogen_Bond_Donor_Count	4
12167	Tautomer_Count	1
5271569	Covalent_Unit_Count	1
7048	Hydrogen_Bond_Donor_Count	0
5112745	Non-hydrogen_Atom_Count	17
6451155	Non-hydrogen_Atom_Count	22
68193	Rotatable_Bond_Count	1
452521	Covalent_Unit_Count	1
12668	Rotatable_Bond_Count	0
58714	Structure_Complexity	187
54786	Non-hydrogen_Atom_Count	28
1951	Defined_Atom_Stereo_Count	0
8108	Hydrogen_Bond_Acceptor_Count	1
88981819	Total_Formal_Charge	0
7767	Total_Formal_Charge	0
68321730	Hydrogen_Bond_Acceptor_Count	4
67259771	Rotatable_Bond_Count	9
56619338	TPSA	117
129146	Structure_Complexity	205
18414852	Undefined_Atom_Stereo_Count	0
919792	Isotope_Atom_Count	0
66879	Rotatable_Bond_Count	3
3055171	Total_Formal_Charge	0
28003	Undefined_Bond_Stereo_Count	0
23597592	TPSA	29.5
58883	Hydrogen_Bond_Acceptor_Count	4
1549065	Hydrogen_Bond_Donor_Count	1
20056625	Mono_Isotopic_Weight	427.998507
101626738	TPSA	146
47364	Undefined_Bond_Stereo_Count	0
441397	Exact_Mass	465.15697138
12298391	Structure_Complexity	122
11443	Exact_Mass	174.042927438
46225190	Exact_Mass	277.215412493
2226	Mono_Isotopic_Weight	552.31189162
101181995	XLogP3-AA	6.2
4901	TPSA	40.5
67532	Tautomer_Count	2
172307	Hydrogen_Bond_Donor_Count	1
146159466	Molecular_Weight	398.7
2826036	Molecular_Weight	236.25
56665391	Defined_Atom_Stereo_Count	0
119259	Hydrogen_Bond_Donor_Count	3
123963	Defined_Atom_Stereo_Count	0
85421	Mono_Isotopic_Weight	505.208512955
123678021	Exact_Mass	108.093900383
17948845	Isotope_Atom_Count	0
10574415	Isotope_Atom_Count	0
163050675	Rotatable_Bond_Count	0
71530	Molecular_Weight	333.24
103	Undefined_Bond_Stereo_Count	0
9846339	Undefined_Atom_Stereo_Count	0
57399796	Defined_Atom_Stereo_Count	0
11544170	Defined_Atom_Stereo_Count	0
18596	Hydrogen_Bond_Donor_Count	0
16003	TPSA	45.6
135425186	Structure_Complexity	493
139061453	Isotope_Atom_Count	0
10777574	Exact_Mass	258.05581460
14045186	Hydrogen_Bond_Acceptor_Count	2
66296	Tautomer_Count	6
20974	Non-hydrogen_Atom_Count	14
9804743	XLogP3-AA	3
673832	Defined_Atom_Stereo_Count	0
23730921	Mono_Isotopic_Weight	203.105862047
91612585	Non-hydrogen_Atom_Count	8
5362420	Defined_Bond_Stereo_Count	0
14671573	Structure_Complexity	70.8
11779772	Covalent_Unit_Count	2
20039106	Non-hydrogen_Atom_Count	7
168707	Structure_Complexity	489
8761	Covalent_Unit_Count	1
14512532	Hydrogen_Bond_Donor_Count	1
123895	Defined_Bond_Stereo_Count	0
137530132	Exact_Mass	531.17327
20239	Structure_Complexity	103
65898	Total_Formal_Charge	0
43986	Hydrogen_Bond_Donor_Count	0
5311311	Hydrogen_Bond_Donor_Count	16
1140	Undefined_Atom_Stereo_Count	0
712441	Rotatable_Bond_Count	1
443040	Defined_Bond_Stereo_Count	0
21648	XLogP3-AA	1.5
84590	Exact_Mass	98.048012819
11510932	Molecular_Weight	461.4
14298876	Molecular_Weight	86.14
22720	Non-hydrogen_Atom_Count	7
117736498	Mono_Isotopic_Weight	106.041864811
130802	Hydrogen_Bond_Donor_Count	1
75444	Exact_Mass	513.2910760
5359563	Rotatable_Bond_Count	3
181138	Defined_Atom_Stereo_Count	0
114946	Isotope_Atom_Count	0
59221	Hydrogen_Bond_Acceptor_Count	1
27668	Hydrogen_Bond_Donor_Count	0
18316	Molecular_Weight	254.41
56842208	Isotope_Atom_Count	0
11208	Mono_Isotopic_Weight	72.057514874
159470	Molecular_Weight	221.30
116842112	Undefined_Atom_Stereo_Count	2
12353957	Undefined_Atom_Stereo_Count	2
8565	Undefined_Bond_Stereo_Count	0
6971070	Exact_Mass	179.03443370
67486	Structure_Complexity	193
54041	Undefined_Atom_Stereo_Count	0
9902908	TPSA	139
7196	TPSA	55.8
98070685	Total_Formal_Charge	1
33344	Total_Formal_Charge	0
44417326	Undefined_Atom_Stereo_Count	2
57340110	Defined_Atom_Stereo_Count	0
44392161	Mono_Isotopic_Weight	451.262362685
85573568	Mono_Isotopic_Weight	97.063997236
137553932	Mono_Isotopic_Weight	354.15646954
448513	Molecular_Weight	150.18
59516084	Total_Formal_Charge	0
10032582	Covalent_Unit_Count	1
136704	Structure_Complexity	63.4
6220	Structure_Complexity	712
2176	Isotope_Atom_Count	0
156617951	Mono_Isotopic_Weight	342.11621151
66053	Defined_Bond_Stereo_Count	0
93055	Rotatable_Bond_Count	6
88267	Hydrogen_Bond_Acceptor_Count	1
31278	Undefined_Atom_Stereo_Count	0
44916	Mono_Isotopic_Weight	243.1753775
39034	Non-hydrogen_Atom_Count	32
133057415	Defined_Bond_Stereo_Count	0
88008	Hydrogen_Bond_Acceptor_Count	8
443868	Structure_Complexity	917
2455	Total_Formal_Charge	0
21263	Mono_Isotopic_Weight	100.052429494
14570995	Rotatable_Bond_Count	1
2778574	TPSA	9.2
10938769	Molecular_Weight	422.9
20232410	Covalent_Unit_Count	1
5459845	Structure_Complexity	191
266651	Undefined_Atom_Stereo_Count	12
131634493	Hydrogen_Bond_Acceptor_Count	35
56765705	Hydrogen_Bond_Donor_Count	1
10133	Rotatable_Bond_Count	4
5310993	Molecular_Weight	154.12
235970	Mono_Isotopic_Weight	434.1496163
16211233	Non-hydrogen_Atom_Count	12
155288862	Structure_Complexity	401
4708	Rotatable_Bond_Count	4
8600	Mono_Isotopic_Weight	270.07395278
71783	TPSA	238
13378766	Molecular_Weight	101.10
5020115	Non-hydrogen_Atom_Count	6
70687387	XLogP3-AA	3.3
21691039	Molecular_Weight	101.10
9221	Defined_Bond_Stereo_Count	0
812477	Hydrogen_Bond_Donor_Count	0
20593561	Covalent_Unit_Count	1
11403482	Exact_Mass	287.0349209
865974	Undefined_Bond_Stereo_Count	0
20275	Mono_Isotopic_Weight	254.05315
2863945	Rotatable_Bond_Count	3
70234124	Defined_Bond_Stereo_Count	0
54041	Exact_Mass	276.183778013
23978	Tautomer_Count	9
5364361	TPSA	0
54751657	Total_Formal_Charge	0
36054	Molecular_Weight	184.28
20690429	Rotatable_Bond_Count	8
70697352	Defined_Bond_Stereo_Count	0
137782	TPSA	0
24751	Non-hydrogen_Atom_Count	7
443423	Exact_Mass	286.13174244
62382	Defined_Bond_Stereo_Count	0
6433356	Total_Formal_Charge	0
9051	Mono_Isotopic_Weight	312.208930132
636367	Molecular_Weight	193.15
1516505	Total_Formal_Charge	0
28892	Rotatable_Bond_Count	12
63085159	XLogP3-AA	0.5
925852	Total_Formal_Charge	0
156615632	Hydrogen_Bond_Donor_Count	8
135013065	TPSA	31.2
157921	Exact_Mass	181.0505709
9875384	Covalent_Unit_Count	1
5954	Non-hydrogen_Atom_Count	18
51030901	Isotope_Atom_Count	0
45120378	XLogP3-AA	1.1
160743752	Hydrogen_Bond_Donor_Count	0
7283	XLogP3-AA	1
40302	Hydrogen_Bond_Acceptor_Count	3
76168	Hydrogen_Bond_Donor_Count	0
42552694	Rotatable_Bond_Count	4
71433133	Molecular_Weight	111.14
4403	Undefined_Bond_Stereo_Count	0
19944	Hydrogen_Bond_Donor_Count	0
89129308	Molecular_Weight	114.19
68668153	XLogP3-AA	2.1
44392148	Undefined_Atom_Stereo_Count	0
9741	Structure_Complexity	64.9
402037	Isotope_Atom_Count	0
12114682	Covalent_Unit_Count	3
535623	Exact_Mass	86.073164938
118328333	Covalent_Unit_Count	1
20055089	TPSA	12.5
140269	TPSA	0
71721420	Rotatable_Bond_Count	1
6223	Mono_Isotopic_Weight	326.03949928
8779	Covalent_Unit_Count	6
7774	Total_Formal_Charge	0
443956	Hydrogen_Bond_Donor_Count	10
8248	Tautomer_Count	6
11083834	Defined_Bond_Stereo_Count	0
2568387	Isotope_Atom_Count	0
129815925	Exact_Mass	96.068748264
6869	Non-hydrogen_Atom_Count	24
18343	Hydrogen_Bond_Donor_Count	3
55299692	Undefined_Atom_Stereo_Count	1
10510831	XLogP3-AA	0.6
216324	Tautomer_Count	1
131705759	Exact_Mass	303.14705815
234485	Isotope_Atom_Count	0
431097	Defined_Atom_Stereo_Count	0
12647544	Covalent_Unit_Count	1
193450	Structure_Complexity	297
4043	Isotope_Atom_Count	0
25008941	Total_Formal_Charge	0
58143028	Defined_Bond_Stereo_Count	0
19709	Exact_Mass	101.120449483
81099	Undefined_Atom_Stereo_Count	0
79059	TPSA	42.5
32698	Total_Formal_Charge	0
53477580	Total_Formal_Charge	0
119086019	TPSA	61.3
6435068	Structure_Complexity	574
715513	XLogP3-AA	4.4
33038	Structure_Complexity	311
31736	XLogP3	3.3
475341	Hydrogen_Bond_Acceptor_Count	3
20216100	Rotatable_Bond_Count	0
23	Hydrogen_Bond_Donor_Count	3
20357	Molecular_Weight	172.26
69826668	Undefined_Atom_Stereo_Count	0
25076512	Molecular_Weight	1634.8
49846579	Defined_Atom_Stereo_Count	0
44442027	Total_Formal_Charge	0
13810419	Undefined_Bond_Stereo_Count	0
139291730	Undefined_Bond_Stereo_Count	0
19900876	Covalent_Unit_Count	1
23675786	Mono_Isotopic_Weight	509.0191061
30479	Hydrogen_Bond_Acceptor_Count	5
69146	Covalent_Unit_Count	1
127403	Hydrogen_Bond_Acceptor_Count	3
83756	Hydrogen_Bond_Acceptor_Count	4
6359	Hydrogen_Bond_Donor_Count	0
11083864	Hydrogen_Bond_Donor_Count	1
448133	Hydrogen_Bond_Donor_Count	4
11049	Molecular_Weight	647.9
5311104	Isotope_Atom_Count	0
6477971	XLogP3-AA	4.1
69532978	Molecular_Weight	115.13
86134	Non-hydrogen_Atom_Count	23
79946	Defined_Atom_Stereo_Count	0
124769750	Total_Formal_Charge	0
6519	Total_Formal_Charge	0
22833295	Defined_Bond_Stereo_Count	0
22408669	Isotope_Atom_Count	0
301567	Mono_Isotopic_Weight	100.088815002
106824195	Hydrogen_Bond_Donor_Count	0
86277	Defined_Bond_Stereo_Count	0
37109	Mono_Isotopic_Weight	100.088815002
65773	Structure_Complexity	151
227112	Defined_Atom_Stereo_Count	0
96237	Undefined_Atom_Stereo_Count	0
3634	Structure_Complexity	443
133679779	Hydrogen_Bond_Acceptor_Count	1
23729769	Structure_Complexity	613
56955285	Isotope_Atom_Count	0
12394845	Defined_Bond_Stereo_Count	0
57750391	Undefined_Bond_Stereo_Count	0
3876660	Defined_Bond_Stereo_Count	0
31736	Defined_Atom_Stereo_Count	0
519726	Molecular_Weight	111.15
93521	Structure_Complexity	326
5354264	Total_Formal_Charge	0
265652	Molecular_Weight	106.15
11957635	TPSA	24.4
40463608	Defined_Atom_Stereo_Count	0
137699188	Rotatable_Bond_Count	13
5020	Tautomer_Count	268
20691	Mono_Isotopic_Weight	284.282763776
101254311	Hydrogen_Bond_Acceptor_Count	6
72661	Total_Formal_Charge	0
43552	TPSA	0
33014	Isotope_Atom_Count	0
18323	Rotatable_Bond_Count	2
594781	Isotope_Atom_Count	0
9129	Tautomer_Count	1
4228493	Mono_Isotopic_Weight	118.0185425
560	Structure_Complexity	177
17899	Hydrogen_Bond_Donor_Count	0
6418	Covalent_Unit_Count	1
4547	Total_Formal_Charge	0
637927	Defined_Bond_Stereo_Count	1
198015	Undefined_Bond_Stereo_Count	0
44349928	Defined_Atom_Stereo_Count	0
2162	XLogP3	3
66057	Hydrogen_Bond_Acceptor_Count	2
85026	TPSA	3.9
944	Undefined_Bond_Stereo_Count	0
25010550	Total_Formal_Charge	0
91571687	Non-hydrogen_Atom_Count	7
82332	Rotatable_Bond_Count	2
11539562	Rotatable_Bond_Count	4
5859	Undefined_Atom_Stereo_Count	0
5193	Undefined_Atom_Stereo_Count	1
91768	Tautomer_Count	1
166548151	Undefined_Atom_Stereo_Count	0
119086017	Non-hydrogen_Atom_Count	8
2583	Tautomer_Count	3
101944071	Molecular_Weight	346.2
11439	Defined_Atom_Stereo_Count	0
67533	Mono_Isotopic_Weight	338.1316542
13150	Defined_Bond_Stereo_Count	0
6730	Exact_Mass	280.0057849
57515	Molecular_Weight	599.5
15992306	Molecular_Weight	388.3
99033	Hydrogen_Bond_Acceptor_Count	5
6659	Isotope_Atom_Count	0
6432437	Rotatable_Bond_Count	1
6328035	Isotope_Atom_Count	0
612687	Hydrogen_Bond_Acceptor_Count	4
5297	TPSA	336
13915315	Defined_Atom_Stereo_Count	0
44291156	Structure_Complexity	3240
557908	XLogP3-AA	0
87906	Undefined_Atom_Stereo_Count	0
12301054	TPSA	20.2
3055174	TPSA	93.1
86412	Undefined_Atom_Stereo_Count	0
43813	Hydrogen_Bond_Donor_Count	1
99382	Hydrogen_Bond_Acceptor_Count	0
19100566	Hydrogen_Bond_Donor_Count	2
135472943	Total_Formal_Charge	0
10244018	TPSA	66.8
25123	Molecular_Weight	162.23
18302	Defined_Atom_Stereo_Count	0
76487	TPSA	70.1
75530316	Defined_Bond_Stereo_Count	0
9877	Covalent_Unit_Count	1
137553930	Total_Formal_Charge	0
135391135	XLogP3-AA	6.8
7292	Isotope_Atom_Count	0
5360516	Covalent_Unit_Count	1
8313	Exact_Mass	353.848008
18314227	XLogP3-AA	1.2
6321411	Non-hydrogen_Atom_Count	30
251910	Hydrogen_Bond_Acceptor_Count	4
6918493	Undefined_Atom_Stereo_Count	0
472	Hydrogen_Bond_Donor_Count	2
9903930	XLogP3-AA	2.1
15301	Defined_Bond_Stereo_Count	0
119373	Total_Formal_Charge	0
4098	Hydrogen_Bond_Acceptor_Count	4
12618	Rotatable_Bond_Count	2
20243737	Hydrogen_Bond_Acceptor_Count	1
77463	TPSA	9.7
6082	Defined_Bond_Stereo_Count	0
136874	Structure_Complexity	68.5
10885665	Undefined_Bond_Stereo_Count	0
53717135	Exact_Mass	98.073164938
114948	Mono_Isotopic_Weight	577.32641949
55299073	Molecular_Weight	113.11
68602	Defined_Bond_Stereo_Count	0
60201265	Defined_Atom_Stereo_Count	2
49787020	Exact_Mass	884.52456972
11988	Isotope_Atom_Count	0
88977	Exact_Mass	324.314063904
969462	Isotope_Atom_Count	0
16136	TPSA	0
14084036	XLogP3	0.2
90730816	Mono_Isotopic_Weight	83.073499291
145607000	Defined_Bond_Stereo_Count	0
23729666	Total_Formal_Charge	0
51683	Isotope_Atom_Count	0
105427064	Mono_Isotopic_Weight	116.047344113
1219914	Undefined_Atom_Stereo_Count	0
2676	Undefined_Bond_Stereo_Count	1
240767	Tautomer_Count	6
9957	XLogP3	0.9
96198	Structure_Complexity	143
87457638	TPSA	86
16049024	Non-hydrogen_Atom_Count	34
53628842	Covalent_Unit_Count	3
6906	Hydrogen_Bond_Acceptor_Count	0
3085416	Molecular_Weight	875.1
12082850	Undefined_Bond_Stereo_Count	0
60196440	Undefined_Bond_Stereo_Count	0
10257882	Structure_Complexity	1060
44590515	Undefined_Bond_Stereo_Count	0
4168	Defined_Bond_Stereo_Count	0
145607000	Structure_Complexity	74.9
13144653	XLogP3-AA	0.4
73219	Total_Formal_Charge	0
64371	Hydrogen_Bond_Acceptor_Count	1
661938	Exact_Mass	424.17983545
76922	Exact_Mass	113.02992040
37384	Total_Formal_Charge	0
27400	Undefined_Atom_Stereo_Count	0
36218	Isotope_Atom_Count	0
16224	Isotope_Atom_Count	0
513956	XLogP3-AA	4.7
14250	Mono_Isotopic_Weight	335.21876
23274077	Defined_Atom_Stereo_Count	0
66624283	Undefined_Atom_Stereo_Count	0
208922	Rotatable_Bond_Count	4
2734445	Non-hydrogen_Atom_Count	10
183729	Hydrogen_Bond_Donor_Count	0
73919	Non-hydrogen_Atom_Count	16
24901285	TPSA	119
92155	Total_Formal_Charge	0
5232423	Hydrogen_Bond_Acceptor_Count	3
53814234	Hydrogen_Bond_Donor_Count	1
66561	Undefined_Atom_Stereo_Count	0
22203	Non-hydrogen_Atom_Count	24
2890	Exact_Mass	247.12084340
57656869	Rotatable_Bond_Count	4
62823	Undefined_Atom_Stereo_Count	1
373735	Structure_Complexity	63.5
126011	Mono_Isotopic_Weight	390.16785316
162678	Isotope_Atom_Count	0
11788284	Defined_Bond_Stereo_Count	0
21719984	Exact_Mass	116.083729621
143007	Hydrogen_Bond_Acceptor_Count	1
644020	Non-hydrogen_Atom_Count	17
135408763	Rotatable_Bond_Count	0
5175	Covalent_Unit_Count	1
257630	Total_Formal_Charge	0
12362	Defined_Bond_Stereo_Count	0
66602	Undefined_Bond_Stereo_Count	0
13349554	Molecular_Weight	110.20
8454	Undefined_Atom_Stereo_Count	0
267577	Non-hydrogen_Atom_Count	32
135612794	Defined_Atom_Stereo_Count	0
44630251	Rotatable_Bond_Count	5
9458	Total_Formal_Charge	0
87468122	Rotatable_Bond_Count	3
70686982	Molecular_Weight	514.0
6386	Structure_Complexity	25.1
53359023	Undefined_Bond_Stereo_Count	0
15103	Structure_Complexity	97
9834129	Non-hydrogen_Atom_Count	12
89332529	Hydrogen_Bond_Acceptor_Count	6
52942848	Total_Formal_Charge	0
12029691	Undefined_Atom_Stereo_Count	0
705645	Hydrogen_Bond_Donor_Count	1
12077313	Non-hydrogen_Atom_Count	13
612499	Molecular_Weight	260.30
3374	Hydrogen_Bond_Acceptor_Count	5
82202	Covalent_Unit_Count	1
73759759	Undefined_Atom_Stereo_Count	4
1412	Total_Formal_Charge	0
5259916	Hydrogen_Bond_Donor_Count	2
10630437	Defined_Atom_Stereo_Count	0
25142043	Isotope_Atom_Count	0
16487	Hydrogen_Bond_Donor_Count	4
25001849	Mono_Isotopic_Weight	428.17723029
53935056	Structure_Complexity	37.1
11556427	Undefined_Bond_Stereo_Count	0
10031812	Undefined_Bond_Stereo_Count	0
11705034	Exact_Mass	447.1855608
57721	Molecular_Weight	485.5
106429	Defined_Bond_Stereo_Count	0
5363685	TPSA	34.1
5329020	Defined_Atom_Stereo_Count	0
1069	Total_Formal_Charge	0
4992	Covalent_Unit_Count	1
9973799	Isotope_Atom_Count	0
46889118	Undefined_Atom_Stereo_Count	0
85774373	Exact_Mass	112.088815002
65407	TPSA	185
58599	Hydrogen_Bond_Donor_Count	2
3906961	Undefined_Bond_Stereo_Count	0
76355	Hydrogen_Bond_Donor_Count	0
2405	Isotope_Atom_Count	0
69640	Hydrogen_Bond_Donor_Count	2
81653	Non-hydrogen_Atom_Count	7
7856	Structure_Complexity	41.2
31272	Total_Formal_Charge	0
7140	Rotatable_Bond_Count	3
11234794	Hydrogen_Bond_Donor_Count	4
23430	Non-hydrogen_Atom_Count	32
69862751	Exact_Mass	128.0545783
169573	Undefined_Atom_Stereo_Count	0
114853	Exact_Mass	139.90545
65622	TPSA	130
32249	Hydrogen_Bond_Donor_Count	1
637090	Mono_Isotopic_Weight	86.036779430
11593	Structure_Complexity	106
89723675	Covalent_Unit_Count	1
6971127	Molecular_Weight	128.21
44119603	Covalent_Unit_Count	1
84647654	Non-hydrogen_Atom_Count	8
71432895	Hydrogen_Bond_Donor_Count	1
16683095	Non-hydrogen_Atom_Count	8
8287	Molecular_Weight	362.3
53701	Total_Formal_Charge	0
3032537	Rotatable_Bond_Count	3
24705318	Exact_Mass	113.084063974
5311505	Undefined_Atom_Stereo_Count	0
13558	Non-hydrogen_Atom_Count	9
21192822	Non-hydrogen_Atom_Count	29
6921705	Undefined_Atom_Stereo_Count	0
28003	Defined_Atom_Stereo_Count	0
88344183	Rotatable_Bond_Count	10
123875607	Isotope_Atom_Count	0
133083713	Covalent_Unit_Count	1
3037082	Non-hydrogen_Atom_Count	31
15926139	Defined_Bond_Stereo_Count	0
15805	Exact_Mass	461.2121570
2794833	Structure_Complexity	77.8
243274	Non-hydrogen_Atom_Count	21
24999143	XLogP3-AA	4.6
11355437	Isotope_Atom_Count	0
90420227	Hydrogen_Bond_Donor_Count	1
25200541	Exact_Mass	209.95655405
445461	Non-hydrogen_Atom_Count	61
53436961	Defined_Atom_Stereo_Count	0
5191	Covalent_Unit_Count	1
442993	Defined_Bond_Stereo_Count	0
76973294	Undefined_Atom_Stereo_Count	6
24901140	Hydrogen_Bond_Donor_Count	4
16738703	Molecular_Weight	118.09
135975	Structure_Complexity	413
6503	Hydrogen_Bond_Donor_Count	4
66687596	Undefined_Atom_Stereo_Count	0
135499520	TPSA	155
3033767	Total_Formal_Charge	0
12603472	Total_Formal_Charge	0
641248	Molecular_Weight	100.16
96509	Isotope_Atom_Count	0
6438361	Hydrogen_Bond_Donor_Count	2
5463081	Exact_Mass	120.093900383
123558404	Structure_Complexity	88.1
10898663	Structure_Complexity	55.7
7471	Hydrogen_Bond_Donor_Count	0
3527810	Hydrogen_Bond_Donor_Count	2
1235	Undefined_Bond_Stereo_Count	0
67899	Rotatable_Bond_Count	0
71661158	Defined_Bond_Stereo_Count	0
10473927	Hydrogen_Bond_Acceptor_Count	4
136257761	Molecular_Weight	252.70
53869158	Undefined_Atom_Stereo_Count	0
446596	Defined_Bond_Stereo_Count	1
134593	Non-hydrogen_Atom_Count	8
13624278	Hydrogen_Bond_Acceptor_Count	3
9494	Defined_Atom_Stereo_Count	0
214321	Isotope_Atom_Count	0
616632	Undefined_Bond_Stereo_Count	0
1511	Rotatable_Bond_Count	3
78383862	TPSA	74.6
15951484	Undefined_Atom_Stereo_Count	1
2724372	Rotatable_Bond_Count	3
10025615	TPSA	40.5
13624278	Defined_Atom_Stereo_Count	0
5216	Undefined_Atom_Stereo_Count	0
2423	Defined_Atom_Stereo_Count	0
580518	Undefined_Bond_Stereo_Count	1
137706167	Hydrogen_Bond_Acceptor_Count	16
44308032	TPSA	56.9
53773588	Undefined_Bond_Stereo_Count	1
55851	Defined_Atom_Stereo_Count	3
159982	Total_Formal_Charge	0
5062	Undefined_Atom_Stereo_Count	5
124524089	TPSA	272
54178	Total_Formal_Charge	0
445319	Isotope_Atom_Count	0
16135415	Mono_Isotopic_Weight	2637.0983357
1549097	Mono_Isotopic_Weight	152.00175385
12994	Mono_Isotopic_Weight	78.021798072
13166	Mono_Isotopic_Weight	126.104465066
129407	Molecular_Weight	501.8
102402986	Hydrogen_Bond_Donor_Count	0
5365811	Isotope_Atom_Count	0
90753995	Total_Formal_Charge	0
24261	Defined_Atom_Stereo_Count	0
76292	Hydrogen_Bond_Acceptor_Count	2
519466	TPSA	50.4
101800463	TPSA	19
19966840	Hydrogen_Bond_Acceptor_Count	1
3392731	Molecular_Weight	502.8
63833	Structure_Complexity	638
4177	Hydrogen_Bond_Donor_Count	1
139062656	Hydrogen_Bond_Donor_Count	18
16682930	TPSA	0
8692	XLogP3	0.2
144369145	Undefined_Atom_Stereo_Count	0
85945952	Defined_Bond_Stereo_Count	0
49867936	Structure_Complexity	815
10482134	Defined_Atom_Stereo_Count	0
220936	TPSA	54.4
20760783	Undefined_Bond_Stereo_Count	0
23691029	Non-hydrogen_Atom_Count	16
123487779	Isotope_Atom_Count	0
135391139	Molecular_Weight	785.9
134879127	Rotatable_Bond_Count	4
137580	Structure_Complexity	55.4
24393	Defined_Atom_Stereo_Count	0
12200971	XLogP3-AA	0.3
179383	TPSA	33.4
57624328	Molecular_Weight	116.11
15007	Molecular_Weight	250.33
139585852	Rotatable_Bond_Count	0
4120	XLogP3-AA	1.3
60148392	Non-hydrogen_Atom_Count	27
19662	Mono_Isotopic_Weight	242.9756919
10985889	Hydrogen_Bond_Acceptor_Count	0
139291730	Undefined_Atom_Stereo_Count	0
77857	Structure_Complexity	316
53470	TPSA	40.5
129628761	Rotatable_Bond_Count	4
16028	XLogP3-AA	5.3
54367722	Defined_Atom_Stereo_Count	0
6917864	Exact_Mass	384.17841785
57357187	Non-hydrogen_Atom_Count	18
42614	Non-hydrogen_Atom_Count	14
517313	Undefined_Atom_Stereo_Count	0
23668193	Non-hydrogen_Atom_Count	4
56927704	Defined_Atom_Stereo_Count	8
635186	Isotope_Atom_Count	0
79956	Mono_Isotopic_Weight	401.05039832
1574	Hydrogen_Bond_Acceptor_Count	2
87292009	Mono_Isotopic_Weight	110.073164938
448223	Undefined_Atom_Stereo_Count	0
13521790	Mono_Isotopic_Weight	116.083729621
10527347	Covalent_Unit_Count	1
497803	Structure_Complexity	572
6426	Hydrogen_Bond_Acceptor_Count	2
3172	TPSA	3.2
11527635	Covalent_Unit_Count	1
2773450	Hydrogen_Bond_Donor_Count	1
134129858	Undefined_Atom_Stereo_Count	0
78408892	XLogP3-AA	0.1
22676885	Hydrogen_Bond_Acceptor_Count	2
153812620	Covalent_Unit_Count	1
10724	Exact_Mass	146.073164938
11634645	Structure_Complexity	643
9018	Hydrogen_Bond_Donor_Count	1
38881	Total_Formal_Charge	0
92765	TPSA	30.9
21713286	Non-hydrogen_Atom_Count	7
81059	Hydrogen_Bond_Donor_Count	4
46240	Tautomer_Count	1
6918296	TPSA	58.2
89646	Isotope_Atom_Count	0
54014222	Covalent_Unit_Count	1
13012673	Molecular_Weight	71.08
14794987	Rotatable_Bond_Count	1
19951	Undefined_Atom_Stereo_Count	0
12240030	Isotope_Atom_Count	0
2136	Isotope_Atom_Count	0
6999941	XLogP3-AA	2.2
44310254	Mono_Isotopic_Weight	382.1578689
119096	Molecular_Weight	292.33
21824035	Rotatable_Bond_Count	0
25195	Total_Formal_Charge	0
2733244	Structure_Complexity	108
8166	Undefined_Bond_Stereo_Count	0
15150444	Undefined_Bond_Stereo_Count	0
81426	Rotatable_Bond_Count	6
9604654	XLogP3-AA	1.1
185915	Undefined_Bond_Stereo_Count	0
62466	Defined_Bond_Stereo_Count	0
99132	Structure_Complexity	436
5589	Undefined_Atom_Stereo_Count	9
71258	Exact_Mass	314.17427596
9829162	Hydrogen_Bond_Acceptor_Count	6
374	Exact_Mass	202.01135253
83086	Mono_Isotopic_Weight	75.032028402
67518	Hydrogen_Bond_Donor_Count	0
90884886	Isotope_Atom_Count	0
8584	Isotope_Atom_Count	0
3465817	TPSA	104
1110	TPSA	74.6
12079	Defined_Atom_Stereo_Count	0
2967	TPSA	141
66110	Structure_Complexity	28.4
7697	Structure_Complexity	135
5081356	Mono_Isotopic_Weight	534.95758307
7585	XLogP3-AA	4.8
10892838	Hydrogen_Bond_Acceptor_Count	2
72034	Tautomer_Count	81
60196425	Defined_Bond_Stereo_Count	0
104748	Hydrogen_Bond_Acceptor_Count	4
96354	Defined_Bond_Stereo_Count	0
58375	Covalent_Unit_Count	1
1483	Non-hydrogen_Atom_Count	10
137076	Non-hydrogen_Atom_Count	8
2383	Undefined_Bond_Stereo_Count	0
8658	Hydrogen_Bond_Donor_Count	0
62873	Structure_Complexity	678
67944	Defined_Atom_Stereo_Count	0
19469	Isotope_Atom_Count	0
38687	Total_Formal_Charge	0
57438703	Molecular_Weight	116.04
979919	Non-hydrogen_Atom_Count	24
21306027	Hydrogen_Bond_Donor_Count	0
90927	Defined_Atom_Stereo_Count	0
12425338	Undefined_Bond_Stereo_Count	0
131885396	Molecular_Weight	309.38
165675	Hydrogen_Bond_Acceptor_Count	1
4590704	Defined_Bond_Stereo_Count	0
140449	Molecular_Weight	83.09
12933763	Structure_Complexity	128
44310721	TPSA	67.2
2283	Undefined_Atom_Stereo_Count	15
3080653	Molecular_Weight	1036.1
146158299	Rotatable_Bond_Count	4
65958	Undefined_Bond_Stereo_Count	0
45488121	Exact_Mass	422.15543222
2741326	Isotope_Atom_Count	0
6992563	Exact_Mass	287.19573968
312145	Undefined_Bond_Stereo_Count	0
17991084	TPSA	64.9
129317883	Undefined_Atom_Stereo_Count	1
15034112	Rotatable_Bond_Count	0
21987711	Molecular_Weight	113.16
347880	Structure_Complexity	216
101582408	Rotatable_Bond_Count	10
129606990	Exact_Mass	915.51914999
149164152	Defined_Bond_Stereo_Count	0
497100	Rotatable_Bond_Count	2
589692	Molecular_Weight	146.15
57370084	Rotatable_Bond_Count	4
82261	Molecular_Weight	212.74
649	Isotope_Atom_Count	0
667450	Rotatable_Bond_Count	0
7875	Defined_Bond_Stereo_Count	0
58473795	Undefined_Bond_Stereo_Count	0
563049	Hydrogen_Bond_Acceptor_Count	6
179822	Tautomer_Count	1
71459168	Total_Formal_Charge	0
153767626	Covalent_Unit_Count	1
6435156	Structure_Complexity	451
101742	Tautomer_Count	2
10444765	Undefined_Atom_Stereo_Count	0
18597	Defined_Atom_Stereo_Count	0
44349142	Total_Formal_Charge	0
3420996	Exact_Mass	184.182715385
135403646	Defined_Atom_Stereo_Count	0
409438	Non-hydrogen_Atom_Count	12
6917860	Hydrogen_Bond_Acceptor_Count	9
5152771	Covalent_Unit_Count	1
49853967	XLogP3-AA	2.9
12146	XLogP3-AA	1.9
68909	Molecular_Weight	367.3
77918	Defined_Bond_Stereo_Count	0
6324663	Defined_Atom_Stereo_Count	7
11178958	Undefined_Bond_Stereo_Count	0
25062766	Undefined_Atom_Stereo_Count	0
10197657	TPSA	43.1
44310254	Total_Formal_Charge	0
77554	Molecular_Weight	435.6
158638	Hydrogen_Bond_Acceptor_Count	5
22617237	TPSA	81.5
20111961	Defined_Atom_Stereo_Count	0
71583049	TPSA	113
3003191	Total_Formal_Charge	0
18755109	Isotope_Atom_Count	0
13597991	Isotope_Atom_Count	0
872	Non-hydrogen_Atom_Count	23
44393	XLogP3-AA	7
21969	Structure_Complexity	230
7517	Covalent_Unit_Count	1
6762	Total_Formal_Charge	0
9939865	Non-hydrogen_Atom_Count	34
22082547	Hydrogen_Bond_Acceptor_Count	3
21482444	Non-hydrogen_Atom_Count	8
81223	Defined_Atom_Stereo_Count	0
122608345	Covalent_Unit_Count	1
18720	Isotope_Atom_Count	0
44571868	Mono_Isotopic_Weight	403.18959167
213016	TPSA	69.5
9642	Total_Formal_Charge	0
121719	Tautomer_Count	2
67214459	Defined_Atom_Stereo_Count	0
13275542	XLogP3-AA	0.6
13112619	TPSA	12
130122759	Structure_Complexity	111
5248048	Hydrogen_Bond_Acceptor_Count	1
60196260	Covalent_Unit_Count	2
45168044	XLogP3-AA	4.4
140672839	Undefined_Bond_Stereo_Count	0
145994872	Covalent_Unit_Count	2
91583	Covalent_Unit_Count	1
121596705	Defined_Bond_Stereo_Count	0
6918160	Isotope_Atom_Count	0
8193	Non-hydrogen_Atom_Count	13
13795006	Non-hydrogen_Atom_Count	8
18668047	Mono_Isotopic_Weight	111.068413911
91820194	TPSA	121
90713931	Structure_Complexity	2330
88261	Hydrogen_Bond_Donor_Count	2
126977538	Rotatable_Bond_Count	2
11869	XLogP3	2.9
6054	Defined_Bond_Stereo_Count	0
14986	Total_Formal_Charge	0
11934	XLogP3	5.1
14178853	Hydrogen_Bond_Donor_Count	0
53359023	Undefined_Atom_Stereo_Count	0
83478498	Hydrogen_Bond_Donor_Count	1
129734884	Structure_Complexity	736
52948200	Defined_Atom_Stereo_Count	1
6967	Mono_Isotopic_Weight	287.00344812
439224	Structure_Complexity	259
1252759	Hydrogen_Bond_Donor_Count	0
17816	Defined_Atom_Stereo_Count	0
11655119	Rotatable_Bond_Count	6
2799	Defined_Bond_Stereo_Count	0
97006	Tautomer_Count	2
726944	Undefined_Bond_Stereo_Count	0
140363414	Exact_Mass	102.079312947
71597331	Non-hydrogen_Atom_Count	36
9813119	Tautomer_Count	1
22212137	TPSA	18.5
71888	TPSA	94.8
112711235	Rotatable_Bond_Count	1
91585	Undefined_Atom_Stereo_Count	1
156595906	Defined_Atom_Stereo_Count	12
122051	Hydrogen_Bond_Acceptor_Count	1
51	Molecular_Weight	146.10
62430	Total_Formal_Charge	0
19704592	Defined_Bond_Stereo_Count	0
2724032	Total_Formal_Charge	0
16051995	Non-hydrogen_Atom_Count	53
8663	Non-hydrogen_Atom_Count	11
39764	Hydrogen_Bond_Donor_Count	0
53763878	Covalent_Unit_Count	1
13037934	Isotope_Atom_Count	0
11976366	Defined_Atom_Stereo_Count	0
122376379	XLogP3-AA	6.3
61631	Mono_Isotopic_Weight	170.130679813
5329027	Non-hydrogen_Atom_Count	29
3796	Covalent_Unit_Count	1
53475321	Structure_Complexity	645
4077	Hydrogen_Bond_Acceptor_Count	4
10953453	XLogP3-AA	0.4
118855910	Structure_Complexity	151
19188	Covalent_Unit_Count	1
9283	Rotatable_Bond_Count	3
4830	Isotope_Atom_Count	0
28315	Undefined_Atom_Stereo_Count	0
441335	Mono_Isotopic_Weight	426.1364648
25058411	Defined_Atom_Stereo_Count	6
9230	Hydrogen_Bond_Acceptor_Count	0
98174	Exact_Mass	263.131014166
2119	Molecular_Weight	249.35
67808	Rotatable_Bond_Count	1
449575	Defined_Atom_Stereo_Count	5
1548972	Structure_Complexity	590
115087054	Covalent_Unit_Count	1
3037936	Undefined_Atom_Stereo_Count	0
71309671	Hydrogen_Bond_Acceptor_Count	6
122214397	Exact_Mass	532.97501113
58599	Structure_Complexity	316
451188	Non-hydrogen_Atom_Count	12
58870	Hydrogen_Bond_Donor_Count	2
67570	Total_Formal_Charge	0
139920	Tautomer_Count	1
638144	Defined_Bond_Stereo_Count	1
18542	Structure_Complexity	543
5311027	Structure_Complexity	541
44455117	Mono_Isotopic_Weight	377.11218768
12875216	Non-hydrogen_Atom_Count	56
70540665	Defined_Bond_Stereo_Count	0
77342	Isotope_Atom_Count	0
71140	TPSA	47.3
173685	Defined_Bond_Stereo_Count	0
11350701	Exact_Mass	421.1656007
2332	Rotatable_Bond_Count	1
7058029	Exact_Mass	148.088815002
71583269	Undefined_Bond_Stereo_Count	0
955	Undefined_Atom_Stereo_Count	0
20093437	Total_Formal_Charge	0
85057	Hydrogen_Bond_Donor_Count	2
14008744	Covalent_Unit_Count	1
68850055	Undefined_Bond_Stereo_Count	0
57159129	Hydrogen_Bond_Acceptor_Count	3
92831	Undefined_Bond_Stereo_Count	0
88767	Molecular_Weight	355.3
11987858	Undefined_Atom_Stereo_Count	0
71355988	Isotope_Atom_Count	0
22833317	Molecular_Weight	192.25
657250	Mono_Isotopic_Weight	665.30474055
5367460	Mono_Isotopic_Weight	306.255880323
12940701	Hydrogen_Bond_Donor_Count	0
44539266	Rotatable_Bond_Count	9
129320410	Undefined_Atom_Stereo_Count	1
12132	Defined_Bond_Stereo_Count	0
2585	Defined_Atom_Stereo_Count	0
7764	Tautomer_Count	1
57064571	Hydrogen_Bond_Donor_Count	0
83170	Undefined_Atom_Stereo_Count	0
135876149	Defined_Atom_Stereo_Count	9
5581	Covalent_Unit_Count	1
31416	Rotatable_Bond_Count	4
56928080	Non-hydrogen_Atom_Count	39
57888	Mono_Isotopic_Weight	356.20999276
1549018	Hydrogen_Bond_Acceptor_Count	1
71184	XLogP3-AA	1
7356	Total_Formal_Charge	0
71456042	Exact_Mass	484.13042228
65127	Rotatable_Bond_Count	3
17392	Non-hydrogen_Atom_Count	27
24181476	Rotatable_Bond_Count	0
8562	Hydrogen_Bond_Acceptor_Count	3
143562	Total_Formal_Charge	0
1993	TPSA	26.3
13652	TPSA	0
599	Defined_Bond_Stereo_Count	0
4739	Structure_Complexity	356
77342	Defined_Bond_Stereo_Count	0
10997046	Tautomer_Count	1
845588	Defined_Bond_Stereo_Count	0
118253852	Total_Formal_Charge	0
11633904	Exact_Mass	456.21614077
101543	Hydrogen_Bond_Donor_Count	5
70689792	Hydrogen_Bond_Acceptor_Count	7
721456	Total_Formal_Charge	0
6790	Mono_Isotopic_Weight	223.03031432
853433	Defined_Bond_Stereo_Count	1
12301251	Isotope_Atom_Count	0
24892775	Covalent_Unit_Count	1
65067	Non-hydrogen_Atom_Count	15
71681318	TPSA	69.7
665063	Rotatable_Bond_Count	4
4284	Mono_Isotopic_Weight	191.131014166
12623598	Defined_Bond_Stereo_Count	0
2097895	Hydrogen_Bond_Donor_Count	1
65770	Undefined_Bond_Stereo_Count	0
6604042	Structure_Complexity	198
11685945	Hydrogen_Bond_Donor_Count	7
9261	Hydrogen_Bond_Acceptor_Count	2
3151	Rotatable_Bond_Count	5
25030387	Undefined_Bond_Stereo_Count	0
13398	Exact_Mass	140.120115130
244030	Hydrogen_Bond_Donor_Count	0
4735	Non-hydrogen_Atom_Count	25
25132953	XLogP3-AA	2.3
11725766	XLogP3-AA	4.7
154557922	Structure_Complexity	90.1
24066	Hydrogen_Bond_Donor_Count	2
25130088	Undefined_Atom_Stereo_Count	0
10206844	Covalent_Unit_Count	1
10176	Defined_Bond_Stereo_Count	0
86278438	XLogP3-AA	3.1
7899	Total_Formal_Charge	0
86289068	Rotatable_Bond_Count	0
66726979	Hydrogen_Bond_Acceptor_Count	8
10887840	Defined_Atom_Stereo_Count	0
79196	XLogP3-AA	0
53494828	Rotatable_Bond_Count	1
64111	Structure_Complexity	693
122672078	Mono_Isotopic_Weight	112.088815002
2650	Non-hydrogen_Atom_Count	37
8395	Exact_Mass	324.09977361
23724962	Mono_Isotopic_Weight	286.0832680
11340940	Isotope_Atom_Count	0
75498	Defined_Bond_Stereo_Count	0
68891	Undefined_Atom_Stereo_Count	0
325086	Rotatable_Bond_Count	1
10689555	Hydrogen_Bond_Acceptor_Count	9
497266	Hydrogen_Bond_Acceptor_Count	10
47685	Tautomer_Count	1
11829356	Structure_Complexity	67.9
156035640	Covalent_Unit_Count	1
142952	Structure_Complexity	107
641298	Structure_Complexity	163
134687040	Mono_Isotopic_Weight	545.23667825
439263	Non-hydrogen_Atom_Count	11
66828839	Undefined_Bond_Stereo_Count	0
5702609	Exact_Mass	264.13615911
9445	Structure_Complexity	186
3951	Undefined_Bond_Stereo_Count	0
12724398	Molecular_Weight	112.17
67564795	Undefined_Bond_Stereo_Count	0
72699435	Total_Formal_Charge	0
64040	Covalent_Unit_Count	1
135398687	Covalent_Unit_Count	1
44864	Undefined_Bond_Stereo_Count	0
10167713	Structure_Complexity	1020
11048	Hydrogen_Bond_Donor_Count	0
44563178	Undefined_Bond_Stereo_Count	0
50944	Molecular_Weight	245.25
73433376	Isotope_Atom_Count	0
2958	Tautomer_Count	54
19138	Undefined_Bond_Stereo_Count	0
823816	Exact_Mass	347.10923335
89053264	Rotatable_Bond_Count	1
643835	Hydrogen_Bond_Donor_Count	0
46202743	XLogP3-AA	3.3
12303662	Mono_Isotopic_Weight	414.386166214
60700	Hydrogen_Bond_Acceptor_Count	7
13194811	Hydrogen_Bond_Donor_Count	0
10757	Rotatable_Bond_Count	2
57114132	Total_Formal_Charge	0
87119	Undefined_Bond_Stereo_Count	0
32503	Structure_Complexity	169
3033017	Tautomer_Count	3
53477794	Covalent_Unit_Count	1
66319	Rotatable_Bond_Count	1
9939927	Mono_Isotopic_Weight	700.32788900
2367	Molecular_Weight	472.4
1560	Total_Formal_Charge	0
11470068	Structure_Complexity	133
12175949	Defined_Bond_Stereo_Count	0
15150444	Undefined_Atom_Stereo_Count	0
60740	Hydrogen_Bond_Acceptor_Count	2
123790252	Undefined_Bond_Stereo_Count	0
147201521	Defined_Atom_Stereo_Count	0
56327	Covalent_Unit_Count	1
123888456	Covalent_Unit_Count	1
10920441	Exact_Mass	72.021129366
13758360	Exact_Mass	112.100048391
83569	Isotope_Atom_Count	0
72941990	Mono_Isotopic_Weight	390.0625864
3526	XLogP3-AA	1.7
75982	Hydrogen_Bond_Acceptor_Count	3
11286443	Undefined_Atom_Stereo_Count	0
521169	Tautomer_Count	1
11286436	Molecular_Weight	73.09
129638548	Rotatable_Bond_Count	0
9549168	TPSA	552
20514191	Rotatable_Bond_Count	0
101222073	Exact_Mass	646.28903092
17852315	Hydrogen_Bond_Donor_Count	1
12648279	Mono_Isotopic_Weight	134.0498427
91400094	Rotatable_Bond_Count	6
731361	Undefined_Bond_Stereo_Count	1
6437392	TPSA	134
77949	Defined_Bond_Stereo_Count	0
4479	Undefined_Atom_Stereo_Count	9
123215474	Defined_Bond_Stereo_Count	0
6328648	Mono_Isotopic_Weight	141.109952077
5323604	Rotatable_Bond_Count	2
138440	Rotatable_Bond_Count	2
23116322	Molecular_Weight	574.7
91486118	Exact_Mass	113.058911855
70846	Undefined_Bond_Stereo_Count	0
161166	Undefined_Bond_Stereo_Count	0
671690	Mono_Isotopic_Weight	313.0636342
4875	Molecular_Weight	166.0028
77829	Total_Formal_Charge	0
5380976	Rotatable_Bond_Count	1
12855	Defined_Bond_Stereo_Count	0
146487258	Exact_Mass	116.083729621
2383	Undefined_Atom_Stereo_Count	0
79724	Undefined_Atom_Stereo_Count	0
7566942	TPSA	190
104933	Isotope_Atom_Count	0
20372060	TPSA	46.2
67108333	Isotope_Atom_Count	0
68414798	Molecular_Weight	387.4
46885189	XLogP3-AA	3
119242	Total_Formal_Charge	0
130642949	Undefined_Atom_Stereo_Count	1
4101	Mono_Isotopic_Weight	140.106196400
44422352	Structure_Complexity	821
54581904	Covalent_Unit_Count	1
12508473	Rotatable_Bond_Count	1
10093379	Total_Formal_Charge	0
23103366	Isotope_Atom_Count	0
135398727	Tautomer_Count	9
5281607	Structure_Complexity	384
24848261	Hydrogen_Bond_Acceptor_Count	4
21784	Covalent_Unit_Count	3
3114	Isotope_Atom_Count	0
60824	Molecular_Weight	349.30
2724564	Hydrogen_Bond_Acceptor_Count	2
23	Defined_Bond_Stereo_Count	0
51948	Exact_Mass	297.18143228
20133182	Structure_Complexity	81.7
6918309	Total_Formal_Charge	0
14262	Hydrogen_Bond_Donor_Count	0
132279500	Structure_Complexity	99.2
87642	Defined_Atom_Stereo_Count	5
114834	Hydrogen_Bond_Donor_Count	0
779179	Undefined_Atom_Stereo_Count	0
12372	XLogP3	2.2
148837658	Total_Formal_Charge	0
9855548	Hydrogen_Bond_Donor_Count	2
8024	XLogP3-AA	1.3
46226173	Undefined_Atom_Stereo_Count	0
65499	Defined_Bond_Stereo_Count	0
31953	Rotatable_Bond_Count	3
89389546	Isotope_Atom_Count	0
6040	Mono_Isotopic_Weight	233.141578849
98365	Exact_Mass	172.063662883
139352	TPSA	54.4
49827815	Mono_Isotopic_Weight	505.31920885
3052777	Non-hydrogen_Atom_Count	25
1328	Undefined_Atom_Stereo_Count	0
6940	Hydrogen_Bond_Donor_Count	1
1605	Isotope_Atom_Count	0
564751	Molecular_Weight	231.33
58914	Isotope_Atom_Count	0
90916291	Hydrogen_Bond_Donor_Count	1
76957520	Undefined_Atom_Stereo_Count	0
106831	Defined_Bond_Stereo_Count	0
7579	Structure_Complexity	162
7675	Molecular_Weight	123.15
15953	Total_Formal_Charge	0
14523483	Undefined_Bond_Stereo_Count	0
3158	Hydrogen_Bond_Acceptor_Count	2
3427	Structure_Complexity	382
93089	Defined_Atom_Stereo_Count	0
9885981	Hydrogen_Bond_Acceptor_Count	5
5702077	Covalent_Unit_Count	1
9740	Exact_Mass	85.016378338
71316600	XLogP3-AA	7.7
44181920	Defined_Atom_Stereo_Count	0
535110	Mono_Isotopic_Weight	98.073164938
73891153	Covalent_Unit_Count	1
70789202	Defined_Atom_Stereo_Count	0
131673970	TPSA	85.4
17764882	Exact_Mass	116.058577502
50981	Total_Formal_Charge	0
24621	Rotatable_Bond_Count	0
8283	Defined_Atom_Stereo_Count	0
11257	Rotatable_Bond_Count	3
9024	Mono_Isotopic_Weight	192.115029749
44350128	XLogP3-AA	1.5
65874	Hydrogen_Bond_Acceptor_Count	7
137207	TPSA	0
9248	Mono_Isotopic_Weight	182.167065321
5353356	Exact_Mass	198.03890469
79178156	TPSA	37.3
2098	Covalent_Unit_Count	1
3058754	Hydrogen_Bond_Acceptor_Count	8
56982924	Hydrogen_Bond_Donor_Count	1
22096	Hydrogen_Bond_Acceptor_Count	7
927	Total_Formal_Charge	0
54681623	Structure_Complexity	600
267	Isotope_Atom_Count	0
135413545	Non-hydrogen_Atom_Count	38
9892481	Rotatable_Bond_Count	11
16683	Exact_Mass	174.08920892
6762	Hydrogen_Bond_Donor_Count	0
101574147	Hydrogen_Bond_Acceptor_Count	7
10171348	Undefined_Bond_Stereo_Count	0
12242	Isotope_Atom_Count	0
6429536	Mono_Isotopic_Weight	199.93343
31738	Non-hydrogen_Atom_Count	13
965784	XLogP3-AA	4
17118	Covalent_Unit_Count	2
33944	Tautomer_Count	1
12425338	Defined_Atom_Stereo_Count	0
7949	Hydrogen_Bond_Donor_Count	1
68365445	Hydrogen_Bond_Donor_Count	0
7713	Total_Formal_Charge	0
24883466	TPSA	279
3009363	Isotope_Atom_Count	0
3086576	Defined_Bond_Stereo_Count	0
68553	TPSA	93.1
22220875	Defined_Bond_Stereo_Count	0
130443287	Hydrogen_Bond_Donor_Count	5
3871	Molecular_Weight	344.31
80230	Rotatable_Bond_Count	0
39421	Undefined_Atom_Stereo_Count	10
24848260	Hydrogen_Bond_Acceptor_Count	2
3951	Defined_Atom_Stereo_Count	0
6918473	Exact_Mass	1163.56062088
121249	Rotatable_Bond_Count	4
27670	Defined_Atom_Stereo_Count	0
5113032	Molecular_Weight	248.71
10305301	Defined_Atom_Stereo_Count	1
91556	TPSA	63.6
24066	Tautomer_Count	3
24946802	Undefined_Atom_Stereo_Count	0
16118392	Molecular_Weight	633.7
54601732	Mono_Isotopic_Weight	765.18484335
361762	Covalent_Unit_Count	1
16186010	Defined_Bond_Stereo_Count	0
98042	Isotope_Atom_Count	0
23695324	Exact_Mass	305.99225140
9889823	Undefined_Atom_Stereo_Count	0
30251	Molecular_Weight	284.2
61701	Structure_Complexity	208
11268547	Hydrogen_Bond_Donor_Count	2
54206132	Non-hydrogen_Atom_Count	7
88447703	Covalent_Unit_Count	1
46898058	Undefined_Atom_Stereo_Count	0
11886769	Covalent_Unit_Count	1
57395178	Hydrogen_Bond_Donor_Count	0
20992	Covalent_Unit_Count	1
11357	Mono_Isotopic_Weight	121.089149355
11725	Non-hydrogen_Atom_Count	5
12687	Defined_Bond_Stereo_Count	0
681133	Non-hydrogen_Atom_Count	22
89908	Total_Formal_Charge	0
5281072	Rotatable_Bond_Count	6
83669972	Rotatable_Bond_Count	0
76318728	TPSA	18.5
143009217	Structure_Complexity	138
44623937	XLogP3-AA	3
69591	Hydrogen_Bond_Acceptor_Count	1
81540	Structure_Complexity	54
138358	Mono_Isotopic_Weight	98.109550447
8788	Undefined_Bond_Stereo_Count	0
69064	Total_Formal_Charge	0
6867	Total_Formal_Charge	0
45356230	Hydrogen_Bond_Acceptor_Count	2
398701	Defined_Bond_Stereo_Count	0
44449087	Total_Formal_Charge	0
11320929	Mono_Isotopic_Weight	116.047344113
148121	Non-hydrogen_Atom_Count	35
20056950	Rotatable_Bond_Count	3
36995	Undefined_Bond_Stereo_Count	0
1305	Defined_Atom_Stereo_Count	0
10454	Undefined_Atom_Stereo_Count	0
12171	Structure_Complexity	73.3
72213403	Rotatable_Bond_Count	0
25191022	Hydrogen_Bond_Acceptor_Count	10
160419	Defined_Atom_Stereo_Count	0
5484736	Molecular_Weight	389.4
6919467	Undefined_Atom_Stereo_Count	0
16220172	Undefined_Atom_Stereo_Count	0
11054313	Rotatable_Bond_Count	2
21278826	Covalent_Unit_Count	1
7093102	TPSA	9.2
131720661	Mono_Isotopic_Weight	228.06338810
14781907	Undefined_Bond_Stereo_Count	0
542372	XLogP3-AA	2.3
12470257	Covalent_Unit_Count	1
94532	Undefined_Bond_Stereo_Count	0
6473878	Undefined_Bond_Stereo_Count	0
1981	Defined_Bond_Stereo_Count	0
12302694	Hydrogen_Bond_Donor_Count	8
751496	Exact_Mass	334.13511374
53304446	Total_Formal_Charge	0
23675341	Covalent_Unit_Count	2
115358	Covalent_Unit_Count	1
11752	Undefined_Atom_Stereo_Count	0
60712	Hydrogen_Bond_Donor_Count	2
6627	Hydrogen_Bond_Acceptor_Count	0
670580	Mono_Isotopic_Weight	320.04310506
3307	Rotatable_Bond_Count	2
20465	Tautomer_Count	3
71624469	Hydrogen_Bond_Acceptor_Count	4
53846436	Defined_Bond_Stereo_Count	0
5564	Mono_Isotopic_Weight	287.951163
535197	Exact_Mass	98.073164938
5287969	Defined_Bond_Stereo_Count	0
45238	Undefined_Atom_Stereo_Count	2
135409384	Undefined_Atom_Stereo_Count	2
5284584	Isotope_Atom_Count	0
415984	Covalent_Unit_Count	1
24582	XLogP3-AA	13
647840	Exact_Mass	337.12602622
77117	Mono_Isotopic_Weight	153.99446384
2724564	Structure_Complexity	96.6
831	Hydrogen_Bond_Donor_Count	3
83478498	Structure_Complexity	84.1
67056782	Hydrogen_Bond_Donor_Count	0
6515	Isotope_Atom_Count	0
2762887	Isotope_Atom_Count	0
4265	Structure_Complexity	904
121397587	Hydrogen_Bond_Acceptor_Count	10
8333	Non-hydrogen_Atom_Count	16
11499245	Exact_Mass	152.0444878
16220015	Molecular_Weight	360.4
11208	Covalent_Unit_Count	1
53992423	Hydrogen_Bond_Acceptor_Count	2
192857	Covalent_Unit_Count	2
10233356	Non-hydrogen_Atom_Count	45
44517	Defined_Bond_Stereo_Count	0
71533242	Total_Formal_Charge	0
18212	Mono_Isotopic_Weight	197.12766012
23712863	Exact_Mass	105.1426841
10993	XLogP3-AA	1.3
46830487	Covalent_Unit_Count	1
6399253	Isotope_Atom_Count	0
90735699	Undefined_Bond_Stereo_Count	0
533854	Hydrogen_Bond_Donor_Count	1
10946	Defined_Atom_Stereo_Count	0
12130	Tautomer_Count	1
54586720	Hydrogen_Bond_Donor_Count	1
68356363	Total_Formal_Charge	0
5328126	Hydrogen_Bond_Donor_Count	2
90444	Total_Formal_Charge	0
2393	Defined_Atom_Stereo_Count	0
6436658	Hydrogen_Bond_Donor_Count	4
522769	Total_Formal_Charge	0
76963096	Mono_Isotopic_Weight	488.10733165
39066	Covalent_Unit_Count	1
92888	Total_Formal_Charge	0
3393	Non-hydrogen_Atom_Count	27
13643838	Defined_Bond_Stereo_Count	0
80428	Hydrogen_Bond_Acceptor_Count	0
3614092	Hydrogen_Bond_Donor_Count	1
7566944	Covalent_Unit_Count	1
5284554	Hydrogen_Bond_Donor_Count	5
83763	TPSA	20.2
58152970	Non-hydrogen_Atom_Count	15
20811708	Hydrogen_Bond_Donor_Count	0
894327	Mono_Isotopic_Weight	289.121512110
3614551	Isotope_Atom_Count	0
6518103	Undefined_Bond_Stereo_Count	0
688763	Defined_Bond_Stereo_Count	0
12314120	Mono_Isotopic_Weight	548.29853298
66304	Tautomer_Count	1
30623	Rotatable_Bond_Count	3
5460044	Defined_Bond_Stereo_Count	0
30824	Defined_Bond_Stereo_Count	0
21718	Hydrogen_Bond_Acceptor_Count	8
2562	Undefined_Bond_Stereo_Count	0
2062	Rotatable_Bond_Count	6
4484	Hydrogen_Bond_Donor_Count	4
54572926	Undefined_Atom_Stereo_Count	0
135539121	Isotope_Atom_Count	0
135449331	Tautomer_Count	15
13776	Covalent_Unit_Count	3
5466139	Rotatable_Bond_Count	1
58992	Isotope_Atom_Count	0
9797661	XLogP3-AA	3.7
9838022	Rotatable_Bond_Count	5
7771	Total_Formal_Charge	0
57438703	Undefined_Atom_Stereo_Count	0
53394791	Rotatable_Bond_Count	14
21493122	Mono_Isotopic_Weight	96.068748264
91740	Defined_Atom_Stereo_Count	0
734884	Isotope_Atom_Count	0
118052396	Total_Formal_Charge	0
63013	Defined_Bond_Stereo_Count	0
10855	Non-hydrogen_Atom_Count	16
8917	Covalent_Unit_Count	1
53038	Total_Formal_Charge	0
547067	Undefined_Atom_Stereo_Count	1
15558252	Structure_Complexity	1410
23077956	Undefined_Bond_Stereo_Count	0
9287	Undefined_Bond_Stereo_Count	0
134688323	Hydrogen_Bond_Acceptor_Count	5
11271	Structure_Complexity	72.4
101306917	Hydrogen_Bond_Acceptor_Count	4
68705	XLogP3-AA	4.8
88483	Isotope_Atom_Count	0
129758641	Covalent_Unit_Count	2
70810	Rotatable_Bond_Count	1
13285795	Mono_Isotopic_Weight	85.052763847
45085139	Non-hydrogen_Atom_Count	8
13337173	Exact_Mass	112.088815002
79003661	Undefined_Bond_Stereo_Count	0
95162415	Undefined_Atom_Stereo_Count	0
25078015	Exact_Mass	1535.68521428
1549062	Defined_Atom_Stereo_Count	0
78819	Defined_Bond_Stereo_Count	0
131709156	Undefined_Bond_Stereo_Count	0
21917899	Undefined_Atom_Stereo_Count	0
5279171	Isotope_Atom_Count	0
15983553	Molecular_Weight	455.5
54250649	Defined_Atom_Stereo_Count	0
62865	Hydrogen_Bond_Donor_Count	0
42317	Undefined_Bond_Stereo_Count	0
68296308	Defined_Bond_Stereo_Count	0
9889823	Molecular_Weight	447.5
137184495	Non-hydrogen_Atom_Count	31
23087	TPSA	50.1
18345891	Undefined_Bond_Stereo_Count	0
854418	Mono_Isotopic_Weight	267.100776666
49985	Tautomer_Count	1
54726192	Undefined_Atom_Stereo_Count	0
3192	Defined_Bond_Stereo_Count	0
3437285	Defined_Atom_Stereo_Count	0
6828	Exact_Mass	268.157563266
16120	Covalent_Unit_Count	1
40652	Defined_Bond_Stereo_Count	0
5320621	Defined_Bond_Stereo_Count	2
24848321	Non-hydrogen_Atom_Count	21
3041256	Hydrogen_Bond_Donor_Count	1
70717	Molecular_Weight	113.11
86623588	Covalent_Unit_Count	2
2734247	Non-hydrogen_Atom_Count	20
464205	Structure_Complexity	354
124201618	Mono_Isotopic_Weight	690.32985036
69589310	Mono_Isotopic_Weight	114.104465066
5808	Rotatable_Bond_Count	4
52997	Isotope_Atom_Count	0
8510	Non-hydrogen_Atom_Count	20
24776154	Undefined_Atom_Stereo_Count	1
22057968	Defined_Atom_Stereo_Count	0
34468	Hydrogen_Bond_Acceptor_Count	9
12161	Molecular_Weight	118.18
69674281	Structure_Complexity	112
82418996	TPSA	75.8
5702628	TPSA	40.5
135779804	Rotatable_Bond_Count	4
7842	Hydrogen_Bond_Acceptor_Count	0
15009279	Total_Formal_Charge	0
18908	Total_Formal_Charge	0
9823224	Molecular_Weight	416.6
5362485	Undefined_Bond_Stereo_Count	0
53779	Total_Formal_Charge	0
592645	Non-hydrogen_Atom_Count	12
135415794	Undefined_Bond_Stereo_Count	0
39971	Covalent_Unit_Count	1
31229	Undefined_Atom_Stereo_Count	0
3016754	Rotatable_Bond_Count	7
17572160	Defined_Bond_Stereo_Count	9
5487972	Covalent_Unit_Count	1
57156265	Mono_Isotopic_Weight	108.057514874
11407637	XLogP3-AA	2.4
24550	TPSA	0
31357	Undefined_Atom_Stereo_Count	0
87642220	Non-hydrogen_Atom_Count	23
60464	Undefined_Atom_Stereo_Count	0
153963013	Hydrogen_Bond_Acceptor_Count	4
148546155	TPSA	64.9
129694674	Hydrogen_Bond_Acceptor_Count	1
14786610	Defined_Bond_Stereo_Count	0
442941	Covalent_Unit_Count	1
59194207	XLogP3-AA	0.7
71117	Isotope_Atom_Count	0
10332398	Defined_Atom_Stereo_Count	0
10093379	Isotope_Atom_Count	0
71451733	Undefined_Bond_Stereo_Count	0
637520	Rotatable_Bond_Count	3
5326971	Rotatable_Bond_Count	7
67553	Mono_Isotopic_Weight	369.18925
1204288	Undefined_Atom_Stereo_Count	0
23354329	Undefined_Atom_Stereo_Count	0
723	Covalent_Unit_Count	1
20188397	Rotatable_Bond_Count	0
119921	Isotope_Atom_Count	0
61574	Rotatable_Bond_Count	16
167451	TPSA	27.8
5362376	Undefined_Atom_Stereo_Count	0
86088606	Non-hydrogen_Atom_Count	8
10931	Isotope_Atom_Count	0
91171	Exact_Mass	118.099379685
18373078	Molecular_Weight	97.07
18327244	Molecular_Weight	287.4
3016390	Hydrogen_Bond_Donor_Count	2
5287541	Tautomer_Count	1
4366894	Hydrogen_Bond_Acceptor_Count	0
9723	Hydrogen_Bond_Donor_Count	2
11476460	Covalent_Unit_Count	1
101316975	Non-hydrogen_Atom_Count	38
41743	Rotatable_Bond_Count	2
833854	Structure_Complexity	338
53947578	Defined_Bond_Stereo_Count	0
12084878	Defined_Atom_Stereo_Count	0
11627212	Molecular_Weight	484.6
68437	Isotope_Atom_Count	0
15004699	Structure_Complexity	82.6
6433083	Undefined_Bond_Stereo_Count	0
5353800	Hydrogen_Bond_Donor_Count	0
398558	Defined_Atom_Stereo_Count	2
135665263	Undefined_Atom_Stereo_Count	0
5391	Defined_Bond_Stereo_Count	0
53630039	Molecular_Weight	90.08
129826870	Defined_Bond_Stereo_Count	0
86711	Tautomer_Count	1
141	Non-hydrogen_Atom_Count	34
95578	Non-hydrogen_Atom_Count	10
402827	Structure_Complexity	932
93502	Rotatable_Bond_Count	4
53259022	Non-hydrogen_Atom_Count	38
90658124	Mono_Isotopic_Weight	1297.75736887
56682313	Rotatable_Bond_Count	3
12124007	Defined_Bond_Stereo_Count	0
20774105	Defined_Bond_Stereo_Count	0
720637	Isotope_Atom_Count	0
10161315	XLogP3-AA	4.5
94297	Hydrogen_Bond_Donor_Count	0
130443213	Covalent_Unit_Count	1
58079819	Hydrogen_Bond_Donor_Count	1
170993	Hydrogen_Bond_Donor_Count	0
72999858	Mono_Isotopic_Weight	458.30322444
155491161	TPSA	68.6
53316418	Isotope_Atom_Count	0
1072	Hydrogen_Bond_Donor_Count	5
44864	Defined_Atom_Stereo_Count	0
138059664	Isotope_Atom_Count	0
11768551	Exact_Mass	116.083729621
22061626	Non-hydrogen_Atom_Count	8
123683	Rotatable_Bond_Count	5
155977984	Hydrogen_Bond_Acceptor_Count	1
9828626	XLogP3	13.5
102600809	Hydrogen_Bond_Donor_Count	6
65493	Defined_Atom_Stereo_Count	0
21917310	Undefined_Bond_Stereo_Count	0
6591	Covalent_Unit_Count	1
57503849	Molecular_Weight	1261.4
11073351	Hydrogen_Bond_Donor_Count	0
49869173	Undefined_Bond_Stereo_Count	0
139075087	Undefined_Bond_Stereo_Count	0
57079767	Undefined_Bond_Stereo_Count	0
139307343	Hydrogen_Bond_Acceptor_Count	3
71751164	Undefined_Bond_Stereo_Count	0
13586830	Undefined_Atom_Stereo_Count	0
14523483	Undefined_Atom_Stereo_Count	0
44251266	Undefined_Bond_Stereo_Count	0
9661	Structure_Complexity	233
656917	Defined_Bond_Stereo_Count	0
54311720	Rotatable_Bond_Count	1
81574	Covalent_Unit_Count	1
11786594	Mono_Isotopic_Weight	583.23522170
4217966	Undefined_Atom_Stereo_Count	1
23163355	Hydrogen_Bond_Acceptor_Count	3
15522	Rotatable_Bond_Count	2
253881	Tautomer_Count	1
12921774	Covalent_Unit_Count	1
177843	Molecular_Weight	404.1
14	Isotope_Atom_Count	0
23674496	Covalent_Unit_Count	2
