11228650	Covalent_Unit_Count	1
135988	Undefined_Atom_Stereo_Count	0
14794988	Molecular_Weight	111.15
16221343	Total_Formal_Charge	0
14202705	Non-hydrogen_Atom_Count	8
60695	Molecular_Weight	609.7
130122746	Non-hydrogen_Atom_Count	8
55300295	TPSA	29.1
1211493	Hydrogen_Bond_Acceptor_Count	3
37678	Total_Formal_Charge	0
12817963	Rotatable_Bond_Count	0
18102	Rotatable_Bond_Count	1
10772953	Non-hydrogen_Atom_Count	8
12754	Total_Formal_Charge	0
97383	Exact_Mass	208.9713554
131872	Hydrogen_Bond_Donor_Count	1
13134	Rotatable_Bond_Count	2
70447154	Total_Formal_Charge	0
776222	Undefined_Atom_Stereo_Count	0
18329011	Undefined_Bond_Stereo_Count	0
76755	Hydrogen_Bond_Donor_Count	0
1381	TPSA	74.2
14320623	XLogP3-AA	2
10034581	XLogP3-AA	0.9
73851	Non-hydrogen_Atom_Count	16
439184	Undefined_Bond_Stereo_Count	0
1017	Total_Formal_Charge	0
57048209	TPSA	20.2
644241	Hydrogen_Bond_Donor_Count	2
53883934	Isotope_Atom_Count	0
89875063	Total_Formal_Charge	0
58223476	Defined_Bond_Stereo_Count	0
59	Isotope_Atom_Count	0
70677682	Non-hydrogen_Atom_Count	30
7204	Mono_Isotopic_Weight	200.0240218
1097	Covalent_Unit_Count	1
23624131	Isotope_Atom_Count	0
5368396	Tautomer_Count	1
46916	Rotatable_Bond_Count	5
5489013	Tautomer_Count	2
11198850	Non-hydrogen_Atom_Count	27
3363	Undefined_Atom_Stereo_Count	3
44454985	Hydrogen_Bond_Acceptor_Count	11
10454	Undefined_Atom_Stereo_Count	0
14578458	Non-hydrogen_Atom_Count	7
92822	TPSA	49.7
141169622	Mono_Isotopic_Weight	101.047678466
94314	TPSA	50.6
151419	Non-hydrogen_Atom_Count	19
17407	Undefined_Bond_Stereo_Count	0
125556	Tautomer_Count	4
4714721	Total_Formal_Charge	0
85065	Undefined_Bond_Stereo_Count	0
12942137	Non-hydrogen_Atom_Count	21
9971	Covalent_Unit_Count	1
6436138	Mono_Isotopic_Weight	424.0938327
13757192	Undefined_Atom_Stereo_Count	1
17239	Covalent_Unit_Count	1
57470525	Exact_Mass	112.088815002
506015	TPSA	122
152743428	Undefined_Atom_Stereo_Count	0
135492	Covalent_Unit_Count	1
6552009	Molecular_Weight	154.25
85944	Non-hydrogen_Atom_Count	11
6444834	Defined_Bond_Stereo_Count	2
23525993	Hydrogen_Bond_Donor_Count	1
535823	Rotatable_Bond_Count	1
519207	Exact_Mass	283.157228913
123875607	Isotope_Atom_Count	0
59704100	Mono_Isotopic_Weight	116.083729621
41574	Hydrogen_Bond_Acceptor_Count	5
5352438	Structure_Complexity	139
24014	Undefined_Atom_Stereo_Count	0
57641	Defined_Bond_Stereo_Count	0
7067772	Rotatable_Bond_Count	2
11355455	Hydrogen_Bond_Donor_Count	0
71242808	TPSA	52.6
839	TPSA	121
12319472	Molecular_Weight	277.16
102258	Covalent_Unit_Count	1
22704	Covalent_Unit_Count	1
44395051	Hydrogen_Bond_Donor_Count	2
7922	Total_Formal_Charge	0
170832	Undefined_Bond_Stereo_Count	0
13285795	Molecular_Weight	85.10
7809	Hydrogen_Bond_Acceptor_Count	0
57484	Molecular_Weight	415.5
20759	Exact_Mass	150.068079557
657	XLogP3-AA	5.3
18387020	Mono_Isotopic_Weight	115.099714038
630	Non-hydrogen_Atom_Count	13
174042	XLogP3-AA	39.9
138506	Isotope_Atom_Count	0
69963	Tautomer_Count	1
3035914	Total_Formal_Charge	0
3521	Total_Formal_Charge	0
135436543	XLogP3	1.6
12369	Total_Formal_Charge	0
242436	Structure_Complexity	487
2775	Rotatable_Bond_Count	2
161988362	Exact_Mass	112.088815002
89629295	Hydrogen_Bond_Acceptor_Count	2
11589453	Rotatable_Bond_Count	5
84393	TPSA	25.3
101059324	XLogP3-AA	6.1
17776820	Defined_Bond_Stereo_Count	0
11063784	Hydrogen_Bond_Acceptor_Count	5
163317	Molecular_Weight	218.25
18555	Tautomer_Count	1
6720	Molecular_Weight	295.3
20217132	Molecular_Weight	85.15
61900360	Undefined_Bond_Stereo_Count	0
3032910	TPSA	63.6
12170	Molecular_Weight	140.14
6424	Hydrogen_Bond_Acceptor_Count	1
3452	Tautomer_Count	1
5311236	Hydrogen_Bond_Donor_Count	3
155042170	Covalent_Unit_Count	1
35726	Molecular_Weight	350.3
9827982	Molecular_Weight	518.9
182645	Tautomer_Count	1
3045406	Molecular_Weight	317.9
25217563	TPSA	70.7
6999971	Undefined_Bond_Stereo_Count	0
13326679	Hydrogen_Bond_Donor_Count	1
40933	TPSA	42.2
1781	Total_Formal_Charge	0
65575055	Non-hydrogen_Atom_Count	8
30292	TPSA	30.7
830713	TPSA	63.8
5362460	Covalent_Unit_Count	1
25242	Mono_Isotopic_Weight	53.00770536
541675	Total_Formal_Charge	0
4285	XLogP3-AA	6.3
65489	Isotope_Atom_Count	0
516	Structure_Complexity	388
207292	Hydrogen_Bond_Acceptor_Count	1
119476	Tautomer_Count	1
33295	XLogP3-AA	2
650625	Hydrogen_Bond_Donor_Count	1
72200930	TPSA	83.8
130537941	Rotatable_Bond_Count	4
227456	Defined_Atom_Stereo_Count	0
6163	Molecular_Weight	154.19
25144864	Non-hydrogen_Atom_Count	78
7405	TPSA	66.4
7939	TPSA	51.8
284161	Undefined_Bond_Stereo_Count	0
14708	Mono_Isotopic_Weight	330.230728204
60569	Non-hydrogen_Atom_Count	18
6991	Structure_Complexity	153
28114	Mono_Isotopic_Weight	110.048012819
129680429	Non-hydrogen_Atom_Count	21
13652	Hydrogen_Bond_Donor_Count	0
10766	Undefined_Atom_Stereo_Count	1
118984450	Molecular_Weight	5808
6519	Total_Formal_Charge	0
71616	Undefined_Bond_Stereo_Count	0
68016	Tautomer_Count	1
17045	Hydrogen_Bond_Donor_Count	1
15570	Rotatable_Bond_Count	0
716121	Mono_Isotopic_Weight	274.1236763
162652	Tautomer_Count	1
5748551	Hydrogen_Bond_Donor_Count	2
134820051	Undefined_Bond_Stereo_Count	0
41743	Rotatable_Bond_Count	2
120269	Structure_Complexity	50.9
129628281	Hydrogen_Bond_Acceptor_Count	26
6930	Undefined_Atom_Stereo_Count	0
47660	Non-hydrogen_Atom_Count	24
2654	Undefined_Bond_Stereo_Count	1
5289590	Isotope_Atom_Count	0
67271	Undefined_Atom_Stereo_Count	0
652	Defined_Bond_Stereo_Count	0
24949247	Molecular_Weight	385.3
23721821	Hydrogen_Bond_Acceptor_Count	9
66141	Rotatable_Bond_Count	1
57399426	Rotatable_Bond_Count	7
598760	Hydrogen_Bond_Donor_Count	0
7401	Defined_Atom_Stereo_Count	0
85360	Total_Formal_Charge	0
72165188	Defined_Bond_Stereo_Count	0
89578803	XLogP3-AA	1.5
79178156	TPSA	37.3
69270	TPSA	46.3
18397995	Molecular_Weight	645.6
53796209	Exact_Mass	102.068079557
909750	Undefined_Atom_Stereo_Count	0
102293	Defined_Atom_Stereo_Count	0
12303662	Hydrogen_Bond_Donor_Count	1
435360	Rotatable_Bond_Count	1
141814359	Total_Formal_Charge	0
448055	Hydrogen_Bond_Donor_Count	1
16739648	Non-hydrogen_Atom_Count	24
3045225	Mono_Isotopic_Weight	243.137162174
24268	Non-hydrogen_Atom_Count	5
287064	Defined_Atom_Stereo_Count	0
398678	Exact_Mass	425.1405288
126969105	Undefined_Atom_Stereo_Count	0
20690188	XLogP3-AA	2
135409438	Mono_Isotopic_Weight	289.05760550
183559	Undefined_Atom_Stereo_Count	0
72462	Hydrogen_Bond_Acceptor_Count	6
810229	Non-hydrogen_Atom_Count	23
11768551	TPSA	37.3
12069	Molecular_Weight	211.13
101033892	Covalent_Unit_Count	1
11804701	Defined_Bond_Stereo_Count	0
286595	Non-hydrogen_Atom_Count	9
17159	Tautomer_Count	1
11546350	Total_Formal_Charge	0
98559	Non-hydrogen_Atom_Count	21
2417	Defined_Atom_Stereo_Count	0
908617	Undefined_Bond_Stereo_Count	0
13610389	Rotatable_Bond_Count	0
27967	Defined_Atom_Stereo_Count	0
3024461	Rotatable_Bond_Count	5
20200448	Defined_Bond_Stereo_Count	0
71544786	Total_Formal_Charge	0
135564985	Molecular_Weight	364.4
78596	Defined_Bond_Stereo_Count	0
56765705	XLogP3-AA	0.1
69671	Total_Formal_Charge	0
13204	Structure_Complexity	98.7
39175	Undefined_Bond_Stereo_Count	0
66634681	Rotatable_Bond_Count	1
12254	Non-hydrogen_Atom_Count	6
5350	Hydrogen_Bond_Donor_Count	0
79865794	Rotatable_Bond_Count	0
67771108	Defined_Atom_Stereo_Count	0
11105655	Hydrogen_Bond_Acceptor_Count	2
71345	Structure_Complexity	446
545963	Rotatable_Bond_Count	53
68187620	Defined_Bond_Stereo_Count	0
10820489	Hydrogen_Bond_Donor_Count	1
12755	Exact_Mass	109.052763847
57587000	Structure_Complexity	84.5
53465	Undefined_Atom_Stereo_Count	0
32307	Hydrogen_Bond_Donor_Count	1
21685	Undefined_Atom_Stereo_Count	2
44571147	XLogP3-AA	3.4
5497123	Structure_Complexity	345
5748846	Molecular_Weight	523.6
96809	Isotope_Atom_Count	0
16131448	Mono_Isotopic_Weight	1807.98054885
19266	Isotope_Atom_Count	0
2524	Hydrogen_Bond_Donor_Count	3
5311037	XLogP3-AA	2.5
99894	Defined_Bond_Stereo_Count	0
540987	Defined_Bond_Stereo_Count	0
119097554	Hydrogen_Bond_Acceptor_Count	1
66615270	Isotope_Atom_Count	0
86062	Isotope_Atom_Count	0
54583840	Total_Formal_Charge	0
28292	Structure_Complexity	276
21832123	Structure_Complexity	30.1
6708773	Hydrogen_Bond_Acceptor_Count	4
415984	Covalent_Unit_Count	1
45790066	Covalent_Unit_Count	4
24833843	Undefined_Bond_Stereo_Count	0
5360621	Exact_Mass	461.16858144
16375	XLogP3	0.3
3995	Structure_Complexity	320
3000926	Exact_Mass	335.0746777
135423095	Non-hydrogen_Atom_Count	28
6914605	Defined_Bond_Stereo_Count	0
5314562	Covalent_Unit_Count	1
226	Molecular_Weight	79.038
66879	XLogP3-AA	1.8
73361	Total_Formal_Charge	0
84130	Rotatable_Bond_Count	6
16069302	Mono_Isotopic_Weight	439.20082506
53322382	Defined_Bond_Stereo_Count	0
85445	Molecular_Weight	214.64
97390	Rotatable_Bond_Count	0
61109	Covalent_Unit_Count	1
61672	Undefined_Bond_Stereo_Count	0
12507	Isotope_Atom_Count	0
45267632	Non-hydrogen_Atom_Count	33
23687810	Covalent_Unit_Count	2
13772685	Covalent_Unit_Count	1
21026	Isotope_Atom_Count	0
67005	TPSA	91.6
12858475	Defined_Bond_Stereo_Count	0
3045380	Total_Formal_Charge	0
10964417	Total_Formal_Charge	0
125127451	Defined_Bond_Stereo_Count	5
158800	Undefined_Atom_Stereo_Count	0
71587637	Isotope_Atom_Count	1
7818	Structure_Complexity	54.9
21321822	TPSA	6.5
161562	Exact_Mass	394.13266896
74652199	Structure_Complexity	215
63022	Rotatable_Bond_Count	3
12255457	Hydrogen_Bond_Donor_Count	0
59154995	Undefined_Bond_Stereo_Count	0
90558	Exact_Mass	144.04225873
10276962	XLogP3-AA	4.3
11029807	Covalent_Unit_Count	1
59867303	Exact_Mass	112.063662883
83053	Non-hydrogen_Atom_Count	15
10349	Undefined_Bond_Stereo_Count	0
444097	Exact_Mass	616.177291
15981323	Structure_Complexity	557
57336812	Rotatable_Bond_Count	5
5738	Hydrogen_Bond_Acceptor_Count	7
13950368	Rotatable_Bond_Count	3
14974	Molecular_Weight	867.0
135546352	TPSA	50.7
4211	Covalent_Unit_Count	1
68648	Molecular_Weight	292.4
731747	Total_Formal_Charge	0
57284788	Total_Formal_Charge	0
60574	Rotatable_Bond_Count	5
36663	Isotope_Atom_Count	0
6918651	Undefined_Atom_Stereo_Count	0
8223	Hydrogen_Bond_Donor_Count	3
12750169	Undefined_Atom_Stereo_Count	0
10582552	Isotope_Atom_Count	0
816	Rotatable_Bond_Count	6
16767478	TPSA	37.8
5353593	Undefined_Atom_Stereo_Count	0
23695982	Rotatable_Bond_Count	1
227085	Covalent_Unit_Count	1
23952	Structure_Complexity	0
6918483	Hydrogen_Bond_Acceptor_Count	5
5791	Exact_Mass	275.1288213
5475158	Defined_Atom_Stereo_Count	0
25724	Hydrogen_Bond_Acceptor_Count	3
33477	Structure_Complexity	774
5280493	Undefined_Atom_Stereo_Count	0
84571	Non-hydrogen_Atom_Count	23
2647	Defined_Atom_Stereo_Count	0
5480	Hydrogen_Bond_Donor_Count	1
118210311	Mono_Isotopic_Weight	110.011627311
9081	Non-hydrogen_Atom_Count	10
6539304	Isotope_Atom_Count	0
669846	Undefined_Atom_Stereo_Count	0
37248	Mono_Isotopic_Weight	289.922361
3036656	Rotatable_Bond_Count	7
8883	Hydrogen_Bond_Donor_Count	2
6419725	Molecular_Weight	536.9
71076901	Undefined_Bond_Stereo_Count	0
122214397	Exact_Mass	532.97501113
87964902	XLogP3-AA	2.3
969108	Undefined_Bond_Stereo_Count	0
44760	Exact_Mass	450.1743917
129794671	Defined_Atom_Stereo_Count	0
66602654	Non-hydrogen_Atom_Count	8
468076	Undefined_Bond_Stereo_Count	0
102891	Isotope_Atom_Count	0
155288862	Covalent_Unit_Count	2
13408391	XLogP3-AA	3.3
14510	Undefined_Atom_Stereo_Count	0
89125265	Structure_Complexity	153
68547	Defined_Atom_Stereo_Count	0
14013	Isotope_Atom_Count	0
42108	Undefined_Bond_Stereo_Count	0
151115	Defined_Bond_Stereo_Count	0
15348	Defined_Bond_Stereo_Count	0
11957654	Isotope_Atom_Count	0
914	TPSA	65.1
107715	Non-hydrogen_Atom_Count	45
3874	TPSA	188
556684	Undefined_Atom_Stereo_Count	0
15702065	Exact_Mass	114.068079557
10034991	Total_Formal_Charge	0
4075158	Structure_Complexity	149
19823	Non-hydrogen_Atom_Count	33
6866	Defined_Bond_Stereo_Count	0
107670	Structure_Complexity	1030
135887820	Mono_Isotopic_Weight	876.45207349
442348	Structure_Complexity	323
5359272	Hydrogen_Bond_Donor_Count	1
71256	Hydrogen_Bond_Acceptor_Count	14
657210	Exact_Mass	203.0713064
2752638	Hydrogen_Bond_Donor_Count	2
49862689	Total_Formal_Charge	0
23729877	Defined_Atom_Stereo_Count	0
129627254	Non-hydrogen_Atom_Count	45
12892799	TPSA	0
10437166	Undefined_Bond_Stereo_Count	0
124514	Rotatable_Bond_Count	3
11061169	Hydrogen_Bond_Acceptor_Count	5
456161	Rotatable_Bond_Count	9
1028	Covalent_Unit_Count	1
23268532	Defined_Bond_Stereo_Count	0
123840004	Isotope_Atom_Count	0
11952	Undefined_Bond_Stereo_Count	0
29656	XLogP3-AA	1.7
428745	Rotatable_Bond_Count	0
10255142	Undefined_Atom_Stereo_Count	0
80971	Hydrogen_Bond_Acceptor_Count	3
1284234	Structure_Complexity	223
49985	Tautomer_Count	1
53873	Hydrogen_Bond_Acceptor_Count	2
1918	Mono_Isotopic_Weight	814.18368448
87481476	Defined_Atom_Stereo_Count	0
541661	Mono_Isotopic_Weight	129.98369848
75654	Undefined_Bond_Stereo_Count	0
133109198	Structure_Complexity	1150
18922	Rotatable_Bond_Count	0
56972665	Hydrogen_Bond_Donor_Count	0
91886115	Structure_Complexity	469
12407016	Rotatable_Bond_Count	0
3964633	Rotatable_Bond_Count	4
540877	Isotope_Atom_Count	0
11414	XLogP3	3.6
33133	Hydrogen_Bond_Acceptor_Count	4
53235510	TPSA	95.1
132327702	Non-hydrogen_Atom_Count	8
17977495	Molecular_Weight	92.03
129866213	Exact_Mass	502.18282
3058751	Rotatable_Bond_Count	5
46201499	Non-hydrogen_Atom_Count	11
12245073	Structure_Complexity	62.7
155882889	Hydrogen_Bond_Donor_Count	0
22524140	Molecular_Weight	905.0
6917789	Isotope_Atom_Count	0
11281011	Undefined_Bond_Stereo_Count	0
20295235	Covalent_Unit_Count	1
14241402	Undefined_Bond_Stereo_Count	0
57303454	Molecular_Weight	94.11
10288	XLogP3-AA	4.3
3033825	Tautomer_Count	9
25203153	Defined_Atom_Stereo_Count	0
129803162	Undefined_Atom_Stereo_Count	1
8018	Total_Formal_Charge	0
12336279	Defined_Atom_Stereo_Count	0
12314962	Undefined_Atom_Stereo_Count	9
91984	Molecular_Weight	191.31
48199	Isotope_Atom_Count	0
1284234	Undefined_Atom_Stereo_Count	0
55582	Defined_Atom_Stereo_Count	0
11852	Defined_Bond_Stereo_Count	0
60196431	Defined_Atom_Stereo_Count	0
135449518	Undefined_Bond_Stereo_Count	0
7409	Isotope_Atom_Count	0
133119249	Non-hydrogen_Atom_Count	12
521324	Mono_Isotopic_Weight	101.084063974
69465	Defined_Atom_Stereo_Count	0
22575031	Molecular_Weight	114.10
16052039	Undefined_Bond_Stereo_Count	0
16667738	Rotatable_Bond_Count	11
13019068	Mono_Isotopic_Weight	416.32904526
13095	Defined_Bond_Stereo_Count	0
102402827	Defined_Atom_Stereo_Count	9
253350	Isotope_Atom_Count	0
14453671	Covalent_Unit_Count	1
71587119	Structure_Complexity	165
5462309	Defined_Atom_Stereo_Count	0
196651	Non-hydrogen_Atom_Count	19
22882	Molecular_Weight	400.0
12686	Undefined_Bond_Stereo_Count	0
10350317	Defined_Bond_Stereo_Count	2
10460376	Structure_Complexity	1060
14880677	Molecular_Weight	113.16
108199	Hydrogen_Bond_Acceptor_Count	3
135400184	Exact_Mass	284.07318219
38382	Tautomer_Count	1
21798491	Mono_Isotopic_Weight	114.079312947
21885122	Rotatable_Bond_Count	4
129316724	Mono_Isotopic_Weight	327.202608250
22062700	Mono_Isotopic_Weight	101.084063974
63958	Isotope_Atom_Count	0
61511	Hydrogen_Bond_Acceptor_Count	6
7656	Undefined_Bond_Stereo_Count	0
5487426	Undefined_Atom_Stereo_Count	0
20262675	Structure_Complexity	131
3134	Isotope_Atom_Count	0
64805	Hydrogen_Bond_Acceptor_Count	3
12309521	Exact_Mass	324.183778013
75091	Defined_Bond_Stereo_Count	0
136364887	Molecular_Weight	112.09
45356890	Covalent_Unit_Count	1
6424	Isotope_Atom_Count	0
110821	Rotatable_Bond_Count	5
6999801	Covalent_Unit_Count	1
118513932	XLogP3-AA	0.5
45117195	Isotope_Atom_Count	0
23506294	Undefined_Atom_Stereo_Count	1
6438372	Defined_Atom_Stereo_Count	1
66359	Non-hydrogen_Atom_Count	23
13249050	Undefined_Atom_Stereo_Count	0
16212088	Defined_Atom_Stereo_Count	0
345367	Non-hydrogen_Atom_Count	8
10061	Non-hydrogen_Atom_Count	28
71437196	Exact_Mass	470.19162313
9662	Molecular_Weight	98.48
61968	Hydrogen_Bond_Donor_Count	1
10391	Rotatable_Bond_Count	4
628889	Isotope_Atom_Count	0
20483578	Molecular_Weight	112.13
71584419	Rotatable_Bond_Count	5
12907914	Rotatable_Bond_Count	0
15575641	TPSA	41.6
133082588	Rotatable_Bond_Count	4
4026	Rotatable_Bond_Count	9
24848321	Exact_Mass	289.227988553
533920	Mono_Isotopic_Weight	99.068413911
140808	TPSA	38.7
71072034	Molecular_Weight	491.4
5323977	Non-hydrogen_Atom_Count	8
94715	Rotatable_Bond_Count	1
129801132	Molecular_Weight	138.09
132980806	Exact_Mass	1354.567399
9892122	Hydrogen_Bond_Acceptor_Count	9
22178808	Isotope_Atom_Count	0
81079	Molecular_Weight	138.55
689750	Mono_Isotopic_Weight	232.06703418
2135	XLogP3-AA	1.5
53904133	XLogP3-AA	0.2
14804	Covalent_Unit_Count	3
21718278	Exact_Mass	111.079647300
72786882	Structure_Complexity	395
7685	Hydrogen_Bond_Acceptor_Count	2
28858	Undefined_Bond_Stereo_Count	0
8534	Non-hydrogen_Atom_Count	22
3032	Covalent_Unit_Count	1
44033	Exact_Mass	367.1081396
6328144	Undefined_Bond_Stereo_Count	0
19757496	Defined_Atom_Stereo_Count	0
443041	Exact_Mass	324.98845
70122	Undefined_Atom_Stereo_Count	0
592	Hydrogen_Bond_Donor_Count	9
415868	Non-hydrogen_Atom_Count	25
54267	Hydrogen_Bond_Donor_Count	0
22198	TPSA	29.3
11170931	Undefined_Bond_Stereo_Count	0
32836	Exact_Mass	291.859703
192857	Covalent_Unit_Count	2
11965427	Covalent_Unit_Count	1
6652	Undefined_Atom_Stereo_Count	1
6880	Mono_Isotopic_Weight	182.05790880
17864302	Undefined_Atom_Stereo_Count	0
5986	Hydrogen_Bond_Donor_Count	1
21221120	Covalent_Unit_Count	1
7288	Mono_Isotopic_Weight	86.073164938
84614	Defined_Bond_Stereo_Count	0
784	Non-hydrogen_Atom_Count	2
518733	Hydrogen_Bond_Donor_Count	1
52905	Undefined_Atom_Stereo_Count	0
56949747	Rotatable_Bond_Count	3
4369325	Defined_Atom_Stereo_Count	0
139150	XLogP3-AA	1.6
17071	Covalent_Unit_Count	1
439231	Tautomer_Count	4
3034287	Mono_Isotopic_Weight	270.0883534
11969781	TPSA	202
6427079	Total_Formal_Charge	0
21585056	Hydrogen_Bond_Acceptor_Count	2
33845	Non-hydrogen_Atom_Count	21
140920	TPSA	53.2
3090044	Non-hydrogen_Atom_Count	14
10457598	Non-hydrogen_Atom_Count	32
156615	Tautomer_Count	2
7777	Rotatable_Bond_Count	6
8085	Covalent_Unit_Count	1
158693	Mono_Isotopic_Weight	168.078644241
10638	Undefined_Atom_Stereo_Count	0
58604354	Undefined_Bond_Stereo_Count	0
90057933	Total_Formal_Charge	0
262612	TPSA	37.3
232592	Hydrogen_Bond_Acceptor_Count	3
87157524	Hydrogen_Bond_Acceptor_Count	4
107647	Molecular_Weight	210.11
5280450	Mono_Isotopic_Weight	280.240230259
54054905	Hydrogen_Bond_Donor_Count	2
39356	Defined_Bond_Stereo_Count	0
52948146	Hydrogen_Bond_Donor_Count	1
53749742	Defined_Atom_Stereo_Count	0
11647372	Undefined_Atom_Stereo_Count	0
12409173	Covalent_Unit_Count	1
69245	Tautomer_Count	1
5877292	Molecular_Weight	190.24
66509091	Covalent_Unit_Count	1
12622744	Undefined_Bond_Stereo_Count	0
21680	Tautomer_Count	1
49866023	Undefined_Atom_Stereo_Count	0
135423375	XLogP3-AA	2.6
3595299	Defined_Bond_Stereo_Count	0
57190391	Hydrogen_Bond_Donor_Count	0
22138130	Mono_Isotopic_Weight	116.083729621
88483174	Rotatable_Bond_Count	3
145458139	Exact_Mass	348.20088463
15789	Hydrogen_Bond_Donor_Count	4
12082850	Total_Formal_Charge	0
60904070	Isotope_Atom_Count	0
7015191	Hydrogen_Bond_Acceptor_Count	2
27561	Defined_Bond_Stereo_Count	0
12681848	Isotope_Atom_Count	0
135140866	Hydrogen_Bond_Acceptor_Count	2
86322	Molecular_Weight	167.20
443040	Defined_Bond_Stereo_Count	0
36218	Total_Formal_Charge	0
71895	Defined_Bond_Stereo_Count	0
83904773	Undefined_Atom_Stereo_Count	3
24250	Hydrogen_Bond_Acceptor_Count	2
5238474	Non-hydrogen_Atom_Count	20
233240	Molecular_Weight	162.15
69189	TPSA	63.3
400185	Hydrogen_Bond_Donor_Count	2
82441	Structure_Complexity	385
72200939	Undefined_Atom_Stereo_Count	0
44392167	Non-hydrogen_Atom_Count	37
85689	Undefined_Atom_Stereo_Count	2
53993017	Mono_Isotopic_Weight	196.146329876
9859692	Defined_Atom_Stereo_Count	0
23677927	TPSA	65.6
2533	Molecular_Weight	790.8
21464101	Molecular_Weight	99.13
10457387	Undefined_Bond_Stereo_Count	0
75498	Defined_Bond_Stereo_Count	0
16051941	Hydrogen_Bond_Acceptor_Count	23
10297818	Covalent_Unit_Count	1
66586067	Covalent_Unit_Count	2
45085104	Defined_Atom_Stereo_Count	0
21658180	Isotope_Atom_Count	0
11707110	Rotatable_Bond_Count	5
129696858	Defined_Bond_Stereo_Count	0
78490	Hydrogen_Bond_Donor_Count	0
10044792	Hydrogen_Bond_Acceptor_Count	6
535	Undefined_Atom_Stereo_Count	0
67060	Hydrogen_Bond_Acceptor_Count	5
55400	XLogP3-AA	8.6
156212	Covalent_Unit_Count	1
2723854	Structure_Complexity	877
5487888	Mono_Isotopic_Weight	397.05146094
77	Covalent_Unit_Count	1
63085159	XLogP3-AA	0.5
8262	Defined_Atom_Stereo_Count	0
524667	XLogP3-AA	3.8
200164	Isotope_Atom_Count	0
17799404	Defined_Bond_Stereo_Count	0
53167	Exact_Mass	100.100048391
5357155	Isotope_Atom_Count	0
57349791	Total_Formal_Charge	0
112711235	Mono_Isotopic_Weight	113.058911855
70695634	Structure_Complexity	574
14044	Mono_Isotopic_Weight	115.063328530
11051814	Structure_Complexity	116
97171	Undefined_Bond_Stereo_Count	0
534120	Rotatable_Bond_Count	0
123322483	TPSA	47.6
96412	Non-hydrogen_Atom_Count	6
153380590	XLogP3-AA	1.1
9578243	Defined_Atom_Stereo_Count	0
74233	TPSA	20.2
19897050	Exact_Mass	114.068079557
130121992	Defined_Atom_Stereo_Count	0
91464	Covalent_Unit_Count	1
123271707	Undefined_Atom_Stereo_Count	5
120393	XLogP3	2.8
12842600	Rotatable_Bond_Count	2
11957590	Hydrogen_Bond_Donor_Count	3
54556023	Molecular_Weight	113.16
56679083	Undefined_Atom_Stereo_Count	0
4496	Structure_Complexity	480
192988	Defined_Bond_Stereo_Count	0
1524	Defined_Bond_Stereo_Count	0
54595803	Undefined_Bond_Stereo_Count	0
11111992	Covalent_Unit_Count	1
3692772	Structure_Complexity	171
10176084	Isotope_Atom_Count	0
136059	Rotatable_Bond_Count	0
23642301	Total_Formal_Charge	0
7881	Defined_Atom_Stereo_Count	0
909750	Molecular_Weight	341.4
57370827	Molecular_Weight	112.08
56520	Hydrogen_Bond_Acceptor_Count	3
11137101	Exact_Mass	99.068413911
521300	Non-hydrogen_Atom_Count	6
228289	Hydrogen_Bond_Donor_Count	0
7976	Mono_Isotopic_Weight	94.053098200
57406717	Total_Formal_Charge	0
448011	Undefined_Bond_Stereo_Count	0
22956467	Total_Formal_Charge	2
11083859	Non-hydrogen_Atom_Count	8
18397995	Structure_Complexity	962
522946	Undefined_Atom_Stereo_Count	0
12363650	Molecular_Weight	115.09
9863303	Rotatable_Bond_Count	4
86100	Defined_Bond_Stereo_Count	0
3844264	TPSA	126
363	Non-hydrogen_Atom_Count	4
9789	Undefined_Bond_Stereo_Count	0
40566100	Defined_Bond_Stereo_Count	0
519	Rotatable_Bond_Count	7
15606	Defined_Atom_Stereo_Count	0
115011049	Undefined_Bond_Stereo_Count	0
54006055	Defined_Bond_Stereo_Count	0
60202105	Molecular_Weight	461.5
182585	Non-hydrogen_Atom_Count	28
57750391	Undefined_Bond_Stereo_Count	0
9281	Exact_Mass	816.1726841
6989253	Total_Formal_Charge	0
9793926	Undefined_Atom_Stereo_Count	0
6918123	Hydrogen_Bond_Donor_Count	3
20639618	Undefined_Atom_Stereo_Count	0
71459864	Rotatable_Bond_Count	18
55289386	Covalent_Unit_Count	1
5289159	Molecular_Weight	305.4
6432744	Non-hydrogen_Atom_Count	30
19778484	Molecular_Weight	112.13
56638112	XLogP3-AA	2.9
5283547	Undefined_Bond_Stereo_Count	0
3730	Structure_Complexity	653
551174	Total_Formal_Charge	0
4376	Isotope_Atom_Count	0
2005	Structure_Complexity	156
589409	Hydrogen_Bond_Acceptor_Count	7
189914	Exact_Mass	450.23257867
15032	Total_Formal_Charge	0
315201	Molecular_Weight	112.13
78031	TPSA	94.9
23694213	Defined_Atom_Stereo_Count	3
82953	Exact_Mass	268.019149
7098664	Undefined_Bond_Stereo_Count	0
20055082	Structure_Complexity	1230
15787851	Total_Formal_Charge	0
321	Defined_Bond_Stereo_Count	0
11078	Exact_Mass	330.1710204
21863	Undefined_Bond_Stereo_Count	0
117822	Undefined_Atom_Stereo_Count	0
74080	Molecular_Weight	106.13
6918025	Molecular_Weight	1191.4
9330	Covalent_Unit_Count	1
53145	Defined_Bond_Stereo_Count	0
7261	XLogP3	0.1
24826	Covalent_Unit_Count	5
135554441	Isotope_Atom_Count	0
6626	Structure_Complexity	302
141282030	Undefined_Bond_Stereo_Count	0
46782362	Exact_Mass	446.13339966
185902	Hydrogen_Bond_Acceptor_Count	6
19385647	Total_Formal_Charge	0
5241	Total_Formal_Charge	0
89716251	Exact_Mass	113.084063974
3384	Total_Formal_Charge	0
11954292	Rotatable_Bond_Count	28
47703	Isotope_Atom_Count	0
10979	Covalent_Unit_Count	1
24027	Molecular_Weight	378.3
98442	Hydrogen_Bond_Donor_Count	0
21080	Rotatable_Bond_Count	4
11972532	XLogP3-AA	2.3
5310987	Defined_Bond_Stereo_Count	1
21583	Defined_Atom_Stereo_Count	0
72200721	Undefined_Bond_Stereo_Count	0
16732167	Rotatable_Bond_Count	2
71451929	Defined_Atom_Stereo_Count	2
4350929	Tautomer_Count	1
52936034	TPSA	75.7
17321	XLogP3	5.2
15942713	Non-hydrogen_Atom_Count	33
222786	Tautomer_Count	45
3219590	Hydrogen_Bond_Acceptor_Count	5
143562	Molecular_Weight	115.13
30318	Defined_Atom_Stereo_Count	0
7059596	Undefined_Atom_Stereo_Count	0
533427	Molecular_Weight	92.10
55362	Defined_Bond_Stereo_Count	0
89886	Exact_Mass	572.13804064
92058	Total_Formal_Charge	0
134692352	Isotope_Atom_Count	0
445319	Exact_Mass	118.05646950
16154490	Structure_Complexity	3940
121285115	Isotope_Atom_Count	0
36324	Exact_Mass	293.189197746
173411	Defined_Atom_Stereo_Count	0
157903531	Mono_Isotopic_Weight	99.068413911
53846427	Molecular_Weight	416.6
13272656	Isotope_Atom_Count	0
211202	Defined_Atom_Stereo_Count	0
23696271	Hydrogen_Bond_Acceptor_Count	5
35801	TPSA	0
58655	Structure_Complexity	212
65987055	Non-hydrogen_Atom_Count	7
20483595	Isotope_Atom_Count	0
56972160	Undefined_Bond_Stereo_Count	0
448013	Hydrogen_Bond_Acceptor_Count	8
132469488	Structure_Complexity	1220
3003791	Rotatable_Bond_Count	2
23000709	TPSA	64.9
5364420	Defined_Bond_Stereo_Count	1
6422232	Defined_Bond_Stereo_Count	0
135436543	Mono_Isotopic_Weight	204.089877630
17118	TPSA	58
805985	Total_Formal_Charge	0
71321	Mono_Isotopic_Weight	309.0767857
43366	Rotatable_Bond_Count	0
54493962	Undefined_Atom_Stereo_Count	0
46942	Non-hydrogen_Atom_Count	14
7337	Molecular_Weight	168.15
3685	Total_Formal_Charge	0
1884	Non-hydrogen_Atom_Count	15
101973938	Mono_Isotopic_Weight	411.24095853
10246418	Isotope_Atom_Count	0
9862	Hydrogen_Bond_Acceptor_Count	1
11446304	Isotope_Atom_Count	0
13424663	Undefined_Atom_Stereo_Count	0
95864	Mono_Isotopic_Weight	178.00885060
124600	Covalent_Unit_Count	1
3082460	Non-hydrogen_Atom_Count	24
46078	Isotope_Atom_Count	0
14260	Rotatable_Bond_Count	11
5318156	Mono_Isotopic_Weight	534.17372639
20542700	TPSA	52.5
20727	Total_Formal_Charge	0
19731	Rotatable_Bond_Count	4
8036	Rotatable_Bond_Count	3
126968495	Defined_Atom_Stereo_Count	19
10953432	Mono_Isotopic_Weight	98.036779430
821645	Defined_Bond_Stereo_Count	1
13396	Rotatable_Bond_Count	0
24247	XLogP3-AA	2.3
69601	Mono_Isotopic_Weight	116.062600255
134436906	TPSA	112
91087925	Molecular_Weight	97.16
3889	TPSA	232
6420033	Structure_Complexity	176
154489025	XLogP3-AA	0.2
87303552	Covalent_Unit_Count	1
1951	Molecular_Weight	564.5
53427	Defined_Atom_Stereo_Count	0
12753	Structure_Complexity	50
54691418	Exact_Mass	216.06338810
3008895	Exact_Mass	1158.42089250
5288365	Covalent_Unit_Count	1
8556	Non-hydrogen_Atom_Count	21
78126908	Mono_Isotopic_Weight	472.31887450
70425	TPSA	44.8
3264	Total_Formal_Charge	0
7820	Rotatable_Bond_Count	5
418940	Undefined_Atom_Stereo_Count	1
3083655	Structure_Complexity	67.4
24864463	TPSA	72.8
79036	Isotope_Atom_Count	0
95497	Non-hydrogen_Atom_Count	7
6444186	Non-hydrogen_Atom_Count	69
135121972	TPSA	96.4
5786	XLogP3	3.4
12623599	Rotatable_Bond_Count	1
10931393	Covalent_Unit_Count	1
77663	Defined_Bond_Stereo_Count	0
14789	Non-hydrogen_Atom_Count	7
4145140	TPSA	63.3
64505	Covalent_Unit_Count	1
62097	Tautomer_Count	2
14919832	Defined_Atom_Stereo_Count	0
11628328	Exact_Mass	566.23048886
147097491	TPSA	9.2
11332423	Molecular_Weight	103.16
3702	Exact_Mass	365.0600902
4806	Undefined_Bond_Stereo_Count	0
5003	Defined_Atom_Stereo_Count	0
14808025	Molecular_Weight	101.10
13795008	Undefined_Atom_Stereo_Count	0
1730	Hydrogen_Bond_Acceptor_Count	2
69262871	Defined_Atom_Stereo_Count	0
19241	Undefined_Atom_Stereo_Count	0
19283	Hydrogen_Bond_Donor_Count	0
134819268	Hydrogen_Bond_Donor_Count	7
137944176	Structure_Complexity	96.3
14529	Isotope_Atom_Count	0
91711338	Hydrogen_Bond_Acceptor_Count	2
1550887	Molecular_Weight	264.3
247573	Defined_Atom_Stereo_Count	3
3236	Mono_Isotopic_Weight	259.193614421
66419	Hydrogen_Bond_Donor_Count	2
2430	Covalent_Unit_Count	1
10975436	Rotatable_Bond_Count	0
14025	Undefined_Atom_Stereo_Count	0
44201342	Undefined_Atom_Stereo_Count	0
9577221	XLogP3-AA	3.2
10138980	Undefined_Atom_Stereo_Count	0
6410621	Undefined_Atom_Stereo_Count	0
4241466	Mono_Isotopic_Weight	224.177630004
19016756	Undefined_Atom_Stereo_Count	0
71317097	TPSA	110
23691996	Isotope_Atom_Count	0
8907	Exact_Mass	298.287180451
21887872	Undefined_Atom_Stereo_Count	0
12502855	Total_Formal_Charge	0
53667577	Molecular_Weight	113.16
9430	Undefined_Bond_Stereo_Count	0
24891698	Exact_Mass	427.20082506
2707	Isotope_Atom_Count	0
54111	Defined_Bond_Stereo_Count	0
11643926	Covalent_Unit_Count	1
54605802	Total_Formal_Charge	0
5362124	Hydrogen_Bond_Acceptor_Count	6
83639	Covalent_Unit_Count	1
94301	Total_Formal_Charge	0
12573513	Isotope_Atom_Count	0
22166430	Mono_Isotopic_Weight	101.084063974
13601	Rotatable_Bond_Count	0
65573725	Total_Formal_Charge	0
17244	TPSA	17.1
3613546	Covalent_Unit_Count	3
3907	Exact_Mass	625.30330126
67849	Covalent_Unit_Count	1
3664	Hydrogen_Bond_Acceptor_Count	10
14502976	Undefined_Bond_Stereo_Count	0
87661	Tautomer_Count	1
138319688	Undefined_Bond_Stereo_Count	0
59750537	Defined_Bond_Stereo_Count	0
162990683	Total_Formal_Charge	0
70241	Structure_Complexity	316
11315250	Total_Formal_Charge	0
68704	Non-hydrogen_Atom_Count	16
129833854	Molecular_Weight	353.08
3806114	Mono_Isotopic_Weight	148.00078784
5360373	Non-hydrogen_Atom_Count	96
9809	Molecular_Weight	270.55
9570093	Undefined_Bond_Stereo_Count	0
132282752	Defined_Bond_Stereo_Count	0
167305	Total_Formal_Charge	0
13097	Molecular_Weight	278.3
77338	Undefined_Bond_Stereo_Count	0
522596	Isotope_Atom_Count	0
69834	Undefined_Atom_Stereo_Count	0
16136912	Defined_Atom_Stereo_Count	22
60155	Rotatable_Bond_Count	4
10070040	Undefined_Atom_Stereo_Count	0
13223	XLogP3-AA	0.7
3699841	Rotatable_Bond_Count	2
5459361	Rotatable_Bond_Count	42
81668	Tautomer_Count	1
34134	Defined_Bond_Stereo_Count	0
106	Structure_Complexity	186
524766	Mono_Isotopic_Weight	95.073499291
5282433	Undefined_Atom_Stereo_Count	0
24900874	TPSA	128
118210244	Undefined_Bond_Stereo_Count	0
10409908	Undefined_Bond_Stereo_Count	0
53956290	TPSA	117
142914812	Structure_Complexity	70.5
64156	Undefined_Atom_Stereo_Count	0
134688669	Exact_Mass	628.26723285
11956149	TPSA	43.1
6764	TPSA	59.9
941361	Non-hydrogen_Atom_Count	30
140442165	Non-hydrogen_Atom_Count	85
12719155	Hydrogen_Bond_Acceptor_Count	2
443605	Undefined_Atom_Stereo_Count	2
70680969	Rotatable_Bond_Count	7
11542775	Tautomer_Count	1
9856149	XLogP3-AA	5.2
5715107	Total_Formal_Charge	0
124009720	Defined_Bond_Stereo_Count	0
11527774	Covalent_Unit_Count	1
10176	Defined_Bond_Stereo_Count	0
44573579	TPSA	57.2
55291451	Isotope_Atom_Count	0
22262513	Mono_Isotopic_Weight	99.068413911
16760063	Non-hydrogen_Atom_Count	34
10331863	XLogP3-AA	3.1
6436658	Undefined_Bond_Stereo_Count	0
101836	Total_Formal_Charge	0
23662025	Tautomer_Count	9
45266545	Exact_Mass	862.09212908
34303	Mono_Isotopic_Weight	234.198365449
70321834	Isotope_Atom_Count	0
53483390	Defined_Atom_Stereo_Count	5
10952	Mono_Isotopic_Weight	118.0549280
636345	Hydrogen_Bond_Acceptor_Count	26
15365	Hydrogen_Bond_Donor_Count	0
17754007	Mono_Isotopic_Weight	200.04962974
71371	TPSA	191
518944	Undefined_Atom_Stereo_Count	0
71584165	Exact_Mass	359.13036271
150558758	Defined_Bond_Stereo_Count	0
447249	Rotatable_Bond_Count	7
10486	Undefined_Bond_Stereo_Count	0
2773450	Hydrogen_Bond_Donor_Count	1
66053	Mono_Isotopic_Weight	88.100048391
135484176	Rotatable_Bond_Count	17
13531383	Tautomer_Count	1
5284447	Non-hydrogen_Atom_Count	47
5280707	Defined_Bond_Stereo_Count	1
13524524	Hydrogen_Bond_Donor_Count	0
98053103	Isotope_Atom_Count	0
57394711	XLogP3-AA	3.2
119904	Exact_Mass	231.851285
439368	Mono_Isotopic_Weight	130.062994177
12514389	Covalent_Unit_Count	1
231360	Total_Formal_Charge	0
65763	Rotatable_Bond_Count	7
664081	Total_Formal_Charge	0
16133899	Hydrogen_Bond_Acceptor_Count	152
54949	Isotope_Atom_Count	0
17956339	Defined_Atom_Stereo_Count	0
57351929	Defined_Bond_Stereo_Count	0
5281042	Molecular_Weight	1029.3
5364759	Isotope_Atom_Count	0
12691392	Undefined_Atom_Stereo_Count	0
9962	Structure_Complexity	106
23702994	Structure_Complexity	1340
3086428	Undefined_Atom_Stereo_Count	1
77554	Molecular_Weight	435.6
6207	Undefined_Bond_Stereo_Count	0
135391044	Undefined_Atom_Stereo_Count	0
79784	Total_Formal_Charge	0
445212	Defined_Atom_Stereo_Count	4
23080446	Defined_Atom_Stereo_Count	0
57336523	Tautomer_Count	48
18522786	Exact_Mass	109.052763847
694041	Total_Formal_Charge	0
923638	Hydrogen_Bond_Acceptor_Count	3
14709	Defined_Bond_Stereo_Count	0
542215	Undefined_Bond_Stereo_Count	0
1982	Rotatable_Bond_Count	3
7715	Isotope_Atom_Count	0
2733673	Undefined_Bond_Stereo_Count	0
3639	Rotatable_Bond_Count	1
41377	Total_Formal_Charge	0
66057	Hydrogen_Bond_Acceptor_Count	2
5497143	Covalent_Unit_Count	1
135460987	Defined_Bond_Stereo_Count	0
445715	Total_Formal_Charge	0
26908	Structure_Complexity	361
52947103	Total_Formal_Charge	0
166931	Mono_Isotopic_Weight	47.976501649
91256663	Exact_Mass	108.057514874
279062	Molecular_Weight	285.25
66072	Undefined_Atom_Stereo_Count	0
132302	Tautomer_Count	1
639391	Defined_Bond_Stereo_Count	2
17989307	Exact_Mass	98.073164938
13485	Structure_Complexity	464
779179	Exact_Mass	347.18450629
69591	Molecular_Weight	144.17
637563	Defined_Bond_Stereo_Count	1
60335	Defined_Bond_Stereo_Count	0
129885959	Structure_Complexity	1120
641005	Tautomer_Count	1
445501	Hydrogen_Bond_Donor_Count	0
10560336	Mono_Isotopic_Weight	173.107873423
56982924	Hydrogen_Bond_Donor_Count	1
520305	Defined_Atom_Stereo_Count	0
126894	Isotope_Atom_Count	0
21519580	XLogP3-AA	0.2
70588255	Covalent_Unit_Count	1
68424	Rotatable_Bond_Count	1
22463839	Hydrogen_Bond_Donor_Count	0
46843057	Hydrogen_Bond_Acceptor_Count	5
39418872	Hydrogen_Bond_Donor_Count	2
11443	Non-hydrogen_Atom_Count	13
141112	Undefined_Bond_Stereo_Count	0
59296066	Isotope_Atom_Count	0
160557	Non-hydrogen_Atom_Count	12
66304	Undefined_Bond_Stereo_Count	0
87315833	Structure_Complexity	31
71713951	Covalent_Unit_Count	1
9898814	Rotatable_Bond_Count	0
14058558	Mono_Isotopic_Weight	346.23080839
24233	Structure_Complexity	30.5
644109	Undefined_Atom_Stereo_Count	0
84815	Rotatable_Bond_Count	4
4712728	Hydrogen_Bond_Donor_Count	1
2734224	Tautomer_Count	1
13362585	Defined_Atom_Stereo_Count	0
13019052	Covalent_Unit_Count	1
16212480	Defined_Atom_Stereo_Count	4
10866248	Molecular_Weight	18.055
17763680	Hydrogen_Bond_Donor_Count	2
5377410	Defined_Atom_Stereo_Count	0
139771583	Non-hydrogen_Atom_Count	8
155387567	Structure_Complexity	107
59339316	Hydrogen_Bond_Acceptor_Count	2
6918988	Molecular_Weight	293.29
11733	Defined_Bond_Stereo_Count	0
11496886	Molecular_Weight	493.24
10788	Hydrogen_Bond_Acceptor_Count	3
46173365	Structure_Complexity	1120
226057	Undefined_Bond_Stereo_Count	0
24096961	Total_Formal_Charge	0
6979027	Molecular_Weight	303.35
194791	Exact_Mass	833.27485046
96821	Non-hydrogen_Atom_Count	12
129694466	Molecular_Weight	952.4
29732	Structure_Complexity	462
15664	Molecular_Weight	184.24
56964111	Covalent_Unit_Count	1
68739327	Isotope_Atom_Count	0
69347719	TPSA	53
97815	Rotatable_Bond_Count	2
3878	Defined_Bond_Stereo_Count	0
4626972	Isotope_Atom_Count	0
58489260	Undefined_Atom_Stereo_Count	2
95876	Molecular_Weight	352.7
10841	Defined_Atom_Stereo_Count	0
135398645	Undefined_Bond_Stereo_Count	0
123535886	Rotatable_Bond_Count	0
71593	Defined_Atom_Stereo_Count	0
107805	Exact_Mass	293.152812238
550814	Hydrogen_Bond_Donor_Count	2
9815689	TPSA	50.1
59561	Hydrogen_Bond_Acceptor_Count	2
54099616	Total_Formal_Charge	0
65300	TPSA	29.1
144813235	TPSA	52.3
16678045	Hydrogen_Bond_Donor_Count	2
8970	Structure_Complexity	340
365661	Molecular_Weight	503.3
27528	TPSA	54.4
669570	Hydrogen_Bond_Acceptor_Count	3
77332	TPSA	9.2
57400037	Total_Formal_Charge	0
56663238	Non-hydrogen_Atom_Count	31
11237985	Defined_Bond_Stereo_Count	0
13639661	Structure_Complexity	110
73658	Exact_Mass	811.47314329
66683200	Hydrogen_Bond_Donor_Count	1
57993933	Undefined_Bond_Stereo_Count	0
16719220	Defined_Bond_Stereo_Count	0
14454	Covalent_Unit_Count	1
135398595	Hydrogen_Bond_Acceptor_Count	12
228	Mono_Isotopic_Weight	427.01989983
10126799	Rotatable_Bond_Count	5
77843966	Defined_Atom_Stereo_Count	2
151069	Rotatable_Bond_Count	7
46224572	TPSA	81.6
6918493	Undefined_Atom_Stereo_Count	0
45085104	Defined_Bond_Stereo_Count	0
155907178	Hydrogen_Bond_Acceptor_Count	4
64824	Structure_Complexity	717
12921732	Mono_Isotopic_Weight	82.041864811
33934	Non-hydrogen_Atom_Count	28
67688	Total_Formal_Charge	0
72385	Covalent_Unit_Count	1
444863	Exact_Mass	164.06847348
201990	Undefined_Bond_Stereo_Count	0
4651115	Covalent_Unit_Count	4
442424	TPSA	76
39230	Rotatable_Bond_Count	4
7579	Defined_Atom_Stereo_Count	0
86307	Covalent_Unit_Count	1
55	Exact_Mass	654.53758147
70693584	Isotope_Atom_Count	0
5029	Covalent_Unit_Count	1
21263577	Non-hydrogen_Atom_Count	7
71651624	Exact_Mass	97.052763847
19386566	Isotope_Atom_Count	0
38439	Undefined_Atom_Stereo_Count	0
53317120	Defined_Bond_Stereo_Count	0
17305	Hydrogen_Bond_Donor_Count	0
67578175	Defined_Bond_Stereo_Count	0
108026	XLogP3-AA	2.5
859	TPSA	221
82116	Isotope_Atom_Count	0
325086	Mono_Isotopic_Weight	114.031694049
4253	Covalent_Unit_Count	1
71072113	Molecular_Weight	505.5
48104	Total_Formal_Charge	0
13814	Rotatable_Bond_Count	5
25202509	TPSA	216
133952	Undefined_Atom_Stereo_Count	2
32184	Defined_Atom_Stereo_Count	0
3634	Structure_Complexity	443
5459220	Total_Formal_Charge	0
245729	Hydrogen_Bond_Donor_Count	2
133665799	TPSA	40.5
8112	Defined_Atom_Stereo_Count	0
14470	Mono_Isotopic_Weight	87.068413911
59392023	Hydrogen_Bond_Donor_Count	2
142796	Structure_Complexity	67.7
89206022	Rotatable_Bond_Count	13
13027931	Defined_Bond_Stereo_Count	0
21873275	Defined_Bond_Stereo_Count	0
81561	Molecular_Weight	160.21
17579	Mono_Isotopic_Weight	365.04868078
24352	Undefined_Bond_Stereo_Count	0
3271820	Defined_Bond_Stereo_Count	0
2973198	Undefined_Atom_Stereo_Count	2
6908	TPSA	0
3388301	Mono_Isotopic_Weight	218.9615744
57930746	Molecular_Weight	109.13
71778	Covalent_Unit_Count	1
91100506	Exact_Mass	98.011627311
148201	Covalent_Unit_Count	1
569599	Mono_Isotopic_Weight	284.06194880
22096197	Covalent_Unit_Count	1
68551	Covalent_Unit_Count	2
83960	Molecular_Weight	499.2
5488579	Total_Formal_Charge	0
798232	Undefined_Bond_Stereo_Count	0
23077956	Defined_Bond_Stereo_Count	0
11001318	Exact_Mass	306.9802985
66041	Molecular_Weight	130.19
17652	Non-hydrogen_Atom_Count	11
6433415	Defined_Bond_Stereo_Count	1
16113753	Undefined_Bond_Stereo_Count	0
23723027	Hydrogen_Bond_Donor_Count	0
20387201	Exact_Mass	113.120449483
44123456	Isotope_Atom_Count	0
44593340	Undefined_Bond_Stereo_Count	0
4561	Molecular_Weight	518.8
556380	XLogP3-AA	1
408536	Undefined_Atom_Stereo_Count	1
8168	Exact_Mass	213.245649993
5289295	Isotope_Atom_Count	0
11561779	Defined_Atom_Stereo_Count	0
21977681	Rotatable_Bond_Count	6
22720	Non-hydrogen_Atom_Count	7
21613900	Covalent_Unit_Count	1
2076	Isotope_Atom_Count	0
5310983	Mono_Isotopic_Weight	552.98346781
22220875	Structure_Complexity	103
76044	Non-hydrogen_Atom_Count	26
25102936	Defined_Bond_Stereo_Count	0
122685	Hydrogen_Bond_Acceptor_Count	12
2077	XLogP3-AA	2.1
136266076	Defined_Atom_Stereo_Count	0
1714	Non-hydrogen_Atom_Count	23
75779	Undefined_Bond_Stereo_Count	0
44578615	Isotope_Atom_Count	0
45588096	Tautomer_Count	1000
10435	Molecular_Weight	111.11
2724032	Structure_Complexity	191
7504	Isotope_Atom_Count	0
16051584	Rotatable_Bond_Count	6
56629862	Hydrogen_Bond_Acceptor_Count	2
14200855	Covalent_Unit_Count	1
10248	Rotatable_Bond_Count	5
36547	Total_Formal_Charge	0
6420074	Covalent_Unit_Count	1
21914607	Exact_Mass	99.104799419
6419807	Exact_Mass	328.1090889
151175776	Structure_Complexity	113
90393	Exact_Mass	283.157228913
11386	Covalent_Unit_Count	1
123470675	XLogP3-AA	3.1
121397587	Non-hydrogen_Atom_Count	33
68939	Total_Formal_Charge	0
46209194	TPSA	47.1
145994360	Hydrogen_Bond_Acceptor_Count	11
6625	XLogP3	3.9
37461	Undefined_Atom_Stereo_Count	0
65963	Total_Formal_Charge	0
88941292	Exact_Mass	112.063662883
192711	XLogP3-AA	4.2
7201	Defined_Bond_Stereo_Count	0
2907	Hydrogen_Bond_Donor_Count	1
6163	Mono_Isotopic_Weight	154.02997997
66719	Hydrogen_Bond_Acceptor_Count	2
11520	Non-hydrogen_Atom_Count	8
439224	Exact_Mass	226.10659032
9410	Molecular_Weight	303.8
9929799	Covalent_Unit_Count	2
52934127	Mono_Isotopic_Weight	423.1462027
25167777	Defined_Atom_Stereo_Count	0
8462	Tautomer_Count	1
140988277	Defined_Bond_Stereo_Count	0
12967	Total_Formal_Charge	0
71253	Hydrogen_Bond_Acceptor_Count	7
6951123	Non-hydrogen_Atom_Count	10
76196	Hydrogen_Bond_Donor_Count	2
2531445	Covalent_Unit_Count	1
16323	Structure_Complexity	141
475930	TPSA	99.1
86260793	Undefined_Bond_Stereo_Count	0
6597	Undefined_Atom_Stereo_Count	0
120508	Defined_Bond_Stereo_Count	0
57401194	TPSA	73.5
12302671	TPSA	190
23284	XLogP3-AA	4.7
76398	Covalent_Unit_Count	1
90498	Non-hydrogen_Atom_Count	6
133562634	Undefined_Atom_Stereo_Count	0
70789197	Defined_Bond_Stereo_Count	0
41381	Hydrogen_Bond_Donor_Count	0
42609791	Rotatable_Bond_Count	13
968081	Isotope_Atom_Count	0
22153558	Non-hydrogen_Atom_Count	6
12497562	Undefined_Atom_Stereo_Count	1
8711	Defined_Atom_Stereo_Count	0
11194306	Non-hydrogen_Atom_Count	8
68016	Non-hydrogen_Atom_Count	10
135565596	Covalent_Unit_Count	1
91984	Undefined_Atom_Stereo_Count	0
16775060	Undefined_Bond_Stereo_Count	0
24833843	Rotatable_Bond_Count	15
88981819	Total_Formal_Charge	0
4583497	Hydrogen_Bond_Donor_Count	2
5281437	Tautomer_Count	1
147201521	TPSA	3
17038	Defined_Bond_Stereo_Count	0
9945189	Molecular_Weight	326.34
65495	Hydrogen_Bond_Donor_Count	1
4111803	Structure_Complexity	48.1
1201546	Exact_Mass	132.96560607
163285334	XLogP3-AA	5.1
116	Defined_Bond_Stereo_Count	0
4850	XLogP3-AA	1.8
1021	Covalent_Unit_Count	1
6604889	TPSA	69.2
75284	Defined_Bond_Stereo_Count	0
68356363	Total_Formal_Charge	0
62779	Rotatable_Bond_Count	1
57394197	Defined_Bond_Stereo_Count	0
14892	Covalent_Unit_Count	2
2812423	Covalent_Unit_Count	1
74413	Undefined_Atom_Stereo_Count	0
88959440	Total_Formal_Charge	0
78837	XLogP3-AA	2.2
14852454	TPSA	38
202195	Defined_Bond_Stereo_Count	0
63179	Exact_Mass	513.21647512
638097	Covalent_Unit_Count	1
6918537	Mono_Isotopic_Weight	303.19467705
59966641	Total_Formal_Charge	0
16115747	Undefined_Atom_Stereo_Count	0
90722224	TPSA	9.2
86233820	Rotatable_Bond_Count	1
13574952	TPSA	38.7
23116021	Exact_Mass	144.138839198
41114	Total_Formal_Charge	0
72828705	Molecular_Weight	224.30
9953590	TPSA	82.2
9595287	Hydrogen_Bond_Donor_Count	1
23663404	Total_Formal_Charge	0
2317	Undefined_Atom_Stereo_Count	0
4616292	TPSA	89.7
56620695	Hydrogen_Bond_Acceptor_Count	3
58664	Rotatable_Bond_Count	3
147569	Covalent_Unit_Count	1
6554	Undefined_Atom_Stereo_Count	1
5101	Undefined_Bond_Stereo_Count	0
55939	Hydrogen_Bond_Acceptor_Count	5
6426773	TPSA	136
71381729	Total_Formal_Charge	0
20387201	TPSA	3
17074527	Non-hydrogen_Atom_Count	8
1150897	Defined_Bond_Stereo_Count	0
162059	Molecular_Weight	214.5
68009582	Defined_Bond_Stereo_Count	0
19651	Exact_Mass	529.953300
637572	Tautomer_Count	1
100930731	Molecular_Weight	96.13
156156900	Undefined_Bond_Stereo_Count	0
102601177	Undefined_Atom_Stereo_Count	1
21466942	Total_Formal_Charge	0
12729368	TPSA	33
5367460	Exact_Mass	306.255880323
10470290	Hydrogen_Bond_Acceptor_Count	4
65105	TPSA	52.3
11935	Isotope_Atom_Count	0
5280878	Structure_Complexity	706
13427979	Non-hydrogen_Atom_Count	8
71612	Mono_Isotopic_Weight	410.1527835
38307	Total_Formal_Charge	0
10594637	Molecular_Weight	359.5
19137	XLogP3	1.7
59896759	Molecular_Weight	225.15
154731207	Undefined_Bond_Stereo_Count	0
21969	Structure_Complexity	230
3682	Isotope_Atom_Count	0
14841958	Defined_Bond_Stereo_Count	0
25142176	Undefined_Bond_Stereo_Count	0
3246	Rotatable_Bond_Count	0
11122050	Rotatable_Bond_Count	3
25058183	Molecular_Weight	371.3
668263	Undefined_Bond_Stereo_Count	0
3916	Covalent_Unit_Count	1
656580	Non-hydrogen_Atom_Count	27
536549	XLogP3-AA	1.3
45375806	Isotope_Atom_Count	0
74695	Isotope_Atom_Count	0
42602260	Mono_Isotopic_Weight	428.1727518
3117357	Defined_Atom_Stereo_Count	0
18541939	Tautomer_Count	9
657302	Tautomer_Count	2
5288600	Total_Formal_Charge	0
11029782	Defined_Bond_Stereo_Count	0
21975	Undefined_Bond_Stereo_Count	0
17745	Isotope_Atom_Count	0
61453	Non-hydrogen_Atom_Count	11
165971	TPSA	3
36816	Undefined_Bond_Stereo_Count	0
14912114	Covalent_Unit_Count	1
57392872	Rotatable_Bond_Count	6
453077	Total_Formal_Charge	0
13076	Non-hydrogen_Atom_Count	16
12902531	Non-hydrogen_Atom_Count	8
920954	Isotope_Atom_Count	0
316797	Covalent_Unit_Count	1
78012803	Isotope_Atom_Count	0
76973216	Hydrogen_Bond_Donor_Count	4
2810830	Defined_Bond_Stereo_Count	0
145755	TPSA	77.8
41097850	Covalent_Unit_Count	1
46304	Defined_Atom_Stereo_Count	0
68648	Undefined_Bond_Stereo_Count	0
549253	Total_Formal_Charge	0
6426699	Hydrogen_Bond_Donor_Count	1
7577	Structure_Complexity	157
5702238	Hydrogen_Bond_Acceptor_Count	3
11970	Mono_Isotopic_Weight	152.047344113
71397987	TPSA	38.7
54041	Tautomer_Count	2
11018839	TPSA	35.5
151896	Covalent_Unit_Count	2
5491665	Mono_Isotopic_Weight	531.1560986
135565471	Hydrogen_Bond_Acceptor_Count	15
49778730	TPSA	96.3
101771	Undefined_Bond_Stereo_Count	0
10781	Structure_Complexity	274
8936	Mono_Isotopic_Weight	810.42037944
51030053	Total_Formal_Charge	0
91026652	Hydrogen_Bond_Acceptor_Count	2
7559	Defined_Atom_Stereo_Count	0
21917899	Undefined_Atom_Stereo_Count	0
11264371	TPSA	103
1243	Isotope_Atom_Count	0
11060054	Rotatable_Bond_Count	20
2734086	Molecular_Weight	446.7
68700720	Structure_Complexity	66.7
9904	Undefined_Bond_Stereo_Count	0
21883050	Isotope_Atom_Count	0
79081	Total_Formal_Charge	0
4951	Molecular_Weight	530.6
10960920	Undefined_Atom_Stereo_Count	0
17963363	Non-hydrogen_Atom_Count	34
11235541	Hydrogen_Bond_Acceptor_Count	7
65725	Mono_Isotopic_Weight	102.042927438
77832	Hydrogen_Bond_Acceptor_Count	3
44404640	Covalent_Unit_Count	1
23662354	Hydrogen_Bond_Acceptor_Count	4
5280805	Defined_Bond_Stereo_Count	0
91151945	Hydrogen_Bond_Acceptor_Count	11
73268	Structure_Complexity	196
162990682	Structure_Complexity	1220
12869962	Total_Formal_Charge	0
71742706	Covalent_Unit_Count	1
7461	Tautomer_Count	1
2737289	XLogP3	0.8
181511	Hydrogen_Bond_Donor_Count	2
34231	XLogP3-AA	2.3
134973	Undefined_Atom_Stereo_Count	2
11136668	Covalent_Unit_Count	1
17904805	Defined_Bond_Stereo_Count	0
44644	Defined_Bond_Stereo_Count	0
135565589	Isotope_Atom_Count	0
17356	Undefined_Atom_Stereo_Count	0
5283377	Structure_Complexity	204
138200	Structure_Complexity	101
9890377	Undefined_Atom_Stereo_Count	2
7182	Exact_Mass	209.06880783
8356	Undefined_Atom_Stereo_Count	0
74320	Undefined_Atom_Stereo_Count	0
5826113	Isotope_Atom_Count	0
154478098	Defined_Bond_Stereo_Count	0
722533	Molecular_Weight	292.31
135459889	Mono_Isotopic_Weight	167.02051497
45255110	Undefined_Atom_Stereo_Count	0
7914	Hydrogen_Bond_Donor_Count	0
5188	Non-hydrogen_Atom_Count	29
129821916	Rotatable_Bond_Count	4
31170	Rotatable_Bond_Count	0
62551	Defined_Atom_Stereo_Count	0
459140	Molecular_Weight	314.3
53673	Structure_Complexity	191
79060	Undefined_Atom_Stereo_Count	1
124012131	Defined_Bond_Stereo_Count	0
204	Isotope_Atom_Count	0
20485906	Non-hydrogen_Atom_Count	7
70693117	Undefined_Atom_Stereo_Count	0
22097456	Mono_Isotopic_Weight	112.063662883
5355863	Defined_Atom_Stereo_Count	0
66755	Defined_Bond_Stereo_Count	0
522131	Hydrogen_Bond_Donor_Count	1
12215992	Non-hydrogen_Atom_Count	8
6419765	Non-hydrogen_Atom_Count	18
132998	Non-hydrogen_Atom_Count	30
21124737	Undefined_Bond_Stereo_Count	0
91473751	Total_Formal_Charge	0
73246	TPSA	183
16684171	Total_Formal_Charge	0
6436083	Mono_Isotopic_Weight	538.18450
5491906	Isotope_Atom_Count	0
13235330	Defined_Bond_Stereo_Count	0
91259187	TPSA	0
36966	Hydrogen_Bond_Acceptor_Count	8
26375	Total_Formal_Charge	0
607248	Structure_Complexity	161
31294	Isotope_Atom_Count	0
4163	Defined_Atom_Stereo_Count	0
23418	Undefined_Atom_Stereo_Count	0
11865407	Undefined_Bond_Stereo_Count	0
54758035	Covalent_Unit_Count	1
2737121	Defined_Bond_Stereo_Count	0
104234	Molecular_Weight	299.4
82658	Molecular_Weight	140.18
91102603	Total_Formal_Charge	0
6918649	Undefined_Bond_Stereo_Count	0
30489	Structure_Complexity	115
6433101	Isotope_Atom_Count	0
85916	Mono_Isotopic_Weight	100.063662883
6452749	Covalent_Unit_Count	2
67236438	Tautomer_Count	3
81764	Non-hydrogen_Atom_Count	19
398687	Hydrogen_Bond_Acceptor_Count	5
5357479	Undefined_Atom_Stereo_Count	0
124040753	XLogP3	1.4
10777574	Exact_Mass	258.05581460
1056	Isotope_Atom_Count	0
167305	Exact_Mass	407.9681475
5284597	Defined_Atom_Stereo_Count	6
87704774	Molecular_Weight	219.67
149433	Rotatable_Bond_Count	1
40279	Hydrogen_Bond_Acceptor_Count	4
550925	Undefined_Bond_Stereo_Count	0
6539003	Hydrogen_Bond_Donor_Count	3
91655	Tautomer_Count	1
129688311	Exact_Mass	1030.35880530
57267	Molecular_Weight	340.8
101587	Total_Formal_Charge	0
59189978	TPSA	12.5
11790	Undefined_Atom_Stereo_Count	0
13740443	Exact_Mass	83.037113783
49243	TPSA	101
22408669	Hydrogen_Bond_Donor_Count	2
69085357	Rotatable_Bond_Count	4
9893	TPSA	26.3
103565751	Covalent_Unit_Count	1
10244018	TPSA	66.8
95125	Mono_Isotopic_Weight	284.11609238
5351457	Molecular_Weight	654.8
197127	Covalent_Unit_Count	1
67518639	Hydrogen_Bond_Donor_Count	5
27588	Structure_Complexity	189
63016	Rotatable_Bond_Count	4
98685	Undefined_Bond_Stereo_Count	0
628281	Isotope_Atom_Count	0
5217	Hydrogen_Bond_Acceptor_Count	6
47445	Hydrogen_Bond_Donor_Count	2
91414	XLogP3-AA	3
3671	Structure_Complexity	288
109640	TPSA	12.9
53318410	Hydrogen_Bond_Acceptor_Count	3
5005	TPSA	95.9
24181099	Exact_Mass	490.99433960
34060	Rotatable_Bond_Count	6
86007746	Defined_Bond_Stereo_Count	0
16095400	Defined_Atom_Stereo_Count	0
14117201	Defined_Bond_Stereo_Count	0
47318	TPSA	109
299801	Covalent_Unit_Count	1
5034	Non-hydrogen_Atom_Count	21
59999517	Hydrogen_Bond_Acceptor_Count	2
66751	Rotatable_Bond_Count	9
97065	Molecular_Weight	226.4
67300	Hydrogen_Bond_Donor_Count	0
5377022	Rotatable_Bond_Count	3
656867	Hydrogen_Bond_Donor_Count	2
256019	Exact_Mass	218.04129354
53380818	Rotatable_Bond_Count	5
10610	Exact_Mass	358.13511374
86063	Hydrogen_Bond_Acceptor_Count	4
130122759	Structure_Complexity	111
4454486	XLogP3-AA	2.9
4196	Defined_Bond_Stereo_Count	0
134694041	Defined_Atom_Stereo_Count	6
3083542	XLogP3-AA	7
20885	Undefined_Atom_Stereo_Count	0
44310002	Covalent_Unit_Count	1
18622372	Hydrogen_Bond_Donor_Count	0
213013	Total_Formal_Charge	0
74431	Hydrogen_Bond_Acceptor_Count	2
19993419	Undefined_Atom_Stereo_Count	1
656902	Hydrogen_Bond_Donor_Count	4
2736145	Covalent_Unit_Count	1
18410302	Defined_Atom_Stereo_Count	0
71343993	Structure_Complexity	79.8
133688117	Defined_Atom_Stereo_Count	4
5281088	Hydrogen_Bond_Acceptor_Count	2
483407	Molecular_Weight	513.7
25380	Hydrogen_Bond_Donor_Count	0
8629	Structure_Complexity	964
16133899	Defined_Atom_Stereo_Count	0
12228	Undefined_Bond_Stereo_Count	0
9579578	Rotatable_Bond_Count	5
6378383	Mono_Isotopic_Weight	357.209264485
78357784	Covalent_Unit_Count	1
44563178	Undefined_Bond_Stereo_Count	0
10080341	Rotatable_Bond_Count	0
408511	Hydrogen_Bond_Acceptor_Count	4
129636908	Covalent_Unit_Count	2
70846	Isotope_Atom_Count	0
16541	Hydrogen_Bond_Acceptor_Count	2
70695640	TPSA	0
50894	Molecular_Weight	308.37
107921	Mono_Isotopic_Weight	218.105527694
22628430	Rotatable_Bond_Count	1
15927	Mono_Isotopic_Weight	186.99966
118984411	Hydrogen_Bond_Donor_Count	1
22524140	XLogP3-AA	4
3246155	Non-hydrogen_Atom_Count	28
69091	Defined_Atom_Stereo_Count	0
118701745	XLogP3-AA	4.2
439888	TPSA	40.5
62274	Defined_Bond_Stereo_Count	0
157599173	Undefined_Atom_Stereo_Count	1
106824140	Hydrogen_Bond_Acceptor_Count	3
6956382	Hydrogen_Bond_Donor_Count	0
57522038	Non-hydrogen_Atom_Count	27
70233	Rotatable_Bond_Count	4
73795	Covalent_Unit_Count	1
15256279	Non-hydrogen_Atom_Count	7
193581	Defined_Bond_Stereo_Count	0
6437380	Undefined_Bond_Stereo_Count	0
129983923	TPSA	12.5
24530	Non-hydrogen_Atom_Count	3
141897	Tautomer_Count	1
44258	Defined_Atom_Stereo_Count	0
13930075	TPSA	29.1
123400613	TPSA	9.2
5330175	TPSA	68.7
12290023	Total_Formal_Charge	0
6335436	Defined_Atom_Stereo_Count	4
66823423	Mono_Isotopic_Weight	135.00447060
11198850	Structure_Complexity	523
18622366	Undefined_Bond_Stereo_Count	0
19022508	Rotatable_Bond_Count	5
13728301	Undefined_Atom_Stereo_Count	2
3083544	Defined_Atom_Stereo_Count	2
154734173	TPSA	55.4
86083878	Undefined_Bond_Stereo_Count	0
156417	Total_Formal_Charge	0
2734931	Defined_Atom_Stereo_Count	0
27197	Covalent_Unit_Count	1
44146693	Undefined_Bond_Stereo_Count	0
149208291	TPSA	21.9
9805	Rotatable_Bond_Count	0
56677003	Structure_Complexity	742
23681559	Tautomer_Count	6
124921376	Non-hydrogen_Atom_Count	47
3766	XLogP3-AA	5.2
18757800	Defined_Bond_Stereo_Count	0
25102847	Hydrogen_Bond_Donor_Count	2
16958	Structure_Complexity	200
19539	Total_Formal_Charge	0
11957590	Rotatable_Bond_Count	6
50888	Non-hydrogen_Atom_Count	24
12183049	Exact_Mass	108.093900383
70693585	Rotatable_Bond_Count	6
82095	Rotatable_Bond_Count	0
5282200	Undefined_Atom_Stereo_Count	0
107780	Isotope_Atom_Count	0
117217480	Exact_Mass	114.042927438
40684	Isotope_Atom_Count	0
25010556	Non-hydrogen_Atom_Count	26
28500	Defined_Atom_Stereo_Count	0
15650	Molecular_Weight	98.14
124992	Molecular_Weight	254.18
25201794	Hydrogen_Bond_Donor_Count	0
24742076	TPSA	330
5283078	Defined_Atom_Stereo_Count	5
6805	TPSA	37.3
13146993	Defined_Atom_Stereo_Count	0
12871715	XLogP3-AA	0.8
12076	XLogP3	1.9
77495	Structure_Complexity	96.3
385	Undefined_Bond_Stereo_Count	0
9981404	Hydrogen_Bond_Acceptor_Count	7
34636	Molecular_Weight	442.4
73333	Molecular_Weight	401.5
8661	Covalent_Unit_Count	3
104865	Exact_Mass	551.18385484
91501	Tautomer_Count	1
34296	Mono_Isotopic_Weight	112.03467143
129893562	Mono_Isotopic_Weight	1347.582715
220001	Covalent_Unit_Count	1
16738703	Molecular_Weight	118.09
8492	Defined_Bond_Stereo_Count	0
4219798	Molecular_Weight	289.31
140554	Undefined_Bond_Stereo_Count	0
61305	TPSA	142
735940	Hydrogen_Bond_Acceptor_Count	2
13765	Total_Formal_Charge	0
5232593	Non-hydrogen_Atom_Count	5
101010	Defined_Atom_Stereo_Count	0
68928	Isotope_Atom_Count	0
9935274	Structure_Complexity	624
12695798	Non-hydrogen_Atom_Count	8
10409908	Rotatable_Bond_Count	5
21873275	Undefined_Atom_Stereo_Count	0
66558858	Hydrogen_Bond_Donor_Count	2
79192	TPSA	20.2
20656	Total_Formal_Charge	0
6433417	XLogP3-AA	1
13511345	Hydrogen_Bond_Donor_Count	0
229932	Hydrogen_Bond_Donor_Count	1
456058	Molecular_Weight	735.0
54584708	Molecular_Weight	430.4
150899	Exact_Mass	240.187800766
5281884	TPSA	276
55509	Defined_Atom_Stereo_Count	0
54150876	Hydrogen_Bond_Acceptor_Count	3
41463	XLogP3-AA	6.6
4092621	Non-hydrogen_Atom_Count	15
8775	Isotope_Atom_Count	0
19782729	Defined_Bond_Stereo_Count	0
10638446	Hydrogen_Bond_Donor_Count	0
83146	Hydrogen_Bond_Acceptor_Count	2
9230	Mono_Isotopic_Weight	117.057849228
2526	Undefined_Bond_Stereo_Count	0
639643	Total_Formal_Charge	0
80076	Tautomer_Count	1
81325	Isotope_Atom_Count	0
13059495	Tautomer_Count	2
53323370	Non-hydrogen_Atom_Count	34
6918637	Undefined_Atom_Stereo_Count	0
10627323	Defined_Atom_Stereo_Count	0
54060	Defined_Atom_Stereo_Count	0
4039	Undefined_Atom_Stereo_Count	0
13684986	Molecular_Weight	99.13
3364477	Mono_Isotopic_Weight	112.063662883
16219856	Covalent_Unit_Count	2
61057	Exact_Mass	184.182715385
53323740	Defined_Atom_Stereo_Count	0
154091255	Rotatable_Bond_Count	1
55404	Covalent_Unit_Count	1
53748491	Exact_Mass	342.11621151
1271	TPSA	101
131634493	Undefined_Bond_Stereo_Count	0
433	Total_Formal_Charge	0
50989726	Isotope_Atom_Count	0
32326	Undefined_Bond_Stereo_Count	0
12393928	TPSA	50.4
72401	TPSA	162
95767	Structure_Complexity	178
88598	Isotope_Atom_Count	0
16682930	TPSA	0
16591	XLogP3-AA	2.4
23974	Molecular_Weight	140.116
8843	Total_Formal_Charge	0
24870	Isotope_Atom_Count	0
76079	Structure_Complexity	128
6179	Non-hydrogen_Atom_Count	10
134008	Mono_Isotopic_Weight	228.99796882
122672143	TPSA	9.2
16719	Total_Formal_Charge	0
17466	Non-hydrogen_Atom_Count	38
14022499	TPSA	50.5
512289	Covalent_Unit_Count	1
285	Hydrogen_Bond_Donor_Count	1
4479	Undefined_Atom_Stereo_Count	9
11243969	Exact_Mass	315.19467705
60196306	Exact_Mass	670.39282728
22645860	TPSA	38.1
64184	Defined_Atom_Stereo_Count	0
71464685	Molecular_Weight	478.5
151173	Exact_Mass	213.07495584
140069478	Defined_Atom_Stereo_Count	0
91378988	Covalent_Unit_Count	1
123479258	Hydrogen_Bond_Acceptor_Count	1
57394212	Molecular_Weight	481.5
7156900	Defined_Bond_Stereo_Count	0
6433396	Tautomer_Count	1
10406	Hydrogen_Bond_Donor_Count	1
54463873	Isotope_Atom_Count	0
4494	Tautomer_Count	5
111089	Hydrogen_Bond_Acceptor_Count	1
55287240	Defined_Atom_Stereo_Count	0
8341	Covalent_Unit_Count	1
2724100	Undefined_Bond_Stereo_Count	0
10006	Tautomer_Count	8
487	Undefined_Atom_Stereo_Count	0
5311055	Hydrogen_Bond_Acceptor_Count	3
7571	Covalent_Unit_Count	1
96135	Tautomer_Count	12
7456	Structure_Complexity	136
78723	Rotatable_Bond_Count	3
42623223	Undefined_Bond_Stereo_Count	0
9866696	Non-hydrogen_Atom_Count	30
8205	Undefined_Bond_Stereo_Count	0
58044790	Exact_Mass	108.068748264
22168978	Molecular_Weight	103.08
2405	Isotope_Atom_Count	0
447715	Defined_Atom_Stereo_Count	11
18467387	Hydrogen_Bond_Donor_Count	2
45875	Defined_Bond_Stereo_Count	0
86254	Hydrogen_Bond_Acceptor_Count	1
13031981	Undefined_Atom_Stereo_Count	1
53678373	Non-hydrogen_Atom_Count	8
10044	Covalent_Unit_Count	1
449013	Tautomer_Count	2
257501	Isotope_Atom_Count	0
45120389	Structure_Complexity	113
133698931	Hydrogen_Bond_Acceptor_Count	23
12150354	Undefined_Bond_Stereo_Count	0
412163	Undefined_Bond_Stereo_Count	0
54677977	Rotatable_Bond_Count	2
21493122	Rotatable_Bond_Count	2
5246202	Molecular_Weight	290.23
8811	Molecular_Weight	264.32
61511	Hydrogen_Bond_Donor_Count	0
124886	Undefined_Atom_Stereo_Count	0
90184753	Hydrogen_Bond_Acceptor_Count	3
121098	Rotatable_Bond_Count	8
123298319	Non-hydrogen_Atom_Count	7
91488	Total_Formal_Charge	0
78318119	Undefined_Bond_Stereo_Count	0
533930	Defined_Atom_Stereo_Count	0
6453608	Tautomer_Count	1
33113	Undefined_Atom_Stereo_Count	0
631468	Undefined_Atom_Stereo_Count	0
628202	Hydrogen_Bond_Acceptor_Count	10
9577585	Hydrogen_Bond_Donor_Count	1
66184	Isotope_Atom_Count	0
9678	Isotope_Atom_Count	0
14805639	XLogP3-AA	1.6
88589623	Exact_Mass	665.30474055
8192	Molecular_Weight	204.78
63134	Isotope_Atom_Count	0
9830	Molecular_Weight	223.58
11917	Hydrogen_Bond_Acceptor_Count	1
440560	Rotatable_Bond_Count	5
160743752	Hydrogen_Bond_Donor_Count	0
44452442	TPSA	87.7
104944	Mono_Isotopic_Weight	94.041864811
8422	Mono_Isotopic_Weight	202.062994177
12444348	TPSA	20.2
6909	Exact_Mass	230.900524
98003	Hydrogen_Bond_Acceptor_Count	2
137071	Hydrogen_Bond_Donor_Count	1
7996	Molecular_Weight	104.15
17750123	Covalent_Unit_Count	1
28346	Structure_Complexity	432
107968	Molecular_Weight	205.28
118705472	Rotatable_Bond_Count	5
69685	Defined_Bond_Stereo_Count	0
33606	Covalent_Unit_Count	1
6441265	Tautomer_Count	1001
2787	Hydrogen_Bond_Acceptor_Count	6
11815293	TPSA	43.1
79123	Structure_Complexity	77.8
15793	Defined_Atom_Stereo_Count	0
71530	Total_Formal_Charge	1
45609	Molecular_Weight	1161.9
59704100	XLogP3-AA	0.4
57229732	Total_Formal_Charge	0
69299	Undefined_Bond_Stereo_Count	0
89175197	Rotatable_Bond_Count	0
6656	Covalent_Unit_Count	1
25273227	Hydrogen_Bond_Donor_Count	1
68791	Tautomer_Count	5
21702818	Mono_Isotopic_Weight	109.052763847
67873	Undefined_Atom_Stereo_Count	0
10758834	Covalent_Unit_Count	1
72257	TPSA	78.9
47519	Structure_Complexity	54
56834575	Hydrogen_Bond_Acceptor_Count	7
175586	Hydrogen_Bond_Acceptor_Count	10
8191	Hydrogen_Bond_Donor_Count	0
16627	Rotatable_Bond_Count	4
151446	Hydrogen_Bond_Donor_Count	5
82593536	Mono_Isotopic_Weight	102.068079557
1775	Non-hydrogen_Atom_Count	19
62873	Hydrogen_Bond_Acceptor_Count	6
73001175	Total_Formal_Charge	0
5460819	Isotope_Atom_Count	0
54328926	Defined_Bond_Stereo_Count	0
5327067	Total_Formal_Charge	0
9815418	TPSA	110
121755	Non-hydrogen_Atom_Count	7
110635	Defined_Atom_Stereo_Count	2
12460864	Defined_Bond_Stereo_Count	0
5320621	Defined_Bond_Stereo_Count	2
19101063	Defined_Atom_Stereo_Count	0
2518	Covalent_Unit_Count	1
71812105	Exact_Mass	291.18344366
74710	Non-hydrogen_Atom_Count	9
161664	Mono_Isotopic_Weight	439.36615904
3734	Molecular_Weight	777.1
44338979	Rotatable_Bond_Count	14
24654	Exact_Mass	50.048012819
4538	Non-hydrogen_Atom_Count	11
129318280	Hydrogen_Bond_Acceptor_Count	5
25217563	Undefined_Bond_Stereo_Count	0
12786810	Rotatable_Bond_Count	2
162501	Isotope_Atom_Count	0
550655	Covalent_Unit_Count	1
53993480	Covalent_Unit_Count	1
85032	Undefined_Bond_Stereo_Count	0
763185	Exact_Mass	254.178298710
10535	TPSA	43.1
12711598	Hydrogen_Bond_Acceptor_Count	2
44629714	Hydrogen_Bond_Donor_Count	5
15942852	Hydrogen_Bond_Acceptor_Count	3
59164	Mono_Isotopic_Weight	377.14092740
157365551	Molecular_Weight	284.35
35329	Defined_Bond_Stereo_Count	0
11088	Structure_Complexity	352
11051686	Isotope_Atom_Count	0
24867465	Hydrogen_Bond_Donor_Count	3
66753191	Undefined_Bond_Stereo_Count	1
5480431	Undefined_Bond_Stereo_Count	0
91623917	Covalent_Unit_Count	1
13245713	Total_Formal_Charge	0
150679	Isotope_Atom_Count	0
20253286	Hydrogen_Bond_Donor_Count	1
4029	Defined_Atom_Stereo_Count	0
7308	Hydrogen_Bond_Acceptor_Count	3
13104807	Undefined_Bond_Stereo_Count	0
123888456	Rotatable_Bond_Count	1
27016	Exact_Mass	283.157228913
11077530	Structure_Complexity	379
642633	Molecular_Weight	114.19
532	Hydrogen_Bond_Donor_Count	10
78320408	Covalent_Unit_Count	1
55119	Hydrogen_Bond_Acceptor_Count	1
14529853	Total_Formal_Charge	0
42665	Covalent_Unit_Count	1
91236903	Covalent_Unit_Count	1
119025724	Exact_Mass	909.93464
6399027	Structure_Complexity	140
19958	Rotatable_Bond_Count	2
60196297	Structure_Complexity	377
5353500	Non-hydrogen_Atom_Count	35
10877967	Non-hydrogen_Atom_Count	11
6436173	Structure_Complexity	1590
98044763	Hydrogen_Bond_Acceptor_Count	5
54793	Hydrogen_Bond_Donor_Count	0
45157475	Mono_Isotopic_Weight	585.24777486
131999	Exact_Mass	326.96354
7056	XLogP3	4.1
19935266	Undefined_Bond_Stereo_Count	0
12373717	Mono_Isotopic_Weight	114.068079557
119058385	Non-hydrogen_Atom_Count	28
11546620	Structure_Complexity	680
225703	Non-hydrogen_Atom_Count	18
10930	TPSA	43.1
5282438	Structure_Complexity	1060
94398	Covalent_Unit_Count	1
21687221	Structure_Complexity	125
66099	Tautomer_Count	10
88035683	TPSA	44.6
72196309	Undefined_Atom_Stereo_Count	1
227430	Non-hydrogen_Atom_Count	18
135747268	Exact_Mass	172.0403406
6643	Hydrogen_Bond_Donor_Count	1
8034	Tautomer_Count	3
9793705	Structure_Complexity	78.1
111509	Defined_Bond_Stereo_Count	0
71454296	Defined_Atom_Stereo_Count	1
11761584	Covalent_Unit_Count	1
14169893	Undefined_Atom_Stereo_Count	0
9416	Total_Formal_Charge	0
91513	Undefined_Bond_Stereo_Count	0
10527347	Molecular_Weight	446.4
87114	Non-hydrogen_Atom_Count	17
123468130	Defined_Atom_Stereo_Count	0
54587760	Hydrogen_Bond_Donor_Count	1
10540046	Molecular_Weight	271.34
67522	Hydrogen_Bond_Donor_Count	2
10767	Hydrogen_Bond_Donor_Count	0
15748	Undefined_Atom_Stereo_Count	1
15184917	Hydrogen_Bond_Donor_Count	1
136069	Exact_Mass	130.053098200
2161	Isotope_Atom_Count	0
20336998	Mono_Isotopic_Weight	101.120449483
10267087	Hydrogen_Bond_Acceptor_Count	5
10343454	XLogP3-AA	4.6
57394598	Undefined_Atom_Stereo_Count	0
45358001	Total_Formal_Charge	0
23207045	Covalent_Unit_Count	1
19604274	TPSA	67.4
21942008	Undefined_Bond_Stereo_Count	0
84363	Mono_Isotopic_Weight	350.0855767
159968	Defined_Atom_Stereo_Count	0
24848232	Defined_Bond_Stereo_Count	0
20453897	Undefined_Bond_Stereo_Count	0
11123757	Defined_Atom_Stereo_Count	0
13662	TPSA	37.4
19674	XLogP3-AA	3.9
12865495	Defined_Bond_Stereo_Count	0
24825268	Isotope_Atom_Count	0
5283313	Mono_Isotopic_Weight	116.083729621
3878721	TPSA	176
70755	Undefined_Atom_Stereo_Count	0
70697352	Defined_Bond_Stereo_Count	0
146159565	Exact_Mass	515.25191714
63400	Defined_Atom_Stereo_Count	0
23665765	Hydrogen_Bond_Donor_Count	0
9989023	Defined_Atom_Stereo_Count	6
129009909	Mono_Isotopic_Weight	665.30474055
129801083	Molecular_Weight	82.10
53669425	Exact_Mass	259.06095954
3001376	Rotatable_Bond_Count	13
13238893	Mono_Isotopic_Weight	189.07653381
2741	Defined_Atom_Stereo_Count	0
223866	Defined_Atom_Stereo_Count	0
122389028	Undefined_Bond_Stereo_Count	0
74802	Undefined_Bond_Stereo_Count	0
9862634	Isotope_Atom_Count	0
9482	Defined_Atom_Stereo_Count	0
10855394	Undefined_Atom_Stereo_Count	0
15950376	Covalent_Unit_Count	1
656495	Hydrogen_Bond_Donor_Count	7
12002774	TPSA	17.8
5323977	Molecular_Weight	114.10
56950732	Total_Formal_Charge	0
535188	Covalent_Unit_Count	1
14081	Molecular_Weight	110.16
53881088	TPSA	57.9
43966	Rotatable_Bond_Count	4
59157244	Exact_Mass	114.104465066
4262071	Defined_Bond_Stereo_Count	0
306917	Total_Formal_Charge	0
91302186	Defined_Atom_Stereo_Count	0
15133384	Non-hydrogen_Atom_Count	31
11620576	Hydrogen_Bond_Donor_Count	3
12818200	Mono_Isotopic_Weight	366.16132849
134688044	Hydrogen_Bond_Acceptor_Count	3
5315472	Total_Formal_Charge	0
176505	Defined_Atom_Stereo_Count	0
5280891	XLogP3-AA	2.6
139133	Covalent_Unit_Count	1
534610	Mono_Isotopic_Weight	114.104465066
53563	Non-hydrogen_Atom_Count	19
2863	Undefined_Atom_Stereo_Count	6
9359	Hydrogen_Bond_Acceptor_Count	0
159278	Structure_Complexity	306
71583377	Undefined_Atom_Stereo_Count	0
77077	Hydrogen_Bond_Acceptor_Count	0
140473289	Molecular_Weight	1202.6
3272524	Exact_Mass	336.01645516
6993773	Mono_Isotopic_Weight	135.104799419
46863	Exact_Mass	234.961448
7370	Mono_Isotopic_Weight	157.01974964
15965	Covalent_Unit_Count	1
86308705	Isotope_Atom_Count	0
45358180	TPSA	222
16051	Hydrogen_Bond_Donor_Count	0
91822	Undefined_Bond_Stereo_Count	0
3424	Defined_Atom_Stereo_Count	0
3015	Covalent_Unit_Count	1
45120389	Undefined_Atom_Stereo_Count	2
123668737	Exact_Mass	114.042927438
1252759	Hydrogen_Bond_Donor_Count	0
37616	Structure_Complexity	320
136870	Exact_Mass	96.093900383
34260	Undefined_Atom_Stereo_Count	2
177843	Molecular_Weight	404.1
15269993	Hydrogen_Bond_Donor_Count	1
3015569	Defined_Bond_Stereo_Count	0
60150535	Undefined_Atom_Stereo_Count	0
22258	Hydrogen_Bond_Donor_Count	0
2440	XLogP3	2.1
7077	Structure_Complexity	235
25418	Exact_Mass	88.063662883
22466500	Hydrogen_Bond_Acceptor_Count	3
32427	Structure_Complexity	382
3035467	Structure_Complexity	136
441278	Exact_Mass	285.209264485
53863747	Defined_Bond_Stereo_Count	0
3032536	Covalent_Unit_Count	3
76963096	Mono_Isotopic_Weight	488.10733165
4112	Non-hydrogen_Atom_Count	33
10996972	Defined_Atom_Stereo_Count	0
5280633	Covalent_Unit_Count	1
14660056	Molecular_Weight	102.13
12481	Hydrogen_Bond_Donor_Count	1
23685289	TPSA	58.4
4308	TPSA	75.6
213043	Structure_Complexity	515
44521018	Total_Formal_Charge	0
5935	Molecular_Weight	192.5
4271	Non-hydrogen_Atom_Count	31
12354987	Defined_Bond_Stereo_Count	0
24848177	Defined_Bond_Stereo_Count	1
164034646	Mono_Isotopic_Weight	100.063662883
69170	Non-hydrogen_Atom_Count	16
350	Mono_Isotopic_Weight	343.08546021
243274	Non-hydrogen_Atom_Count	21
15993	Non-hydrogen_Atom_Count	30
99564	Molecular_Weight	137.18
10307849	Undefined_Atom_Stereo_Count	0
97865	Non-hydrogen_Atom_Count	26
779	Total_Formal_Charge	0
558502	Non-hydrogen_Atom_Count	8
817	Total_Formal_Charge	0
11412356	Hydrogen_Bond_Acceptor_Count	2
21354407	XLogP3-AA	3.3
135506152	Undefined_Atom_Stereo_Count	0
81569	Tautomer_Count	1
6918191	Covalent_Unit_Count	1
14359581	Molecular_Weight	109.13
6297	Undefined_Atom_Stereo_Count	0
75282141	Hydrogen_Bond_Donor_Count	0
23668002	Total_Formal_Charge	0
68384915	TPSA	57.2
25102720	Total_Formal_Charge	0
5325504	Isotope_Atom_Count	0
21792546	Non-hydrogen_Atom_Count	18
43261	Isotope_Atom_Count	0
46912230	Total_Formal_Charge	0
15720326	Rotatable_Bond_Count	3
126997316	Defined_Bond_Stereo_Count	0
4442	XLogP3-AA	2.2
5355457	Covalent_Unit_Count	1
61701	Structure_Complexity	208
2303651	Undefined_Bond_Stereo_Count	0
28315	Undefined_Atom_Stereo_Count	0
43184	Undefined_Bond_Stereo_Count	0
601163	Non-hydrogen_Atom_Count	16
644006	Undefined_Bond_Stereo_Count	0
135177	Hydrogen_Bond_Acceptor_Count	3
65583	Molecular_Weight	422.3
44563067	Hydrogen_Bond_Acceptor_Count	6
159296	Molecular_Weight	427.20
19428628	Total_Formal_Charge	0
60155274	XLogP3-AA	1.8
54305717	Undefined_Bond_Stereo_Count	0
11829356	TPSA	29.5
249266	XLogP3	4.5
347	Mono_Isotopic_Weight	286.10525291
5281771	Structure_Complexity	1230
91429	Structure_Complexity	457
70688570	Molecular_Weight	385.4
6741	Total_Formal_Charge	0
95162413	Mono_Isotopic_Weight	342.11621151
141103237	Exact_Mass	116.083729621
3084049	Covalent_Unit_Count	2
1416277	Non-hydrogen_Atom_Count	6
95258	Covalent_Unit_Count	1
23714994	Defined_Atom_Stereo_Count	0
403016	Structure_Complexity	775
70002683	Non-hydrogen_Atom_Count	7
79619	Mono_Isotopic_Weight	157.052763847
20491	Hydrogen_Bond_Acceptor_Count	3
522417	Rotatable_Bond_Count	5
45933886	Rotatable_Bond_Count	1
5311067	Hydrogen_Bond_Donor_Count	2
96570	Exact_Mass	272.01188512
4038	Tautomer_Count	4
140359629	Defined_Atom_Stereo_Count	0
60947	Tautomer_Count	1
142552	Non-hydrogen_Atom_Count	8
15969	Isotope_Atom_Count	0
1728	Defined_Atom_Stereo_Count	0
459971	Mono_Isotopic_Weight	376.19106883
111036	Tautomer_Count	1
78858	Isotope_Atom_Count	0
24191	Undefined_Bond_Stereo_Count	1
11917	Isotope_Atom_Count	0
8491	Hydrogen_Bond_Donor_Count	0
15206928	Isotope_Atom_Count	0
4346	Undefined_Bond_Stereo_Count	0
129627923	Exact_Mass	271.99333348
17458	Molecular_Weight	386.4
691409	Hydrogen_Bond_Acceptor_Count	5
121290492	Hydrogen_Bond_Donor_Count	8
11961423	Structure_Complexity	76.8
135418174	Defined_Bond_Stereo_Count	0
24901285	Exact_Mass	545.1306684
24917002	Undefined_Atom_Stereo_Count	0
57004	Molecular_Weight	218.63
11203271	Covalent_Unit_Count	1
70106	Exact_Mass	98.073164938
5284421	TPSA	26.3
118797420	Rotatable_Bond_Count	1
12288423	Hydrogen_Bond_Acceptor_Count	1
162883452	Non-hydrogen_Atom_Count	36
10271800	TPSA	86.5
10497540	Non-hydrogen_Atom_Count	25
547935	Hydrogen_Bond_Donor_Count	1
12056759	Undefined_Bond_Stereo_Count	0
11637983	Rotatable_Bond_Count	3
5385314	Exact_Mass	170.05790880
565684	Non-hydrogen_Atom_Count	14
548989	Defined_Atom_Stereo_Count	0
135498233	Defined_Atom_Stereo_Count	0
2521	Non-hydrogen_Atom_Count	45
968	Undefined_Bond_Stereo_Count	0
54434340	Isotope_Atom_Count	0
8254	Exact_Mass	46.041864811
53384934	Rotatable_Bond_Count	3
83247	Defined_Atom_Stereo_Count	0
24875236	Exact_Mass	363.14839556
3035240	Defined_Bond_Stereo_Count	0
689750	XLogP3-AA	2.1
37144	Undefined_Atom_Stereo_Count	0
13017912	TPSA	164
13757192	Non-hydrogen_Atom_Count	8
65576	Covalent_Unit_Count	1
20093425	Defined_Bond_Stereo_Count	0
136703	Non-hydrogen_Atom_Count	8
23662389	Molecular_Weight	361.31
30380	Defined_Atom_Stereo_Count	0
350667	Molecular_Weight	87.12
18794	Undefined_Atom_Stereo_Count	0
15272297	Undefined_Atom_Stereo_Count	0
5284360	Isotope_Atom_Count	0
56841603	Total_Formal_Charge	0
3858	Hydrogen_Bond_Donor_Count	2
5284542	Non-hydrogen_Atom_Count	19
461399	Rotatable_Bond_Count	3
6951129	Exact_Mass	165.115364102
46783864	Hydrogen_Bond_Acceptor_Count	4
95433	Rotatable_Bond_Count	2
6536864	Defined_Bond_Stereo_Count	1
46936966	Undefined_Atom_Stereo_Count	0
1103	Exact_Mass	202.21574685
68081017	TPSA	20.2
91302105	Hydrogen_Bond_Acceptor_Count	2
24892842	Undefined_Atom_Stereo_Count	1
91022475	Non-hydrogen_Atom_Count	8
13236258	Mono_Isotopic_Weight	99.068413911
124524515	Undefined_Bond_Stereo_Count	0
1942902	TPSA	69.1
91181590	Mono_Isotopic_Weight	303.14705815
12599352	XLogP3-AA	0.5
1954	Covalent_Unit_Count	1
9256	Non-hydrogen_Atom_Count	5
54373	Non-hydrogen_Atom_Count	79
278	Molecular_Weight	141.02
15659	Isotope_Atom_Count	0
135408763	Rotatable_Bond_Count	0
22836366	Covalent_Unit_Count	1
72725	Molecular_Weight	212.20
35492	Covalent_Unit_Count	1
4564493	TPSA	46.5
46942544	Mono_Isotopic_Weight	332.11071051
839431	Hydrogen_Bond_Donor_Count	2
287442	TPSA	148
26009888	Rotatable_Bond_Count	0
126830	TPSA	46.5
129735833	Non-hydrogen_Atom_Count	11
58463204	Isotope_Atom_Count	0
3021	Rotatable_Bond_Count	6
13736254	Covalent_Unit_Count	1
71451733	Rotatable_Bond_Count	4
160430	TPSA	84.6
5727	Molecular_Weight	136.3
13049377	Mono_Isotopic_Weight	114.068079557
66255	Tautomer_Count	8
443372	Hydrogen_Bond_Acceptor_Count	4
213039	Exact_Mass	547.23522170
4678317	Hydrogen_Bond_Acceptor_Count	1
70309	Non-hydrogen_Atom_Count	12
5323927	Covalent_Unit_Count	1
5489948	Defined_Atom_Stereo_Count	2
76985	Hydrogen_Bond_Acceptor_Count	2
638079	Exact_Mass	110.109550447
4247	Isotope_Atom_Count	0
87280117	TPSA	58.9
7216	Total_Formal_Charge	0
32439	Isotope_Atom_Count	0
88273595	Mono_Isotopic_Weight	116.058577502
138510	Isotope_Atom_Count	0
6875	Defined_Atom_Stereo_Count	0
43262	TPSA	80.6
71228	Tautomer_Count	6
174512	Tautomer_Count	1
137426	Hydrogen_Bond_Acceptor_Count	1
162291	TPSA	52.6
3406	Hydrogen_Bond_Acceptor_Count	1
11598	Total_Formal_Charge	0
164888	Undefined_Atom_Stereo_Count	0
83996	TPSA	122
11027	Molecular_Weight	152.23
6433556	Rotatable_Bond_Count	17
3082131	Isotope_Atom_Count	0
19063438	Non-hydrogen_Atom_Count	8
13602	Defined_Atom_Stereo_Count	0
155290	Undefined_Bond_Stereo_Count	0
5342002	Hydrogen_Bond_Donor_Count	0
22717351	Structure_Complexity	72.1
360901	Structure_Complexity	988
446	Hydrogen_Bond_Donor_Count	2
703128	Mono_Isotopic_Weight	287.15214353
24829330	Hydrogen_Bond_Donor_Count	3
135408714	Defined_Atom_Stereo_Count	0
8834	Exact_Mass	212.177630004
11298500	Mono_Isotopic_Weight	194.167065321
34927	Undefined_Atom_Stereo_Count	0
549318	Exact_Mass	96.057514874
53997645	Rotatable_Bond_Count	2
1810216	Mono_Isotopic_Weight	84.032362755
95578	Exact_Mass	208.00989
3710788	Defined_Bond_Stereo_Count	0
7694	Exact_Mass	149.120449483
9530	Undefined_Bond_Stereo_Count	0
22811	Hydrogen_Bond_Acceptor_Count	2
68837	Isotope_Atom_Count	0
382975	Undefined_Atom_Stereo_Count	1
90397060	Rotatable_Bond_Count	15
86278348	Rotatable_Bond_Count	11
335	Defined_Bond_Stereo_Count	0
91902981	Covalent_Unit_Count	1
6427071	Molecular_Weight	194.27
15567528	Hydrogen_Bond_Donor_Count	2
9641	Structure_Complexity	200
642801	Undefined_Bond_Stereo_Count	0
70276990	Undefined_Atom_Stereo_Count	0
13327310	XLogP3-AA	0.2
12669	Tautomer_Count	1
801111	Hydrogen_Bond_Acceptor_Count	5
11532527	Undefined_Bond_Stereo_Count	0
23723057	Mono_Isotopic_Weight	274.9752131
12820525	Non-hydrogen_Atom_Count	7
10292887	Undefined_Atom_Stereo_Count	0
5062	Mono_Isotopic_Weight	420.14203234
89374440	Isotope_Atom_Count	0
10233356	Isotope_Atom_Count	0
8430	Covalent_Unit_Count	1
12365604	Hydrogen_Bond_Acceptor_Count	4
1892	Exact_Mass	224.09094026
44560703	Mono_Isotopic_Weight	331.09906259
12527	Rotatable_Bond_Count	4
82362	Non-hydrogen_Atom_Count	46
6918242	Total_Formal_Charge	0
44563178	Rotatable_Bond_Count	5
43432	Covalent_Unit_Count	1
8617	XLogP3	2.3
11243536	TPSA	32.3
3478	Rotatable_Bond_Count	7
45488116	Isotope_Atom_Count	0
136433	Defined_Atom_Stereo_Count	0
3016738	Undefined_Bond_Stereo_Count	0
6453528	Non-hydrogen_Atom_Count	21
132586824	Rotatable_Bond_Count	3
42006	Rotatable_Bond_Count	2
33606	Structure_Complexity	234
41515	Hydrogen_Bond_Acceptor_Count	0
5280804	Rotatable_Bond_Count	4
22990584	Undefined_Bond_Stereo_Count	0
22674	Rotatable_Bond_Count	6
75220691	Rotatable_Bond_Count	9
118121642	Hydrogen_Bond_Acceptor_Count	2
70689351	Isotope_Atom_Count	0
12754038	Non-hydrogen_Atom_Count	8
7503	Total_Formal_Charge	0
2724055	Undefined_Atom_Stereo_Count	0
21513403	Defined_Bond_Stereo_Count	0
91290078	Hydrogen_Bond_Acceptor_Count	1
90579	Covalent_Unit_Count	1
91230338	Isotope_Atom_Count	0
56974851	Hydrogen_Bond_Acceptor_Count	3
137747	Covalent_Unit_Count	1
13342	Hydrogen_Bond_Acceptor_Count	12
78485	Total_Formal_Charge	0
59167199	Molecular_Weight	110.20
533884	Molecular_Weight	99.17
137955303	Mono_Isotopic_Weight	109.052763847
22000495	Exact_Mass	101.047678466
83904778	Total_Formal_Charge	0
53674	Structure_Complexity	328
17571562	Non-hydrogen_Atom_Count	47
92139	Non-hydrogen_Atom_Count	15
18062	Structure_Complexity	167
11094960	Structure_Complexity	121
701718	Hydrogen_Bond_Acceptor_Count	5
59933239	Defined_Bond_Stereo_Count	0
71897	Non-hydrogen_Atom_Count	21
72165	Molecular_Weight	284.35
5778	Isotope_Atom_Count	0
164084939	Isotope_Atom_Count	0
44562738	Undefined_Atom_Stereo_Count	0
134393564	Rotatable_Bond_Count	2
643327	Total_Formal_Charge	0
98070685	Tautomer_Count	1
129317883	Undefined_Atom_Stereo_Count	1
10110	XLogP3-AA	0.3
51683	TPSA	63.9
213021	Structure_Complexity	280
4667	Hydrogen_Bond_Donor_Count	2
64510	Hydrogen_Bond_Acceptor_Count	4
21917690	TPSA	27.7
68681268	Non-hydrogen_Atom_Count	32
151205	Undefined_Bond_Stereo_Count	0
14373	Total_Formal_Charge	0
66071	Exact_Mass	88.100048391
22082547	Hydrogen_Bond_Donor_Count	0
20769610	Non-hydrogen_Atom_Count	8
50925404	XLogP3-AA	3.7
146571	TPSA	111
53318409	Rotatable_Bond_Count	3
5328791	Isotope_Atom_Count	0
85645107	Total_Formal_Charge	0
60710317	XLogP3-AA	0.1
40550	Defined_Atom_Stereo_Count	0
8454	Defined_Atom_Stereo_Count	0
70482	TPSA	29.1
9128	Defined_Atom_Stereo_Count	0
59693	Hydrogen_Bond_Donor_Count	0
22737404	Rotatable_Bond_Count	6
12452075	Mono_Isotopic_Weight	94.041864811
4640	Defined_Atom_Stereo_Count	0
22386270	TPSA	44.3
441921	Structure_Complexity	1700
15197399	TPSA	40.4
25429	Tautomer_Count	3
5284656	Non-hydrogen_Atom_Count	13
11477652	Defined_Atom_Stereo_Count	0
118388035	TPSA	104
162918373	Isotope_Atom_Count	0
68009	Rotatable_Bond_Count	1
87505	Defined_Atom_Stereo_Count	1
11198626	Hydrogen_Bond_Acceptor_Count	4
16543	Rotatable_Bond_Count	0
13225428	Undefined_Atom_Stereo_Count	1
34328	Undefined_Atom_Stereo_Count	0
53736	Covalent_Unit_Count	1
12867435	Structure_Complexity	97.2
11412355	Defined_Bond_Stereo_Count	0
123316507	Mono_Isotopic_Weight	1201.84136802
11115809	TPSA	235
107999	Mono_Isotopic_Weight	315.1138399
154	Structure_Complexity	413
97727	Rotatable_Bond_Count	2
24350	Mono_Isotopic_Weight	189.83407
135437	Exact_Mass	183.06604493
3139	Rotatable_Bond_Count	3
6437875	Undefined_Bond_Stereo_Count	0
5281082	Molecular_Weight	643.7
71777705	Covalent_Unit_Count	1
135413497	Total_Formal_Charge	0
37239	Undefined_Bond_Stereo_Count	0
54755438	XLogP3-AA	3
444746	Undefined_Atom_Stereo_Count	0
347748	Hydrogen_Bond_Donor_Count	1
8773	Hydrogen_Bond_Acceptor_Count	9
16005261	Hydrogen_Bond_Acceptor_Count	2
11240435	Total_Formal_Charge	0
12688299	Covalent_Unit_Count	1
66553195	Molecular_Weight	386.6
35136	Total_Formal_Charge	0
159661	Tautomer_Count	1
6613	Mono_Isotopic_Weight	219.11067264
5708528	Non-hydrogen_Atom_Count	10
74825	Mono_Isotopic_Weight	243.901449
14917	Non-hydrogen_Atom_Count	1
79724	Hydrogen_Bond_Donor_Count	2
123451	Defined_Bond_Stereo_Count	0
21093784	Rotatable_Bond_Count	5
198695	XLogP3-AA	0
136888	Covalent_Unit_Count	1
159982	Molecular_Weight	394.4
48305	Total_Formal_Charge	0
10130360	Hydrogen_Bond_Acceptor_Count	4
3554	Hydrogen_Bond_Donor_Count	3
5362894	Structure_Complexity	95.4
9796408	Undefined_Bond_Stereo_Count	0
60063	Exact_Mass	365.0942473
9846588	Structure_Complexity	573
75864	XLogP3-AA	1.2
6435836	Defined_Atom_Stereo_Count	0
64964	Hydrogen_Bond_Donor_Count	4
533909	Isotope_Atom_Count	0
694857	Rotatable_Bond_Count	5
133655777	Isotope_Atom_Count	0
10534635	Structure_Complexity	98.3
16136	TPSA	0
5343	XLogP3-AA	1.2
903675	Undefined_Atom_Stereo_Count	0
9596	Covalent_Unit_Count	1
73357703	Hydrogen_Bond_Donor_Count	1
1615208	TPSA	70.1
19768091	Rotatable_Bond_Count	2
4423	Mono_Isotopic_Weight	311.15214353
58657603	TPSA	98.7
4807	Undefined_Atom_Stereo_Count	0
58247682	Defined_Bond_Stereo_Count	0
25014762	Rotatable_Bond_Count	6
90817017	Non-hydrogen_Atom_Count	20
284980	Isotope_Atom_Count	0
11236353	Rotatable_Bond_Count	8
13314	Exact_Mass	334.0275830
135413552	Total_Formal_Charge	0
18728219	Rotatable_Bond_Count	1
51029782	Total_Formal_Charge	0
56840877	Molecular_Weight	371.25
60148432	Defined_Atom_Stereo_Count	0
23982	Mono_Isotopic_Weight	157.92411
94179	Hydrogen_Bond_Acceptor_Count	3
535805	Undefined_Bond_Stereo_Count	0
20729555	Undefined_Bond_Stereo_Count	0
69818	Undefined_Atom_Stereo_Count	0
644109	TPSA	389
136375	Non-hydrogen_Atom_Count	7
2741	Defined_Bond_Stereo_Count	0
3297	Defined_Bond_Stereo_Count	0
3094	XLogP3-AA	6.6
83619503	Undefined_Bond_Stereo_Count	0
16122643	Exact_Mass	333.0628670
59432048	Hydrogen_Bond_Acceptor_Count	4
11461044	Hydrogen_Bond_Acceptor_Count	5
36185	Undefined_Atom_Stereo_Count	0
154095	Non-hydrogen_Atom_Count	37
23667303	Isotope_Atom_Count	0
8073	TPSA	26.3
173058	Undefined_Bond_Stereo_Count	0
12082259	Total_Formal_Charge	0
733076	Undefined_Atom_Stereo_Count	0
682529	Exact_Mass	273.08234989
25101755	Structure_Complexity	705
77022	Mono_Isotopic_Weight	193.93410
23672325	Defined_Atom_Stereo_Count	0
54601151	Total_Formal_Charge	0
55752	Exact_Mass	440.22459745
6924	Structure_Complexity	217
40463608	Structure_Complexity	102
411	Mono_Isotopic_Weight	353.13487601
18195	Covalent_Unit_Count	1
97698	Non-hydrogen_Atom_Count	14
12687	Defined_Bond_Stereo_Count	0
9064	XLogP3	0.4
49865355	Defined_Bond_Stereo_Count	0
447234	Hydrogen_Bond_Acceptor_Count	4
147707445	Covalent_Unit_Count	1
23541	Hydrogen_Bond_Acceptor_Count	4
123561814	Defined_Bond_Stereo_Count	0
74320	Exact_Mass	412.84097
9823887	Non-hydrogen_Atom_Count	30
6763	Undefined_Bond_Stereo_Count	0
12358890	Rotatable_Bond_Count	8
722	Molecular_Weight	194.14
53469448	TPSA	77
15109	Covalent_Unit_Count	1
5480	Rotatable_Bond_Count	5
53380818	Covalent_Unit_Count	1
24083	Total_Formal_Charge	0
12842	Rotatable_Bond_Count	2
57358782	Undefined_Atom_Stereo_Count	0
16759993	Defined_Atom_Stereo_Count	2
68778068	Hydrogen_Bond_Donor_Count	2
10898650	Hydrogen_Bond_Donor_Count	0
520217	Hydrogen_Bond_Acceptor_Count	5
16212773	Structure_Complexity	382
142034647	Hydrogen_Bond_Acceptor_Count	2
23350	XLogP3-AA	0
6437808	Undefined_Bond_Stereo_Count	0
7095	XLogP3	4
29773	Tautomer_Count	1
34208	Non-hydrogen_Atom_Count	20
23422050	Covalent_Unit_Count	1
146159775	Total_Formal_Charge	0
232080	Rotatable_Bond_Count	4
12358970	Undefined_Atom_Stereo_Count	0
6844	Mono_Isotopic_Weight	188.047344113
9898279	Isotope_Atom_Count	0
3721	Molecular_Weight	240.15
57396607	Molecular_Weight	465.5
16726085	Isotope_Atom_Count	0
94310	Mono_Isotopic_Weight	234.161979940
14206225	Mono_Isotopic_Weight	100.052429494
4838	Molecular_Weight	165.21
18850	Molecular_Weight	82.14
78373	Isotope_Atom_Count	0
5702698	Defined_Bond_Stereo_Count	3
10979337	Structure_Complexity	345
448043	Exact_Mass	319.13544809
27665	XLogP3	2.7
12386877	Undefined_Bond_Stereo_Count	0
1769	Defined_Atom_Stereo_Count	0
143009217	Rotatable_Bond_Count	0
21275073	Mono_Isotopic_Weight	80.026214747
17778385	TPSA	38.6
131270	Hydrogen_Bond_Donor_Count	0
10920480	Hydrogen_Bond_Donor_Count	0
6858	Hydrogen_Bond_Acceptor_Count	4
546902	Defined_Bond_Stereo_Count	0
570603	Molecular_Weight	106.13
13737991	Exact_Mass	88.052429494
91746262	Exact_Mass	342.11621151
161094261	TPSA	0
16318	XLogP3	8.3
23693089	Defined_Bond_Stereo_Count	0
5281672	Total_Formal_Charge	0
19040	Defined_Atom_Stereo_Count	0
24916993	Undefined_Bond_Stereo_Count	0
43454	Undefined_Atom_Stereo_Count	0
9266	Undefined_Bond_Stereo_Count	0
6473883	Structure_Complexity	1300
57242	TPSA	55
1893	Total_Formal_Charge	0
15858955	Defined_Bond_Stereo_Count	1
58528	Hydrogen_Bond_Donor_Count	1
20633892	Mono_Isotopic_Weight	112.088815002
3908	Exact_Mass	496.26070817
373949	Structure_Complexity	193
129628202	Hydrogen_Bond_Acceptor_Count	25
25201614	XLogP3-AA	0.7
19815249	Defined_Atom_Stereo_Count	0
46218908	Covalent_Unit_Count	1
129491	Covalent_Unit_Count	1
12293	Molecular_Weight	158.24
10262683	Isotope_Atom_Count	0
9543216	Rotatable_Bond_Count	0
31378	XLogP3	1.7
97006	Tautomer_Count	2
413546	Covalent_Unit_Count	1
5464190	Structure_Complexity	869
151404	TPSA	40.9
71583274	Hydrogen_Bond_Donor_Count	2
61534	Hydrogen_Bond_Acceptor_Count	2
12702817	XLogP3-AA	1
42626680	Mono_Isotopic_Weight	180.06338810
193972	Tautomer_Count	2
138579	Defined_Atom_Stereo_Count	0
69270	Non-hydrogen_Atom_Count	10
46625	Undefined_Atom_Stereo_Count	0
3229	TPSA	85.8
18755330	Hydrogen_Bond_Donor_Count	2
131750287	Isotope_Atom_Count	0
12321786	Rotatable_Bond_Count	3
53387026	Total_Formal_Charge	0
91143491	Structure_Complexity	97.1
94834	Non-hydrogen_Atom_Count	13
140342802	Hydrogen_Bond_Acceptor_Count	2
32798	Mono_Isotopic_Weight	466.1922300
44519	Exact_Mass	351.10591
640997	Exact_Mass	106.062994177
925852	Total_Formal_Charge	0
62086	Defined_Bond_Stereo_Count	0
101675604	Mono_Isotopic_Weight	663.36079323
9821945	Total_Formal_Charge	0
53702849	Mono_Isotopic_Weight	101.047678466
70689318	Defined_Bond_Stereo_Count	0
68870	TPSA	95.1
49659	Defined_Bond_Stereo_Count	0
58883	Undefined_Bond_Stereo_Count	0
62388	Hydrogen_Bond_Donor_Count	0
18936580	Undefined_Atom_Stereo_Count	0
6842999	Hydrogen_Bond_Donor_Count	0
2950	Defined_Atom_Stereo_Count	0
9286	Molecular_Weight	195.24
19979685	Non-hydrogen_Atom_Count	8
3086167	Undefined_Atom_Stereo_Count	0
443872	Total_Formal_Charge	0
27712	Covalent_Unit_Count	1
11454	Undefined_Atom_Stereo_Count	1
53765848	Hydrogen_Bond_Donor_Count	0
54353965	Hydrogen_Bond_Donor_Count	0
17833	Defined_Atom_Stereo_Count	0
23694671	Hydrogen_Bond_Acceptor_Count	2
138076	Structure_Complexity	60.1
223407	Non-hydrogen_Atom_Count	21
102483	Tautomer_Count	1
9973	Covalent_Unit_Count	1
5388957	Undefined_Atom_Stereo_Count	0
16667503	Undefined_Bond_Stereo_Count	0
9577221	Undefined_Atom_Stereo_Count	0
76658	Isotope_Atom_Count	0
92272	Non-hydrogen_Atom_Count	16
123610	Undefined_Atom_Stereo_Count	5
41211	Undefined_Bond_Stereo_Count	0
258383	Exact_Mass	95.073499291
44453028	Structure_Complexity	814
88482362	Hydrogen_Bond_Donor_Count	0
24781	Non-hydrogen_Atom_Count	7
6847	Hydrogen_Bond_Acceptor_Count	2
8877	Structure_Complexity	228
133109195	Hydrogen_Bond_Acceptor_Count	9
139087298	TPSA	89.7
66485	Non-hydrogen_Atom_Count	20
73330464	TPSA	90
413728	Undefined_Bond_Stereo_Count	0
338733	Hydrogen_Bond_Donor_Count	1
62753	Non-hydrogen_Atom_Count	31
130035834	Exact_Mass	100.052429494
66704467	Exact_Mass	272.02893460
20827794	Defined_Bond_Stereo_Count	0
572852	Hydrogen_Bond_Donor_Count	1
44560808	TPSA	148
10208	Undefined_Bond_Stereo_Count	0
414248	Total_Formal_Charge	1
71433469	Hydrogen_Bond_Acceptor_Count	2
5281764	Undefined_Bond_Stereo_Count	0
48918	Non-hydrogen_Atom_Count	20
68266	Defined_Atom_Stereo_Count	0
6321253	Hydrogen_Bond_Acceptor_Count	2
6450478	Exact_Mass	340.08163887
34533	Rotatable_Bond_Count	3
43295	Non-hydrogen_Atom_Count	23
136316	Exact_Mass	110.109550447
81358402	Structure_Complexity	96.6
57353643	Molecular_Weight	317.4
2604	Hydrogen_Bond_Acceptor_Count	4
12553930	Defined_Atom_Stereo_Count	0
446257	Defined_Atom_Stereo_Count	0
73945	Undefined_Bond_Stereo_Count	0
456390	Exact_Mass	413.01418
104123	Structure_Complexity	156
248703	Total_Formal_Charge	0
829795	XLogP3-AA	0.4
4633677	Hydrogen_Bond_Acceptor_Count	5
65923	Total_Formal_Charge	0
19176	Exact_Mass	205.019183
153270	Tautomer_Count	48
41386	Hydrogen_Bond_Donor_Count	1
18470	TPSA	0
5942099	Undefined_Atom_Stereo_Count	1
413547	Rotatable_Bond_Count	5
54598431	Hydrogen_Bond_Acceptor_Count	4
134715456	Structure_Complexity	639
6061	TPSA	38
21285	Isotope_Atom_Count	0
703965	Covalent_Unit_Count	1
208898	TPSA	97.2
20517177	Undefined_Atom_Stereo_Count	0
105035	Tautomer_Count	5
5367805	Hydrogen_Bond_Donor_Count	2
72487	Defined_Bond_Stereo_Count	0
124526411	Hydrogen_Bond_Donor_Count	8
638278	TPSA	77.8
56659	TPSA	49.8
143852	Structure_Complexity	91.2
4369084	Structure_Complexity	477
444655	Exact_Mass	121.076573296
3420996	Isotope_Atom_Count	0
94866	Undefined_Bond_Stereo_Count	0
4768	Undefined_Atom_Stereo_Count	1
162127	Defined_Bond_Stereo_Count	0
54413601	Hydrogen_Bond_Donor_Count	0
44578616	Isotope_Atom_Count	0
123271707	Covalent_Unit_Count	1
5312	Structure_Complexity	183
17805735	Exact_Mass	96.068748264
105427064	Molecular_Weight	116.11
15683	Covalent_Unit_Count	1
71593	Mono_Isotopic_Weight	149.07014524
91756	Molecular_Weight	410.4
58774648	Isotope_Atom_Count	0
759785	TPSA	114
10058	TPSA	121
18713001	Mono_Isotopic_Weight	99.104799419
9650	Tautomer_Count	3
3310	Molecular_Weight	588.6
78607	XLogP3-AA	1.2
85693614	Molecular_Weight	117.15
84647732	Undefined_Atom_Stereo_Count	1
247704	TPSA	72.7
5309581	TPSA	104
153929914	Defined_Atom_Stereo_Count	0
6712980	Covalent_Unit_Count	1
22833567	Exact_Mass	318.255880323
3037705	Mono_Isotopic_Weight	302.224580195
24883439	Defined_Atom_Stereo_Count	0
3033151	Defined_Bond_Stereo_Count	0
90169	Hydrogen_Bond_Acceptor_Count	6
516356	Structure_Complexity	904
6883	Undefined_Atom_Stereo_Count	0
8747	Hydrogen_Bond_Acceptor_Count	2
10129	Undefined_Atom_Stereo_Count	3
49607	Non-hydrogen_Atom_Count	15
37137	Isotope_Atom_Count	0
752646	Undefined_Atom_Stereo_Count	0
3715739	Molecular_Weight	219.27
55434	Hydrogen_Bond_Acceptor_Count	4
27428	Hydrogen_Bond_Donor_Count	0
14072448	Total_Formal_Charge	0
1012	Defined_Atom_Stereo_Count	0
14800	Undefined_Atom_Stereo_Count	0
1745	Defined_Bond_Stereo_Count	0
15166013	Non-hydrogen_Atom_Count	8
104775	Defined_Bond_Stereo_Count	0
101203296	Structure_Complexity	252
24705	Exact_Mass	236.10840961
7421	Rotatable_Bond_Count	1
12210211	Non-hydrogen_Atom_Count	8
70355	Undefined_Atom_Stereo_Count	0
9445	Molecular_Weight	207.01
82197	XLogP3	1.6
115739	Structure_Complexity	240
141516912	Defined_Bond_Stereo_Count	0
140152057	Undefined_Bond_Stereo_Count	0
14523552	Molecular_Weight	378.4
439373	Mono_Isotopic_Weight	178.04773803
58560	Hydrogen_Bond_Acceptor_Count	3
65856	Hydrogen_Bond_Acceptor_Count	4
1241420	TPSA	66.4
609844	Total_Formal_Charge	0
57441855	Defined_Bond_Stereo_Count	0
99474	Defined_Bond_Stereo_Count	0
4199	Molecular_Weight	298.4
139154214	Undefined_Bond_Stereo_Count	0
3710788	Undefined_Atom_Stereo_Count	0
10867	XLogP3-AA	3.9
68783	Covalent_Unit_Count	1
54033586	Undefined_Atom_Stereo_Count	2
10335364	Isotope_Atom_Count	0
533909	Tautomer_Count	1
8276	Defined_Atom_Stereo_Count	0
65960	Non-hydrogen_Atom_Count	18
61032	Undefined_Atom_Stereo_Count	0
89359	Undefined_Atom_Stereo_Count	2
21699428	Hydrogen_Bond_Donor_Count	1
12213229	TPSA	75.3
769	Hydrogen_Bond_Acceptor_Count	3
1549062	Non-hydrogen_Atom_Count	16
121231162	Rotatable_Bond_Count	16
24865076	Covalent_Unit_Count	1
6857536	Undefined_Atom_Stereo_Count	1
140152869	Hydrogen_Bond_Donor_Count	1
3869	Defined_Bond_Stereo_Count	0
127382	Undefined_Bond_Stereo_Count	0
12278591	Non-hydrogen_Atom_Count	7
21354474	Hydrogen_Bond_Acceptor_Count	2
13574952	Covalent_Unit_Count	1
12310	Hydrogen_Bond_Acceptor_Count	0
18356755	Defined_Bond_Stereo_Count	0
5483874	Hydrogen_Bond_Donor_Count	0
11686903	Covalent_Unit_Count	1
3085877	Exact_Mass	164.058577502
5311399	Hydrogen_Bond_Acceptor_Count	5
15983810	Defined_Atom_Stereo_Count	0
53317992	Covalent_Unit_Count	1
11083834	Structure_Complexity	76.1
142044455	Covalent_Unit_Count	1
138539	Structure_Complexity	46.1
86042	Undefined_Atom_Stereo_Count	1
15053	Isotope_Atom_Count	0
7619	Undefined_Bond_Stereo_Count	0
135398740	Isotope_Atom_Count	0
11251522	Hydrogen_Bond_Acceptor_Count	12
11987858	Non-hydrogen_Atom_Count	7
688107	Non-hydrogen_Atom_Count	15
91419167	Total_Formal_Charge	0
6620134	Mono_Isotopic_Weight	445.20015635
11440685	Mono_Isotopic_Weight	390.16785316
11565289	Undefined_Atom_Stereo_Count	1
443111	Exact_Mass	525.24750046
45878	Rotatable_Bond_Count	4
440946	Hydrogen_Bond_Donor_Count	11
16422	Total_Formal_Charge	0
183812	Defined_Bond_Stereo_Count	0
45157475	Total_Formal_Charge	0
71304	Defined_Bond_Stereo_Count	0
78452	Structure_Complexity	141
14578458	Structure_Complexity	74.5
13008	Undefined_Atom_Stereo_Count	0
7968	Rotatable_Bond_Count	0
9798038	Non-hydrogen_Atom_Count	25
8241	Defined_Bond_Stereo_Count	0
31016	Defined_Bond_Stereo_Count	0
56955933	Mono_Isotopic_Weight	79.9687389
70414	Rotatable_Bond_Count	7
3017434	Undefined_Bond_Stereo_Count	0
22213349	Defined_Atom_Stereo_Count	0
7941	Rotatable_Bond_Count	2
58642	Undefined_Atom_Stereo_Count	0
19022508	Covalent_Unit_Count	1
18506396	Undefined_Atom_Stereo_Count	3
398729	Total_Formal_Charge	0
10285780	Structure_Complexity	72.5
98473	Non-hydrogen_Atom_Count	28
70949	TPSA	57.5
10271170	Hydrogen_Bond_Donor_Count	2
180559	Molecular_Weight	266.34
135398745	XLogP3-AA	2.9
598777	TPSA	51.8
5086	Covalent_Unit_Count	1
41257	Defined_Bond_Stereo_Count	0
11167112	Rotatable_Bond_Count	7
3041260	Molecular_Weight	350.5
129474	Exact_Mass	291.18344366
37993	Tautomer_Count	1
13437377	Hydrogen_Bond_Donor_Count	1
40469210	Undefined_Atom_Stereo_Count	0
8854	Tautomer_Count	1
57565697	Exact_Mass	116.083729621
72199429	Mono_Isotopic_Weight	605.27395051
6435401	Hydrogen_Bond_Acceptor_Count	8
34452	Molecular_Weight	344.43
22239085	Exact_Mass	372.16944839
68503	Covalent_Unit_Count	1
3032396	Hydrogen_Bond_Donor_Count	4
122672078	Mono_Isotopic_Weight	112.088815002
726	Structure_Complexity	1530
45794	Defined_Bond_Stereo_Count	0
47979	Molecular_Weight	383.5
524210	Undefined_Atom_Stereo_Count	0
11432307	Structure_Complexity	777
142262	Defined_Bond_Stereo_Count	0
11446296	Hydrogen_Bond_Donor_Count	2
56955282	Isotope_Atom_Count	0
7430	Molecular_Weight	207.01
12269	Molecular_Weight	238.45
23700188	Undefined_Bond_Stereo_Count	0
10621	Structure_Complexity	940
16109396	Rotatable_Bond_Count	7
54186	XLogP3-AA	3.5
2367	Hydrogen_Bond_Acceptor_Count	9
14679813	Rotatable_Bond_Count	7
9754	Isotope_Atom_Count	0
15410449	Molecular_Weight	399.2
5462077	Molecular_Weight	272.39
15211200	Undefined_Bond_Stereo_Count	0
64154	Isotope_Atom_Count	0
6418362	Molecular_Weight	287.32
793	Covalent_Unit_Count	1
67172	Molecular_Weight	410.5
11509958	Non-hydrogen_Atom_Count	25
5354043	Exact_Mass	286.229665576
23664054	Molecular_Weight	248.16
11670791	Defined_Bond_Stereo_Count	0
9865515	Defined_Atom_Stereo_Count	0
2284	Structure_Complexity	191
596237	Undefined_Bond_Stereo_Count	0
51038316	Rotatable_Bond_Count	8
317852	Structure_Complexity	434
2547	Hydrogen_Bond_Donor_Count	14
9898619	Undefined_Bond_Stereo_Count	0
76030824	Defined_Atom_Stereo_Count	0
17754081	Structure_Complexity	98
102846	Defined_Bond_Stereo_Count	0
583540	Hydrogen_Bond_Acceptor_Count	3
19438455	Defined_Bond_Stereo_Count	0
151175776	Total_Formal_Charge	0
33166	Total_Formal_Charge	0
11043	Molecular_Weight	351.12
14072448	Mono_Isotopic_Weight	114.042927438
79303108	Undefined_Atom_Stereo_Count	0
54584775	Non-hydrogen_Atom_Count	21
26651	Defined_Bond_Stereo_Count	0
121285115	Exact_Mass	284.16237386
65109	Defined_Bond_Stereo_Count	0
445694	Hydrogen_Bond_Acceptor_Count	2
6009	TPSA	26.8
56626	Hydrogen_Bond_Donor_Count	1
6432238	Undefined_Atom_Stereo_Count	0
26660	Hydrogen_Bond_Acceptor_Count	1
521020	Tautomer_Count	1
9841596	Isotope_Atom_Count	0
445892	Total_Formal_Charge	0
14849721	Non-hydrogen_Atom_Count	8
102855	Undefined_Atom_Stereo_Count	1
55285	Defined_Bond_Stereo_Count	0
25153273	Non-hydrogen_Atom_Count	11
98723	Defined_Bond_Stereo_Count	0
135438601	Structure_Complexity	208
54418364	Undefined_Atom_Stereo_Count	1
142773668	Total_Formal_Charge	0
68015385	TPSA	190
14342	Mono_Isotopic_Weight	343.918158
71306415	Isotope_Atom_Count	0
6435782	Rotatable_Bond_Count	7
4645224	Hydrogen_Bond_Donor_Count	1
17522	Molecular_Weight	243.22
10568	Non-hydrogen_Atom_Count	6
11393	Undefined_Atom_Stereo_Count	0
490561	Isotope_Atom_Count	0
21930930	Total_Formal_Charge	0
38769	TPSA	50.6
932	Exact_Mass	272.06847348
60195810	XLogP3-AA	1.2
19425	Undefined_Bond_Stereo_Count	0
12479	TPSA	52.6
6439420	Undefined_Atom_Stereo_Count	0
53394675	Hydrogen_Bond_Donor_Count	1
9961878	Tautomer_Count	54
166548151	TPSA	23.8
54046302	TPSA	46.2
140934984	Rotatable_Bond_Count	0
87119	Undefined_Bond_Stereo_Count	0
13035120	Total_Formal_Charge	0
42334	Non-hydrogen_Atom_Count	20
71124	Exact_Mass	702.29817356
72114	Isotope_Atom_Count	0
44152553	XLogP3-AA	6.4
22918788	Non-hydrogen_Atom_Count	6
5359271	Undefined_Atom_Stereo_Count	0
129891	Non-hydrogen_Atom_Count	10
96776	Covalent_Unit_Count	1
5284329	Total_Formal_Charge	0
139194774	TPSA	89
21617086	Non-hydrogen_Atom_Count	8
441404	XLogP3	6.4
19754	Molecular_Weight	90.19
104881	Structure_Complexity	500
2733497	Undefined_Bond_Stereo_Count	0
166556	Hydrogen_Bond_Donor_Count	2
667	Rotatable_Bond_Count	20
122004	Covalent_Unit_Count	1
23676704	Isotope_Atom_Count	0
30291	TPSA	55.6
45108235	Rotatable_Bond_Count	9
1535935	Rotatable_Bond_Count	2
336423	Exact_Mass	386.21066147
12184	Hydrogen_Bond_Donor_Count	1
45484139	Isotope_Atom_Count	0
53322430	Defined_Bond_Stereo_Count	0
136585	Tautomer_Count	1
56843375	Covalent_Unit_Count	1
8739	Rotatable_Bond_Count	2
38876	Tautomer_Count	1
2783443	Rotatable_Bond_Count	0
71361084	Defined_Atom_Stereo_Count	0
5324054	Defined_Atom_Stereo_Count	0
12271346	Rotatable_Bond_Count	1
27124	Defined_Atom_Stereo_Count	0
9287	Undefined_Bond_Stereo_Count	0
197712	Mono_Isotopic_Weight	378.15795719
85812	Defined_Bond_Stereo_Count	0
3323161	Rotatable_Bond_Count	1
70729	Molecular_Weight	118.10
135421783	Molecular_Weight	895.9
10630456	Defined_Bond_Stereo_Count	0
963289	Undefined_Atom_Stereo_Count	0
45085022	Hydrogen_Bond_Acceptor_Count	2
26710	Structure_Complexity	54.3
11543746	TPSA	57.8
9862176	Structure_Complexity	335
154478098	Rotatable_Bond_Count	0
571973	Exact_Mass	107.048347172
42608371	Molecular_Weight	287.44
3933	Undefined_Bond_Stereo_Count	0
170234	Defined_Bond_Stereo_Count	0
3082301	Mono_Isotopic_Weight	550.18977037
28692	Undefined_Bond_Stereo_Count	0
25271892	Exact_Mass	315.08033852
11476710	Defined_Bond_Stereo_Count	0
5354486	Hydrogen_Bond_Donor_Count	2
13348002	Rotatable_Bond_Count	0
158294441	Non-hydrogen_Atom_Count	8
19049960	Undefined_Bond_Stereo_Count	0
135564773	Undefined_Atom_Stereo_Count	0
107992	Tautomer_Count	1
66357	Structure_Complexity	217
6331	Exact_Mass	14.0327803
41384	Exact_Mass	380.21336406
8969	Rotatable_Bond_Count	2
53921772	Exact_Mass	116.047344113
87612217	Hydrogen_Bond_Acceptor_Count	4
23566493	Rotatable_Bond_Count	0
139059561	Hydrogen_Bond_Acceptor_Count	6
13654	TPSA	26.3
5460723	Hydrogen_Bond_Acceptor_Count	1
99010	XLogP3-AA	2.5
57536767	Isotope_Atom_Count	0
131700489	Structure_Complexity	337
14273	Hydrogen_Bond_Acceptor_Count	2
3690	XLogP3	0.9
439655	Rotatable_Bond_Count	3
21527	Non-hydrogen_Atom_Count	11
57228285	Mono_Isotopic_Weight	114.00654193
26350	Hydrogen_Bond_Acceptor_Count	3
21783	Hydrogen_Bond_Acceptor_Count	4
12958096	Molecular_Weight	128.18
44410959	Structure_Complexity	617
445226	Hydrogen_Bond_Acceptor_Count	6
60196316	Molecular_Weight	387.0
517957	Tautomer_Count	1
10291132	Hydrogen_Bond_Acceptor_Count	11
135445969	Defined_Bond_Stereo_Count	0
8376	Mono_Isotopic_Weight	227.01783489
71301276	Hydrogen_Bond_Acceptor_Count	3
692135	Hydrogen_Bond_Donor_Count	1
2083	Hydrogen_Bond_Donor_Count	4
44392105	Undefined_Atom_Stereo_Count	0
136266076	Mono_Isotopic_Weight	318.01162
449688	Undefined_Bond_Stereo_Count	0
25058200	Tautomer_Count	1
3513	XLogP3-AA	2.7
68234591	Defined_Atom_Stereo_Count	0
9117	Hydrogen_Bond_Donor_Count	0
3772977	Covalent_Unit_Count	1
59814883	Exact_Mass	110.073164938
11553369	Covalent_Unit_Count	2
21138	Hydrogen_Bond_Acceptor_Count	3
85551668	Defined_Atom_Stereo_Count	0
118704759	Defined_Atom_Stereo_Count	1
868031	Covalent_Unit_Count	1
21580808	Molecular_Weight	273.37
81890	Undefined_Atom_Stereo_Count	0
6436158	Covalent_Unit_Count	1
22832	Rotatable_Bond_Count	10
15208	Total_Formal_Charge	0
159326	XLogP3-AA	4.3
638186	Mono_Isotopic_Weight	95.9533555
123413	Structure_Complexity	66.8
5783	Defined_Atom_Stereo_Count	0
85912645	Exact_Mass	98.036779430
92253	Undefined_Atom_Stereo_Count	0
91895934	Exact_Mass	560.27338086
6904	Structure_Complexity	147
62773515	Rotatable_Bond_Count	1
23669	Structure_Complexity	260
48978	Defined_Atom_Stereo_Count	0
135398513	Undefined_Bond_Stereo_Count	0
54066	Mono_Isotopic_Weight	250.168127949
68843	Hydrogen_Bond_Donor_Count	1
591	Mono_Isotopic_Weight	893.20709926
17317	Molecular_Weight	236.34
69532978	Mono_Isotopic_Weight	115.063328530
70608	XLogP3-AA	1.8
141082	Mono_Isotopic_Weight	98.073164938
9948102	Undefined_Bond_Stereo_Count	0
9887304	Structure_Complexity	682
21962760	Undefined_Atom_Stereo_Count	0
90876488	Exact_Mass	342.11621151
10715	Hydrogen_Bond_Donor_Count	2
12259685	Non-hydrogen_Atom_Count	21
13247016	Structure_Complexity	44.8
71433469	Rotatable_Bond_Count	0
2292	Total_Formal_Charge	0
10314049	Rotatable_Bond_Count	3
3000450	Hydrogen_Bond_Acceptor_Count	6
736530	Hydrogen_Bond_Acceptor_Count	2
4005	Molecular_Weight	529.7
11443	Mono_Isotopic_Weight	174.042927438
6917715	Covalent_Unit_Count	1
51055169	Non-hydrogen_Atom_Count	36
19709	Exact_Mass	101.120449483
28467	Defined_Bond_Stereo_Count	0
10760	Tautomer_Count	2
8228	Undefined_Bond_Stereo_Count	0
89220373	Hydrogen_Bond_Donor_Count	5
7928	Isotope_Atom_Count	0
90813484	Hydrogen_Bond_Acceptor_Count	2
5411	Hydrogen_Bond_Donor_Count	1
53436961	TPSA	0
3036507	Hydrogen_Bond_Acceptor_Count	11
2810830	Structure_Complexity	611
11192	Defined_Bond_Stereo_Count	0
21895380	Molecular_Weight	513.07
57547	Tautomer_Count	1
26007	Defined_Atom_Stereo_Count	0
257501	Defined_Atom_Stereo_Count	0
5324168	Rotatable_Bond_Count	2
11405	XLogP3	1.9
6175	Defined_Atom_Stereo_Count	4
11815824	Exact_Mass	98.073164938
11429	Undefined_Bond_Stereo_Count	0
49837892	Total_Formal_Charge	0
146157141	TPSA	23.5
5459844	Hydrogen_Bond_Donor_Count	1
91439614	Rotatable_Bond_Count	2
16220015	Hydrogen_Bond_Donor_Count	1
701718	XLogP3-AA	3.3
7959	Isotope_Atom_Count	0
88344183	Defined_Atom_Stereo_Count	0
5481173	Tautomer_Count	14
705145	Molecular_Weight	349.4
260708	Defined_Atom_Stereo_Count	0
178103	Non-hydrogen_Atom_Count	37
20769	Hydrogen_Bond_Donor_Count	0
28183	Molecular_Weight	316.22
15660	Exact_Mass	210.209598838
12980109	Covalent_Unit_Count	1
58242071	Mono_Isotopic_Weight	100.088815002
14459015	Non-hydrogen_Atom_Count	20
65240	Molecular_Weight	569.6
16047027	Molecular_Weight	697.9
6266	Hydrogen_Bond_Donor_Count	0
130025161	Total_Formal_Charge	0
91465979	Isotope_Atom_Count	0
16049024	Undefined_Atom_Stereo_Count	0
169371	TPSA	219
58460047	TPSA	98
5746414	Isotope_Atom_Count	0
222155	Total_Formal_Charge	0
10432339	Covalent_Unit_Count	1
2971	Molecular_Weight	322.4
71517531	XLogP3-AA	3.1
9831783	Non-hydrogen_Atom_Count	52
13001072	Total_Formal_Charge	0
4517	XLogP3-AA	0.2
72402	Molecular_Weight	363.4
131255	Defined_Atom_Stereo_Count	0
86018330	Undefined_Atom_Stereo_Count	0
137759	Molecular_Weight	161.20
19438038	Defined_Bond_Stereo_Count	0
141829	Tautomer_Count	1
299728	Undefined_Bond_Stereo_Count	0
60993	Covalent_Unit_Count	1
140560	Tautomer_Count	1
82343	Hydrogen_Bond_Acceptor_Count	1
98497	Covalent_Unit_Count	1
54710618	Rotatable_Bond_Count	1
73921	Covalent_Unit_Count	1
83287	Undefined_Bond_Stereo_Count	0
71625548	Rotatable_Bond_Count	10
42552694	Rotatable_Bond_Count	4
3315	Mono_Isotopic_Weight	872.05463428
12647151	Structure_Complexity	118
80045	Hydrogen_Bond_Acceptor_Count	2
21265	Undefined_Atom_Stereo_Count	0
70563	Mono_Isotopic_Weight	283.1339066
54584750	Rotatable_Bond_Count	15
11592	Covalent_Unit_Count	1
117633116	Exact_Mass	180.06338810
65898	Total_Formal_Charge	0
95400	Defined_Atom_Stereo_Count	0
45168044	XLogP3-AA	4.4
183789	Total_Formal_Charge	0
131954763	Total_Formal_Charge	0
11344000	XLogP3-AA	0.7
5288075	XLogP3-AA	12.4
15204529	Hydrogen_Bond_Acceptor_Count	1
54545615	Undefined_Atom_Stereo_Count	1
81415695	Structure_Complexity	107
7156899	Mono_Isotopic_Weight	342.11621151
91758	Hydrogen_Bond_Donor_Count	0
12150	Mono_Isotopic_Weight	138.068079557
4650	Structure_Complexity	149
15256327	Exact_Mass	115.063328530
25166913	Isotope_Atom_Count	0
3536595	Undefined_Bond_Stereo_Count	0
23932	TPSA	0
6827	XLogP3-AA	6
143466591	Molecular_Weight	101.15
59296100	Molecular_Weight	460.9
151243	Rotatable_Bond_Count	3
73110	TPSA	146
163	Mono_Isotopic_Weight	909.17820443
642623	Covalent_Unit_Count	1
165558	Structure_Complexity	641
69732358	Hydrogen_Bond_Donor_Count	1
10496	Exact_Mass	192.04225873
13306877	Total_Formal_Charge	0
68517380	Undefined_Atom_Stereo_Count	0
7001	Undefined_Atom_Stereo_Count	0
3037234	Defined_Atom_Stereo_Count	0
2734168	XLogP3-AA	1.7
9912474	XLogP3-AA	5.4
425400	Mono_Isotopic_Weight	530.39712482
145971	XLogP3	0.3
19186	Covalent_Unit_Count	1
2808977	Hydrogen_Bond_Donor_Count	1
20952	Defined_Atom_Stereo_Count	0
48973	Rotatable_Bond_Count	6
70685868	Molecular_Weight	478.5
81595	Structure_Complexity	119
54099775	TPSA	46.3
54459901	Hydrogen_Bond_Acceptor_Count	2
92044406	Structure_Complexity	2410
44630251	Total_Formal_Charge	0
16760374	Isotope_Atom_Count	0
17890710	Undefined_Atom_Stereo_Count	0
47670	Isotope_Atom_Count	0
443967	Molecular_Weight	434.5
33572	Covalent_Unit_Count	1
78521	Undefined_Bond_Stereo_Count	0
102020084	Undefined_Atom_Stereo_Count	0
268488	Hydrogen_Bond_Donor_Count	3
696	Defined_Atom_Stereo_Count	0
56682314	Exact_Mass	422.12127520
444493	Molecular_Weight	809.6
129859783	Covalent_Unit_Count	1
5311032	Defined_Atom_Stereo_Count	5
20392430	Structure_Complexity	82.6
325086	Rotatable_Bond_Count	1
755373	Hydrogen_Bond_Acceptor_Count	8
91701304	Non-hydrogen_Atom_Count	7
12285862	Isotope_Atom_Count	0
85904477	Isotope_Atom_Count	0
5047209	Undefined_Bond_Stereo_Count	0
9627	Rotatable_Bond_Count	0
20638380	Total_Formal_Charge	0
72665	Molecular_Weight	424.4
13347373	Hydrogen_Bond_Acceptor_Count	2
66683197	Mono_Isotopic_Weight	325.15904043
24360	Undefined_Atom_Stereo_Count	0
100934359	Defined_Atom_Stereo_Count	0
473148	Hydrogen_Bond_Donor_Count	2
56631355	TPSA	40.5
23462	Non-hydrogen_Atom_Count	9
115227	Covalent_Unit_Count	2
12845046	Structure_Complexity	76.8
57565697	Defined_Atom_Stereo_Count	0
47510	Hydrogen_Bond_Donor_Count	3
97414	TPSA	103
92214	Non-hydrogen_Atom_Count	11
156144	Covalent_Unit_Count	1
3464	Rotatable_Bond_Count	7
44570889	Undefined_Atom_Stereo_Count	0
662	Total_Formal_Charge	0
7077	Undefined_Atom_Stereo_Count	0
455579	Molecular_Weight	367.5
6451148	Hydrogen_Bond_Donor_Count	0
44241626	Molecular_Weight	499.9
21107383	Molecular_Weight	376.9
9952446	Rotatable_Bond_Count	7
447001	Hydrogen_Bond_Donor_Count	4
16900	Rotatable_Bond_Count	5
44629600	Structure_Complexity	973
135398561	Tautomer_Count	126
5363097	Exact_Mass	252.245315640
6366726	Mono_Isotopic_Weight	368.18100131
12556265	Exact_Mass	100.052429494
686752	Non-hydrogen_Atom_Count	18
9841596	Tautomer_Count	1
21187633	Isotope_Atom_Count	0
44521024	Non-hydrogen_Atom_Count	34
131869249	Hydrogen_Bond_Donor_Count	0
153939154	Mono_Isotopic_Weight	114.068079557
17564	Defined_Bond_Stereo_Count	0
50993725	Defined_Bond_Stereo_Count	0
13991616	Molecular_Weight	268.22
77737505	Undefined_Bond_Stereo_Count	0
60196262	Mono_Isotopic_Weight	1266.73295702
44310946	Undefined_Atom_Stereo_Count	0
69020	Covalent_Unit_Count	1
11908489	Non-hydrogen_Atom_Count	23
53893636	Isotope_Atom_Count	0
5920	Rotatable_Bond_Count	5
55297293	Molecular_Weight	98.14
24944555	Defined_Bond_Stereo_Count	0
7939	Hydrogen_Bond_Donor_Count	1
24868270	Undefined_Atom_Stereo_Count	0
12229396	XLogP3	3.2
25142313	Covalent_Unit_Count	1
3768578	Isotope_Atom_Count	0
135507761	Defined_Bond_Stereo_Count	2
23960	Isotope_Atom_Count	0
9995236	Mono_Isotopic_Weight	303.99597
32912	Mono_Isotopic_Weight	256.240230259
9939927	Mono_Isotopic_Weight	700.32788900
973122	Hydrogen_Bond_Donor_Count	2
11355992	Covalent_Unit_Count	1
6327514	TPSA	35.5
14899645	Isotope_Atom_Count	0
440113	Isotope_Atom_Count	0
2691	Isotope_Atom_Count	0
483559	Non-hydrogen_Atom_Count	30
12300006	Non-hydrogen_Atom_Count	39
1643	Covalent_Unit_Count	1
12592	Molecular_Weight	338.7
44792	Hydrogen_Bond_Donor_Count	2
3985879	Exact_Mass	99.104799419
440266	Mono_Isotopic_Weight	153.078978594
39688	Undefined_Atom_Stereo_Count	0
57687	Molecular_Weight	367.8
73820465	Exact_Mass	482.15768240
5324560	Non-hydrogen_Atom_Count	9
11593706	Hydrogen_Bond_Acceptor_Count	5
453974	Rotatable_Bond_Count	0
9993	Covalent_Unit_Count	1
93092	TPSA	24.7
68663	Rotatable_Bond_Count	5
67782238	Molecular_Weight	100.12
11240433	TPSA	49.8
71406	XLogP3-AA	9.9
10986185	Total_Formal_Charge	0
70934	Mono_Isotopic_Weight	70.041864811
72614909	Total_Formal_Charge	0
71783	TPSA	238
5015	Non-hydrogen_Atom_Count	19
5496862	TPSA	117
68321727	Defined_Bond_Stereo_Count	0
21263	Mono_Isotopic_Weight	100.052429494
82711397	Exact_Mass	118.062994177
5327131	Undefined_Atom_Stereo_Count	0
72666	Isotope_Atom_Count	0
10125048	Mono_Isotopic_Weight	86.048012819
9416	Tautomer_Count	5
11664966	Defined_Bond_Stereo_Count	2
57235	Undefined_Bond_Stereo_Count	0
2165	Mono_Isotopic_Weight	355.1451400
8454	Undefined_Atom_Stereo_Count	0
123816	Undefined_Bond_Stereo_Count	1
97497	Defined_Atom_Stereo_Count	0
12372	XLogP3	2.2
399748	Mono_Isotopic_Weight	366.14672380
6445540	Undefined_Atom_Stereo_Count	0
11610599	Defined_Bond_Stereo_Count	0
53346581	Defined_Atom_Stereo_Count	0
107901	Undefined_Atom_Stereo_Count	0
4066	Tautomer_Count	1
457126	XLogP3-AA	0.9
7917	Non-hydrogen_Atom_Count	7
5326713	Hydrogen_Bond_Donor_Count	0
5284359	Hydrogen_Bond_Acceptor_Count	2
71586929	Structure_Complexity	212
88406	Total_Formal_Charge	0
97289	Mono_Isotopic_Weight	178.0185425
9793707	Defined_Atom_Stereo_Count	0
47552	XLogP3	0.5
69110	Rotatable_Bond_Count	1
10731	Non-hydrogen_Atom_Count	15
156588466	Molecular_Weight	709.3
10784	Hydrogen_Bond_Acceptor_Count	1
132082520	Molecular_Weight	108.14
5125	Exact_Mass	314.09616600
14297145	Non-hydrogen_Atom_Count	16
29778	Rotatable_Bond_Count	4
25058167	Defined_Bond_Stereo_Count	0
60196351	Hydrogen_Bond_Acceptor_Count	5
10214	Defined_Bond_Stereo_Count	0
24848321	Non-hydrogen_Atom_Count	21
71987	Non-hydrogen_Atom_Count	18
526362	Exact_Mass	325.87649
12751986	Exact_Mass	108.068748264
17480032	Undefined_Atom_Stereo_Count	0
39238	Isotope_Atom_Count	0
915014	Defined_Bond_Stereo_Count	0
44719499	Rotatable_Bond_Count	4
8691	Isotope_Atom_Count	0
154825540	Hydrogen_Bond_Donor_Count	3
150868	Non-hydrogen_Atom_Count	14
69244	Molecular_Weight	97.16
637927	Defined_Bond_Stereo_Count	1
71245	Undefined_Atom_Stereo_Count	0
11744314	Covalent_Unit_Count	1
31218	Exact_Mass	426.37091007
450601	Undefined_Atom_Stereo_Count	0
50914976	XLogP3-AA	1.4
8011	Hydrogen_Bond_Donor_Count	1
10057477	Molecular_Weight	115.13
37271	Total_Formal_Charge	0
159269	Defined_Atom_Stereo_Count	3
71109	Mono_Isotopic_Weight	272.152477885
156580481	Total_Formal_Charge	0
129669846	Structure_Complexity	1330
151592	Defined_Atom_Stereo_Count	0
167297	Undefined_Atom_Stereo_Count	2
134399	Mono_Isotopic_Weight	129.115364102
11040661	Exact_Mass	114.068079557
9800068	Total_Formal_Charge	0
594557	Covalent_Unit_Count	1
9869218	TPSA	96.9
904	Covalent_Unit_Count	1
15061530	Undefined_Atom_Stereo_Count	0
160757343	Undefined_Atom_Stereo_Count	2
12340	Undefined_Atom_Stereo_Count	0
73584	Mono_Isotopic_Weight	307.15320616
88735	Undefined_Atom_Stereo_Count	0
140568	Exact_Mass	94.078250319
45933929	Defined_Atom_Stereo_Count	3
51712	TPSA	52.6
123611	Undefined_Atom_Stereo_Count	1
66136	Total_Formal_Charge	0
232651	Hydrogen_Bond_Donor_Count	1
12951370	Tautomer_Count	1
56928060	Isotope_Atom_Count	0
2585	Hydrogen_Bond_Acceptor_Count	5
4761	Isotope_Atom_Count	0
426409	Defined_Bond_Stereo_Count	0
5283741	Mono_Isotopic_Weight	416.32904526
18908	Total_Formal_Charge	0
20483617	Molecular_Weight	110.16
13008	Hydrogen_Bond_Acceptor_Count	2
440728	Defined_Bond_Stereo_Count	0
3265	Mono_Isotopic_Weight	384.23005950
49856296	Hydrogen_Bond_Donor_Count	2
11339	Covalent_Unit_Count	1
6324604	Defined_Bond_Stereo_Count	1
564664	Molecular_Weight	108.18
54215673	Defined_Bond_Stereo_Count	0
2784	Non-hydrogen_Atom_Count	26
23535	Exact_Mass	273.172878976
5459796	Undefined_Atom_Stereo_Count	0
637997	Structure_Complexity	95.7
90943273	Hydrogen_Bond_Acceptor_Count	2
656587	Covalent_Unit_Count	2
49808	Undefined_Bond_Stereo_Count	0
1918	Defined_Atom_Stereo_Count	0
13976559	TPSA	38.7
17497	Covalent_Unit_Count	1
48068	Covalent_Unit_Count	3
44190035	Isotope_Atom_Count	0
71583159	Molecular_Weight	466.6
46936900	TPSA	169
14770	TPSA	0
559799	Tautomer_Count	1
139134	Covalent_Unit_Count	1
2002	Defined_Bond_Stereo_Count	0
535857	Mono_Isotopic_Weight	110.048012819
14097	Undefined_Bond_Stereo_Count	0
16115747	Rotatable_Bond_Count	6
439456	TPSA	261
23574562	Isotope_Atom_Count	0
3710788	Structure_Complexity	66.5
44395035	XLogP3-AA	4.9
65238029	Defined_Bond_Stereo_Count	0
67416	Rotatable_Bond_Count	8
44629594	Defined_Bond_Stereo_Count	0
5310993	Exact_Mass	154.03784206
163883593	TPSA	67.8
43057	Hydrogen_Bond_Donor_Count	1
67515	Covalent_Unit_Count	1
16211171	Hydrogen_Bond_Acceptor_Count	4
141850000	Hydrogen_Bond_Acceptor_Count	1
101074209	Defined_Atom_Stereo_Count	15
28557	Defined_Bond_Stereo_Count	0
11029761	TPSA	40.5
659063	Structure_Complexity	579
9918559	Molecular_Weight	477.5
398592	XLogP3-AA	1.2
8742	Total_Formal_Charge	0
376375	Undefined_Atom_Stereo_Count	0
444627	Molecular_Weight	1118.8
85470810	Exact_Mass	528.10564683
60199634	Isotope_Atom_Count	0
447196	Tautomer_Count	3
118658477	Mono_Isotopic_Weight	111.068413911
23665763	Hydrogen_Bond_Donor_Count	1
9848869	Total_Formal_Charge	0
71880	Hydrogen_Bond_Donor_Count	2
40704	Isotope_Atom_Count	0
7582	Undefined_Bond_Stereo_Count	0
57642301	Undefined_Atom_Stereo_Count	2
76335	Exact_Mass	100.088815002
2236	Rotatable_Bond_Count	2
47	Covalent_Unit_Count	1
14667	Rotatable_Bond_Count	4
10654175	Mono_Isotopic_Weight	97.052763847
129696925	Covalent_Unit_Count	2
501391	Exact_Mass	219.14705815
48368	Isotope_Atom_Count	0
5281080	Defined_Atom_Stereo_Count	2
47628	Isotope_Atom_Count	0
21903	XLogP3-AA	2.4
75103	Structure_Complexity	24.7
58387740	Mono_Isotopic_Weight	114.104465066
92389	Covalent_Unit_Count	1
123806389	Total_Formal_Charge	0
34364440	Isotope_Atom_Count	0
146678	Defined_Bond_Stereo_Count	0
54556623	Hydrogen_Bond_Donor_Count	2
3167	TPSA	37.3
9956324	Undefined_Atom_Stereo_Count	0
99071	Undefined_Atom_Stereo_Count	1
102120416	Structure_Complexity	966
6438151	Hydrogen_Bond_Acceptor_Count	14
72149	Isotope_Atom_Count	0
73742	XLogP3	1.9
123131999	Undefined_Atom_Stereo_Count	1
14181658	Mono_Isotopic_Weight	487.22782765
59067341	Exact_Mass	116.047344113
656630	TPSA	288
750	Undefined_Bond_Stereo_Count	0
45344	Structure_Complexity	263
22648408	Defined_Bond_Stereo_Count	0
12715	Structure_Complexity	82.5
134922506	Isotope_Atom_Count	0
69440016	Non-hydrogen_Atom_Count	44
77342	Isotope_Atom_Count	0
2720	Total_Formal_Charge	0
12304	Exact_Mass	102.104465066
67472	Defined_Atom_Stereo_Count	0
117217480	Isotope_Atom_Count	0
43006	TPSA	89.7
134687950	Rotatable_Bond_Count	4
44558536	Defined_Bond_Stereo_Count	0
124518033	Defined_Atom_Stereo_Count	0
182585	Hydrogen_Bond_Acceptor_Count	5
549294	Covalent_Unit_Count	1
14380	Defined_Atom_Stereo_Count	0
178	Defined_Atom_Stereo_Count	0
18374068	Defined_Bond_Stereo_Count	0
22220875	Undefined_Atom_Stereo_Count	0
4055843	Exact_Mass	238.062994177
31236	Defined_Bond_Stereo_Count	0
23516057	Defined_Atom_Stereo_Count	0
105426927	Total_Formal_Charge	0
12608294	Undefined_Bond_Stereo_Count	0
969491	Rotatable_Bond_Count	0
50905713	Total_Formal_Charge	0
19973	Total_Formal_Charge	0
114946	Exact_Mass	120.057514874
16404350	Structure_Complexity	2330
5497174	Total_Formal_Charge	0
11354711	Defined_Atom_Stereo_Count	13
6418	Covalent_Unit_Count	1
96706	Exact_Mass	112.027277375
10950142	Undefined_Atom_Stereo_Count	0
22224184	Defined_Atom_Stereo_Count	0
16668	Exact_Mass	158.073164938
77991	Structure_Complexity	269
16048558	Undefined_Bond_Stereo_Count	0
14690973	Hydrogen_Bond_Acceptor_Count	2
41653	Mono_Isotopic_Weight	897.47219980
54175	Defined_Bond_Stereo_Count	0
439570	Covalent_Unit_Count	1
524213	Molecular_Weight	106.16
4295	Defined_Atom_Stereo_Count	0
55300028	Structure_Complexity	92.5
13283	Hydrogen_Bond_Acceptor_Count	2
13761353	Defined_Bond_Stereo_Count	0
602	Covalent_Unit_Count	1
89646	Rotatable_Bond_Count	1
89094825	TPSA	18.5
122	Isotope_Atom_Count	0
18384	Covalent_Unit_Count	1
21894384	Total_Formal_Charge	0
55294	Isotope_Atom_Count	0
139906410	Covalent_Unit_Count	1
5438	Mono_Isotopic_Weight	178.04389344
9643	Hydrogen_Bond_Donor_Count	0
33653	Isotope_Atom_Count	0
20560	Hydrogen_Bond_Donor_Count	1
22523	Defined_Bond_Stereo_Count	0
647893	Exact_Mass	427.15657746
443958	Defined_Atom_Stereo_Count	8
52949394	Undefined_Bond_Stereo_Count	0
151173	Molecular_Weight	213.19
933147	Structure_Complexity	360
19687	Hydrogen_Bond_Acceptor_Count	8
50888	Hydrogen_Bond_Donor_Count	2
6901	Defined_Atom_Stereo_Count	0
1977386	XLogP3-AA	3.4
12604	Non-hydrogen_Atom_Count	26
62884	Non-hydrogen_Atom_Count	17
82616	Non-hydrogen_Atom_Count	10
129606985	Structure_Complexity	756
66666	Mono_Isotopic_Weight	130.078250319
24825262	Hydrogen_Bond_Donor_Count	1
134338399	Mono_Isotopic_Weight	108.032362755
14923	Rotatable_Bond_Count	0
372267	Non-hydrogen_Atom_Count	20
5151436	Exact_Mass	96.057514874
49757967	Mono_Isotopic_Weight	112.063662883
23679441	Tautomer_Count	28
11940	Molecular_Weight	180.24
67518	Covalent_Unit_Count	1
11698194	XLogP3-AA	6.2
85605344	Covalent_Unit_Count	1
8020	Rotatable_Bond_Count	2
191014	Undefined_Bond_Stereo_Count	0
27295	Undefined_Atom_Stereo_Count	0
6951525	Structure_Complexity	55.1
67906	Non-hydrogen_Atom_Count	9
59664	Molecular_Weight	354.14
40894	Rotatable_Bond_Count	1
78131	Undefined_Bond_Stereo_Count	0
344793	Molecular_Weight	272.34
14417041	Undefined_Atom_Stereo_Count	1
5600	Rotatable_Bond_Count	26
66663660	Non-hydrogen_Atom_Count	7
2762553	Rotatable_Bond_Count	3
12423177	Undefined_Atom_Stereo_Count	0
21885122	Structure_Complexity	228
159982	Defined_Bond_Stereo_Count	0
17776820	Exact_Mass	110.109550447
21106	Undefined_Atom_Stereo_Count	1
91884755	Rotatable_Bond_Count	6
5288525	XLogP3-AA	1.3
12468302	TPSA	36.3
54496696	Non-hydrogen_Atom_Count	7
3445	TPSA	63.3
57387	XLogP3-AA	2
94617	Hydrogen_Bond_Donor_Count	0
80065	TPSA	78.9
819291	Exact_Mass	116.047344113
66000	TPSA	126
9952	Isotope_Atom_Count	0
46228852	TPSA	135
44349142	Exact_Mass	765.42004509
15706803	Isotope_Atom_Count	0
61129	XLogP3-AA	4.3
9980241	Tautomer_Count	6
13246	TPSA	17.1
129661122	Non-hydrogen_Atom_Count	10
9794197	Mono_Isotopic_Weight	197.0818711
165074	Isotope_Atom_Count	0
2736548	Hydrogen_Bond_Acceptor_Count	2
105426935	Undefined_Atom_Stereo_Count	1
5778	Defined_Atom_Stereo_Count	0
131698425	Exact_Mass	184.08849508
272714	Undefined_Atom_Stereo_Count	0
7233	Exact_Mass	350.329713967
441406	Molecular_Weight	486.4
13113546	TPSA	29.1
15273919	Structure_Complexity	80.1
656911	Molecular_Weight	247.30
11258980	TPSA	92.3
21030991	XLogP3	0.3
23667303	Structure_Complexity	736
25245437	Defined_Bond_Stereo_Count	1
63116	Non-hydrogen_Atom_Count	21
5482	Defined_Atom_Stereo_Count	0
166558989	Structure_Complexity	120
656652	Molecular_Weight	283.33
153816117	Hydrogen_Bond_Donor_Count	0
24848783	TPSA	93.1
10218	TPSA	63.2
114506	Non-hydrogen_Atom_Count	21
542	Hydrogen_Bond_Donor_Count	1
12428018	Covalent_Unit_Count	1
3086686	Mono_Isotopic_Weight	398.21180428
12367598	TPSA	37.3
22491624	Undefined_Atom_Stereo_Count	0
170317	Total_Formal_Charge	0
449331	Undefined_Bond_Stereo_Count	0
267577	Non-hydrogen_Atom_Count	32
201	Exact_Mass	654.38142824
139055434	Hydrogen_Bond_Acceptor_Count	13
5706752	Undefined_Atom_Stereo_Count	0
5553	Isotope_Atom_Count	0
84883	Hydrogen_Bond_Donor_Count	0
117682783	Exact_Mass	284.16237386
19067979	Defined_Bond_Stereo_Count	0
123936	Undefined_Atom_Stereo_Count	0
151497	Total_Formal_Charge	0
21872570	Defined_Atom_Stereo_Count	0
134150175	Structure_Complexity	939
162639102	Undefined_Atom_Stereo_Count	0
11569158	Defined_Bond_Stereo_Count	0
1578	Non-hydrogen_Atom_Count	16
54411340	Rotatable_Bond_Count	0
153807932	Defined_Bond_Stereo_Count	0
164652	Hydrogen_Bond_Donor_Count	4
23696271	Mono_Isotopic_Weight	222.99152313
3032338	TPSA	70.1
135582708	Covalent_Unit_Count	1
67811115	Defined_Atom_Stereo_Count	0
21564107	Non-hydrogen_Atom_Count	8
16211214	Hydrogen_Bond_Acceptor_Count	17
522251	Defined_Bond_Stereo_Count	0
15715748	XLogP3-AA	2
11046239	Tautomer_Count	1
26250	Undefined_Atom_Stereo_Count	0
7595	Hydrogen_Bond_Acceptor_Count	1
14885960	Tautomer_Count	3
25263414	Covalent_Unit_Count	1
58208	Total_Formal_Charge	0
10253728	Undefined_Atom_Stereo_Count	0
4117	Structure_Complexity	138
85296	Exact_Mass	147.08301860
3033968	Exact_Mass	310.193280068
12632903	Structure_Complexity	67.3
24950594	Rotatable_Bond_Count	4
5019	Hydrogen_Bond_Donor_Count	3
10176229	Total_Formal_Charge	0
60602	Exact_Mass	609.28388597
134823887	Covalent_Unit_Count	2
14809953	Hydrogen_Bond_Acceptor_Count	1
71490	Isotope_Atom_Count	0
12836760	Defined_Atom_Stereo_Count	0
23713799	Isotope_Atom_Count	0
131876601	Molecular_Weight	843.1
411051	TPSA	33.1
5160	XLogP3-AA	1.2
5167	Covalent_Unit_Count	1
135417349	Defined_Bond_Stereo_Count	2
9859365	Exact_Mass	225.115364102
19469	Isotope_Atom_Count	0
87573795	Rotatable_Bond_Count	29
9934033	Undefined_Bond_Stereo_Count	0
62354	Undefined_Atom_Stereo_Count	13
63346	Molecular_Weight	350.4
11069	Molecular_Weight	422.5
23666110	Structure_Complexity	408
18827	Molecular_Weight	128.21
135532293	Defined_Atom_Stereo_Count	0
13933900	Rotatable_Bond_Count	1
72402	Hydrogen_Bond_Acceptor_Count	6
79056	Defined_Bond_Stereo_Count	0
118027	Mono_Isotopic_Weight	140.083729621
141508	Undefined_Bond_Stereo_Count	0
326	Rotatable_Bond_Count	2
54215450	Non-hydrogen_Atom_Count	7
170249	Tautomer_Count	1
848667	Defined_Atom_Stereo_Count	0
6436082	Total_Formal_Charge	0
18732	Molecular_Weight	188.09
23681223	Isotope_Atom_Count	0
14266	Covalent_Unit_Count	1
447546	Covalent_Unit_Count	1
84605	TPSA	38.3
21265	Hydrogen_Bond_Acceptor_Count	2
12037	Undefined_Atom_Stereo_Count	0
131634423	Mono_Isotopic_Weight	394.1127302
23164725	Total_Formal_Charge	0
883785	Structure_Complexity	248
38879	Non-hydrogen_Atom_Count	16
62329	Non-hydrogen_Atom_Count	21
117736505	XLogP3-AA	1.6
12268621	Isotope_Atom_Count	0
41936	Defined_Atom_Stereo_Count	0
175988	Total_Formal_Charge	0
13138140	Hydrogen_Bond_Acceptor_Count	14
11185559	TPSA	56.7
82763	Total_Formal_Charge	0
97577	Non-hydrogen_Atom_Count	17
115355	Covalent_Unit_Count	1
36832	Total_Formal_Charge	0
50990560	Exact_Mass	842.51400504
80108693	Hydrogen_Bond_Acceptor_Count	2
58655	Exact_Mass	277.0748676
14714336	Non-hydrogen_Atom_Count	8
9865514	Non-hydrogen_Atom_Count	30
136797998	Structure_Complexity	555
22475	Structure_Complexity	284
6971070	XLogP3	1.3
52950901	Isotope_Atom_Count	1
3033690	Undefined_Atom_Stereo_Count	0
18712662	Hydrogen_Bond_Donor_Count	1
2819635	Hydrogen_Bond_Donor_Count	0
58937356	Total_Formal_Charge	0
85743571	Isotope_Atom_Count	0
444022	Defined_Atom_Stereo_Count	6
45008	Isotope_Atom_Count	0
9835303	Hydrogen_Bond_Acceptor_Count	2
19972	Defined_Atom_Stereo_Count	4
88959077	Non-hydrogen_Atom_Count	8
742	Total_Formal_Charge	0
54173839	Mono_Isotopic_Weight	94.078250319
522609	XLogP3-AA	3.1
77195	Structure_Complexity	46.1
620984	Molecular_Weight	258.4
96424	Mono_Isotopic_Weight	353.01401281
3532561	Mono_Isotopic_Weight	86.084398327
10909485	Undefined_Bond_Stereo_Count	0
20626690	Total_Formal_Charge	0
166606713	Defined_Atom_Stereo_Count	5
11860	Molecular_Weight	177.03
4953	Isotope_Atom_Count	0
11542775	Hydrogen_Bond_Acceptor_Count	2
517165	Undefined_Atom_Stereo_Count	0
71322980	Undefined_Atom_Stereo_Count	0
61100	Undefined_Atom_Stereo_Count	0
14454747	XLogP3-AA	1.7
202519	XLogP3	5.4
5238	Exact_Mass	149.89424
79177995	Hydrogen_Bond_Acceptor_Count	2
20528	Mono_Isotopic_Weight	267.08954328
26310	Exact_Mass	326.0548604
5113032	Tautomer_Count	160
104609	Undefined_Bond_Stereo_Count	0
19362293	Non-hydrogen_Atom_Count	7
519218	Covalent_Unit_Count	2
21201338	Molecular_Weight	203.26
22408685	Hydrogen_Bond_Acceptor_Count	2
69834	Structure_Complexity	103
314533	Hydrogen_Bond_Donor_Count	2
55284589	Defined_Atom_Stereo_Count	0
10534631	Covalent_Unit_Count	1
27826	TPSA	35.9
117791208	Structure_Complexity	57.7
9889841	XLogP3-AA	6.5
25261	Covalent_Unit_Count	2
82935	Mono_Isotopic_Weight	93.94853
3000506	Isotope_Atom_Count	0
21721015	Rotatable_Bond_Count	0
66599	Hydrogen_Bond_Donor_Count	3
4356	Rotatable_Bond_Count	10
13264589	Total_Formal_Charge	0
7252	Hydrogen_Bond_Donor_Count	2
8799	Undefined_Bond_Stereo_Count	0
4449	Covalent_Unit_Count	1
91323352	Exact_Mass	453.04129018
3520	Hydrogen_Bond_Donor_Count	3
232326	Defined_Atom_Stereo_Count	0
70297	Total_Formal_Charge	0
14022511	Undefined_Bond_Stereo_Count	0
821598	Hydrogen_Bond_Donor_Count	1
53944814	Defined_Atom_Stereo_Count	0
6437850	Undefined_Atom_Stereo_Count	0
736858	Non-hydrogen_Atom_Count	12
9502	Undefined_Bond_Stereo_Count	0
101049151	Undefined_Bond_Stereo_Count	0
130025208	XLogP3-AA	1.5
14711688	Structure_Complexity	76.6
88706	Exact_Mass	318.0407345
8307	Defined_Bond_Stereo_Count	0
47326	Mono_Isotopic_Weight	349.16779360
494937	Exact_Mass	345.08082906
145391309	Covalent_Unit_Count	1
29093	Covalent_Unit_Count	1
24848419	Isotope_Atom_Count	0
11182575	Non-hydrogen_Atom_Count	7
48838	Rotatable_Bond_Count	2
4548	Defined_Atom_Stereo_Count	0
95946	Defined_Bond_Stereo_Count	0
6161	Undefined_Atom_Stereo_Count	0
128024	Non-hydrogen_Atom_Count	26
8480	Hydrogen_Bond_Donor_Count	4
229455	TPSA	43.4
49865963	Hydrogen_Bond_Donor_Count	4
1250	Rotatable_Bond_Count	0
5371246	Undefined_Bond_Stereo_Count	0
15801221	Undefined_Bond_Stereo_Count	0
2156	Molecular_Weight	646.3
69238	Hydrogen_Bond_Acceptor_Count	3
24214097	Rotatable_Bond_Count	4
57395267	Undefined_Bond_Stereo_Count	0
65575	Hydrogen_Bond_Acceptor_Count	1
11434448	Total_Formal_Charge	0
23635314	Defined_Bond_Stereo_Count	0
44525553	Molecular_Weight	370.4
123664524	Total_Formal_Charge	0
8644	Exact_Mass	405.19163936
45027815	TPSA	163
11387	Undefined_Bond_Stereo_Count	0
15677238	Undefined_Bond_Stereo_Count	0
79618	Hydrogen_Bond_Acceptor_Count	2
58473795	Defined_Bond_Stereo_Count	0
5388937	Covalent_Unit_Count	1
14717865	Undefined_Bond_Stereo_Count	0
12882458	Undefined_Bond_Stereo_Count	0
7200	XLogP3	1.5
58475	Mono_Isotopic_Weight	244.157563266
15375	Non-hydrogen_Atom_Count	8
90165975	Undefined_Bond_Stereo_Count	0
2417	Isotope_Atom_Count	0
9227	Defined_Bond_Stereo_Count	0
75091	Structure_Complexity	160
439302	Structure_Complexity	1870
71824	Molecular_Weight	128.22
141076555	Exact_Mass	99.068413911
192154	Defined_Atom_Stereo_Count	7
55291103	Defined_Bond_Stereo_Count	0
33958	Defined_Atom_Stereo_Count	0
65258	Isotope_Atom_Count	0
16224058	Covalent_Unit_Count	1
6438863	Exact_Mass	1316.1505
5461025	Undefined_Atom_Stereo_Count	0
68100796	Undefined_Bond_Stereo_Count	0
57927934	Mono_Isotopic_Weight	467.21686904
54700	Total_Formal_Charge	0
19516	Hydrogen_Bond_Acceptor_Count	2
22928648	Hydrogen_Bond_Donor_Count	1
4313	TPSA	153
824060	Covalent_Unit_Count	1
365938	Non-hydrogen_Atom_Count	28
413	Rotatable_Bond_Count	1
4282864	Exact_Mass	868.02333415
117768413	Non-hydrogen_Atom_Count	12
88482362	Structure_Complexity	182
12994	Mono_Isotopic_Weight	78.021798072
60155459	XLogP3-AA	1.9
131632429	Rotatable_Bond_Count	10
69332494	Undefined_Atom_Stereo_Count	0
12608294	Structure_Complexity	77.6
65287	Non-hydrogen_Atom_Count	16
653817	Isotope_Atom_Count	0
61041	Exact_Mass	150.104465066
45271369	XLogP3-AA	3.7
450591	Defined_Bond_Stereo_Count	0
11381	Hydrogen_Bond_Acceptor_Count	1
78352	Undefined_Atom_Stereo_Count	0
64627	Mono_Isotopic_Weight	356.22122615
10198055	Undefined_Bond_Stereo_Count	0
16760227	Hydrogen_Bond_Acceptor_Count	7
53630039	Hydrogen_Bond_Donor_Count	0
5054	Exact_Mass	110.036779430
121891	Undefined_Atom_Stereo_Count	0
19966535	Hydrogen_Bond_Donor_Count	4
24860971	Undefined_Atom_Stereo_Count	0
71835	Isotope_Atom_Count	0
71453775	Isotope_Atom_Count	0
54676825	Undefined_Atom_Stereo_Count	2
95198	Structure_Complexity	212
36688490	Rotatable_Bond_Count	2
3036443	Total_Formal_Charge	0
10005402	Undefined_Bond_Stereo_Count	0
119185	Hydrogen_Bond_Acceptor_Count	10
14109	Undefined_Bond_Stereo_Count	0
122316	Structure_Complexity	212
89748954	Hydrogen_Bond_Donor_Count	1
522065	Defined_Atom_Stereo_Count	0
6917738	Isotope_Atom_Count	0
12002774	Defined_Bond_Stereo_Count	0
126547509	TPSA	41.8
25001850	Isotope_Atom_Count	0
2674	Rotatable_Bond_Count	6
123359989	Defined_Atom_Stereo_Count	0
127757	Isotope_Atom_Count	0
89356917	Covalent_Unit_Count	1
11170934	Hydrogen_Bond_Donor_Count	0
11182575	Molecular_Weight	98.14
71311204	Non-hydrogen_Atom_Count	10
19159	Undefined_Atom_Stereo_Count	1
69389	Hydrogen_Bond_Acceptor_Count	1
14263148	Defined_Bond_Stereo_Count	0
21917899	Molecular_Weight	180.20
59059060	Defined_Atom_Stereo_Count	0
10862733	Rotatable_Bond_Count	0
4175	Hydrogen_Bond_Acceptor_Count	4
44093	Structure_Complexity	244
93898	Rotatable_Bond_Count	0
121942	Exact_Mass	356.13186158
6419957	Exact_Mass	1456.4334786
6745	Molecular_Weight	414.7
60198	Undefined_Atom_Stereo_Count	0
146050491	Structure_Complexity	2830
24771782	XLogP3-AA	4.7
118946	Undefined_Atom_Stereo_Count	0
135484128	Molecular_Weight	600.7
10496498	Tautomer_Count	1
9804496	Structure_Complexity	561
44483163	Covalent_Unit_Count	1
7257	Defined_Atom_Stereo_Count	0
45214	Exact_Mass	301.019183
12309465	Structure_Complexity	470
253602	Mono_Isotopic_Weight	265.13140809
144404363	Structure_Complexity	102
9031	Hydrogen_Bond_Acceptor_Count	1
571	Isotope_Atom_Count	0
91994885	Undefined_Bond_Stereo_Count	0
12434709	XLogP3-AA	1.1
131704205	Structure_Complexity	302
135442941	Structure_Complexity	529
165340026	Undefined_Bond_Stereo_Count	0
123678021	Hydrogen_Bond_Acceptor_Count	0
5311425	Isotope_Atom_Count	0
7254	Non-hydrogen_Atom_Count	9
143007	Defined_Bond_Stereo_Count	0
6603945	Molecular_Weight	220.25
76478	Mono_Isotopic_Weight	206.13382109
95162412	Hydrogen_Bond_Donor_Count	8
350445	Defined_Bond_Stereo_Count	0
3239235	Hydrogen_Bond_Donor_Count	2
449459	TPSA	32.7
62963	Total_Formal_Charge	0
7549	XLogP3-AA	0.3
18442682	Molecular_Weight	113.16
60196274	Defined_Atom_Stereo_Count	3
5062	Structure_Complexity	559
74038637	Hydrogen_Bond_Donor_Count	2
123346247	Mono_Isotopic_Weight	108.093900383
10774245	Undefined_Bond_Stereo_Count	0
16133802	Hydrogen_Bond_Acceptor_Count	41
8878	Non-hydrogen_Atom_Count	12
162651	Exact_Mass	79.9377699
75445	Exact_Mass	477.314398257
5282761	Defined_Bond_Stereo_Count	1
7048	Hydrogen_Bond_Donor_Count	0
17894357	Hydrogen_Bond_Acceptor_Count	4
9131	Covalent_Unit_Count	1
4942	Total_Formal_Charge	0
71624581	Undefined_Bond_Stereo_Count	0
9818306	Structure_Complexity	476
12200749	Mono_Isotopic_Weight	96.068748264
13976498	TPSA	0
101001097	Structure_Complexity	770
5289289	Undefined_Atom_Stereo_Count	0
535634	Defined_Bond_Stereo_Count	0
75828	Hydrogen_Bond_Acceptor_Count	1
57972066	Exact_Mass	342.11621151
123542468	Exact_Mass	108.093900383
23160050	Hydrogen_Bond_Donor_Count	0
3037082	Non-hydrogen_Atom_Count	31
39765	Mono_Isotopic_Weight	557.43183330
91851108	Total_Formal_Charge	0
62770	Defined_Bond_Stereo_Count	0
3076	Undefined_Atom_Stereo_Count	2
258618	Defined_Atom_Stereo_Count	0
89664	Structure_Complexity	215
14691612	Undefined_Atom_Stereo_Count	1
11409499	Undefined_Atom_Stereo_Count	0
12561666	Covalent_Unit_Count	1
528405	Structure_Complexity	74.9
18728	Undefined_Atom_Stereo_Count	4
61285	Mono_Isotopic_Weight	227.09799996
55241	Rotatable_Bond_Count	7
81332758	Mono_Isotopic_Weight	111.068413911
88974	Rotatable_Bond_Count	0
57280823	Covalent_Unit_Count	1
38101	Structure_Complexity	261
11040632	Total_Formal_Charge	0
1688	Rotatable_Bond_Count	1
11500273	Non-hydrogen_Atom_Count	20
60196376	Hydrogen_Bond_Donor_Count	1
18324177	Non-hydrogen_Atom_Count	7
10246505	Mono_Isotopic_Weight	338.11542367
75806	Rotatable_Bond_Count	3
66603137	Defined_Bond_Stereo_Count	0
8823	Isotope_Atom_Count	0
192197	Defined_Atom_Stereo_Count	2
60196377	Hydrogen_Bond_Acceptor_Count	2
16212959	Defined_Bond_Stereo_Count	0
10153996	Hydrogen_Bond_Donor_Count	1
57394389	Covalent_Unit_Count	1
11717025	Defined_Atom_Stereo_Count	0
44348524	Mono_Isotopic_Weight	416.32904526
6435	Defined_Atom_Stereo_Count	0
59296111	Rotatable_Bond_Count	7
11309506	Mono_Isotopic_Weight	86.084398327
92155	Molecular_Weight	410.7
94706	Covalent_Unit_Count	1
165609608	Exact_Mass	112.088815002
43704	Molecular_Weight	295.29
9901946	TPSA	60.9
67409219	Defined_Bond_Stereo_Count	0
13511919	TPSA	20.2
71463896	Total_Formal_Charge	0
537025	Covalent_Unit_Count	1
59969	Hydrogen_Bond_Acceptor_Count	3
398579	Exact_Mass	493.16262
834519	Undefined_Atom_Stereo_Count	0
131676399	Rotatable_Bond_Count	1
6387197	Hydrogen_Bond_Donor_Count	0
9604654	Covalent_Unit_Count	1
12814867	Hydrogen_Bond_Donor_Count	1
76579279	Undefined_Bond_Stereo_Count	0
4387	Rotatable_Bond_Count	8
23689980	Undefined_Bond_Stereo_Count	0
10462	Rotatable_Bond_Count	3
108352	Undefined_Bond_Stereo_Count	0
53364510	Undefined_Atom_Stereo_Count	1
64822	Exact_Mass	243.0298355
88035911	Structure_Complexity	459
3965	Defined_Atom_Stereo_Count	0
165986150	Exact_Mass	111.068413911
264082	Total_Formal_Charge	0
22022770	Undefined_Bond_Stereo_Count	0
7579	Molecular_Weight	200.24
45026	Isotope_Atom_Count	0
134836185	TPSA	35.2
935707	Covalent_Unit_Count	1
778159	Structure_Complexity	170
27123	Exact_Mass	444.25118886
16684171	Hydrogen_Bond_Donor_Count	0
673	Hydrogen_Bond_Donor_Count	1
23521592	Exact_Mass	106.053098200
17215	Isotope_Atom_Count	0
197341	Rotatable_Bond_Count	5
57400027	Mono_Isotopic_Weight	351.137162174
2734250	Structure_Complexity	259
18819	Tautomer_Count	1
28459	Defined_Atom_Stereo_Count	0
98608	Total_Formal_Charge	0
1056	Undefined_Atom_Stereo_Count	0
91087911	Isotope_Atom_Count	0
210301	Covalent_Unit_Count	2
267493	Molecular_Weight	259.22
11625386	Undefined_Bond_Stereo_Count	0
54280	Undefined_Bond_Stereo_Count	0
44342925	Structure_Complexity	371
71608540	Defined_Atom_Stereo_Count	2
6409631	Isotope_Atom_Count	0
18984686	Total_Formal_Charge	0
118360420	Undefined_Atom_Stereo_Count	6
232592	Undefined_Atom_Stereo_Count	1
409474	Defined_Atom_Stereo_Count	0
20684416	Covalent_Unit_Count	1
26989	Isotope_Atom_Count	0
4159	Hydrogen_Bond_Donor_Count	3
48104	Exact_Mass	259.1339066
58752	Mono_Isotopic_Weight	496.13000
26929	Hydrogen_Bond_Acceptor_Count	4
16757815	Hydrogen_Bond_Acceptor_Count	16
146159909	Total_Formal_Charge	0
108068	XLogP3-AA	2.3
6950248	Hydrogen_Bond_Donor_Count	1
441328	Hydrogen_Bond_Acceptor_Count	7
21184953	Undefined_Bond_Stereo_Count	0
69095	TPSA	111
41733	Hydrogen_Bond_Acceptor_Count	2
13804280	Structure_Complexity	86.1
121834	Molecular_Weight	308.35
168701	TPSA	108
156422	Hydrogen_Bond_Donor_Count	2
97035	Structure_Complexity	270
15228410	Hydrogen_Bond_Donor_Count	0
20172	Isotope_Atom_Count	0
4722	TPSA	69.9
7472	Hydrogen_Bond_Donor_Count	1
82418997	Non-hydrogen_Atom_Count	8
6787	Covalent_Unit_Count	1
5618	Exact_Mass	350.24570956
23653584	Exact_Mass	489.1255830
23533306	Undefined_Bond_Stereo_Count	0
11695008	Hydrogen_Bond_Acceptor_Count	1
134694678	Undefined_Bond_Stereo_Count	1
326	Total_Formal_Charge	0
418745	Mono_Isotopic_Weight	134.059246208
13084	Defined_Atom_Stereo_Count	0
9547	Mono_Isotopic_Weight	174.141993387
57541295	Hydrogen_Bond_Donor_Count	1
45285	Non-hydrogen_Atom_Count	20
43006	Defined_Bond_Stereo_Count	0
11470068	Hydrogen_Bond_Donor_Count	0
3518	XLogP3-AA	0.5
893322	TPSA	92.9
11423561	Rotatable_Bond_Count	0
33721	Hydrogen_Bond_Donor_Count	1
22185288	Isotope_Atom_Count	0
5251857	Rotatable_Bond_Count	2
172309	XLogP3-AA	3
20607223	Non-hydrogen_Atom_Count	8
18618629	Isotope_Atom_Count	0
131059	Defined_Bond_Stereo_Count	0
67510	Mono_Isotopic_Weight	82.078250319
16129706	Defined_Bond_Stereo_Count	0
10439	Covalent_Unit_Count	1
7785	Covalent_Unit_Count	1
1479	Non-hydrogen_Atom_Count	24
1257	Undefined_Atom_Stereo_Count	2
59772010	Isotope_Atom_Count	0
3121386	TPSA	84
66162	Isotope_Atom_Count	0
18352756	Isotope_Atom_Count	0
53476	Mono_Isotopic_Weight	249.9799641
969212	Defined_Atom_Stereo_Count	2
683563	Total_Formal_Charge	0
5283305	Tautomer_Count	1
86240135	Rotatable_Bond_Count	1
9914412	Defined_Atom_Stereo_Count	0
18934502	Hydrogen_Bond_Acceptor_Count	2
135413525	Exact_Mass	241.09635999
126969014	TPSA	132
59055623	TPSA	0
10157484	Hydrogen_Bond_Acceptor_Count	3
13349554	Structure_Complexity	107
194699	Defined_Bond_Stereo_Count	0
477	Non-hydrogen_Atom_Count	28
56643420	Hydrogen_Bond_Acceptor_Count	4
44565798	Non-hydrogen_Atom_Count	23
13736254	Non-hydrogen_Atom_Count	8
120393	Exact_Mass	280.0866221
11815279	Non-hydrogen_Atom_Count	6
91662	Undefined_Atom_Stereo_Count	0
4722	Defined_Bond_Stereo_Count	0
3164136	Non-hydrogen_Atom_Count	10
13573327	Hydrogen_Bond_Acceptor_Count	0
138170	TPSA	0
71584405	Non-hydrogen_Atom_Count	30
29025	Defined_Bond_Stereo_Count	0
43231	Defined_Bond_Stereo_Count	0
97931	Rotatable_Bond_Count	5
14251035	Non-hydrogen_Atom_Count	8
91981561	Defined_Bond_Stereo_Count	0
64666310	Rotatable_Bond_Count	3
8006	XLogP3-AA	1.9
3378440	Hydrogen_Bond_Acceptor_Count	8
129600762	TPSA	190
37524	Hydrogen_Bond_Donor_Count	2
13632	Isotope_Atom_Count	0
67518639	Defined_Atom_Stereo_Count	3
19067979	Undefined_Atom_Stereo_Count	0
67849558	Isotope_Atom_Count	0
22323434	Structure_Complexity	551
8543	Tautomer_Count	9
6946	Hydrogen_Bond_Acceptor_Count	3
71012	Hydrogen_Bond_Acceptor_Count	1
53784863	TPSA	30.5
7170	Total_Formal_Charge	0
31265	Structure_Complexity	89.3
11815296	Isotope_Atom_Count	0
42715	Hydrogen_Bond_Donor_Count	0
1016	Hydrogen_Bond_Acceptor_Count	7
84354	Tautomer_Count	3
31593	Mono_Isotopic_Weight	260.09094026
99807	Rotatable_Bond_Count	7
11584	Rotatable_Bond_Count	3
7500	Total_Formal_Charge	0
84923	Defined_Atom_Stereo_Count	0
16667669	Hydrogen_Bond_Acceptor_Count	10
16724	Total_Formal_Charge	0
54686904	Rotatable_Bond_Count	7
4962	XLogP3-AA	0.7
3243927	XLogP3-AA	2.7
23675320	TPSA	141
12950123	Total_Formal_Charge	0
12423177	Hydrogen_Bond_Acceptor_Count	2
396680	Covalent_Unit_Count	1
12256	Total_Formal_Charge	0
5460135	Undefined_Bond_Stereo_Count	0
13979010	Hydrogen_Bond_Donor_Count	1
25023854	Isotope_Atom_Count	0
21138	Molecular_Weight	259.34
53803945	Non-hydrogen_Atom_Count	8
1382043	Total_Formal_Charge	0
784510	Covalent_Unit_Count	1
54675768	Covalent_Unit_Count	1
6451149	Rotatable_Bond_Count	5
596	Exact_Mass	243.08552052
8275	Defined_Bond_Stereo_Count	0
20784557	Non-hydrogen_Atom_Count	8
28540	Rotatable_Bond_Count	4
17865372	Isotope_Atom_Count	0
101977	Defined_Bond_Stereo_Count	0
12634653	Total_Formal_Charge	0
87639	Hydrogen_Bond_Acceptor_Count	0
5093953	Defined_Bond_Stereo_Count	0
136515	Non-hydrogen_Atom_Count	8
81668	Undefined_Bond_Stereo_Count	0
66169	Undefined_Atom_Stereo_Count	0
22096	Hydrogen_Bond_Acceptor_Count	7
12425308	Hydrogen_Bond_Acceptor_Count	3
53211	Hydrogen_Bond_Donor_Count	6
77912	TPSA	83
68740500	Isotope_Atom_Count	0
2085	XLogP3	3.2
5282242	Molecular_Weight	410.4
7115	Total_Formal_Charge	0
5372405	Defined_Bond_Stereo_Count	1
544590	Defined_Bond_Stereo_Count	0
83679654	Hydrogen_Bond_Donor_Count	1
49866945	Molecular_Weight	663.3
69425	Molecular_Weight	250.5
16606	Undefined_Bond_Stereo_Count	0
66587032	Mono_Isotopic_Weight	424.09431117
44520	Mono_Isotopic_Weight	224.201439453
10027816	Total_Formal_Charge	0
86307	TPSA	49.4
10953450	Rotatable_Bond_Count	2
141268723	Hydrogen_Bond_Donor_Count	0
9829639	Hydrogen_Bond_Acceptor_Count	11
59882246	XLogP3-AA	0.2
12231139	XLogP3-AA	1.2
129784240	Exact_Mass	110.02286070
31297	Tautomer_Count	1
5243	Molecular_Weight	437.4
20392	Isotope_Atom_Count	0
4921	Rotatable_Bond_Count	23
2775641	Defined_Atom_Stereo_Count	0
142	Mono_Isotopic_Weight	251.10183929
443311	Defined_Bond_Stereo_Count	0
2762874	Defined_Atom_Stereo_Count	0
398116	Hydrogen_Bond_Donor_Count	0
44123551	Undefined_Bond_Stereo_Count	0
148191	XLogP3-AA	5.6
20262	Tautomer_Count	3
5284472	Covalent_Unit_Count	3
137655	TPSA	0
63996	Covalent_Unit_Count	1
6957965	TPSA	85.6
23679632	Isotope_Atom_Count	0
17787	Defined_Atom_Stereo_Count	0
138991760	Non-hydrogen_Atom_Count	38
9908306	Isotope_Atom_Count	0
5330197	Defined_Bond_Stereo_Count	0
76118878	Defined_Bond_Stereo_Count	0
517859	Molecular_Weight	110.15
91497205	Hydrogen_Bond_Donor_Count	1
84647714	Defined_Atom_Stereo_Count	0
70280881	Structure_Complexity	241
123618	Covalent_Unit_Count	1
107977	Exact_Mass	143.131014166
518727	Undefined_Bond_Stereo_Count	0
600	Isotope_Atom_Count	0
62140646	Non-hydrogen_Atom_Count	8
5452	Structure_Complexity	432
54487968	Non-hydrogen_Atom_Count	8
3037456	XLogP3-AA	3.2
517106	Molecular_Weight	236.05
2200	Hydrogen_Bond_Acceptor_Count	2
25102937	Defined_Atom_Stereo_Count	1
557445	Non-hydrogen_Atom_Count	8
123841971	Defined_Bond_Stereo_Count	0
22737404	Hydrogen_Bond_Acceptor_Count	3
319344	Rotatable_Bond_Count	13
2899204	TPSA	53
10175126	Undefined_Bond_Stereo_Count	0
152754843	Undefined_Bond_Stereo_Count	0
9613	Non-hydrogen_Atom_Count	8
70689318	XLogP3-AA	3.6
25271631	Defined_Bond_Stereo_Count	0
104865206	TPSA	41.8
6093241	Tautomer_Count	1
25113190	Mono_Isotopic_Weight	763.08391013
10953453	Defined_Atom_Stereo_Count	0
21724548	Structure_Complexity	645
8052	Molecular_Weight	116.16
9873	Hydrogen_Bond_Donor_Count	0
288862	Hydrogen_Bond_Acceptor_Count	0
589863	Rotatable_Bond_Count	0
1005	Exact_Mass	167.98237487
140203	TPSA	44.2
5282474	Total_Formal_Charge	0
141704	Isotope_Atom_Count	0
163050682	Hydrogen_Bond_Donor_Count	1
24367	Structure_Complexity	322
58154	Undefined_Atom_Stereo_Count	0
11281011	Molecular_Weight	399.9
68310	Isotope_Atom_Count	0
9954082	Mono_Isotopic_Weight	423.2904073
11043	Defined_Atom_Stereo_Count	0
23355	TPSA	72.7
136838	XLogP3-AA	3
4975	Isotope_Atom_Count	0
8863	Hydrogen_Bond_Acceptor_Count	3
93535113	Rotatable_Bond_Count	0
691156	Defined_Atom_Stereo_Count	0
1434	Covalent_Unit_Count	1
145945090	TPSA	467
7341	Exact_Mass	116.083729621
49787489	Undefined_Bond_Stereo_Count	0
99730	Isotope_Atom_Count	0
2803	Tautomer_Count	2
71580	Mono_Isotopic_Weight	247.0975211
54522	Defined_Atom_Stereo_Count	0
87299033	Hydrogen_Bond_Donor_Count	3
220175	Defined_Bond_Stereo_Count	0
123565918	Mono_Isotopic_Weight	108.093900383
137735	TPSA	28.7
5223	Undefined_Bond_Stereo_Count	4
11815284	Structure_Complexity	23.5
54581630	Isotope_Atom_Count	0
31472	Tautomer_Count	1
57449500	Mono_Isotopic_Weight	95.073499291
71648	Hydrogen_Bond_Acceptor_Count	3
2723755	Hydrogen_Bond_Acceptor_Count	2
97994	XLogP3-AA	2.9
74	Undefined_Atom_Stereo_Count	5
522448	Exact_Mass	100.088815002
91722674	XLogP3-AA	4.2
44567097	Undefined_Bond_Stereo_Count	0
14412169	Molecular_Weight	96.13
70684312	Total_Formal_Charge	0
14294229	Total_Formal_Charge	0
18851	Total_Formal_Charge	0
44392220	Hydrogen_Bond_Acceptor_Count	3
53818	Exact_Mass	298.15287181
16757678	Molecular_Weight	288.4
57417608	Undefined_Bond_Stereo_Count	0
16240279	Structure_Complexity	910
75783	TPSA	574
18542107	Isotope_Atom_Count	0
11499	Defined_Atom_Stereo_Count	0
528856	Exact_Mass	196.04141403
131801164	Rotatable_Bond_Count	7
120096	Tautomer_Count	1
14453672	Molecular_Weight	114.19
367985	XLogP3-AA	2.9
4011	Covalent_Unit_Count	1
8326	Structure_Complexity	291
55284046	Defined_Bond_Stereo_Count	0
52940549	Exact_Mass	680.37717722
121945	Isotope_Atom_Count	0
10167713	Structure_Complexity	1020
23664290	Undefined_Bond_Stereo_Count	0
34005	Hydrogen_Bond_Acceptor_Count	2
7195	Rotatable_Bond_Count	0
5148195	Hydrogen_Bond_Donor_Count	0
513955	Mono_Isotopic_Weight	653.32470541
66727	TPSA	42.2
10877070	Isotope_Atom_Count	0
56659844	Total_Formal_Charge	0
77470	Undefined_Bond_Stereo_Count	0
340026	Hydrogen_Bond_Acceptor_Count	6
30097	Molecular_Weight	562.6
93843	Covalent_Unit_Count	1
13201	Tautomer_Count	1
67938294	Non-hydrogen_Atom_Count	7
441328	Defined_Atom_Stereo_Count	2
3047810	TPSA	80.7
11855	Isotope_Atom_Count	0
10898663	Undefined_Atom_Stereo_Count	1
12532405	Rotatable_Bond_Count	0
9815299	Structure_Complexity	154
56927704	Defined_Atom_Stereo_Count	8
14296346	Defined_Atom_Stereo_Count	0
9537	Isotope_Atom_Count	0
5068681	Hydrogen_Bond_Donor_Count	3
25072741	Exact_Mass	431.14567599
6437842	Isotope_Atom_Count	0
60155182	Hydrogen_Bond_Donor_Count	0
101306862	TPSA	136
1438248	Non-hydrogen_Atom_Count	25
224167	Non-hydrogen_Atom_Count	21
10478	Hydrogen_Bond_Donor_Count	0
5334356	Covalent_Unit_Count	1
856	Defined_Bond_Stereo_Count	0
6537503	XLogP3-AA	0.8
3483736	TPSA	27.6
46203139	Defined_Atom_Stereo_Count	9
636371	Molecular_Weight	372.24
71456725	Isotope_Atom_Count	0
25071151	Defined_Atom_Stereo_Count	0
10046567	Non-hydrogen_Atom_Count	29
17672	Undefined_Bond_Stereo_Count	0
66828839	Defined_Atom_Stereo_Count	7
7034	XLogP3	4.9
66124	Undefined_Atom_Stereo_Count	0
5384136	Covalent_Unit_Count	2
20614524	Isotope_Atom_Count	0
24456	Hydrogen_Bond_Acceptor_Count	8
539077	Undefined_Bond_Stereo_Count	0
8282	Molecular_Weight	119.16
22779	Undefined_Atom_Stereo_Count	1
78202	Structure_Complexity	129
523523	Mono_Isotopic_Weight	96.093900383
6918837	Exact_Mass	349.17902698
3073200	Molecular_Weight	246.21
13625	Hydrogen_Bond_Acceptor_Count	2
528630	Hydrogen_Bond_Donor_Count	1
13401998	Hydrogen_Bond_Donor_Count	1
212	Non-hydrogen_Atom_Count	24
59755734	Hydrogen_Bond_Acceptor_Count	1
117899707	Exact_Mass	116.083729621
25240297	Covalent_Unit_Count	1
378443	Hydrogen_Bond_Donor_Count	0
52987927	Hydrogen_Bond_Donor_Count	2
84420187	Molecular_Weight	192.17
27655	Exact_Mass	151.9876363
89145326	Undefined_Bond_Stereo_Count	0
99129	Covalent_Unit_Count	1
135052535	Mono_Isotopic_Weight	116.047344113
444795	Covalent_Unit_Count	1
4235	Undefined_Bond_Stereo_Count	0
133562683	TPSA	289
12947	Undefined_Bond_Stereo_Count	0
11702	Covalent_Unit_Count	1
9862936	Undefined_Bond_Stereo_Count	0
6336	Structure_Complexity	345
136730	Mono_Isotopic_Weight	110.048012819
67547	Rotatable_Bond_Count	12
36552	Structure_Complexity	744
5353831	Defined_Atom_Stereo_Count	0
124202907	Undefined_Bond_Stereo_Count	0
137118	Molecular_Weight	96.17
22833341	Rotatable_Bond_Count	17
12375523	Molecular_Weight	100.16
31233	Defined_Bond_Stereo_Count	0
21702831	Mono_Isotopic_Weight	111.068413911
96509	Total_Formal_Charge	0
73961	Tautomer_Count	1
11083476	Defined_Atom_Stereo_Count	8
91878	Defined_Bond_Stereo_Count	0
7959	Defined_Atom_Stereo_Count	0
53384398	Rotatable_Bond_Count	12
826477	Mono_Isotopic_Weight	334.1003540
36190	Covalent_Unit_Count	1
85653	Defined_Atom_Stereo_Count	0
71680844	Undefined_Atom_Stereo_Count	1
25074887	Mono_Isotopic_Weight	1429.6698184
76973294	TPSA	57.2
621558	TPSA	118
11516136	TPSA	64.6
11499204	Isotope_Atom_Count	0
24729360	Exact_Mass	358.1547017
10020475	Total_Formal_Charge	0
123998	Tautomer_Count	1000
146159501	Undefined_Bond_Stereo_Count	1
10887844	Defined_Bond_Stereo_Count	0
6604561	Total_Formal_Charge	0
9988	XLogP3-AA	0.9
56949747	Exact_Mass	417.20524173
579338	Non-hydrogen_Atom_Count	9
143337	Defined_Atom_Stereo_Count	0
928	Total_Formal_Charge	0
118023034	Total_Formal_Charge	0
14493	Defined_Atom_Stereo_Count	0
216294	Total_Formal_Charge	0
24828759	Defined_Bond_Stereo_Count	0
18467	Rotatable_Bond_Count	1
10220511	Defined_Atom_Stereo_Count	0
16050931	Isotope_Atom_Count	0
5357	Molecular_Weight	354.5
14601092	XLogP3	4.3
87074	Hydrogen_Bond_Donor_Count	1
158729741	Hydrogen_Bond_Acceptor_Count	4
11561538	Defined_Bond_Stereo_Count	0
68535	TPSA	37.3
53372724	Exact_Mass	526.25735413
258618	Defined_Bond_Stereo_Count	0
69453791	Defined_Bond_Stereo_Count	0
129320459	Covalent_Unit_Count	1
51003592	Covalent_Unit_Count	1
542680	Structure_Complexity	72.1
21584661	Defined_Bond_Stereo_Count	0
98452	Exact_Mass	116.047344113
6506	Hydrogen_Bond_Donor_Count	1
66586218	Defined_Atom_Stereo_Count	3
16584	Structure_Complexity	129
9969613	TPSA	80.5
15825450	Mono_Isotopic_Weight	98.073164938
130271321	XLogP3-AA	0.8
72307	Defined_Bond_Stereo_Count	0
134695341	Non-hydrogen_Atom_Count	55
13783517	Total_Formal_Charge	0
7196	XLogP3	0.4
5484131	Defined_Atom_Stereo_Count	2
9936746	Exact_Mass	491.1182738
5311169	Non-hydrogen_Atom_Count	96
2186	Undefined_Atom_Stereo_Count	0
54058352	Non-hydrogen_Atom_Count	8
10992	Rotatable_Bond_Count	4
47898	Covalent_Unit_Count	1
2342	Non-hydrogen_Atom_Count	29
28620	Exact_Mass	942.48243013
57404062	Hydrogen_Bond_Acceptor_Count	10
521156	Isotope_Atom_Count	0
44571105	Isotope_Atom_Count	0
2846	Mono_Isotopic_Weight	662.41556884
638081	Rotatable_Bond_Count	0
2752648	Hydrogen_Bond_Acceptor_Count	1
107782	Hydrogen_Bond_Donor_Count	4
39764	Non-hydrogen_Atom_Count	41
708614	Isotope_Atom_Count	0
11366	Non-hydrogen_Atom_Count	27
56840896	Structure_Complexity	492
53320444	Defined_Atom_Stereo_Count	0
20055423	Defined_Atom_Stereo_Count	8
127030167	Undefined_Atom_Stereo_Count	0
5280896	TPSA	74.6
21822	Total_Formal_Charge	0
44144474	Molecular_Weight	631.8
21672	Hydrogen_Bond_Acceptor_Count	2
784	Mono_Isotopic_Weight	34.005479302
53720955	Molecular_Weight	109.13
96859	Undefined_Bond_Stereo_Count	0
16170	Structure_Complexity	372
12434511	XLogP3-AA	0.1
30185	Defined_Bond_Stereo_Count	0
845646	Hydrogen_Bond_Donor_Count	1
135398654	Defined_Atom_Stereo_Count	3
637932	Undefined_Atom_Stereo_Count	0
49868115	Hydrogen_Bond_Acceptor_Count	4
199605	Mono_Isotopic_Weight	187.136099547
76168	Exact_Mass	318.0326684
16842	TPSA	37.4
612684	Exact_Mass	218.03275668
22762494	Structure_Complexity	40.8
15174929	Defined_Bond_Stereo_Count	0
4201	Covalent_Unit_Count	1
14029615	Exact_Mass	168.151415257
15448	Hydrogen_Bond_Acceptor_Count	1
117715670	Molecular_Weight	382.9
69064	Covalent_Unit_Count	1
75322	Undefined_Atom_Stereo_Count	0
24181476	Hydrogen_Bond_Donor_Count	1
3828	Hydrogen_Bond_Donor_Count	0
13760528	Total_Formal_Charge	0
91511	Tautomer_Count	1
10242	Structure_Complexity	327
681183	Non-hydrogen_Atom_Count	22
2729	Defined_Bond_Stereo_Count	0
9864881	Defined_Bond_Stereo_Count	1
135398599	Tautomer_Count	6
124744577	Isotope_Atom_Count	0
11286	Covalent_Unit_Count	1
4596	Defined_Bond_Stereo_Count	0
163866164	Defined_Atom_Stereo_Count	0
11473	Defined_Bond_Stereo_Count	0
69785	Mono_Isotopic_Weight	498.9534782
9843941	Mono_Isotopic_Weight	400.19982200
91772	Non-hydrogen_Atom_Count	26
458426	Non-hydrogen_Atom_Count	14
57780676	Molecular_Weight	102.14
13042689	Mono_Isotopic_Weight	112.088815002
155907170	TPSA	186
9817140	Undefined_Bond_Stereo_Count	0
12774278	Defined_Atom_Stereo_Count	1
320	Isotope_Atom_Count	0
10341154	Undefined_Atom_Stereo_Count	0
42580058	Exact_Mass	342.11621151
9741	Structure_Complexity	64.9
154083	Rotatable_Bond_Count	2
57514725	Mono_Isotopic_Weight	451.97248157
135564632	Hydrogen_Bond_Acceptor_Count	4
233916	Covalent_Unit_Count	1
12729	Hydrogen_Bond_Acceptor_Count	2
11990	TPSA	52
7319	Non-hydrogen_Atom_Count	13
611162	Defined_Bond_Stereo_Count	0
6263	Structure_Complexity	45.5
40510	Undefined_Atom_Stereo_Count	0
59567216	Covalent_Unit_Count	1
750204	Hydrogen_Bond_Donor_Count	1
85588	Hydrogen_Bond_Donor_Count	0
13924394	Molecular_Weight	112.13
21894213	Mono_Isotopic_Weight	199.12084340
75905	Isotope_Atom_Count	0
344644	Isotope_Atom_Count	0
70421410	Hydrogen_Bond_Acceptor_Count	3
21152	Non-hydrogen_Atom_Count	16
65407	TPSA	185
25975	Covalent_Unit_Count	1
5353593	Non-hydrogen_Atom_Count	20
83763	Covalent_Unit_Count	1
12358497	Total_Formal_Charge	0
11306073	Covalent_Unit_Count	3
84036	Structure_Complexity	1510
18730079	Isotope_Atom_Count	0
145391309	Exact_Mass	101.047678466
12661295	Isotope_Atom_Count	0
22481042	Isotope_Atom_Count	0
5288725	Undefined_Atom_Stereo_Count	0
248333	Undefined_Bond_Stereo_Count	0
5360134	Defined_Atom_Stereo_Count	0
68156	Covalent_Unit_Count	1
3137736	Hydrogen_Bond_Donor_Count	1
10679	Hydrogen_Bond_Donor_Count	2
154240696	Defined_Atom_Stereo_Count	0
49868115	Mono_Isotopic_Weight	233.800115
14274724	Total_Formal_Charge	0
16668	XLogP3	3.6
107971	TPSA	146
410806	Isotope_Atom_Count	0
13485108	Defined_Bond_Stereo_Count	0
54215450	Molecular_Weight	101.10
60287	Molecular_Weight	263.37
13023558	XLogP3-AA	0.6
148121	Non-hydrogen_Atom_Count	35
124426477	Isotope_Atom_Count	0
535479	TPSA	26.8
4990	Hydrogen_Bond_Donor_Count	2
71661882	Hydrogen_Bond_Donor_Count	1
123919	Structure_Complexity	163
102175	Defined_Bond_Stereo_Count	0
2618	TPSA	235
56626310	Hydrogen_Bond_Donor_Count	0
54550804	Exact_Mass	109.052763847
53373584	Mono_Isotopic_Weight	837.49281610
5281915	Total_Formal_Charge	0
5372174	Covalent_Unit_Count	1
59750537	Molecular_Weight	83.13
7659	TPSA	26.3
71433133	Molecular_Weight	111.14
4045	Undefined_Bond_Stereo_Count	0
704481	Non-hydrogen_Atom_Count	24
22505735	Exact_Mass	98.084398327
129722587	Undefined_Atom_Stereo_Count	0
13207481	Defined_Bond_Stereo_Count	0
47319	Mono_Isotopic_Weight	928.50852574
1424	Rotatable_Bond_Count	14
13003788	Total_Formal_Charge	0
118984450	Exact_Mass	5805.6443599
439236	Covalent_Unit_Count	1
71894	Defined_Atom_Stereo_Count	0
479307	TPSA	52
50023	Defined_Atom_Stereo_Count	0
20294925	Isotope_Atom_Count	0
7451	Exact_Mass	201.9588348
18407200	Undefined_Atom_Stereo_Count	0
19665	Total_Formal_Charge	0
13050	Defined_Atom_Stereo_Count	0
5275508	Total_Formal_Charge	0
10200589	Molecular_Weight	393.4
520478	Isotope_Atom_Count	0
141407094	Defined_Bond_Stereo_Count	0
28557	Non-hydrogen_Atom_Count	18
44392087	Rotatable_Bond_Count	11
29761	XLogP3	2.8
14069104	Structure_Complexity	148
2995	TPSA	15.3
16052015	Defined_Atom_Stereo_Count	8
21103	TPSA	41.5
6850813	Structure_Complexity	237
17475	TPSA	29.1
146158693	TPSA	58.9
87401	Total_Formal_Charge	0
71406	Molecular_Weight	574.8
6916033	Tautomer_Count	1
12639	Defined_Atom_Stereo_Count	0
447	Undefined_Atom_Stereo_Count	0
5367719	Total_Formal_Charge	0
637578	Rotatable_Bond_Count	3
21625926	Non-hydrogen_Atom_Count	7
25023837	XLogP3-AA	4.3
140999	Mono_Isotopic_Weight	85.089149355
18760539	Structure_Complexity	50
44623937	XLogP3-AA	3
2723694	Covalent_Unit_Count	1
23363597	Non-hydrogen_Atom_Count	10
11275562	Rotatable_Bond_Count	0
74695	Rotatable_Bond_Count	0
25054	Defined_Bond_Stereo_Count	0
90581	Non-hydrogen_Atom_Count	6
68583	Structure_Complexity	901
7856	Structure_Complexity	41.2
725544	Hydrogen_Bond_Donor_Count	2
13620760	Structure_Complexity	108
801132	Non-hydrogen_Atom_Count	25
13628993	Covalent_Unit_Count	3
6473876	Molecular_Weight	1202.6
610978	Exact_Mass	209.95411
17963183	Total_Formal_Charge	0
8667	Undefined_Bond_Stereo_Count	0
740	Non-hydrogen_Atom_Count	16
13577	Hydrogen_Bond_Acceptor_Count	1
23557886	Covalent_Unit_Count	1
161218	Hydrogen_Bond_Acceptor_Count	8
15951488	Non-hydrogen_Atom_Count	26
3033012	TPSA	37.3
67645	Mono_Isotopic_Weight	520.9695404
56944144	TPSA	77
15080	Covalent_Unit_Count	1
3005573	Rotatable_Bond_Count	9
61325	Defined_Bond_Stereo_Count	0
137699054	Covalent_Unit_Count	1
49864506	Non-hydrogen_Atom_Count	20
13853	Exact_Mass	86.073164938
7454	Exact_Mass	277.87649
14707	Tautomer_Count	3
408714	Hydrogen_Bond_Acceptor_Count	1
111206	Structure_Complexity	55
486543	Structure_Complexity	880
278715	Covalent_Unit_Count	1
55278707	Mono_Isotopic_Weight	98.048012819
93500	XLogP3	3.4
173636	Total_Formal_Charge	0
9938420	Undefined_Bond_Stereo_Count	0
36667	Molecular_Weight	289.4
152986859	Covalent_Unit_Count	1
53656122	Defined_Atom_Stereo_Count	1
91323352	Molecular_Weight	453.5
9793992	TPSA	104
140784	TPSA	0
45095	Exact_Mass	333.0534634
3081386	Rotatable_Bond_Count	11
460516	Mono_Isotopic_Weight	244.08076950
69968	Isotope_Atom_Count	0
3593	Rotatable_Bond_Count	2
21133868	Defined_Bond_Stereo_Count	0
137705128	Hydrogen_Bond_Acceptor_Count	14
460129	Mono_Isotopic_Weight	173.04365571
54046	XLogP3-AA	2.8
166556	Defined_Bond_Stereo_Count	0
9530	Molecular_Weight	204.24
62705687	TPSA	126
22833307	Covalent_Unit_Count	1
90983396	Covalent_Unit_Count	1
6857474	Hydrogen_Bond_Donor_Count	2
11289630	TPSA	138
9846875	Total_Formal_Charge	0
36186	Rotatable_Bond_Count	1
224167	Structure_Complexity	450
10578	Defined_Atom_Stereo_Count	0
99404	Molecular_Weight	228.31
24180695	Molecular_Weight	209.24
57625	Covalent_Unit_Count	3
864	XLogP3-AA	1.7
123867503	TPSA	0
171829	Undefined_Atom_Stereo_Count	0
44407558	Exact_Mass	289.04558772
20056755	Undefined_Bond_Stereo_Count	0
19873782	Hydrogen_Bond_Donor_Count	1
31357	Undefined_Atom_Stereo_Count	0
20188397	Rotatable_Bond_Count	0
170249	Non-hydrogen_Atom_Count	10
736351	Isotope_Atom_Count	0
9828310	Rotatable_Bond_Count	19
53894233	Hydrogen_Bond_Donor_Count	0
11815824	XLogP3-AA	1.5
397	Undefined_Bond_Stereo_Count	0
9909202	Total_Formal_Charge	0
13270940	Non-hydrogen_Atom_Count	7
442461	Isotope_Atom_Count	0
62305	Exact_Mass	520.0471473
10328936	Tautomer_Count	1001
68888	XLogP3-AA	0.8
86583	TPSA	20.2
81011	Hydrogen_Bond_Donor_Count	4
61282	Undefined_Bond_Stereo_Count	0
2733335	TPSA	152
593379	Defined_Bond_Stereo_Count	0
16019977	Defined_Atom_Stereo_Count	0
4712	Non-hydrogen_Atom_Count	27
117717939	Defined_Atom_Stereo_Count	1
317883	Total_Formal_Charge	0
58750499	Hydrogen_Bond_Acceptor_Count	2
2734819	Defined_Atom_Stereo_Count	0
44305779	Undefined_Bond_Stereo_Count	0
11848	Defined_Bond_Stereo_Count	0
176265	Mono_Isotopic_Weight	263.17077098
44392088	Covalent_Unit_Count	1
3355	Isotope_Atom_Count	0
54601732	Mono_Isotopic_Weight	765.18484335
66615627	Hydrogen_Bond_Acceptor_Count	6
86956	Covalent_Unit_Count	1
134688573	Molecular_Weight	496.6
156595875	Hydrogen_Bond_Acceptor_Count	18
69561	Mono_Isotopic_Weight	318.99083258
578771	Total_Formal_Charge	0
13196775	Undefined_Atom_Stereo_Count	0
11332471	Hydrogen_Bond_Donor_Count	1
11669698	Mono_Isotopic_Weight	456.10564683
135564654	Structure_Complexity	1110
89737	Undefined_Atom_Stereo_Count	0
76035516	Defined_Bond_Stereo_Count	0
68809	Defined_Atom_Stereo_Count	0
69647192	Mono_Isotopic_Weight	113.047678466
639970	Isotope_Atom_Count	0
21331354	Defined_Bond_Stereo_Count	0
35763	Isotope_Atom_Count	0
259821	Non-hydrogen_Atom_Count	10
54388248	Mono_Isotopic_Weight	112.088815002
71584166	Rotatable_Bond_Count	4
12448	Exact_Mass	301.157897619
15482943	XLogP3-AA	1.1
2752648	Isotope_Atom_Count	0
9179	Exact_Mass	229.089149355
5257437	TPSA	0
702695	Structure_Complexity	244
9903410	Hydrogen_Bond_Acceptor_Count	4
68953	Defined_Bond_Stereo_Count	0
19659	Defined_Atom_Stereo_Count	0
123969926	Mono_Isotopic_Weight	116.083729621
47	Hydrogen_Bond_Acceptor_Count	3
5415	Hydrogen_Bond_Donor_Count	7
23724827	Hydrogen_Bond_Donor_Count	3
90657410	Molecular_Weight	620.7
156252	Undefined_Atom_Stereo_Count	0
22016574	Mono_Isotopic_Weight	99.068413911
443945	Undefined_Bond_Stereo_Count	0
52946076	Total_Formal_Charge	0
11840951	Hydrogen_Bond_Acceptor_Count	5
6652	Mono_Isotopic_Weight	204.151415257
5047019	Exact_Mass	167.03443370
136254592	Covalent_Unit_Count	1
5288494	Isotope_Atom_Count	0
76225402	Total_Formal_Charge	0
969516	Defined_Atom_Stereo_Count	0
13012252	Undefined_Bond_Stereo_Count	0
57016488	Rotatable_Bond_Count	2
11396600	Rotatable_Bond_Count	7
4685	Undefined_Atom_Stereo_Count	0
148335	Molecular_Weight	259.10
13009	Defined_Bond_Stereo_Count	0
543879	Tautomer_Count	3
19283	Undefined_Bond_Stereo_Count	0
53728	Hydrogen_Bond_Donor_Count	0
12732836	Defined_Bond_Stereo_Count	0
11608582	Covalent_Unit_Count	1
2512	Hydrogen_Bond_Acceptor_Count	4
5288209	Rotatable_Bond_Count	6
18016	Rotatable_Bond_Count	16
3002003	Isotope_Atom_Count	0
135398495	Exact_Mass	381.19132300
37723	Defined_Atom_Stereo_Count	35
9984441	Exact_Mass	529.21726296
69371	Hydrogen_Bond_Donor_Count	2
986	TPSA	389
73902	Undefined_Atom_Stereo_Count	0
84762050	TPSA	46.3
23674098	Undefined_Atom_Stereo_Count	0
5534	Defined_Atom_Stereo_Count	0
23667630	Non-hydrogen_Atom_Count	30
703	Non-hydrogen_Atom_Count	53
409384	Rotatable_Bond_Count	2
4827	Exact_Mass	479.17835
5284369	Mono_Isotopic_Weight	253.110278721
49869172	Exact_Mass	404.22122615
71840	Undefined_Atom_Stereo_Count	0
140147	Molecular_Weight	96.13
26098	Isotope_Atom_Count	0
667490	Hydrogen_Bond_Donor_Count	2
12671783	Structure_Complexity	126
90425973	Hydrogen_Bond_Donor_Count	1
15182444	Undefined_Bond_Stereo_Count	0
71584056	Undefined_Bond_Stereo_Count	0
129876172	Rotatable_Bond_Count	4
13510025	XLogP3-AA	0
87251056	Structure_Complexity	174
22563961	Hydrogen_Bond_Acceptor_Count	1
6921800	Total_Formal_Charge	1
20276	TPSA	0
11182600	Molecular_Weight	117.15
39521	XLogP3-AA	0.6
194338	Hydrogen_Bond_Donor_Count	2
8621	Exact_Mass	189.9952203
3141	Undefined_Bond_Stereo_Count	0
91010248	XLogP3-AA	3.4
544356	Molecular_Weight	274.4
92326	Total_Formal_Charge	0
38853	Undefined_Bond_Stereo_Count	0
84647648	Total_Formal_Charge	0
10129928	Undefined_Bond_Stereo_Count	0
10357919	Hydrogen_Bond_Donor_Count	1
19016	TPSA	32.1
2733939	Non-hydrogen_Atom_Count	25
45488108	Undefined_Atom_Stereo_Count	0
11236353	Exact_Mass	453.13584202
60960	Hydrogen_Bond_Acceptor_Count	4
24233	Undefined_Bond_Stereo_Count	0
87063833	Isotope_Atom_Count	0
27284	Defined_Bond_Stereo_Count	0
87476740	Undefined_Atom_Stereo_Count	0
123804812	Hydrogen_Bond_Donor_Count	0
1018	Hydrogen_Bond_Donor_Count	1
82191	Non-hydrogen_Atom_Count	8
7175	Molecular_Weight	180.20
28183	Structure_Complexity	340
3437285	Defined_Atom_Stereo_Count	0
67520	Structure_Complexity	37
11509	XLogP3-AA	1.2
63656079	Rotatable_Bond_Count	2
135921797	Undefined_Bond_Stereo_Count	0
15897928	Total_Formal_Charge	0
486	Undefined_Bond_Stereo_Count	0
274427	Structure_Complexity	105
633366	Structure_Complexity	335
15174357	Covalent_Unit_Count	1
77245	Structure_Complexity	218
146468	Mono_Isotopic_Weight	182.084398327
87863	Non-hydrogen_Atom_Count	23
3034285	Hydrogen_Bond_Donor_Count	0
5205	Undefined_Bond_Stereo_Count	0
57725	Mono_Isotopic_Weight	286.099379685
54136224	Non-hydrogen_Atom_Count	8
10899282	Undefined_Bond_Stereo_Count	0
135440068	Molecular_Weight	267.24
24181320	Isotope_Atom_Count	0
17683	Isotope_Atom_Count	0
206567	Undefined_Atom_Stereo_Count	0
217048	Rotatable_Bond_Count	12
2522	Tautomer_Count	1
358641	Defined_Bond_Stereo_Count	0
606430	Covalent_Unit_Count	1
60196372	Isotope_Atom_Count	0
4937	Molecular_Weight	229.71
56955286	Exact_Mass	367.168462302
108147	Molecular_Weight	842.0
53818	Undefined_Bond_Stereo_Count	0
442912	Hydrogen_Bond_Donor_Count	1
62817	Structure_Complexity	152
524766	Rotatable_Bond_Count	2
6509724	Mono_Isotopic_Weight	534.2132792
35459	Non-hydrogen_Atom_Count	12
14815775	XLogP3-AA	0.1
84647732	Non-hydrogen_Atom_Count	8
40701	Hydrogen_Bond_Donor_Count	0
57372628	Total_Formal_Charge	0
88948	Covalent_Unit_Count	1
13334205	Covalent_Unit_Count	1
9552077	Isotope_Atom_Count	0
3000322	TPSA	62.3
13781592	Total_Formal_Charge	0
21426352	Undefined_Atom_Stereo_Count	1
442993	Exact_Mass	305.16270821
101684738	Total_Formal_Charge	0
21631	Undefined_Bond_Stereo_Count	0
22833454	TPSA	26
118209817	Covalent_Unit_Count	1
19738571	Non-hydrogen_Atom_Count	7
130659	Total_Formal_Charge	0
54556023	Hydrogen_Bond_Acceptor_Count	2
197712	Structure_Complexity	475
23662264	Defined_Atom_Stereo_Count	0
950480	Undefined_Atom_Stereo_Count	0
25056	Hydrogen_Bond_Donor_Count	0
10784	Defined_Atom_Stereo_Count	0
13118	Tautomer_Count	3
81540	Total_Formal_Charge	0
9601227	XLogP3	1.7
86609	Tautomer_Count	1
703047	Undefined_Atom_Stereo_Count	0
67258371	Structure_Complexity	85.8
6736	Undefined_Bond_Stereo_Count	0
91810695	Exact_Mass	976.3034938
9234	Defined_Bond_Stereo_Count	0
19778718	Non-hydrogen_Atom_Count	8
6875	Mono_Isotopic_Weight	248.152477885
411312	Molecular_Weight	299.4
39784	Isotope_Atom_Count	0
70034662	Defined_Atom_Stereo_Count	0
18185988	Mono_Isotopic_Weight	84.057514874
126981343	Exact_Mass	114.104465066
129027658	XLogP3-AA	1.4
85792	Non-hydrogen_Atom_Count	14
71743826	Rotatable_Bond_Count	1
533840	Structure_Complexity	39.2
39234960	Hydrogen_Bond_Acceptor_Count	2
443958	Molecular_Weight	502.6
131535	Defined_Atom_Stereo_Count	3
9837124	Isotope_Atom_Count	0
4707	Hydrogen_Bond_Acceptor_Count	5
721947	Exact_Mass	332.9838118
21692	Defined_Atom_Stereo_Count	2
59440	Defined_Atom_Stereo_Count	0
78295	Exact_Mass	206.0134572
129544	Covalent_Unit_Count	1
1487118	Mono_Isotopic_Weight	348.05800624
12560725	Defined_Bond_Stereo_Count	0
159296	Isotope_Atom_Count	0
11077077	Undefined_Bond_Stereo_Count	0
10930422	Undefined_Atom_Stereo_Count	0
11473	Undefined_Atom_Stereo_Count	0
9971980	Defined_Atom_Stereo_Count	0
44229138	Defined_Bond_Stereo_Count	0
72207931	Defined_Bond_Stereo_Count	0
11768539	Non-hydrogen_Atom_Count	8
519907	Covalent_Unit_Count	1
136832	Non-hydrogen_Atom_Count	8
93205	Rotatable_Bond_Count	6
6818	Hydrogen_Bond_Acceptor_Count	4
2770166	Exact_Mass	131.05171847
23349319	Rotatable_Bond_Count	3
44291156	Defined_Atom_Stereo_Count	15
519971	Molecular_Weight	109.13
1517	XLogP3-AA	7.5
61562434	Isotope_Atom_Count	0
117616350	Isotope_Atom_Count	0
140682152	Rotatable_Bond_Count	6
57410	TPSA	61.8
54335228	Defined_Atom_Stereo_Count	0
104926	Hydrogen_Bond_Acceptor_Count	5
57114132	Isotope_Atom_Count	0
13046623	Undefined_Atom_Stereo_Count	0
85299214	Defined_Bond_Stereo_Count	0
714	Exact_Mass	795.11012487
12210218	Hydrogen_Bond_Acceptor_Count	2
714937	Undefined_Bond_Stereo_Count	0
54311720	Rotatable_Bond_Count	1
6604796	Rotatable_Bond_Count	2
10460	Undefined_Atom_Stereo_Count	0
522636	Non-hydrogen_Atom_Count	25
641660	Rotatable_Bond_Count	0
9887304	Rotatable_Bond_Count	3
71888	TPSA	94.8
15100753	Hydrogen_Bond_Donor_Count	0
214804	Undefined_Atom_Stereo_Count	2
54006622	Defined_Atom_Stereo_Count	0
59968312	Rotatable_Bond_Count	0
595230	Hydrogen_Bond_Acceptor_Count	2
118733511	Rotatable_Bond_Count	4
2843	Non-hydrogen_Atom_Count	45
14445624	Undefined_Bond_Stereo_Count	0
72495	XLogP3-AA	4.3
439501	Molecular_Weight	584.7
11934	TPSA	0
24729360	Defined_Atom_Stereo_Count	4
1155	TPSA	58.9
643732	Rotatable_Bond_Count	3
23667629	Total_Formal_Charge	0
87359450	Covalent_Unit_Count	1
7683	Undefined_Atom_Stereo_Count	0
22084396	Undefined_Bond_Stereo_Count	0
54025583	Defined_Bond_Stereo_Count	0
25201976	Structure_Complexity	217
6918003	TPSA	50.2
101561	Hydrogen_Bond_Donor_Count	3
25021359	TPSA	219
642156	Rotatable_Bond_Count	0
119346	Hydrogen_Bond_Acceptor_Count	1
6438394	Isotope_Atom_Count	0
74735	Defined_Bond_Stereo_Count	0
52942503	Mono_Isotopic_Weight	385.0418534
115374	Hydrogen_Bond_Donor_Count	1
118540789	Hydrogen_Bond_Donor_Count	1
641005	Exact_Mass	116.120115130
21093905	Isotope_Atom_Count	0
66598080	Isotope_Atom_Count	0
796857	Undefined_Bond_Stereo_Count	0
23695542	Structure_Complexity	302
131728182	Defined_Atom_Stereo_Count	0
36014	Exact_Mass	285.10921
94740	XLogP3-AA	2.2
56991328	Exact_Mass	114.068079557
6331075	Structure_Complexity	508
23505018	Structure_Complexity	61.5
413019	Structure_Complexity	385
44442065	Defined_Bond_Stereo_Count	0
5280360	Defined_Bond_Stereo_Count	2
6918606	Hydrogen_Bond_Acceptor_Count	13
119058	Defined_Bond_Stereo_Count	0
54063593	Total_Formal_Charge	0
74615	Molecular_Weight	100.12
12724398	Molecular_Weight	112.17
10567	Defined_Atom_Stereo_Count	0
135455401	Molecular_Weight	156.95
99378	TPSA	29.5
123767	Undefined_Bond_Stereo_Count	0
6694	Molecular_Weight	479.0
525424	Covalent_Unit_Count	1
9973981	Exact_Mass	331.1339066
71602803	Exact_Mass	337.14264148
3340	Exact_Mass	306.0896961
57514685	Undefined_Bond_Stereo_Count	0
77533	Undefined_Bond_Stereo_Count	0
44458746	Isotope_Atom_Count	0
10898675	Exact_Mass	112.052429494
1177	Non-hydrogen_Atom_Count	17
6433586	Hydrogen_Bond_Donor_Count	6
147614	Hydrogen_Bond_Acceptor_Count	3
136920818	Defined_Bond_Stereo_Count	0
12873460	Total_Formal_Charge	0
153791162	Hydrogen_Bond_Acceptor_Count	3
73111	Rotatable_Bond_Count	9
17860	Hydrogen_Bond_Donor_Count	0
130545	Hydrogen_Bond_Acceptor_Count	4
3972	TPSA	54.7
121492767	Total_Formal_Charge	0
15559311	Exact_Mass	842.51400504
9571109	Mono_Isotopic_Weight	395.068258
58002108	Undefined_Bond_Stereo_Count	0
29761	Molecular_Weight	329.4
23063800	Molecular_Weight	111.15
10964	Total_Formal_Charge	0
26747	TPSA	40.5
5284341	TPSA	26
1153439	Structure_Complexity	703
4635	Structure_Complexity	553
206693	Defined_Atom_Stereo_Count	0
123516214	Total_Formal_Charge	0
9874175	TPSA	123
456255	Undefined_Bond_Stereo_Count	0
119583	Exact_Mass	613.1838501
81837	Mono_Isotopic_Weight	153.078978594
1257	Rotatable_Bond_Count	2
55289472	Non-hydrogen_Atom_Count	7
516893	Exact_Mass	99.95627537
3450	Mono_Isotopic_Weight	510.46346778
84866	Mono_Isotopic_Weight	191.058243149
90708518	TPSA	72.8
45255840	Hydrogen_Bond_Acceptor_Count	4
135409836	Defined_Atom_Stereo_Count	2
67499	Undefined_Bond_Stereo_Count	0
119101	Tautomer_Count	3
28431	Exact_Mass	114.068079557
58390642	Non-hydrogen_Atom_Count	8
16120191	Non-hydrogen_Atom_Count	13
6842999	XLogP3-AA	1.3
129627386	Molecular_Weight	447.4
132941102	Defined_Atom_Stereo_Count	15
70374	Non-hydrogen_Atom_Count	16
316473	Hydrogen_Bond_Donor_Count	1
85792900	Undefined_Bond_Stereo_Count	0
17902163	TPSA	58.7
14459508	Hydrogen_Bond_Donor_Count	1
25010775	Hydrogen_Bond_Donor_Count	3
5702198	Tautomer_Count	1
89422816	Structure_Complexity	67.4
3015009	Tautomer_Count	1
3686723	XLogP3-AA	3.9
535111	Total_Formal_Charge	0
2106900	Total_Formal_Charge	0
137735	Molecular_Weight	96.13
10305301	Molecular_Weight	677.7
480953	Isotope_Atom_Count	0
89033918	Defined_Bond_Stereo_Count	0
5745206	Structure_Complexity	824
74180	Non-hydrogen_Atom_Count	20
2604	Covalent_Unit_Count	1
5289159	Undefined_Bond_Stereo_Count	0
57064571	Undefined_Bond_Stereo_Count	1
54132691	Mono_Isotopic_Weight	108.093900383
74266	Hydrogen_Bond_Acceptor_Count	6
16135	Tautomer_Count	1
135538	TPSA	58.3
4680	Isotope_Atom_Count	0
45266540	Hydrogen_Bond_Acceptor_Count	23
135491728	Molecular_Weight	359.9
14770	Hydrogen_Bond_Acceptor_Count	0
2104	Structure_Complexity	1410
54693001	Rotatable_Bond_Count	7
54376298	Total_Formal_Charge	0
108147	Tautomer_Count	96
84647615	Defined_Bond_Stereo_Count	0
4119106	Defined_Atom_Stereo_Count	0
6378	Hydrogen_Bond_Acceptor_Count	1
79446	Non-hydrogen_Atom_Count	7
540327	Exact_Mass	284.16237386
18980923	Molecular_Weight	99.13
94960	Hydrogen_Bond_Acceptor_Count	3
53628842	Covalent_Unit_Count	3
64929	XLogP3	3.9
51947	Molecular_Weight	377.27
25271781	Defined_Atom_Stereo_Count	0
459494	Covalent_Unit_Count	1
69334516	Covalent_Unit_Count	1
11325699	Exact_Mass	354.0328724
18355900	Defined_Atom_Stereo_Count	0
60150204	Covalent_Unit_Count	1
12086	Defined_Bond_Stereo_Count	0
6610	Tautomer_Count	4
191101	Undefined_Bond_Stereo_Count	0
9936727	Non-hydrogen_Atom_Count	37
67811115	Hydrogen_Bond_Acceptor_Count	2
107887	Defined_Bond_Stereo_Count	0
54594622	Defined_Bond_Stereo_Count	0
72187	Tautomer_Count	3
25142309	XLogP3-AA	2.5
88365	Undefined_Atom_Stereo_Count	0
43231	Structure_Complexity	604
795	Structure_Complexity	28.1
6432437	XLogP3-AA	1.2
13791578	Structure_Complexity	84.2
2248	Undefined_Atom_Stereo_Count	10
13931173	Hydrogen_Bond_Acceptor_Count	2
681950	Molecular_Weight	257.33
55973	XLogP3	3.4
47685	Tautomer_Count	1
3945	Defined_Atom_Stereo_Count	0
158980	Isotope_Atom_Count	0
845588	Defined_Bond_Stereo_Count	0
160753	Rotatable_Bond_Count	0
4494	Total_Formal_Charge	0
219100	Defined_Bond_Stereo_Count	0
5353760	Hydrogen_Bond_Donor_Count	1
13563	TPSA	3.2
119093923	Defined_Bond_Stereo_Count	0
9295	Total_Formal_Charge	0
12317881	Undefined_Atom_Stereo_Count	0
62010	Total_Formal_Charge	0
15559317	Mono_Isotopic_Weight	842.51400504
10252	Structure_Complexity	215
129669019	Undefined_Bond_Stereo_Count	0
571	Defined_Atom_Stereo_Count	0
137699054	Structure_Complexity	107
22934413	Covalent_Unit_Count	1
21343689	Hydrogen_Bond_Acceptor_Count	0
186044	Exact_Mass	101.047678466
163578456	Defined_Atom_Stereo_Count	0
667448	Molecular_Weight	324.4
88342387	Rotatable_Bond_Count	1
4041	Defined_Atom_Stereo_Count	0
18941761	Total_Formal_Charge	0
13487	Undefined_Atom_Stereo_Count	0
379	Covalent_Unit_Count	1
6328	Tautomer_Count	1
56840960	Undefined_Atom_Stereo_Count	1
71731823	Defined_Bond_Stereo_Count	0
527	XLogP3	0.6
10219763	Covalent_Unit_Count	1
6971016	Undefined_Bond_Stereo_Count	0
163429552	Defined_Bond_Stereo_Count	0
61818	Hydrogen_Bond_Donor_Count	0
534838	Undefined_Bond_Stereo_Count	1
54003766	Defined_Bond_Stereo_Count	0
57370084	Covalent_Unit_Count	1
23899	Hydrogen_Bond_Donor_Count	0
5937	TPSA	104
7017101	Undefined_Atom_Stereo_Count	0
55910	Non-hydrogen_Atom_Count	18
16775060	Non-hydrogen_Atom_Count	7
76714	Covalent_Unit_Count	1
23691029	Tautomer_Count	4
34624	Mono_Isotopic_Weight	295.157228913
5802	Exact_Mass	189.93779
12278591	Covalent_Unit_Count	1
10111431	Defined_Bond_Stereo_Count	0
44454958	Defined_Atom_Stereo_Count	1
9848818	Tautomer_Count	2
88423	XLogP3	3.2
639662	Tautomer_Count	1
14782	TPSA	17.1
20561716	Hydrogen_Bond_Acceptor_Count	3
22081030	Mono_Isotopic_Weight	111.032028402
73920	Structure_Complexity	754
11115032	Exact_Mass	666.22185834
5284530	Hydrogen_Bond_Donor_Count	3
46936772	Total_Formal_Charge	0
70250504	Molecular_Weight	544.6
14906717	Mono_Isotopic_Weight	116.083729621
2795222	XLogP3	0.3
9853710	Tautomer_Count	24
529389	Non-hydrogen_Atom_Count	8
630	Covalent_Unit_Count	1
147126464	Covalent_Unit_Count	1
45933578	Covalent_Unit_Count	1
3542	Isotope_Atom_Count	0
95070	TPSA	66.4
4525487	Mono_Isotopic_Weight	146.04533274
95866	Isotope_Atom_Count	0
8418	Mono_Isotopic_Weight	178.078250319
155742	Defined_Atom_Stereo_Count	0
15604	Molecular_Weight	180.24
146364	Undefined_Atom_Stereo_Count	1
11123355	Structure_Complexity	101
290223	Defined_Atom_Stereo_Count	0
70701092	Hydrogen_Bond_Acceptor_Count	3
31781	Exact_Mass	424.15557440
60196334	Undefined_Atom_Stereo_Count	0
439791	Undefined_Atom_Stereo_Count	0
1310	Defined_Bond_Stereo_Count	0
18393	Rotatable_Bond_Count	3
54178371	Non-hydrogen_Atom_Count	7
643	Hydrogen_Bond_Acceptor_Count	3
44630107	Tautomer_Count	1
13081	Isotope_Atom_Count	0
94462	Molecular_Weight	257.83
42512	Molecular_Weight	321.5
2922	Covalent_Unit_Count	1
125520	Molecular_Weight	168.19
11477651	Undefined_Atom_Stereo_Count	0
53237541	TPSA	68
446845	Hydrogen_Bond_Donor_Count	1
12315192	TPSA	120
22015260	Defined_Atom_Stereo_Count	0
16065257	Exact_Mass	428.15584919
5283078	Exact_Mass	354.24062418
25195253	Mono_Isotopic_Weight	342.0746753
52922056	Total_Formal_Charge	0
89274700	TPSA	49.8
121494085	Hydrogen_Bond_Acceptor_Count	55
72199539	Isotope_Atom_Count	0
135392883	Covalent_Unit_Count	1
214347	Structure_Complexity	452
44962	Hydrogen_Bond_Acceptor_Count	3
51930	Tautomer_Count	1
9846588	Mono_Isotopic_Weight	450.23660143
40473166	Covalent_Unit_Count	1
163943218	Structure_Complexity	92.5
59814883	Hydrogen_Bond_Acceptor_Count	1
31629	Undefined_Bond_Stereo_Count	0
447378	Rotatable_Bond_Count	6
108037	Rotatable_Bond_Count	5
136603687	Isotope_Atom_Count	0
17920260	Hydrogen_Bond_Donor_Count	0
8823	Defined_Atom_Stereo_Count	0
13450501	Rotatable_Bond_Count	1
57507663	Rotatable_Bond_Count	0
90078	Undefined_Bond_Stereo_Count	0
4075	Rotatable_Bond_Count	1
44521018	Structure_Complexity	427
139906417	Structure_Complexity	65.1
441414	Mono_Isotopic_Weight	317.11106656
165857173	Undefined_Atom_Stereo_Count	1
22172	Non-hydrogen_Atom_Count	6
25335	Mono_Isotopic_Weight	199.157228913
87877	Hydrogen_Bond_Acceptor_Count	1
6484678	Undefined_Bond_Stereo_Count	0
23000221	Defined_Atom_Stereo_Count	0
23721821	Hydrogen_Bond_Donor_Count	4
6918686	TPSA	119
71430	Tautomer_Count	1
115763542	Rotatable_Bond_Count	1
13848133	Hydrogen_Bond_Acceptor_Count	1
134688091	Exact_Mass	446.26683893
1089	Total_Formal_Charge	0
18323	TPSA	119
71300392	Hydrogen_Bond_Donor_Count	0
15983552	Structure_Complexity	650
16213698	Total_Formal_Charge	0
45055483	TPSA	364
652019	Undefined_Atom_Stereo_Count	1
14927	Undefined_Bond_Stereo_Count	0
6096207	Covalent_Unit_Count	1
5460610	Defined_Bond_Stereo_Count	0
10890	Structure_Complexity	99.7
94011387	Undefined_Bond_Stereo_Count	0
56627	Undefined_Atom_Stereo_Count	1
5507	Total_Formal_Charge	0
88959085	Mono_Isotopic_Weight	114.031694049
16679	Hydrogen_Bond_Donor_Count	0
1414	Undefined_Bond_Stereo_Count	3
13838145	Defined_Atom_Stereo_Count	0
8901	Defined_Atom_Stereo_Count	0
5319880	Hydrogen_Bond_Donor_Count	3
33938	Exact_Mass	212.120115130
85906	Undefined_Bond_Stereo_Count	0
81432	Undefined_Atom_Stereo_Count	0
9227	Rotatable_Bond_Count	0
67497	Exact_Mass	184.03467143
117822	Structure_Complexity	356
656668	Structure_Complexity	933
67108207	Molecular_Weight	316.82
444913	Undefined_Atom_Stereo_Count	0
6420040	Structure_Complexity	308
131167766	Undefined_Atom_Stereo_Count	3
6319	Exact_Mass	260.131348519
138394156	Hydrogen_Bond_Acceptor_Count	8
23679004	Total_Formal_Charge	0
10613	Mono_Isotopic_Weight	200.00693585
4198	Hydrogen_Bond_Acceptor_Count	4
644073	Hydrogen_Bond_Acceptor_Count	5
139062526	Structure_Complexity	376
121192	Rotatable_Bond_Count	0
69532978	Molecular_Weight	115.13
114682	Rotatable_Bond_Count	2
746471	XLogP3-AA	1.2
56935	Total_Formal_Charge	2
85805628	Structure_Complexity	122
50225	Undefined_Bond_Stereo_Count	0
10753	Exact_Mass	253.01572689
139089144	Total_Formal_Charge	0
66013	Mono_Isotopic_Weight	107.073499291
6538983	XLogP3-AA	4.9
27822	Mono_Isotopic_Weight	158.141913202
123744867	Rotatable_Bond_Count	3
43157	Tautomer_Count	9
12559164	TPSA	0
5573	Undefined_Bond_Stereo_Count	0
547935	Covalent_Unit_Count	1
691409	Exact_Mass	319.06267708
19709	Defined_Bond_Stereo_Count	0
3034024	Defined_Atom_Stereo_Count	0
6418362	XLogP3-AA	2.7
30720	Undefined_Atom_Stereo_Count	0
50100	Undefined_Bond_Stereo_Count	0
66569	Molecular_Weight	160.17
135801111	Structure_Complexity	834
25167947	Total_Formal_Charge	0
3036235	TPSA	141
129631814	Defined_Atom_Stereo_Count	6
87390140	Hydrogen_Bond_Donor_Count	1
129788170	Undefined_Bond_Stereo_Count	0
16049377	TPSA	128
521459	Non-hydrogen_Atom_Count	4
1163242	Non-hydrogen_Atom_Count	26
3819932	TPSA	51
13059495	Defined_Atom_Stereo_Count	6
66	TPSA	20.2
134879127	Non-hydrogen_Atom_Count	23
20226581	Non-hydrogen_Atom_Count	8
20644245	Structure_Complexity	77.4
62510	XLogP3-AA	1.8
12444299	Non-hydrogen_Atom_Count	35
11539725	Total_Formal_Charge	0
151446	Defined_Atom_Stereo_Count	4
80520	Defined_Atom_Stereo_Count	0
23444	Hydrogen_Bond_Donor_Count	2
66986	Undefined_Atom_Stereo_Count	0
9286	Non-hydrogen_Atom_Count	15
2759255	XLogP3-AA	0.1
5611	Undefined_Atom_Stereo_Count	1
11953947	Rotatable_Bond_Count	22
6918663	Exact_Mass	401.0634615
68321815	Rotatable_Bond_Count	3
8549	Defined_Atom_Stereo_Count	3
92821	Hydrogen_Bond_Acceptor_Count	3
6915	Hydrogen_Bond_Acceptor_Count	2
5288606	Hydrogen_Bond_Acceptor_Count	1
65940	Hydrogen_Bond_Acceptor_Count	7
85531465	Mono_Isotopic_Weight	86.036779430
5319422	Undefined_Bond_Stereo_Count	0
24987	Hydrogen_Bond_Donor_Count	0
19836588	TPSA	9.2
409	XLogP3-AA	0.7
6002001	Non-hydrogen_Atom_Count	31
135398599	Isotope_Atom_Count	0
13513692	Hydrogen_Bond_Acceptor_Count	1
7042	Rotatable_Bond_Count	0
162265	Mono_Isotopic_Weight	151.099714038
9938326	Defined_Atom_Stereo_Count	1
2762864	Undefined_Bond_Stereo_Count	0
9957217	Structure_Complexity	629
44226825	Structure_Complexity	418
5281168	Covalent_Unit_Count	1
213049	Structure_Complexity	745
65708	Hydrogen_Bond_Donor_Count	2
155893809	Covalent_Unit_Count	1
9816981	Exact_Mass	274.09872823
71329	Exact_Mass	441.13921332
72627	Hydrogen_Bond_Donor_Count	2
61144	Defined_Bond_Stereo_Count	0
39094	Mono_Isotopic_Weight	303.125928785
548185	Non-hydrogen_Atom_Count	8
8711	Molecular_Weight	111.10
23675947	Structure_Complexity	437
22962	Tautomer_Count	2
439263	Non-hydrogen_Atom_Count	11
550942	Undefined_Bond_Stereo_Count	0
123801229	TPSA	29.1
1112	Exact_Mass	102.031694049
93521	Structure_Complexity	326
76783	Covalent_Unit_Count	1
92131209	Hydrogen_Bond_Donor_Count	6
70695756	Defined_Bond_Stereo_Count	0
24533	Structure_Complexity	2
18323	Rotatable_Bond_Count	2
65840	Isotope_Atom_Count	0
82752	Molecular_Weight	398.6
57399651	Hydrogen_Bond_Acceptor_Count	6
76631	Defined_Atom_Stereo_Count	0
2723816	Defined_Atom_Stereo_Count	0
13037934	Total_Formal_Charge	0
4090	Rotatable_Bond_Count	5
24892761	Rotatable_Bond_Count	7
118216	Hydrogen_Bond_Acceptor_Count	1
6570	Molecular_Weight	70.09
11009	Hydrogen_Bond_Acceptor_Count	2
66906036	Undefined_Bond_Stereo_Count	0
164877	XLogP3-AA	5
11042360	Non-hydrogen_Atom_Count	14
57503849	Undefined_Bond_Stereo_Count	0
142290	Total_Formal_Charge	0
389521	Isotope_Atom_Count	0
57341	XLogP3-AA	4.8
785	Hydrogen_Bond_Acceptor_Count	2
133645886	Molecular_Weight	823.9
67683363	Hydrogen_Bond_Acceptor_Count	10
12202794	Hydrogen_Bond_Donor_Count	1
118210311	Undefined_Bond_Stereo_Count	0
66296	Defined_Bond_Stereo_Count	0
7022	Molecular_Weight	239.25
247771	Undefined_Atom_Stereo_Count	1
225710	Undefined_Bond_Stereo_Count	0
76337	Defined_Bond_Stereo_Count	0
62416539	Undefined_Bond_Stereo_Count	0
57656869	Rotatable_Bond_Count	4
64832	Molecular_Weight	190.28
22475	Defined_Bond_Stereo_Count	0
124514	Isotope_Atom_Count	0
69342090	Exact_Mass	108.032362755
22530	Undefined_Atom_Stereo_Count	0
11243457	Defined_Bond_Stereo_Count	0
3037070	Undefined_Atom_Stereo_Count	0
4265	Structure_Complexity	904
10510810	Structure_Complexity	66.3
24867472	Defined_Atom_Stereo_Count	4
9793705	Non-hydrogen_Atom_Count	7
10685477	Defined_Bond_Stereo_Count	0
9715	Defined_Bond_Stereo_Count	0
9970749	Total_Formal_Charge	0
57401295	XLogP3-AA	3
517106	Undefined_Atom_Stereo_Count	0
456161	Undefined_Bond_Stereo_Count	0
5150303	Covalent_Unit_Count	2
442866	Molecular_Weight	261.27
229	Mono_Isotopic_Weight	150.05282342
12370	Exact_Mass	110.109550447
44609163	XLogP3-AA	2.6
6917860	Hydrogen_Bond_Acceptor_Count	9
421610	Rotatable_Bond_Count	7
825353	Rotatable_Bond_Count	4
117933223	Hydrogen_Bond_Donor_Count	0
53846425	Hydrogen_Bond_Acceptor_Count	3
452498	Exact_Mass	282.09641956
72466	Mono_Isotopic_Weight	1511.4785360
25007799	Covalent_Unit_Count	1
9828626	XLogP3	13.5
60452	Undefined_Atom_Stereo_Count	0
5736	Molecular_Weight	331.9
9854489	Undefined_Bond_Stereo_Count	0
9892481	Undefined_Atom_Stereo_Count	0
439518	Hydrogen_Bond_Acceptor_Count	9
33474	XLogP3-AA	1.8
57871279	Covalent_Unit_Count	1
5311309	Total_Formal_Charge	0
156618026	Structure_Complexity	382
611887	Undefined_Bond_Stereo_Count	0
444036	Non-hydrogen_Atom_Count	34
2747993	Total_Formal_Charge	0
4059	Covalent_Unit_Count	1
1225	Isotope_Atom_Count	0
439196	Mono_Isotopic_Weight	154.01222190
53435160	XLogP3-AA	0.2
20392	Defined_Atom_Stereo_Count	0
88212048	Covalent_Unit_Count	1
91250151	XLogP3-AA	2.5
92434	Total_Formal_Charge	0
10103118	Tautomer_Count	1
449293	XLogP3-AA	0.8
12089	Covalent_Unit_Count	1
1012812	Structure_Complexity	467
86742405	Total_Formal_Charge	0
21611	Defined_Atom_Stereo_Count	0
29254	Hydrogen_Bond_Acceptor_Count	2
122903	Molecular_Weight	168.15
6919055	Total_Formal_Charge	1
18992283	Total_Formal_Charge	0
146683214	Total_Formal_Charge	0
23087774	Undefined_Bond_Stereo_Count	0
135522261	Defined_Bond_Stereo_Count	0
317678	Defined_Bond_Stereo_Count	0
89351	Non-hydrogen_Atom_Count	16
21498	Structure_Complexity	116
9862634	Rotatable_Bond_Count	0
2457	Undefined_Atom_Stereo_Count	0
448400	Undefined_Atom_Stereo_Count	0
747	Structure_Complexity	574
154517172	Molecular_Weight	97.16
15951489	Molecular_Weight	372.4
5289382	Defined_Atom_Stereo_Count	8
636397	Rotatable_Bond_Count	7
11977753	Mono_Isotopic_Weight	469.19026037
70687387	TPSA	91.9
21694910	Defined_Bond_Stereo_Count	0
73166591	Structure_Complexity	64.6
11936	Molecular_Weight	192.25
5281878	Non-hydrogen_Atom_Count	30
86836	Undefined_Bond_Stereo_Count	1
25185	Molecular_Weight	168.28
347477	XLogP3-AA	0.9
85694	Covalent_Unit_Count	1
4098	Rotatable_Bond_Count	6
3578945	Defined_Atom_Stereo_Count	0
21713286	Non-hydrogen_Atom_Count	7
9940312	TPSA	12
74735	Undefined_Atom_Stereo_Count	0
71366347	Mono_Isotopic_Weight	86.036779430
124524088	Covalent_Unit_Count	1
573553	Hydrogen_Bond_Donor_Count	2
11774	Molecular_Weight	440.3
15658	Rotatable_Bond_Count	0
785244	Hydrogen_Bond_Acceptor_Count	4
17769	Hydrogen_Bond_Donor_Count	0
14532580	Covalent_Unit_Count	1
19738210	XLogP3-AA	1
112039	Tautomer_Count	5
15480	Total_Formal_Charge	0
643203	Undefined_Bond_Stereo_Count	0
56962215	TPSA	29.5
24823	Hydrogen_Bond_Donor_Count	0
607	Rotatable_Bond_Count	5
89398913	Non-hydrogen_Atom_Count	10
14843146	Total_Formal_Charge	0
67548	Isotope_Atom_Count	0
54686183	Mono_Isotopic_Weight	1024.3123164
1437838	Undefined_Atom_Stereo_Count	0
63853	Hydrogen_Bond_Donor_Count	0
630689	Isotope_Atom_Count	0
11164	Rotatable_Bond_Count	1
9548816	TPSA	102
232656	Non-hydrogen_Atom_Count	8
69085357	Isotope_Atom_Count	0
677	Tautomer_Count	1
854150	Undefined_Atom_Stereo_Count	0
5778	Molecular_Weight	166.21
145454105	Defined_Atom_Stereo_Count	3
10614	Hydrogen_Bond_Donor_Count	0
134715513	Covalent_Unit_Count	2
2734179	Tautomer_Count	1
7042	Structure_Complexity	178
97697	TPSA	29
5369162	Total_Formal_Charge	0
36231	TPSA	0
95864	Defined_Atom_Stereo_Count	0
136362	Hydrogen_Bond_Donor_Count	2
1999	Defined_Bond_Stereo_Count	0
163050683	Total_Formal_Charge	0
75090	Undefined_Atom_Stereo_Count	0
75357	Hydrogen_Bond_Acceptor_Count	4
4735	Exact_Mass	340.18992602
18542107	Defined_Atom_Stereo_Count	0
17572266	Undefined_Bond_Stereo_Count	0
69448	Rotatable_Bond_Count	2
89125265	Total_Formal_Charge	0
24762	XLogP3-AA	7.8
17899	Exact_Mass	226.266051085
171558	Hydrogen_Bond_Acceptor_Count	12
260809	Non-hydrogen_Atom_Count	9
52931497	Hydrogen_Bond_Acceptor_Count	8
64061	Covalent_Unit_Count	3
54537	Undefined_Bond_Stereo_Count	0
123212370	Defined_Bond_Stereo_Count	0
21910271	Hydrogen_Bond_Acceptor_Count	6
56659408	Rotatable_Bond_Count	13
3081143	Hydrogen_Bond_Donor_Count	2
37467	Hydrogen_Bond_Acceptor_Count	2
13042808	Non-hydrogen_Atom_Count	7
119036	Structure_Complexity	99.3
3063289	Undefined_Bond_Stereo_Count	0
445858	Hydrogen_Bond_Acceptor_Count	4
15627	Defined_Atom_Stereo_Count	0
77084	Molecular_Weight	188.34
2649	Undefined_Bond_Stereo_Count	0
48207	Defined_Atom_Stereo_Count	0
105056	Exact_Mass	277.14780704
11543095	Hydrogen_Bond_Donor_Count	0
21698963	Covalent_Unit_Count	1
29701	Defined_Atom_Stereo_Count	0
24967621	Hydrogen_Bond_Acceptor_Count	4
5284456	Total_Formal_Charge	0
21666609	TPSA	20.3
656597	Mono_Isotopic_Weight	383.10961
87877	Isotope_Atom_Count	0
5365022	Exact_Mass	490.547752233
551778	Structure_Complexity	67.9
10445549	Isotope_Atom_Count	0
21591456	Molecular_Weight	222.37
137224392	Covalent_Unit_Count	8
62572	Hydrogen_Bond_Donor_Count	1
260913	Covalent_Unit_Count	1
10200589	Non-hydrogen_Atom_Count	29
53248849	Structure_Complexity	335
1242943	Undefined_Atom_Stereo_Count	0
20793292	Hydrogen_Bond_Acceptor_Count	1
3224	Isotope_Atom_Count	0
4943	Undefined_Bond_Stereo_Count	0
503327	Total_Formal_Charge	0
579675	Defined_Atom_Stereo_Count	0
15967	XLogP3-AA	5.2
193270	Defined_Atom_Stereo_Count	1
193168	Covalent_Unit_Count	1
88789571	Hydrogen_Bond_Acceptor_Count	1
90094652	Exact_Mass	115.063328530
142882	Hydrogen_Bond_Donor_Count	1
77317	Defined_Atom_Stereo_Count	0
70233	Isotope_Atom_Count	0
201538	Covalent_Unit_Count	2
10606708	Hydrogen_Bond_Donor_Count	2
430914	Isotope_Atom_Count	0
4479	Exact_Mass	748.17446246
519793	Undefined_Atom_Stereo_Count	0
20316	Rotatable_Bond_Count	3
5367460	Covalent_Unit_Count	1
8266	Molecular_Weight	388.8
57992039	Covalent_Unit_Count	1
1702	Undefined_Atom_Stereo_Count	0
68120	Defined_Atom_Stereo_Count	0
14796866	Defined_Atom_Stereo_Count	0
854389	Hydrogen_Bond_Donor_Count	1
14753032	Mono_Isotopic_Weight	546.19369124
22833341	Total_Formal_Charge	0
3239844	Covalent_Unit_Count	1
23287	Defined_Atom_Stereo_Count	0
2578	Rotatable_Bond_Count	4
91756	Undefined_Atom_Stereo_Count	0
23668194	Non-hydrogen_Atom_Count	30
135487863	Defined_Bond_Stereo_Count	1
34800	Hydrogen_Bond_Acceptor_Count	2
9961	Hydrogen_Bond_Donor_Count	0
352309	Exact_Mass	273.266779359
135565106	Total_Formal_Charge	0
79050	Total_Formal_Charge	0
3014084	Exact_Mass	99.032028402
126970648	Total_Formal_Charge	0
637760	Isotope_Atom_Count	0
135449328	Exact_Mass	446.12600561
57004451	Defined_Bond_Stereo_Count	0
11415	Total_Formal_Charge	0
73631	Mono_Isotopic_Weight	370.14163842
17326	Tautomer_Count	1
8786	Hydrogen_Bond_Acceptor_Count	2
28281	Tautomer_Count	5
134694738	Hydrogen_Bond_Acceptor_Count	12
601439	Defined_Atom_Stereo_Count	0
13627570	Total_Formal_Charge	0
3239235	Defined_Bond_Stereo_Count	0
56672300	TPSA	109
57396213	Undefined_Atom_Stereo_Count	0
30143	Undefined_Bond_Stereo_Count	0
84002	Exact_Mass	268.06953611
77072	XLogP3-AA	11.8
220001	Molecular_Weight	164.16
447407	Non-hydrogen_Atom_Count	16
52576	Covalent_Unit_Count	1
520667	Mono_Isotopic_Weight	100.052429494
49857672	Undefined_Bond_Stereo_Count	0
19822625	Defined_Atom_Stereo_Count	0
561193	Covalent_Unit_Count	1
67645	Hydrogen_Bond_Donor_Count	0
61055	Molecular_Weight	144.21
46936572	XLogP3-AA	2
114523	Total_Formal_Charge	0
83437	Covalent_Unit_Count	1
85518914	Exact_Mass	112.052429494
99681	Tautomer_Count	5
5251826	Total_Formal_Charge	0
9939609	TPSA	81.5
56886	Molecular_Weight	275.3
134812007	Isotope_Atom_Count	0
9895	Isotope_Atom_Count	0
90613	Non-hydrogen_Atom_Count	16
2912	Structure_Complexity	643
21517	Non-hydrogen_Atom_Count	33
53814234	Molecular_Weight	101.10
10325129	Defined_Bond_Stereo_Count	0
90473211	Non-hydrogen_Atom_Count	24
62881	Exact_Mass	656.34147767
32209	Non-hydrogen_Atom_Count	19
18506429	Covalent_Unit_Count	1
2737136	Undefined_Atom_Stereo_Count	0
13165124	Covalent_Unit_Count	1
66124	Defined_Atom_Stereo_Count	1
11751549	Undefined_Bond_Stereo_Count	0
9888340	Defined_Atom_Stereo_Count	2
65836	Defined_Bond_Stereo_Count	0
12807	Isotope_Atom_Count	0
20056430	Defined_Atom_Stereo_Count	0
101827037	Molecular_Weight	1389.9
10129921	Mono_Isotopic_Weight	111.068413911
13187	Undefined_Bond_Stereo_Count	0
142566105	Defined_Atom_Stereo_Count	0
71969	Covalent_Unit_Count	1
12243027	Exact_Mass	100.063662883
92155	Non-hydrogen_Atom_Count	30
84912	Hydrogen_Bond_Acceptor_Count	3
9935274	Defined_Bond_Stereo_Count	0
13068894	TPSA	17.1
22654	TPSA	58.5
124012131	TPSA	49.5
11612642	Mono_Isotopic_Weight	477.21761793
65376195	Defined_Bond_Stereo_Count	0
7491	Undefined_Atom_Stereo_Count	0
64143	Mono_Isotopic_Weight	567.31307810
147895	Exact_Mass	849.35717005
5625	Structure_Complexity	749
329061	Rotatable_Bond_Count	4
22986754	Molecular_Weight	112.17
12581088	Isotope_Atom_Count	0
12785	Hydrogen_Bond_Donor_Count	2
15765418	Undefined_Bond_Stereo_Count	0
77531	Non-hydrogen_Atom_Count	8
5213	Undefined_Bond_Stereo_Count	0
23283001	Structure_Complexity	124
85705001	Rotatable_Bond_Count	0
15973	Mono_Isotopic_Weight	357.11134135
558546	XLogP3-AA	0.6
11788287	Molecular_Weight	116.16
6279	Covalent_Unit_Count	1
21161643	Defined_Bond_Stereo_Count	0
21596552	Covalent_Unit_Count	1
167945	Exact_Mass	218.10284761
135408763	Defined_Bond_Stereo_Count	0
6400264	Rotatable_Bond_Count	1
58258	Structure_Complexity	608
4913	Hydrogen_Bond_Donor_Count	2
4669250	Rotatable_Bond_Count	0
90509	Defined_Atom_Stereo_Count	0
53475321	Structure_Complexity	645
136121	Non-hydrogen_Atom_Count	6
96191	Isotope_Atom_Count	0
3246242	TPSA	62.3
8987	Isotope_Atom_Count	0
70686373	Hydrogen_Bond_Acceptor_Count	6
101589314	Hydrogen_Bond_Acceptor_Count	4
250079	Hydrogen_Bond_Acceptor_Count	6
10986305	Mono_Isotopic_Weight	139.038176411
6365145	Tautomer_Count	6
20838642	Mono_Isotopic_Weight	391.0741989
6371710	XLogP3-AA	1.7
10102	Rotatable_Bond_Count	0
13528	Exact_Mass	104.0028925
71306478	Molecular_Weight	369.11
20890	Tautomer_Count	5
14911944	TPSA	29.5
22132384	Total_Formal_Charge	0
10997483	Undefined_Atom_Stereo_Count	0
5280497	Non-hydrogen_Atom_Count	25
15062870	Hydrogen_Bond_Acceptor_Count	2
3305	Tautomer_Count	1
135398631	Undefined_Bond_Stereo_Count	0
57157895	Exact_Mass	106.078250319
10949	Molecular_Weight	125.13
7111	TPSA	52
46233311	Hydrogen_Bond_Donor_Count	2
11597936	Defined_Bond_Stereo_Count	0
85554474	Hydrogen_Bond_Donor_Count	2
71459166	Hydrogen_Bond_Acceptor_Count	4
2734664	Molecular_Weight	140.25
24198	Total_Formal_Charge	0
11839	Tautomer_Count	1
16015	Rotatable_Bond_Count	2
12554265	Defined_Bond_Stereo_Count	0
5281088	Undefined_Atom_Stereo_Count	0
13760530	Non-hydrogen_Atom_Count	8
123805	Exact_Mass	898.46610084
5311104	Isotope_Atom_Count	0
155794	Structure_Complexity	387
73943	XLogP3-AA	0.9
1201386	Rotatable_Bond_Count	0
16541	Undefined_Atom_Stereo_Count	0
20325315	XLogP3-AA	0.8
447546	Non-hydrogen_Atom_Count	33
5815211	Covalent_Unit_Count	1
24987	Tautomer_Count	1
14295	XLogP3	2.4
4683	Undefined_Bond_Stereo_Count	0
10238982	Rotatable_Bond_Count	10
123347340	Covalent_Unit_Count	1
7289	Isotope_Atom_Count	0
552549	Covalent_Unit_Count	1
137699188	Molecular_Weight	1526.8
165708195	Molecular_Weight	110.15
54537	Tautomer_Count	2
338733	Covalent_Unit_Count	1
87527569	Hydrogen_Bond_Acceptor_Count	4
875	TPSA	115
86088606	Rotatable_Bond_Count	1
70401991	Covalent_Unit_Count	1
57392503	Undefined_Bond_Stereo_Count	0
75755	Structure_Complexity	78.7
137719	Defined_Bond_Stereo_Count	0
21614701	Undefined_Atom_Stereo_Count	0
2905	Mono_Isotopic_Weight	291.18344366
14140995	Rotatable_Bond_Count	0
51397515	Defined_Atom_Stereo_Count	2
28094582	Isotope_Atom_Count	0
4019563	Mono_Isotopic_Weight	419.97220756
1069189	Defined_Bond_Stereo_Count	0
19819	Hydrogen_Bond_Donor_Count	0
721947	Molecular_Weight	333.71
2795	Hydrogen_Bond_Acceptor_Count	2
8682	TPSA	93.8
463365	Exact_Mass	522.28824308
129652160	TPSA	132
12434155	Exact_Mass	112.052429494
12508	Undefined_Bond_Stereo_Count	0
52943334	XLogP3-AA	4.1
249786	Defined_Atom_Stereo_Count	0
10856744	Mono_Isotopic_Weight	210.04629874
25526	TPSA	175
13200	Exact_Mass	108.057514874
10430450	Structure_Complexity	566
12367843	Rotatable_Bond_Count	0
724228	XLogP3-AA	4.7
19962939	TPSA	24.4
253186	Undefined_Atom_Stereo_Count	0
21490213	Covalent_Unit_Count	1
20435	Hydrogen_Bond_Acceptor_Count	5
71821	Structure_Complexity	276
1217	Exact_Mass	167.058243149
439791	Hydrogen_Bond_Acceptor_Count	2
156513855	Non-hydrogen_Atom_Count	7
72392	Mono_Isotopic_Weight	322.18523456
41322	Defined_Bond_Stereo_Count	0
1234	Exact_Mass	484.29372238
280	Defined_Atom_Stereo_Count	0
95456	Undefined_Bond_Stereo_Count	0
62766	Covalent_Unit_Count	2
4	Non-hydrogen_Atom_Count	5
10695961	Defined_Atom_Stereo_Count	2
44526	Exact_Mass	195.162314293
10197842	Non-hydrogen_Atom_Count	10
101835694	Undefined_Bond_Stereo_Count	0
55285553	Covalent_Unit_Count	1
46783232	Exact_Mass	361.12738533
23121765	Hydrogen_Bond_Acceptor_Count	1
285666	Tautomer_Count	5
61680	Defined_Bond_Stereo_Count	0
9894291	Structure_Complexity	459
66016	Total_Formal_Charge	0
18600476	Defined_Bond_Stereo_Count	0
88359	Exact_Mass	112.063662883
23663964	Mono_Isotopic_Weight	397.08902930
2324	Hydrogen_Bond_Acceptor_Count	8
63079	Undefined_Atom_Stereo_Count	0
21945	Molecular_Weight	319.36
6785	Covalent_Unit_Count	1
130271321	Non-hydrogen_Atom_Count	8
62441	Mono_Isotopic_Weight	349.28282334
18620262	Defined_Bond_Stereo_Count	0
275510	Molecular_Weight	647.9
11446296	TPSA	40.5
53708	Hydrogen_Bond_Acceptor_Count	3
68870	Rotatable_Bond_Count	8
155713	Undefined_Bond_Stereo_Count	0
12200171	Covalent_Unit_Count	1
20623563	Mono_Isotopic_Weight	109.052763847
111026	Undefined_Atom_Stereo_Count	1
3037936	Undefined_Atom_Stereo_Count	0
77232	Defined_Atom_Stereo_Count	0
84731066	Mono_Isotopic_Weight	118.062994177
3067	Rotatable_Bond_Count	4
18363526	Rotatable_Bond_Count	0
72200758	Undefined_Atom_Stereo_Count	0
54184524	Hydrogen_Bond_Donor_Count	1
44017	Mono_Isotopic_Weight	333.081783
7060	Exact_Mass	143.073499291
15475283	Hydrogen_Bond_Acceptor_Count	1
64617	Covalent_Unit_Count	1
56711	Hydrogen_Bond_Donor_Count	0
24729360	XLogP3-AA	2.9
60196404	Covalent_Unit_Count	2
449	Defined_Bond_Stereo_Count	0
444030	Defined_Atom_Stereo_Count	1
135472946	Undefined_Bond_Stereo_Count	0
12964	Structure_Complexity	84.2
78358496	Hydrogen_Bond_Acceptor_Count	11
8948	Non-hydrogen_Atom_Count	5
7343	Structure_Complexity	105
525424	Mono_Isotopic_Weight	86.01902136
6173	Tautomer_Count	1
19438210	Non-hydrogen_Atom_Count	8
15809	Tautomer_Count	2
2188	Undefined_Bond_Stereo_Count	0
100937012	Undefined_Bond_Stereo_Count	0
931	Hydrogen_Bond_Donor_Count	0
9924495	Defined_Atom_Stereo_Count	0
631468	Non-hydrogen_Atom_Count	16
56841653	Hydrogen_Bond_Donor_Count	5
9187	Tautomer_Count	1
529399	Structure_Complexity	72.9
656587	TPSA	59.1
53621	Undefined_Atom_Stereo_Count	1
19757680	Hydrogen_Bond_Donor_Count	2
14763103	Covalent_Unit_Count	1
10046404	XLogP3-AA	5.2
136880	Covalent_Unit_Count	1
19380118	TPSA	13.1
21907926	Rotatable_Bond_Count	0
1548994	Hydrogen_Bond_Acceptor_Count	10
219990	Structure_Complexity	212
5311497	Defined_Bond_Stereo_Count	0
140979598	Defined_Bond_Stereo_Count	0
5280483	Tautomer_Count	27
22010122	Rotatable_Bond_Count	1
85865	Hydrogen_Bond_Donor_Count	1
5352449	Total_Formal_Charge	0
72199432	Mono_Isotopic_Weight	581.27976659
1957	Defined_Atom_Stereo_Count	0
124003	Total_Formal_Charge	0
23581869	Total_Formal_Charge	0
258618	Rotatable_Bond_Count	0
701741	Molecular_Weight	274.31
7154	Rotatable_Bond_Count	3
260917	Exact_Mass	110.073164938
66714960	Undefined_Atom_Stereo_Count	0
10510817	Isotope_Atom_Count	0
3357	Molecular_Weight	369.34
10285780	Isotope_Atom_Count	0
33728341	Covalent_Unit_Count	1
528405	Rotatable_Bond_Count	1
13130	Covalent_Unit_Count	1
23673837	Defined_Bond_Stereo_Count	0
56993535	Rotatable_Bond_Count	1
5491647	Exact_Mass	269.10519334
18636	Structure_Complexity	354
20190614	Non-hydrogen_Atom_Count	7
40466988	XLogP3-AA	1.8
264	Total_Formal_Charge	0
93032	Undefined_Bond_Stereo_Count	0
2336	Total_Formal_Charge	0
17769	Tautomer_Count	1
94169	Tautomer_Count	1
12302651	Isotope_Atom_Count	0
69602	Non-hydrogen_Atom_Count	11
71745	Hydrogen_Bond_Donor_Count	2
60196378	Defined_Atom_Stereo_Count	0
66683198	Molecular_Weight	341.8
295763	TPSA	51.8
638057	Rotatable_Bond_Count	0
1123	Undefined_Atom_Stereo_Count	0
5081356	Hydrogen_Bond_Acceptor_Count	12
17236	Covalent_Unit_Count	1
13073879	Exact_Mass	116.083729621
20015	Total_Formal_Charge	0
62232962	TPSA	26.3
6411	TPSA	83
21884	Isotope_Atom_Count	0
567600	Defined_Atom_Stereo_Count	0
145640699	Total_Formal_Charge	0
70678916	Undefined_Atom_Stereo_Count	0
91442807	XLogP3-AA	5.1
442	Defined_Bond_Stereo_Count	0
69508	Structure_Complexity	304
89953	TPSA	55.1
21841	TPSA	104
89416	Hydrogen_Bond_Acceptor_Count	1
72149	Undefined_Atom_Stereo_Count	0
40308	Tautomer_Count	1
4431056	Non-hydrogen_Atom_Count	8
23696523	Defined_Atom_Stereo_Count	0
62770	Molecular_Weight	564.0
4953	Rotatable_Bond_Count	12
54692246	Hydrogen_Bond_Acceptor_Count	5
667483	Hydrogen_Bond_Acceptor_Count	3
75269	Mono_Isotopic_Weight	88.016043985
2332	Hydrogen_Bond_Acceptor_Count	1
10286159	Hydrogen_Bond_Donor_Count	2
517827	TPSA	17.1
23831	Undefined_Bond_Stereo_Count	0
736351	Defined_Atom_Stereo_Count	0
3086677	Undefined_Bond_Stereo_Count	0
9871212	Rotatable_Bond_Count	12
23552426	TPSA	38.9
12230	Undefined_Atom_Stereo_Count	0
71024610	Exact_Mass	342.11621151
19731	Non-hydrogen_Atom_Count	45
13538284	Mono_Isotopic_Weight	98.059246208
21879940	Molecular_Weight	214.35
83433	Molecular_Weight	556.7
44201342	Rotatable_Bond_Count	187
2759255	Rotatable_Bond_Count	4
76223462	Isotope_Atom_Count	0
443873	Tautomer_Count	2
9973981	TPSA	21.7
115011049	TPSA	26.3
57784275	Molecular_Weight	96.09
123470675	Hydrogen_Bond_Donor_Count	0
378443	Defined_Atom_Stereo_Count	0
202050	XLogP3-AA	1.2
98685	Mono_Isotopic_Weight	240.126263138
160154	Rotatable_Bond_Count	2
9547261	Rotatable_Bond_Count	5
2725022	Structure_Complexity	339
5469318	Undefined_Atom_Stereo_Count	0
67374621	Isotope_Atom_Count	0
18156	Defined_Atom_Stereo_Count	0
70273609	Covalent_Unit_Count	1
542152	Rotatable_Bond_Count	2
6514	Tautomer_Count	1
6608	Non-hydrogen_Atom_Count	15
197942	Non-hydrogen_Atom_Count	13
2723733	Defined_Bond_Stereo_Count	0
13033	TPSA	0
8132	Hydrogen_Bond_Donor_Count	2
9653	TPSA	48.5
212	Molecular_Weight	358.28
12559	Hydrogen_Bond_Acceptor_Count	16
12242919	Structure_Complexity	0
131634907	Non-hydrogen_Atom_Count	131
85608268	Non-hydrogen_Atom_Count	8
445318	Hydrogen_Bond_Acceptor_Count	6
73303	Covalent_Unit_Count	1
156838775	Rotatable_Bond_Count	0
20387231	Defined_Atom_Stereo_Count	0
185654	Covalent_Unit_Count	1
136459	Rotatable_Bond_Count	0
216454	Tautomer_Count	2
29011	Non-hydrogen_Atom_Count	3
124723	Rotatable_Bond_Count	0
65374	Hydrogen_Bond_Donor_Count	3
722292	Total_Formal_Charge	0
25008765	Undefined_Atom_Stereo_Count	0
31954	Undefined_Bond_Stereo_Count	0
35763	Defined_Atom_Stereo_Count	0
442866	Hydrogen_Bond_Donor_Count	5
119086019	Total_Formal_Charge	0
25273215	Exact_Mass	470.2322780
73952292	Hydrogen_Bond_Donor_Count	7
71591488	Rotatable_Bond_Count	0
414773	Undefined_Atom_Stereo_Count	0
64505	XLogP3-AA	1.8
20141332	Hydrogen_Bond_Donor_Count	1
7556	Defined_Bond_Stereo_Count	0
3780	Non-hydrogen_Atom_Count	16
15660	Hydrogen_Bond_Acceptor_Count	2
190816	TPSA	83.6
87071867	Undefined_Atom_Stereo_Count	3
19900876	Covalent_Unit_Count	1
154266294	Rotatable_Bond_Count	1
19977	Undefined_Bond_Stereo_Count	0
16732313	Isotope_Atom_Count	0
81239	Isotope_Atom_Count	0
11714580	Undefined_Bond_Stereo_Count	0
62280	Rotatable_Bond_Count	15
25904	Covalent_Unit_Count	1
1518	Mono_Isotopic_Weight	242.154489261
70523	Total_Formal_Charge	0
702289	Isotope_Atom_Count	0
54023308	Hydrogen_Bond_Acceptor_Count	1
16115747	Molecular_Weight	420.5
14228	Defined_Atom_Stereo_Count	0
221387	Total_Formal_Charge	0
134820103	Rotatable_Bond_Count	11
42665	Non-hydrogen_Atom_Count	12
30137	Covalent_Unit_Count	1
16217852	Mono_Isotopic_Weight	125.047678466
70689387	Covalent_Unit_Count	1
22015243	Exact_Mass	114.068079557
75987092	Rotatable_Bond_Count	3
52943923	Defined_Bond_Stereo_Count	0
4656	Non-hydrogen_Atom_Count	15
163432987	Isotope_Atom_Count	0
253	TPSA	104
54732122	Exact_Mass	324.09977361
3059	Defined_Bond_Stereo_Count	0
26903	Covalent_Unit_Count	1
22395644	Defined_Atom_Stereo_Count	0
13285535	Mono_Isotopic_Weight	226.074227566
8077	Defined_Bond_Stereo_Count	0
101071970	Hydrogen_Bond_Acceptor_Count	0
78382	Non-hydrogen_Atom_Count	12
19935266	Non-hydrogen_Atom_Count	7
3047855	TPSA	295
54025111	Hydrogen_Bond_Acceptor_Count	2
134601	TPSA	119
59508	Exact_Mass	390.34843804
39521	Defined_Atom_Stereo_Count	0
11457680	Exact_Mass	115.063328530
1283	Isotope_Atom_Count	0
7003	Defined_Atom_Stereo_Count	0
5281249	Total_Formal_Charge	0
12576	Mono_Isotopic_Weight	166.03784206
59603622	Hydrogen_Bond_Acceptor_Count	8
118053313	Defined_Atom_Stereo_Count	0
102248370	Hydrogen_Bond_Acceptor_Count	4
564996	Defined_Atom_Stereo_Count	0
854023	Hydrogen_Bond_Acceptor_Count	2
18352756	Defined_Bond_Stereo_Count	0
107983	Molecular_Weight	144.12
138440	TPSA	37.3
6931238	Structure_Complexity	171
69091	TPSA	46.5
72758	TPSA	41.5
9457	Isotope_Atom_Count	0
21816393	XLogP3-AA	0.4
637885	TPSA	58.9
6917852	Molecular_Weight	663.6
23675312	Structure_Complexity	713
131535	Molecular_Weight	623.7
135596593	Defined_Atom_Stereo_Count	5
17819	Defined_Atom_Stereo_Count	0
65427	Undefined_Atom_Stereo_Count	1
85856	XLogP3-AA	9.6
90829381	Total_Formal_Charge	0
75252	Defined_Atom_Stereo_Count	0
10780	Structure_Complexity	211
454105	Molecular_Weight	493.6
4380	TPSA	12.5
135430795	Total_Formal_Charge	0
21843609	Non-hydrogen_Atom_Count	7
58305	Defined_Atom_Stereo_Count	0
57286318	Hydrogen_Bond_Donor_Count	0
58506875	Isotope_Atom_Count	0
11869	XLogP3	2.9
14294923	Hydrogen_Bond_Donor_Count	1
47510	Non-hydrogen_Atom_Count	16
315411	Undefined_Bond_Stereo_Count	0
575408	Undefined_Bond_Stereo_Count	0
122345	Undefined_Atom_Stereo_Count	1
31390	Defined_Atom_Stereo_Count	0
155804760	Defined_Atom_Stereo_Count	0
1664	Undefined_Atom_Stereo_Count	1
26136	XLogP3-AA	1.7
558526	Defined_Bond_Stereo_Count	0
132941102	Undefined_Bond_Stereo_Count	0
71584541	Hydrogen_Bond_Acceptor_Count	6
5224206	Molecular_Weight	91.13
57254473	Hydrogen_Bond_Donor_Count	0
13785328	Molecular_Weight	384.5
90078292	Isotope_Atom_Count	0
12035	Hydrogen_Bond_Donor_Count	3
98491	Non-hydrogen_Atom_Count	17
14706	Mono_Isotopic_Weight	401.13543
87063833	Defined_Atom_Stereo_Count	0
135398679	Defined_Bond_Stereo_Count	0
51043	Undefined_Atom_Stereo_Count	0
5898	Structure_Complexity	354
2724368	Molecular_Weight	175.12
5526	Covalent_Unit_Count	1
34332	Isotope_Atom_Count	0
21026729	Exact_Mass	88.100048391
11676981	XLogP3-AA	1.2
6476333	Mono_Isotopic_Weight	624.20542044
12405	Hydrogen_Bond_Acceptor_Count	0
160723	Molecular_Weight	246.31
14235	Hydrogen_Bond_Donor_Count	0
69656	Undefined_Bond_Stereo_Count	0
414	Total_Formal_Charge	0
22812306	Hydrogen_Bond_Acceptor_Count	1
222786	XLogP3	1.5
90687044	TPSA	30.7
23939	Rotatable_Bond_Count	0
1752	Rotatable_Bond_Count	8
9543026	Exact_Mass	821.12577494
6992028	Hydrogen_Bond_Donor_Count	1
18713388	Non-hydrogen_Atom_Count	8
146160179	Hydrogen_Bond_Acceptor_Count	10
15981292	Defined_Bond_Stereo_Count	0
71397	Hydrogen_Bond_Acceptor_Count	1
210	Undefined_Bond_Stereo_Count	0
843960	Isotope_Atom_Count	0
46206643	Rotatable_Bond_Count	3
7752	Covalent_Unit_Count	1
534543	TPSA	43.4
78255	Undefined_Atom_Stereo_Count	0
18600476	Molecular_Weight	362.42
15806	TPSA	49.3
5078	Covalent_Unit_Count	1
13925600	Defined_Bond_Stereo_Count	0
520902	Undefined_Atom_Stereo_Count	0
6431	Covalent_Unit_Count	1
2565	Molecular_Weight	477.6
517957	Undefined_Bond_Stereo_Count	0
11787	TPSA	20.2
44560772	Defined_Atom_Stereo_Count	0
3033856	Non-hydrogen_Atom_Count	22
78553	Exact_Mass	215.96083
57399909	XLogP3-AA	5.2
56622517	Covalent_Unit_Count	1
138199	Defined_Atom_Stereo_Count	0
6327546	Non-hydrogen_Atom_Count	16
5460495	Mono_Isotopic_Weight	115.063328530
60961	Tautomer_Count	3
16122612	Covalent_Unit_Count	1
10986	Structure_Complexity	25.5
36652	Covalent_Unit_Count	1
156232886	Covalent_Unit_Count	1
11236560	Structure_Complexity	675
61988	XLogP3-AA	1
44452442	XLogP3-AA	4.5
139031455	Mono_Isotopic_Weight	553.03823343
9870785	Molecular_Weight	505.0
6418719	Isotope_Atom_Count	0
51346588	Rotatable_Bond_Count	0
9015	Mono_Isotopic_Weight	124.052429494
12313849	TPSA	57.2
16070111	Exact_Mass	416.20597001
12754038	Structure_Complexity	111
15287	TPSA	29.5
56036	Tautomer_Count	10
10127622	TPSA	88.4
129709636	Covalent_Unit_Count	1
15885752	Rotatable_Bond_Count	2
79718	Non-hydrogen_Atom_Count	22
76796454	Isotope_Atom_Count	0
68079	Rotatable_Bond_Count	2
91697	Structure_Complexity	179
11332442	Hydrogen_Bond_Acceptor_Count	3
5315	Hydrogen_Bond_Donor_Count	3
123298786	Covalent_Unit_Count	1
89990880	Hydrogen_Bond_Acceptor_Count	12
20093437	Exact_Mass	108.032362755
444008	Undefined_Atom_Stereo_Count	0
6426849	Non-hydrogen_Atom_Count	22
136892	Covalent_Unit_Count	1
175191	Rotatable_Bond_Count	17
23260879	Total_Formal_Charge	0
88051007	Defined_Bond_Stereo_Count	0
104556	Non-hydrogen_Atom_Count	15
3037261	Hydrogen_Bond_Acceptor_Count	3
58863788	Defined_Bond_Stereo_Count	0
398570	Rotatable_Bond_Count	2
517985	Structure_Complexity	106
23527	Molecular_Weight	114.19
71457293	Covalent_Unit_Count	1
363272	Non-hydrogen_Atom_Count	23
71308696	Isotope_Atom_Count	0
102426204	Exact_Mass	416.32904526
11461044	Total_Formal_Charge	0
26440	Molecular_Weight	194.27
19846	Hydrogen_Bond_Acceptor_Count	2
9864348	Isotope_Atom_Count	0
57398260	Exact_Mass	526.16617453
534258	Exact_Mass	100.088815002
676157	Tautomer_Count	11
110862	XLogP3-AA	0.3
13032471	Isotope_Atom_Count	0
9948	Defined_Bond_Stereo_Count	0
86912	Molecular_Weight	392.89
23724843	Isotope_Atom_Count	0
72679314	TPSA	94.9
93971978	XLogP3-AA	2.2
12302654	Undefined_Bond_Stereo_Count	0
558092	Structure_Complexity	75.6
167980	Hydrogen_Bond_Donor_Count	2
102	Hydrogen_Bond_Acceptor_Count	2
121290475	Defined_Bond_Stereo_Count	0
12463	Total_Formal_Charge	0
564664	Non-hydrogen_Atom_Count	8
163548545	Exact_Mass	112.052429494
12936855	Exact_Mass	114.104465066
9964065	Tautomer_Count	2
68861	Non-hydrogen_Atom_Count	23
57568	Molecular_Weight	211.30
126437	XLogP3-AA	2.2
8633	Tautomer_Count	4
10997120	Total_Formal_Charge	0
24257	Hydrogen_Bond_Donor_Count	0
289539	Rotatable_Bond_Count	0
134826475	Structure_Complexity	809
23688461	Isotope_Atom_Count	0
6591	Covalent_Unit_Count	1
67828	Covalent_Unit_Count	1
135565082	TPSA	84.2
907170	Mono_Isotopic_Weight	289.16779360
16050932	XLogP3-AA	3.1
444041	Structure_Complexity	1480
67570	Hydrogen_Bond_Acceptor_Count	0
17842350	Defined_Atom_Stereo_Count	0
11033	Defined_Atom_Stereo_Count	0
68052608	Rotatable_Bond_Count	0
9808	Isotope_Atom_Count	0
76442017	Hydrogen_Bond_Donor_Count	1
4984721	Defined_Bond_Stereo_Count	0
62672	Non-hydrogen_Atom_Count	10
10314851	Rotatable_Bond_Count	6
16760159	Tautomer_Count	3
9827294	Undefined_Bond_Stereo_Count	0
3416433	XLogP3-AA	2.1
66882078	Hydrogen_Bond_Donor_Count	1
7778	Molecular_Weight	184.27
84571	Defined_Bond_Stereo_Count	0
122087	Hydrogen_Bond_Donor_Count	1
72999858	Mono_Isotopic_Weight	458.30322444
6053	Defined_Bond_Stereo_Count	0
10758	Tautomer_Count	1
58795738	Total_Formal_Charge	0
77323	Defined_Atom_Stereo_Count	0
1241301	Total_Formal_Charge	0
21972427	TPSA	60.1
164513759	Defined_Atom_Stereo_Count	0
1854	Isotope_Atom_Count	0
57396950	Isotope_Atom_Count	0
5357258	Structure_Complexity	44
5284583	Undefined_Bond_Stereo_Count	0
91148	Undefined_Atom_Stereo_Count	2
138851	Mono_Isotopic_Weight	114.042927438
73030065	Total_Formal_Charge	0
21650900	Hydrogen_Bond_Donor_Count	0
1429	Structure_Complexity	316
21720414	Undefined_Bond_Stereo_Count	0
68068812	Total_Formal_Charge	0
7646	XLogP3	3
71459168	Total_Formal_Charge	0
90943273	Exact_Mass	110.036779430
1576	Total_Formal_Charge	0
8014	Non-hydrogen_Atom_Count	5
22596859	Defined_Bond_Stereo_Count	0
21466713	Total_Formal_Charge	0
5804	Molecular_Weight	635.96
16212247	Rotatable_Bond_Count	0
66540	Exact_Mass	334.21440943
66261	Covalent_Unit_Count	1
117265443	Non-hydrogen_Atom_Count	8
9886249	Undefined_Bond_Stereo_Count	0
205954	Non-hydrogen_Atom_Count	37
11454753	Total_Formal_Charge	0
5288700	Mono_Isotopic_Weight	258.01406892
118972006	XLogP3-AA	1.5
55399	Rotatable_Bond_Count	21
180288	Exact_Mass	724.3998305
86076173	Undefined_Atom_Stereo_Count	0
102004933	Defined_Bond_Stereo_Count	0
85944292	Undefined_Atom_Stereo_Count	0
9806190	Tautomer_Count	42
98733	Total_Formal_Charge	0
1564	Molecular_Weight	265.71
9808	Tautomer_Count	1
99858	Hydrogen_Bond_Donor_Count	1
9793714	Defined_Bond_Stereo_Count	0
6603856	Undefined_Atom_Stereo_Count	0
53311	Defined_Atom_Stereo_Count	0
123265201	Defined_Bond_Stereo_Count	0
36084	Undefined_Atom_Stereo_Count	0
15721166	Undefined_Bond_Stereo_Count	0
4451	Molecular_Weight	567.8
45380936	Structure_Complexity	598
45084999	Hydrogen_Bond_Acceptor_Count	2
91617630	Non-hydrogen_Atom_Count	28
135705228	Non-hydrogen_Atom_Count	36
70545463	Mono_Isotopic_Weight	95.073499291
121207282	Structure_Complexity	155
5026	Non-hydrogen_Atom_Count	26
66295	Mono_Isotopic_Weight	84.057514874
716315	Structure_Complexity	187
118177912	Structure_Complexity	98.2
50997747	Total_Formal_Charge	0
133066	Molecular_Weight	385.28
10465793	Rotatable_Bond_Count	2
451068	Total_Formal_Charge	0
97616695	XLogP3-AA	1.5
90788020	Defined_Atom_Stereo_Count	0
18717626	Undefined_Atom_Stereo_Count	0
636364	Exact_Mass	549.23159287
14457	Non-hydrogen_Atom_Count	15
6326976	Non-hydrogen_Atom_Count	7
2832	Non-hydrogen_Atom_Count	27
10975416	Defined_Atom_Stereo_Count	0
12096	Covalent_Unit_Count	1
95578	Non-hydrogen_Atom_Count	10
232446	Structure_Complexity	269
90208	XLogP3-AA	1.1
72200110	Hydrogen_Bond_Acceptor_Count	3
524270	Defined_Bond_Stereo_Count	0
53903478	Rotatable_Bond_Count	1
85294873	Hydrogen_Bond_Acceptor_Count	2
6586	XLogP3-AA	1.2
11847	Rotatable_Bond_Count	0
96807	Defined_Atom_Stereo_Count	1
68180	Mono_Isotopic_Weight	150.00441
23385871	Hydrogen_Bond_Acceptor_Count	1
75412563	Defined_Bond_Stereo_Count	0
193846	Hydrogen_Bond_Donor_Count	6
164668700	Covalent_Unit_Count	1
49789564	Mono_Isotopic_Weight	298.12521776
127757	Undefined_Atom_Stereo_Count	0
225688	XLogP3-AA	9
19693	Total_Formal_Charge	0
54186	Non-hydrogen_Atom_Count	24
23435	Tautomer_Count	1
20055008	Defined_Atom_Stereo_Count	7
107760	Rotatable_Bond_Count	9
20553328	Molecular_Weight	103.15
2734162	Exact_Mass	139.123523487
25162932	Mono_Isotopic_Weight	239.0951158
7364	Covalent_Unit_Count	1
559	Rotatable_Bond_Count	4
12578246	Total_Formal_Charge	0
9802	Covalent_Unit_Count	1
4448	Total_Formal_Charge	0
3009010	XLogP3-AA	3.6
60207207	Undefined_Bond_Stereo_Count	0
135411	TPSA	57.5
7707	XLogP3	1.3
157	Covalent_Unit_Count	1
135554980	Exact_Mass	87.006876283
2418	Rotatable_Bond_Count	4
9852746	Defined_Atom_Stereo_Count	0
8458	Molecular_Weight	217.20
6518	Rotatable_Bond_Count	8
39266	Covalent_Unit_Count	1
89374433	Defined_Bond_Stereo_Count	0
17778639	Molecular_Weight	84.12
139292184	Defined_Bond_Stereo_Count	0
44457029	Isotope_Atom_Count	0
561657	Defined_Atom_Stereo_Count	0
135398735	Undefined_Bond_Stereo_Count	0
7463	Rotatable_Bond_Count	1
46931005	Total_Formal_Charge	0
7961	TPSA	0
6554	Hydrogen_Bond_Acceptor_Count	0
9234	Rotatable_Bond_Count	0
5311130	Covalent_Unit_Count	1
21583979	Hydrogen_Bond_Donor_Count	1
3476986	Defined_Atom_Stereo_Count	0
49857317	Exact_Mass	394.15535203
11842633	Defined_Atom_Stereo_Count	3
295965	Isotope_Atom_Count	0
270840	Defined_Bond_Stereo_Count	0
9075	Structure_Complexity	65
18213	Structure_Complexity	55
13444041	TPSA	45
124081896	Hydrogen_Bond_Donor_Count	0
18137	Rotatable_Bond_Count	4
395450	Hydrogen_Bond_Acceptor_Count	7
204874	Total_Formal_Charge	0
20426877	Isotope_Atom_Count	0
22135	Isotope_Atom_Count	0
10957430	Tautomer_Count	3
443118	Total_Formal_Charge	0
12140079	Structure_Complexity	151
9162	Total_Formal_Charge	0
14761567	Hydrogen_Bond_Acceptor_Count	4
907504	Rotatable_Bond_Count	0
1507	Total_Formal_Charge	1
102361739	Total_Formal_Charge	0
6426660	Exact_Mass	314.24570956
17499	Undefined_Bond_Stereo_Count	0
517065	Exact_Mass	444.21576897
90476206	Hydrogen_Bond_Acceptor_Count	9
1479	Undefined_Bond_Stereo_Count	1
21903575	Undefined_Bond_Stereo_Count	0
14017587	Structure_Complexity	386
14130	Hydrogen_Bond_Acceptor_Count	3
58612101	Total_Formal_Charge	0
19427	Undefined_Bond_Stereo_Count	0
449215	Non-hydrogen_Atom_Count	7
7883	Rotatable_Bond_Count	2
71451733	Mono_Isotopic_Weight	372.19615422
135465818	Undefined_Atom_Stereo_Count	0
129794671	Undefined_Atom_Stereo_Count	0
122195	Defined_Atom_Stereo_Count	6
54757474	XLogP3-AA	4.7
20495	Tautomer_Count	2
87010	XLogP3-AA	1
71358911	Hydrogen_Bond_Donor_Count	0
547749	TPSA	20.2
217634	Hydrogen_Bond_Acceptor_Count	2
23338788	Isotope_Atom_Count	0
25142042	Mono_Isotopic_Weight	408.19615422
9679	Isotope_Atom_Count	0
71309028	Undefined_Bond_Stereo_Count	0
6419962	Covalent_Unit_Count	2
25298	Molecular_Weight	104.15
7827	Structure_Complexity	109
5195	Isotope_Atom_Count	0
7881	Mono_Isotopic_Weight	210.10209608
59279784	Defined_Atom_Stereo_Count	0
9919942	Rotatable_Bond_Count	28
139584807	Undefined_Atom_Stereo_Count	0
35364	TPSA	0
33775	Isotope_Atom_Count	0
66646	Tautomer_Count	4
98043897	Total_Formal_Charge	0
20060810	Undefined_Bond_Stereo_Count	0
76241	Isotope_Atom_Count	0
141030371	Hydrogen_Bond_Donor_Count	0
98044588	Defined_Bond_Stereo_Count	0
15118	Rotatable_Bond_Count	0
5783	Isotope_Atom_Count	0
70407330	Covalent_Unit_Count	1
266052	Total_Formal_Charge	0
5320867	Exact_Mass	324.183778013
5009	Defined_Bond_Stereo_Count	0
42254	Isotope_Atom_Count	0
68652936	Isotope_Atom_Count	0
54725318	Tautomer_Count	8
70752	Rotatable_Bond_Count	1
13225428	Rotatable_Bond_Count	2
12290031	Exact_Mass	85.089149355
23277878	Defined_Bond_Stereo_Count	0
69079	TPSA	17.1
97886	Non-hydrogen_Atom_Count	18
6433547	Covalent_Unit_Count	1
71430868	Structure_Complexity	685
68294	Defined_Bond_Stereo_Count	0
34296	Undefined_Bond_Stereo_Count	0
234117	Structure_Complexity	352
44033	TPSA	16.6
9830615	Structure_Complexity	1060
123133899	Structure_Complexity	1420
74405857	Undefined_Bond_Stereo_Count	0
2734163	Non-hydrogen_Atom_Count	13
102318232	Hydrogen_Bond_Donor_Count	1
527072	Isotope_Atom_Count	0
139986	Non-hydrogen_Atom_Count	7
125127450	Molecular_Weight	665.7
50163	Defined_Bond_Stereo_Count	0
60837	Non-hydrogen_Atom_Count	47
25203153	Undefined_Atom_Stereo_Count	0
638552	Molecular_Weight	319.9
38881	Defined_Atom_Stereo_Count	0
54413601	Undefined_Bond_Stereo_Count	0
69340823	Structure_Complexity	66.7
16760159	Defined_Bond_Stereo_Count	0
17148	Isotope_Atom_Count	0
76344	Total_Formal_Charge	0
95866	Defined_Atom_Stereo_Count	0
139149	Defined_Bond_Stereo_Count	0
66569	Covalent_Unit_Count	1
57417192	Hydrogen_Bond_Donor_Count	7
16682930	Mono_Isotopic_Weight	114.0989139
82161	TPSA	66.8
136705	Non-hydrogen_Atom_Count	6
5072	Hydrogen_Bond_Donor_Count	1
362096	Covalent_Unit_Count	1
4420	Hydrogen_Bond_Acceptor_Count	4
165154847	Exact_Mass	112.052429494
13625	Structure_Complexity	160
163900	Defined_Atom_Stereo_Count	0
16036788	Isotope_Atom_Count	0
2828	Structure_Complexity	509
21189113	Covalent_Unit_Count	1
10887985	Mono_Isotopic_Weight	138.140850574
10976469	Hydrogen_Bond_Donor_Count	4
6005	Tautomer_Count	171
4740	Defined_Bond_Stereo_Count	0
6993205	Non-hydrogen_Atom_Count	20
55603	Undefined_Bond_Stereo_Count	0
13083754	Molecular_Weight	112.17
6418719	Hydrogen_Bond_Acceptor_Count	10
5702132	Mono_Isotopic_Weight	277.07324176
6334	Hydrogen_Bond_Donor_Count	0
360129	TPSA	139
11944	Undefined_Atom_Stereo_Count	0
10797	TPSA	13.1
5282547	Hydrogen_Bond_Donor_Count	1
73481	Defined_Atom_Stereo_Count	2
9517	Non-hydrogen_Atom_Count	14
42208	Tautomer_Count	2
12750	Rotatable_Bond_Count	0
9786	Structure_Complexity	240
23582412	XLogP3-AA	2.8
260495	Undefined_Bond_Stereo_Count	0
124018515	Hydrogen_Bond_Donor_Count	0
3080904	Isotope_Atom_Count	0
4186	XLogP3-AA	8.6
57501504	Hydrogen_Bond_Acceptor_Count	14
194338	Defined_Bond_Stereo_Count	0
53151	Defined_Atom_Stereo_Count	0
68805	Isotope_Atom_Count	0
71743843	Undefined_Atom_Stereo_Count	0
3885	Mono_Isotopic_Weight	242.094294304
40473182	Isotope_Atom_Count	0
76451	Rotatable_Bond_Count	6
441407	Isotope_Atom_Count	0
76958180	Tautomer_Count	2
218024	Isotope_Atom_Count	0
42512	Rotatable_Bond_Count	7
69158971	Hydrogen_Bond_Acceptor_Count	3
117683867	Defined_Bond_Stereo_Count	0
7567018	Total_Formal_Charge	0
75903	TPSA	78.9
121249	Defined_Bond_Stereo_Count	0
9590	Mono_Isotopic_Weight	141.02260653
7311724	TPSA	67.8
70269	Molecular_Weight	127.10
5281727	Non-hydrogen_Atom_Count	19
8600	Mono_Isotopic_Weight	270.07395278
24183437	Covalent_Unit_Count	2
60096125	Defined_Atom_Stereo_Count	0
1707	Structure_Complexity	794
3482	Covalent_Unit_Count	1
82740	TPSA	317
25244372	Undefined_Bond_Stereo_Count	0
3107	TPSA	113
17310	XLogP3-AA	1.8
18150	Defined_Atom_Stereo_Count	0
166592	Defined_Bond_Stereo_Count	0
44400351	Molecular_Weight	432.5
70385	Undefined_Atom_Stereo_Count	0
24611	Hydrogen_Bond_Donor_Count	0
5288598	Non-hydrogen_Atom_Count	17
122327	Hydrogen_Bond_Acceptor_Count	4
84715999	Structure_Complexity	105
177955	Non-hydrogen_Atom_Count	16
656580	Mono_Isotopic_Weight	422.0283709
8626	Exact_Mass	891.9734866
4636	Structure_Complexity	345
18980946	Structure_Complexity	91.9
93057	Rotatable_Bond_Count	1
11078	Total_Formal_Charge	0
9795291	Isotope_Atom_Count	0
2578	Structure_Complexity	156
123117	Total_Formal_Charge	0
4632	Structure_Complexity	258
3625248	TPSA	106
443945	Tautomer_Count	1
6608	Defined_Bond_Stereo_Count	0
19065710	TPSA	57.5
10251906	Mono_Isotopic_Weight	427.06444
9908783	Rotatable_Bond_Count	3
657308	Mono_Isotopic_Weight	411.14091
21930924	Non-hydrogen_Atom_Count	23
54519	Hydrogen_Bond_Donor_Count	2
681110	Isotope_Atom_Count	0
68617	Hydrogen_Bond_Donor_Count	1
13507	Defined_Atom_Stereo_Count	0
358996	Defined_Bond_Stereo_Count	0
39874	Total_Formal_Charge	0
7465	Exact_Mass	136.088815002
17279	Total_Formal_Charge	0
13695806	Non-hydrogen_Atom_Count	8
12694	Mono_Isotopic_Weight	126.9591691
25244017	Molecular_Weight	336.34
303	Molecular_Weight	408.6
517000	Exact_Mass	388.07290741
173799	Molecular_Weight	464.5
752609	Total_Formal_Charge	0
63096	Undefined_Atom_Stereo_Count	0
10525838	Structure_Complexity	617
15295	Exact_Mass	158.01328108
749823	TPSA	52
140793266	Undefined_Atom_Stereo_Count	0
10526	Defined_Atom_Stereo_Count	5
403805	Hydrogen_Bond_Donor_Count	8
226147	Exact_Mass	242.094294304
15981292	Undefined_Atom_Stereo_Count	0
153	Defined_Atom_Stereo_Count	0
57052261	Defined_Bond_Stereo_Count	0
7043949	Molecular_Weight	162.19
123609380	Exact_Mass	94.078250319
57396085	Molecular_Weight	414.5
49865733	Structure_Complexity	449
20055414	Covalent_Unit_Count	1
8249	Defined_Bond_Stereo_Count	0
58099153	TPSA	13.1
5401	XLogP3	1.4
23663400	Undefined_Bond_Stereo_Count	0
5312115	Undefined_Atom_Stereo_Count	0
23532160	Hydrogen_Bond_Donor_Count	1
40949	Structure_Complexity	470
74441105	Isotope_Atom_Count	0
6604472	Undefined_Bond_Stereo_Count	0
9861	TPSA	20.2
53511	Hydrogen_Bond_Acceptor_Count	2
2315	TPSA	135
11194304	Structure_Complexity	72.9
15980171	Hydrogen_Bond_Donor_Count	3
11593706	Rotatable_Bond_Count	2
11508924	XLogP3-AA	2.3
57249823	Hydrogen_Bond_Donor_Count	0
58775800	XLogP3-AA	0.1
63303	Total_Formal_Charge	1
3459	Defined_Bond_Stereo_Count	0
19371857	Total_Formal_Charge	0
22061626	Non-hydrogen_Atom_Count	8
9180	Exact_Mass	229.089149355
19348571	Hydrogen_Bond_Acceptor_Count	2
2734231	Non-hydrogen_Atom_Count	23
21356	Tautomer_Count	2
20297542	Non-hydrogen_Atom_Count	8
5353466	Rotatable_Bond_Count	6
123208701	Molecular_Weight	99.17
133635911	Total_Formal_Charge	0
74266	Isotope_Atom_Count	0
21328181	Total_Formal_Charge	0
59040622	Structure_Complexity	151
10688007	Hydrogen_Bond_Acceptor_Count	4
70683090	Hydrogen_Bond_Donor_Count	0
67214	Structure_Complexity	1210
68167579	Defined_Atom_Stereo_Count	4
77971	Rotatable_Bond_Count	2
50983	Defined_Atom_Stereo_Count	0
19768189	Exact_Mass	115.063328530
448071	Undefined_Atom_Stereo_Count	0
12524	Structure_Complexity	41.5
16133793	Isotope_Atom_Count	0
19027815	Mono_Isotopic_Weight	107.073499291
243521	Rotatable_Bond_Count	2
160332	XLogP3-AA	5.6
47328	Defined_Bond_Stereo_Count	0
439587	Molecular_Weight	309.36
447339	Exact_Mass	369.08303586
13788048	Exact_Mass	390.0111167
21677822	Covalent_Unit_Count	1
125468	Molecular_Weight	100.12
119570	Non-hydrogen_Atom_Count	14
25306	Isotope_Atom_Count	0
24466	Hydrogen_Bond_Acceptor_Count	4
44521022	Mono_Isotopic_Weight	453.21647512
16722116	Covalent_Unit_Count	2
18781684	Undefined_Bond_Stereo_Count	0
71296943	Mono_Isotopic_Weight	391.23587315
83322	TPSA	97.6
18710045	XLogP3-AA	1.4
8508	Rotatable_Bond_Count	9
20735704	Isotope_Atom_Count	0
220401	Defined_Bond_Stereo_Count	0
20392430	Undefined_Atom_Stereo_Count	1
135887820	XLogP3-AA	6.7
16844	Exact_Mass	149.0607417
54242173	Defined_Atom_Stereo_Count	0
30668	Undefined_Atom_Stereo_Count	1
11032	Exact_Mass	313.13477939
208947	Mono_Isotopic_Weight	293.152812238
6440178	Covalent_Unit_Count	1
5358902	Structure_Complexity	159
3578945	Undefined_Atom_Stereo_Count	0
7819	Undefined_Atom_Stereo_Count	0
5281104	TPSA	60.7
6712744	Hydrogen_Bond_Acceptor_Count	6
154169739	Covalent_Unit_Count	1
71226662	Molecular_Weight	465.5
636523	Structure_Complexity	358
664136	Hydrogen_Bond_Acceptor_Count	5
10430619	XLogP3	1.9
1323703	TPSA	98.2
4171	Non-hydrogen_Atom_Count	19
10606713	Isotope_Atom_Count	0
61249	Defined_Atom_Stereo_Count	0
53484290	Total_Formal_Charge	0
83075	Exact_Mass	271.20216773
95197	Hydrogen_Bond_Acceptor_Count	0
4437320	Undefined_Bond_Stereo_Count	0
10157484	Mono_Isotopic_Weight	394.22564282
15775	Tautomer_Count	1
73854	Isotope_Atom_Count	0
15301081	Undefined_Bond_Stereo_Count	0
31060	Exact_Mass	409.0847635
123191142	Defined_Bond_Stereo_Count	0
88396	Tautomer_Count	2
5468	Mono_Isotopic_Weight	260.05071541
5284343	Mono_Isotopic_Weight	307.962121
13506	TPSA	242
3455	Exact_Mass	450.24826997
77341	Total_Formal_Charge	0
196129	XLogP3-AA	3.9
71857	Exact_Mass	375.15426879
11281300	Undefined_Bond_Stereo_Count	0
8561	Tautomer_Count	1
24723	Isotope_Atom_Count	0
13413802	Hydrogen_Bond_Acceptor_Count	2
71584419	Hydrogen_Bond_Donor_Count	2
6419719	Defined_Atom_Stereo_Count	0
4996851	Hydrogen_Bond_Donor_Count	2
97535	Hydrogen_Bond_Donor_Count	5
65977	Exact_Mass	216.11100700
69061828	Undefined_Atom_Stereo_Count	0
7532	Hydrogen_Bond_Donor_Count	1
97868	Hydrogen_Bond_Donor_Count	2
10404073	Undefined_Atom_Stereo_Count	0
155346	Defined_Bond_Stereo_Count	0
27989	XLogP3-AA	0.1
20693488	Structure_Complexity	28.7
18049	Tautomer_Count	1
5410	Exact_Mass	344.23514488
6437859	Non-hydrogen_Atom_Count	15
63141	Hydrogen_Bond_Donor_Count	0
45480603	TPSA	158
6918988	Hydrogen_Bond_Donor_Count	2
9708	Undefined_Atom_Stereo_Count	0
1504	TPSA	98.8
642163	Defined_Atom_Stereo_Count	1
688363	Structure_Complexity	276
55284853	Isotope_Atom_Count	0
123673485	Defined_Atom_Stereo_Count	0
3023	Undefined_Bond_Stereo_Count	0
11083832	Molecular_Weight	96.09
27501	Total_Formal_Charge	0
893562	Mono_Isotopic_Weight	286.9574550
74408664	Non-hydrogen_Atom_Count	36
12801	Structure_Complexity	222
656917	Exact_Mass	294.15009510
12204059	Undefined_Atom_Stereo_Count	4
13662	Total_Formal_Charge	0
8393	Undefined_Atom_Stereo_Count	0
24721540	Hydrogen_Bond_Acceptor_Count	18
9825084	Total_Formal_Charge	0
562634	Exact_Mass	289.11365002
332389	Total_Formal_Charge	0
123133871	Covalent_Unit_Count	1
149528181	Hydrogen_Bond_Acceptor_Count	2
9601349	Total_Formal_Charge	0
69536	Hydrogen_Bond_Acceptor_Count	16
362413	Defined_Atom_Stereo_Count	1
11957547	Defined_Bond_Stereo_Count	0
3318739	Rotatable_Bond_Count	17
29256	Undefined_Bond_Stereo_Count	0
24798	Hydrogen_Bond_Donor_Count	0
8142	Mono_Isotopic_Weight	148.1018782
57394260	Total_Formal_Charge	0
41793	Undefined_Bond_Stereo_Count	0
82461	Undefined_Bond_Stereo_Count	0
44338773	XLogP3-AA	3.1
22819	Non-hydrogen_Atom_Count	10
11158353	Covalent_Unit_Count	1
5363548	Rotatable_Bond_Count	11
128872	Hydrogen_Bond_Donor_Count	1
16073666	Exact_Mass	650.20959912
4144353	Defined_Atom_Stereo_Count	0
21387	Hydrogen_Bond_Acceptor_Count	1
450050	Covalent_Unit_Count	3
43193	Hydrogen_Bond_Donor_Count	0
22450077	Rotatable_Bond_Count	3
928685	Defined_Bond_Stereo_Count	0
23690449	Tautomer_Count	2
2440	Isotope_Atom_Count	0
630689	Defined_Atom_Stereo_Count	0
24763119	Non-hydrogen_Atom_Count	25
20787	Tautomer_Count	2
254656	Defined_Bond_Stereo_Count	0
97832	Defined_Atom_Stereo_Count	0
103648	XLogP3-AA	3.3
6419966	TPSA	244
71094775	Hydrogen_Bond_Donor_Count	8
5388983	Undefined_Bond_Stereo_Count	0
28876	Defined_Atom_Stereo_Count	0
123940588	Defined_Bond_Stereo_Count	0
66545764	Undefined_Atom_Stereo_Count	0
65482	Hydrogen_Bond_Donor_Count	6
72187524	Defined_Bond_Stereo_Count	2
129728843	Hydrogen_Bond_Acceptor_Count	2
605461	Hydrogen_Bond_Acceptor_Count	2
61080	Defined_Bond_Stereo_Count	0
156186164	Mono_Isotopic_Weight	113.084063974
14027412	Non-hydrogen_Atom_Count	8
123870	TPSA	26
135491728	Exact_Mass	359.1321926
5266	Molecular_Weight	843.1
6180	Rotatable_Bond_Count	5
595317	Covalent_Unit_Count	1
75987414	Total_Formal_Charge	0
312915	Total_Formal_Charge	0
103023	TPSA	90.2
18711391	Undefined_Bond_Stereo_Count	0
4495	TPSA	110
19800669	Defined_Bond_Stereo_Count	0
61530	Undefined_Atom_Stereo_Count	6
45116623	Non-hydrogen_Atom_Count	7
2734941	Rotatable_Bond_Count	4
20111	Rotatable_Bond_Count	7
684433	XLogP3-AA	3.2
91820194	TPSA	121
3326	Non-hydrogen_Atom_Count	28
8983	Undefined_Atom_Stereo_Count	0
40657	Rotatable_Bond_Count	11
76285	Non-hydrogen_Atom_Count	16
111314	Defined_Bond_Stereo_Count	0
23682789	Defined_Atom_Stereo_Count	0
123755	Total_Formal_Charge	0
6113	Undefined_Bond_Stereo_Count	0
9578	Exact_Mass	245.91035
155804760	Defined_Bond_Stereo_Count	0
53465279	Undefined_Atom_Stereo_Count	0
32438	Mono_Isotopic_Weight	124.088815002
63958	XLogP3-AA	2.4
16052015	Isotope_Atom_Count	0
24848322	Hydrogen_Bond_Acceptor_Count	1
164075219	Undefined_Bond_Stereo_Count	0
528604	Isotope_Atom_Count	0
447877	Undefined_Bond_Stereo_Count	0
650960	Exact_Mass	458.24302422
121877	Undefined_Atom_Stereo_Count	0
90479	Non-hydrogen_Atom_Count	18
23625795	Defined_Bond_Stereo_Count	0
54793	Exact_Mass	283.157228913
146681110	Covalent_Unit_Count	1
3082393	Isotope_Atom_Count	0
9881626	Undefined_Bond_Stereo_Count	0
21881641	XLogP3-AA	4.2
70680969	TPSA	66.1
14355311	Mono_Isotopic_Weight	121.01974964
5003	Undefined_Atom_Stereo_Count	0
56955954	Isotope_Atom_Count	0
45874	Undefined_Atom_Stereo_Count	1
138322	Structure_Complexity	154
69262871	Undefined_Atom_Stereo_Count	0
9841	Undefined_Bond_Stereo_Count	0
44445387	Hydrogen_Bond_Acceptor_Count	4
6055792	Undefined_Bond_Stereo_Count	0
473148	Structure_Complexity	226
4054	TPSA	26
54682651	Exact_Mass	342.0658866
16051942	Non-hydrogen_Atom_Count	27
428	Hydrogen_Bond_Acceptor_Count	2
15287162	Structure_Complexity	735
70713	Tautomer_Count	1
15480320	Mono_Isotopic_Weight	257.99075
78979	TPSA	0
155293383	Molecular_Weight	877.0
1396	Undefined_Bond_Stereo_Count	0
13327	Isotope_Atom_Count	0
1855	Undefined_Atom_Stereo_Count	0
107802	Covalent_Unit_Count	1
40467008	Defined_Bond_Stereo_Count	0
120303	Non-hydrogen_Atom_Count	8
375860	TPSA	47.6
16249	TPSA	52.6
12420192	Hydrogen_Bond_Donor_Count	1
7098680	TPSA	61.9
81058	Hydrogen_Bond_Donor_Count	1
66615626	Defined_Bond_Stereo_Count	0
103451287	Mono_Isotopic_Weight	118.062994177
72734520	Undefined_Bond_Stereo_Count	0
5151436	TPSA	20.2
6365145	Isotope_Atom_Count	0
3078	Defined_Bond_Stereo_Count	0
70687305	Total_Formal_Charge	0
593369	Covalent_Unit_Count	1
5375618	Total_Formal_Charge	0
106824140	Non-hydrogen_Atom_Count	8
11247	Covalent_Unit_Count	2
5362708	Mono_Isotopic_Weight	266.18819469
1071	Undefined_Atom_Stereo_Count	0
21331	Isotope_Atom_Count	0
81458	TPSA	0
5283137	Undefined_Bond_Stereo_Count	0
11818	Hydrogen_Bond_Donor_Count	0
9217	Rotatable_Bond_Count	0
147630	Tautomer_Count	1
488	TPSA	201
21576696	Rotatable_Bond_Count	9
402875	Isotope_Atom_Count	0
70381	Tautomer_Count	2
9963148	Rotatable_Bond_Count	26
44426760	Total_Formal_Charge	0
129791	Hydrogen_Bond_Acceptor_Count	5
154109602	Undefined_Atom_Stereo_Count	2
135398633	Covalent_Unit_Count	1
3713298	XLogP3	0.9
6977166	Hydrogen_Bond_Donor_Count	0
1013	Undefined_Bond_Stereo_Count	0
6093219	Molecular_Weight	339.5
13867380	Mono_Isotopic_Weight	113.00884817
51138321	Defined_Bond_Stereo_Count	0
69534	Defined_Bond_Stereo_Count	0
41331	Rotatable_Bond_Count	4
8194	Covalent_Unit_Count	1
11531799	Hydrogen_Bond_Donor_Count	2
102552746	Undefined_Bond_Stereo_Count	0
9909912	Structure_Complexity	108
86252	Exact_Mass	294.1247389
135423770	Undefined_Bond_Stereo_Count	0
44392148	Undefined_Atom_Stereo_Count	0
6445786	Mono_Isotopic_Weight	326.0952687
51003564	Mono_Isotopic_Weight	256.121177757
44251266	Exact_Mass	376.22497412
46225190	Isotope_Atom_Count	0
12257272	Rotatable_Bond_Count	1
26923	Rotatable_Bond_Count	3
46193079	XLogP3	8.1
25590	Hydrogen_Bond_Donor_Count	3
13195064	Rotatable_Bond_Count	0
11953808	Total_Formal_Charge	0
43371	Total_Formal_Charge	0
72200721	Molecular_Weight	522.4
582251	TPSA	45.8
91768	Tautomer_Count	1
136898365	Total_Formal_Charge	0
11599	XLogP3-AA	2.4
122376379	XLogP3-AA	6.3
18314545	Defined_Atom_Stereo_Count	0
8870	Molecular_Weight	129.59
91537	Rotatable_Bond_Count	6
85610	Rotatable_Bond_Count	1
83093	Isotope_Atom_Count	0
908617	Covalent_Unit_Count	1
59252	Hydrogen_Bond_Donor_Count	2
6991966	Undefined_Bond_Stereo_Count	0
10113978	Defined_Atom_Stereo_Count	0
6338	Hydrogen_Bond_Acceptor_Count	0
23567201	Covalent_Unit_Count	1
23235	Tautomer_Count	1
80152	Rotatable_Bond_Count	3
54338696	Structure_Complexity	162
21278826	Exact_Mass	98.084398327
21450089	Hydrogen_Bond_Donor_Count	0
25006687	Hydrogen_Bond_Donor_Count	2
75460	Total_Formal_Charge	0
129864969	Rotatable_Bond_Count	2
47318	Hydrogen_Bond_Acceptor_Count	5
90472752	Tautomer_Count	1
518966	Mono_Isotopic_Weight	80.062600255
89844	Undefined_Bond_Stereo_Count	0
3135	Isotope_Atom_Count	0
14988399	Exact_Mass	85.089149355
11063855	Hydrogen_Bond_Donor_Count	2
135398627	Tautomer_Count	9
165653078	Covalent_Unit_Count	1
86088606	Non-hydrogen_Atom_Count	8
21611	Hydrogen_Bond_Acceptor_Count	2
17980829	Molecular_Weight	199.66
8916	Rotatable_Bond_Count	8
2480	TPSA	55.6
15190	Isotope_Atom_Count	0
102102472	Non-hydrogen_Atom_Count	33
60155459	Isotope_Atom_Count	0
32737	Isotope_Atom_Count	0
65947	Exact_Mass	461.10568470
21185399	Rotatable_Bond_Count	1
91195	TPSA	17.1
133662562	Structure_Complexity	151
10953453	Structure_Complexity	129
60149	Mono_Isotopic_Weight	440.1779173
5318386	Rotatable_Bond_Count	5
69340843	Mono_Isotopic_Weight	111.079647300
5460024	Undefined_Bond_Stereo_Count	0
452126	TPSA	114
57928403	Structure_Complexity	525
22472382	Structure_Complexity	135
11423563	Non-hydrogen_Atom_Count	7
24868273	Undefined_Bond_Stereo_Count	0
4366885	Defined_Atom_Stereo_Count	0
3048355	Structure_Complexity	432
24774912	Undefined_Bond_Stereo_Count	0
24847884	Molecular_Weight	573.7
4369502	Defined_Atom_Stereo_Count	1
9737	Defined_Atom_Stereo_Count	0
11594	Undefined_Bond_Stereo_Count	0
139211202	Hydrogen_Bond_Acceptor_Count	7
135400471	Mono_Isotopic_Weight	241.085126602
147919783	Rotatable_Bond_Count	3
164158597	Defined_Bond_Stereo_Count	0
164330	Mono_Isotopic_Weight	1397.576390
53810451	Undefined_Bond_Stereo_Count	0
16395512	Exact_Mass	822.40378589
96029	TPSA	71.6
54583932	TPSA	54.3
55748	Hydrogen_Bond_Acceptor_Count	4
25201794	Isotope_Atom_Count	0
9918381	Total_Formal_Charge	0
40634	TPSA	66.8
10313382	Hydrogen_Bond_Acceptor_Count	6
92158	TPSA	17.1
9868902	TPSA	58.1
524214	Rotatable_Bond_Count	0
1301	Exact_Mass	252.07623855
14337609	Hydrogen_Bond_Donor_Count	0
158348	Isotope_Atom_Count	0
79441	Covalent_Unit_Count	1
3184	TPSA	90.2
9833407	Defined_Atom_Stereo_Count	7
94306	Tautomer_Count	1
11954292	Mono_Isotopic_Weight	856.46898685
22137188	Hydrogen_Bond_Acceptor_Count	1
18755331	Molecular_Weight	88.11
76973769	XLogP3-AA	2.5
102239071	Defined_Bond_Stereo_Count	0
10433	Defined_Bond_Stereo_Count	0
6420130	Isotope_Atom_Count	0
15930578	Isotope_Atom_Count	0
2734931	Molecular_Weight	156.06
447994	TPSA	119
3117	Defined_Atom_Stereo_Count	0
442530	Molecular_Weight	403.8
71081	XLogP3-AA	1
6917939	Hydrogen_Bond_Acceptor_Count	5
54230	Covalent_Unit_Count	1
17920260	Molecular_Weight	112.17
134826477	Exact_Mass	765.14826780
20769	Molecular_Weight	128.17
154544	Mono_Isotopic_Weight	231.08954328
549097	Isotope_Atom_Count	0
21584701	Undefined_Bond_Stereo_Count	0
86306373	Rotatable_Bond_Count	1
75349	Isotope_Atom_Count	0
830140	Rotatable_Bond_Count	3
3855171	Covalent_Unit_Count	1
70730	Defined_Atom_Stereo_Count	0
6445786	Undefined_Atom_Stereo_Count	2
70301	Molecular_Weight	150.18
702015	Defined_Atom_Stereo_Count	0
23677974	Non-hydrogen_Atom_Count	21
14637946	Undefined_Bond_Stereo_Count	0
71257	TPSA	43.2
11619519	Mono_Isotopic_Weight	458.0968101
17652	XLogP3	1.2
29124	Molecular_Weight	229.28
6950199	Covalent_Unit_Count	1
41663	Rotatable_Bond_Count	1
6427770	XLogP3-AA	2.8
5487542	Rotatable_Bond_Count	5
53384934	Isotope_Atom_Count	0
68374	Undefined_Bond_Stereo_Count	0
12734620	Undefined_Bond_Stereo_Count	0
6918546	TPSA	170
62341	Defined_Atom_Stereo_Count	0
55287958	Hydrogen_Bond_Acceptor_Count	2
91435	Covalent_Unit_Count	1
74764146	Undefined_Bond_Stereo_Count	0
53741494	Covalent_Unit_Count	1
123485747	Rotatable_Bond_Count	2
3590	Hydrogen_Bond_Acceptor_Count	2
10286159	Hydrogen_Bond_Acceptor_Count	3
73115	Rotatable_Bond_Count	2
54710743	Total_Formal_Charge	1
71608540	Mono_Isotopic_Weight	598.35592871
5281915	Hydrogen_Bond_Donor_Count	0
13085350	Isotope_Atom_Count	0
100516	Undefined_Atom_Stereo_Count	0
5289162	Hydrogen_Bond_Acceptor_Count	6
1397	Exact_Mass	658.55362546
31297	Undefined_Bond_Stereo_Count	0
57224326	Hydrogen_Bond_Acceptor_Count	1
9910975	Exact_Mass	436.9977429
8837	Exact_Mass	346.23553880
6199	Exact_Mass	186.031694049
13217907	Covalent_Unit_Count	1
135444614	Rotatable_Bond_Count	7
537037	TPSA	135
11789136	XLogP3-AA	1
836002	Mono_Isotopic_Weight	232.0403406
21987892	Hydrogen_Bond_Donor_Count	0
574450	Covalent_Unit_Count	1
87161809	Hydrogen_Bond_Acceptor_Count	3
3959	Hydrogen_Bond_Acceptor_Count	4
550964	Hydrogen_Bond_Donor_Count	1
26798	Non-hydrogen_Atom_Count	22
8863	Total_Formal_Charge	0
9363	Non-hydrogen_Atom_Count	16
12046	Isotope_Atom_Count	0
71310415	Non-hydrogen_Atom_Count	26
58645437	Hydrogen_Bond_Acceptor_Count	0
45085067	Total_Formal_Charge	0
85608271	Hydrogen_Bond_Acceptor_Count	2
14325610	Structure_Complexity	40.7
25015695	Covalent_Unit_Count	1
122198135	Defined_Bond_Stereo_Count	0
19016756	Hydrogen_Bond_Donor_Count	3
72200409	Structure_Complexity	877
13350797	XLogP3-AA	0.1
611945	Hydrogen_Bond_Donor_Count	0
139084363	Undefined_Atom_Stereo_Count	0
228005	TPSA	0
546	Defined_Bond_Stereo_Count	0
148531825	Mono_Isotopic_Weight	100.100048391
62705689	XLogP3-AA	2.7
57396593	Structure_Complexity	625
64964	Total_Formal_Charge	0
60196380	Molecular_Weight	270.16
19621	Total_Formal_Charge	0
153997	Total_Formal_Charge	0
43558819	Structure_Complexity	122
75947	Isotope_Atom_Count	0
13186	Non-hydrogen_Atom_Count	8
68120	Hydrogen_Bond_Acceptor_Count	2
5281065	Non-hydrogen_Atom_Count	60
545422	Defined_Bond_Stereo_Count	0
78350	Total_Formal_Charge	0
31075	Undefined_Bond_Stereo_Count	0
82461	Non-hydrogen_Atom_Count	14
22420437	Molecular_Weight	83.13
7984	Tautomer_Count	2
11358	Mono_Isotopic_Weight	185.96803
704328	Molecular_Weight	340.5
36188	Defined_Bond_Stereo_Count	0
53779803	Isotope_Atom_Count	0
21585139	Structure_Complexity	0
28003	Undefined_Bond_Stereo_Count	0
19049960	Non-hydrogen_Atom_Count	7
88948	Hydrogen_Bond_Acceptor_Count	4
8747	Undefined_Atom_Stereo_Count	0
65115	Defined_Bond_Stereo_Count	0
66737	Rotatable_Bond_Count	1
13806	Undefined_Bond_Stereo_Count	0
45256107	Exact_Mass	360.12224039
9669	Total_Formal_Charge	0
3392731	Molecular_Weight	502.8
22218878	Exact_Mass	83.037113783
88209	Non-hydrogen_Atom_Count	12
54708299	Undefined_Atom_Stereo_Count	2
3004	Rotatable_Bond_Count	6
3372845	Hydrogen_Bond_Donor_Count	1
98493	Non-hydrogen_Atom_Count	7
516919	Rotatable_Bond_Count	0
14520	Covalent_Unit_Count	1
3081078	Hydrogen_Bond_Acceptor_Count	2
53413800	XLogP3-AA	0.4
53183	Rotatable_Bond_Count	6
413505	Non-hydrogen_Atom_Count	13
12304613	Structure_Complexity	207
25868	Total_Formal_Charge	0
23663939	Hydrogen_Bond_Donor_Count	4
4070	Undefined_Atom_Stereo_Count	0
139584807	Non-hydrogen_Atom_Count	18
15512	Isotope_Atom_Count	0
59072033	Mono_Isotopic_Weight	416.32904526
68260	Exact_Mass	210.140850574
129720364	Molecular_Weight	283.33
44560806	TPSA	150
21958071	Hydrogen_Bond_Donor_Count	3
8168	TPSA	3.2
62705687	Defined_Atom_Stereo_Count	0
22220113	TPSA	59.2
24086	Hydrogen_Bond_Acceptor_Count	5
5464190	Undefined_Bond_Stereo_Count	0
5288679	Rotatable_Bond_Count	6
202877	TPSA	132
70016	Structure_Complexity	179
271553	Hydrogen_Bond_Acceptor_Count	0
5484731	Molecular_Weight	461.5
517072	Rotatable_Bond_Count	0
74864	Hydrogen_Bond_Donor_Count	1
502206	Defined_Atom_Stereo_Count	15
9950094	Mono_Isotopic_Weight	345.1244046
135433604	Isotope_Atom_Count	0
4590704	Molecular_Weight	196.29
81896	Undefined_Bond_Stereo_Count	0
12507024	Undefined_Atom_Stereo_Count	1
11227182	Molecular_Weight	597.7
52943923	Non-hydrogen_Atom_Count	24
5873	Undefined_Bond_Stereo_Count	0
106358	Hydrogen_Bond_Acceptor_Count	4
70769	Covalent_Unit_Count	1
68414798	Rotatable_Bond_Count	5
3985	Rotatable_Bond_Count	26
2905	Hydrogen_Bond_Acceptor_Count	4
52950209	Total_Formal_Charge	0
5355853	Rotatable_Bond_Count	7
14794988	Defined_Bond_Stereo_Count	0
26546	Non-hydrogen_Atom_Count	24
19385693	Exact_Mass	107.048347172
10654193	Hydrogen_Bond_Acceptor_Count	2
121235530	Exact_Mass	3356.8220541
9940086	TPSA	174
89136345	Structure_Complexity	169
129894295	Molecular_Weight	607.7
146921	Defined_Atom_Stereo_Count	0
129146	Undefined_Bond_Stereo_Count	0
67978393	Total_Formal_Charge	0
59296114	Exact_Mass	480.1131242
123543	Defined_Atom_Stereo_Count	0
57442010	Hydrogen_Bond_Acceptor_Count	9
12470257	Hydrogen_Bond_Acceptor_Count	2
9547928	TPSA	226
51399572	Molecular_Weight	499.6
1512518	Tautomer_Count	1
60464	Undefined_Atom_Stereo_Count	0
16217535	Defined_Bond_Stereo_Count	0
4580	Hydrogen_Bond_Acceptor_Count	6
6433266	Hydrogen_Bond_Donor_Count	3
22574	Total_Formal_Charge	0
163957061	Structure_Complexity	40.7
6993205	Undefined_Atom_Stereo_Count	0
54580845	Structure_Complexity	315
16120191	TPSA	72.2
53763878	Isotope_Atom_Count	0
7048523	Covalent_Unit_Count	1
11539562	Undefined_Atom_Stereo_Count	0
11916	Non-hydrogen_Atom_Count	11
6568	Hydrogen_Bond_Acceptor_Count	1
428573	Structure_Complexity	254
2733928	Tautomer_Count	1
136664419	Mono_Isotopic_Weight	528.21078060
21284699	Hydrogen_Bond_Acceptor_Count	2
4133	TPSA	46.5
13443454	TPSA	20.2
149127983	Defined_Bond_Stereo_Count	0
59434	TPSA	46.5
1505	Non-hydrogen_Atom_Count	19
69561	Total_Formal_Charge	0
121290450	Mono_Isotopic_Weight	112.052429494
815863	Defined_Atom_Stereo_Count	0
5282550	Non-hydrogen_Atom_Count	27
71600	Structure_Complexity	79.1
9200	Undefined_Bond_Stereo_Count	0
87700	Hydrogen_Bond_Donor_Count	0
84531	Non-hydrogen_Atom_Count	11
91580832	Hydrogen_Bond_Donor_Count	2
85595	Undefined_Atom_Stereo_Count	0
10657292	XLogP3	0.2
1417	Hydrogen_Bond_Donor_Count	0
6837	Rotatable_Bond_Count	2
5487068	Covalent_Unit_Count	5
23151396	Hydrogen_Bond_Donor_Count	2
31348	Hydrogen_Bond_Acceptor_Count	7
7530950	Covalent_Unit_Count	1
24360	Mono_Isotopic_Weight	348.11100700
27882	Isotope_Atom_Count	0
25058183	Defined_Atom_Stereo_Count	0
87689	Non-hydrogen_Atom_Count	12
9804991	Exact_Mass	475.1873988
5276614	XLogP3-AA	8.4
3038477	Exact_Mass	378.12494298
6379	Structure_Complexity	19.1
3001860	Defined_Bond_Stereo_Count	0
286595	Undefined_Atom_Stereo_Count	0
541623	Mono_Isotopic_Weight	117.078978594
11421	Defined_Bond_Stereo_Count	0
13039	TPSA	55.1
5324108	Defined_Bond_Stereo_Count	0
47318	Rotatable_Bond_Count	1
141545	Defined_Bond_Stereo_Count	0
2754342	Hydrogen_Bond_Acceptor_Count	2
151248	Exact_Mass	233.9865910
54675866	Mono_Isotopic_Weight	153.01878364
181255	Rotatable_Bond_Count	1
14496	Hydrogen_Bond_Acceptor_Count	1
15071433	Defined_Atom_Stereo_Count	4
122517441	Undefined_Bond_Stereo_Count	0
10888051	Isotope_Atom_Count	0
13158036	Hydrogen_Bond_Acceptor_Count	1
163940165	Undefined_Bond_Stereo_Count	0
16135	Undefined_Atom_Stereo_Count	0
9884833	Tautomer_Count	2
136870	Hydrogen_Bond_Acceptor_Count	0
8923	Hydrogen_Bond_Donor_Count	1
5283740	Structure_Complexity	688
62514	Defined_Atom_Stereo_Count	0
67683363	Undefined_Atom_Stereo_Count	0
10449	Tautomer_Count	1
6860	Hydrogen_Bond_Acceptor_Count	0
14523483	Undefined_Bond_Stereo_Count	0
60156	Exact_Mass	303.0120774
6433091	Hydrogen_Bond_Donor_Count	1
9952884	Undefined_Atom_Stereo_Count	0
12515628	Covalent_Unit_Count	1
709170	Rotatable_Bond_Count	4
556684	Structure_Complexity	136
542305	Exact_Mass	118.099379685
77456	Rotatable_Bond_Count	0
66073187	Isotope_Atom_Count	0
165685	Hydrogen_Bond_Acceptor_Count	5
13711	Non-hydrogen_Atom_Count	16
49652396	Non-hydrogen_Atom_Count	85
96129	Undefined_Atom_Stereo_Count	0
5282251	Hydrogen_Bond_Acceptor_Count	10
35922	Exact_Mass	301.14780704
67268	Defined_Atom_Stereo_Count	0
20441	Covalent_Unit_Count	1
91591	Mono_Isotopic_Weight	143.0137915
53850714	Hydrogen_Bond_Acceptor_Count	1
33038	Structure_Complexity	311
59883	Exact_Mass	417.24162724
92839	Exact_Mass	152.083729621
5405	Total_Formal_Charge	0
644102	Structure_Complexity	124
118219535	Covalent_Unit_Count	1
3378440	TPSA	166
27882	Tautomer_Count	1
7831	Rotatable_Bond_Count	23
11498	Undefined_Atom_Stereo_Count	0
15747657	TPSA	99.6
28892	Rotatable_Bond_Count	12
6435068	Rotatable_Bond_Count	11
69	Mono_Isotopic_Weight	156.04225873
6537213	Hydrogen_Bond_Donor_Count	2
98043897	Structure_Complexity	688
3476986	Molecular_Weight	292.3
74038637	Exact_Mass	100.100048391
11450633	Undefined_Bond_Stereo_Count	0
6429278	Non-hydrogen_Atom_Count	8
926	Exact_Mass	664.11694759
65106	Structure_Complexity	403
2256	Isotope_Atom_Count	0
443867	Non-hydrogen_Atom_Count	25
91861230	TPSA	190
2695	Hydrogen_Bond_Acceptor_Count	7
12000240	Rotatable_Bond_Count	11
72390	Total_Formal_Charge	0
152109	Hydrogen_Bond_Acceptor_Count	11
144456	XLogP3-AA	3.2
11291932	Covalent_Unit_Count	1
25137873	Structure_Complexity	386
23552387	Hydrogen_Bond_Acceptor_Count	3
131704481	Molecular_Weight	602.6
53864533	Undefined_Atom_Stereo_Count	0
188414	Defined_Atom_Stereo_Count	0
21680710	Hydrogen_Bond_Donor_Count	2
551296	Mono_Isotopic_Weight	114.104465066
87391	Defined_Bond_Stereo_Count	0
10473927	Hydrogen_Bond_Acceptor_Count	4
65856	Defined_Atom_Stereo_Count	2
10991686	Defined_Bond_Stereo_Count	3
70679035	TPSA	13.7
72704673	Defined_Atom_Stereo_Count	4
11356036	Hydrogen_Bond_Donor_Count	0
61222	Undefined_Atom_Stereo_Count	0
736366	Hydrogen_Bond_Donor_Count	2
78579	Isotope_Atom_Count	0
72582	Mono_Isotopic_Weight	224.20009678
21302490	Defined_Bond_Stereo_Count	0
113606	Total_Formal_Charge	0
135596593	Undefined_Bond_Stereo_Count	0
12436	Structure_Complexity	79.3
570673	Non-hydrogen_Atom_Count	15
133109022	Defined_Atom_Stereo_Count	6
4369524	Mono_Isotopic_Weight	297.09358328
16307	Undefined_Atom_Stereo_Count	0
16216349	Defined_Bond_Stereo_Count	0
129010061	Exact_Mass	560.27338086
259992	Isotope_Atom_Count	0
696858	Hydrogen_Bond_Donor_Count	2
449015	Isotope_Atom_Count	0
156651923	Structure_Complexity	113
36933	Hydrogen_Bond_Donor_Count	1
17997105	Non-hydrogen_Atom_Count	7
83703	Rotatable_Bond_Count	0
91490309	Hydrogen_Bond_Acceptor_Count	3
46830489	XLogP3-AA	4.7
60196402	Hydrogen_Bond_Donor_Count	2
44560772	Undefined_Atom_Stereo_Count	0
76654	Rotatable_Bond_Count	4
46216796	XLogP3-AA	3.8
5385074	Molecular_Weight	416.4
446925	Molecular_Weight	536.9
135423792	Isotope_Atom_Count	0
101606430	TPSA	32.3
5359423	XLogP3	3.4
14723648	Isotope_Atom_Count	0
18608283	Total_Formal_Charge	0
5280450	Molecular_Weight	280.4
114523	XLogP3-AA	2.6
10403	Structure_Complexity	86.7
6996	Covalent_Unit_Count	1
10334	Mono_Isotopic_Weight	156.00674260
137849	TPSA	17.1
10704662	Undefined_Atom_Stereo_Count	1
11147897	Molecular_Weight	163.13
10440976	Molecular_Weight	983.1
87815038	Isotope_Atom_Count	0
96522	Hydrogen_Bond_Acceptor_Count	3
51030529	Hydrogen_Bond_Donor_Count	0
88098	Rotatable_Bond_Count	3
11612445	Covalent_Unit_Count	1
10813807	Undefined_Bond_Stereo_Count	0
22601	Defined_Bond_Stereo_Count	0
75690	Defined_Bond_Stereo_Count	0
156414	Hydrogen_Bond_Donor_Count	2
89664	Defined_Bond_Stereo_Count	0
14465	Undefined_Atom_Stereo_Count	0
68215184	Covalent_Unit_Count	1
69986	Defined_Bond_Stereo_Count	0
8108	Hydrogen_Bond_Acceptor_Count	1
446113	Total_Formal_Charge	0
686073	Undefined_Bond_Stereo_Count	0
2734164	Isotope_Atom_Count	0
20859	Exact_Mass	104.083729621
119098022	Isotope_Atom_Count	0
90078292	Defined_Atom_Stereo_Count	0
96707	XLogP3	0
45480603	Undefined_Bond_Stereo_Count	0
50983	Exact_Mass	401.042525
10203245	Structure_Complexity	574
5977	Non-hydrogen_Atom_Count	8
58660916	Isotope_Atom_Count	0
14444485	Exact_Mass	245.08993720
79784	Undefined_Bond_Stereo_Count	0
7131616	TPSA	41.1
69340339	Undefined_Bond_Stereo_Count	0
688803	Undefined_Bond_Stereo_Count	0
502272	Tautomer_Count	4
159968	Defined_Bond_Stereo_Count	0
944	Undefined_Bond_Stereo_Count	0
39094	Total_Formal_Charge	0
73481	Structure_Complexity	963
137375527	TPSA	59.8
35399	XLogP3-AA	1.4
32247	XLogP3-AA	4.4
130349042	Covalent_Unit_Count	1
69484	Isotope_Atom_Count	0
70774	Non-hydrogen_Atom_Count	11
55182	Structure_Complexity	443
46244454	Undefined_Atom_Stereo_Count	0
124769753	Hydrogen_Bond_Donor_Count	1
138753050	Structure_Complexity	457
12376	Defined_Bond_Stereo_Count	0
551191	Hydrogen_Bond_Acceptor_Count	1
135565472	Hydrogen_Bond_Acceptor_Count	7
13659	Hydrogen_Bond_Donor_Count	0
24802551	Undefined_Atom_Stereo_Count	1
44134815	Hydrogen_Bond_Donor_Count	5
58436	Total_Formal_Charge	0
68942	Undefined_Atom_Stereo_Count	0
71457293	Exact_Mass	469.1404486
123203551	Non-hydrogen_Atom_Count	8
5282796	Covalent_Unit_Count	1
548521	Isotope_Atom_Count	0
108074	Covalent_Unit_Count	1
903698	Defined_Atom_Stereo_Count	0
543995	Non-hydrogen_Atom_Count	8
1130	Isotope_Atom_Count	0
15560527	Rotatable_Bond_Count	0
1277665	Undefined_Bond_Stereo_Count	0
90431674	Hydrogen_Bond_Donor_Count	1
24066917	Structure_Complexity	198
137347968	Defined_Bond_Stereo_Count	0
70297	Molecular_Weight	172.56
12510709	Structure_Complexity	77.6
25184541	Covalent_Unit_Count	1
10329254	Exact_Mass	100.088815002
8413	Hydrogen_Bond_Acceptor_Count	2
151255	Hydrogen_Bond_Acceptor_Count	3
162990680	Hydrogen_Bond_Donor_Count	7
616631	Undefined_Bond_Stereo_Count	0
11957654	Structure_Complexity	518
54570042	Mono_Isotopic_Weight	97.089149355
4549	TPSA	95.2
71777	Undefined_Bond_Stereo_Count	0
58550596	XLogP3-AA	0.8
752860	Defined_Bond_Stereo_Count	0
7792	Hydrogen_Bond_Donor_Count	1
23668193	Rotatable_Bond_Count	0
235269	Exact_Mass	293.91375
7522	Hydrogen_Bond_Donor_Count	0
10969	Hydrogen_Bond_Acceptor_Count	2
129319344	XLogP3-AA	12.1
14843	Structure_Complexity	502
118460828	Molecular_Weight	104.15
17948	Undefined_Atom_Stereo_Count	0
9915743	Defined_Bond_Stereo_Count	1
3082532	Non-hydrogen_Atom_Count	24
156616838	Exact_Mass	342.11621151
89317	Undefined_Atom_Stereo_Count	1
169682	Mono_Isotopic_Weight	200.06194880
53960787	Undefined_Atom_Stereo_Count	1
72187569	Non-hydrogen_Atom_Count	23
53788450	Defined_Bond_Stereo_Count	0
81653	Non-hydrogen_Atom_Count	7
213053	Isotope_Atom_Count	0
12599129	Undefined_Atom_Stereo_Count	0
5667	Rotatable_Bond_Count	10
7048	Undefined_Bond_Stereo_Count	0
447202	Non-hydrogen_Atom_Count	55
443777	Mono_Isotopic_Weight	192.078644241
21357280	Covalent_Unit_Count	1
24450	TPSA	83.4
53701761	Defined_Bond_Stereo_Count	0
348669	Hydrogen_Bond_Acceptor_Count	6
3032600	Molecular_Weight	425.9
58817179	XLogP3-AA	2.9
20055109	Covalent_Unit_Count	1
66679	Non-hydrogen_Atom_Count	12
670	Non-hydrogen_Atom_Count	6
51585	TPSA	62.6
5108383	Defined_Bond_Stereo_Count	0
803776	TPSA	12.5
3716971	Exact_Mass	88.98748351
54568416	Covalent_Unit_Count	1
16832	Covalent_Unit_Count	1
62775	Hydrogen_Bond_Donor_Count	0
22211722	Non-hydrogen_Atom_Count	28
44571915	Mono_Isotopic_Weight	433.0804889
534922	Covalent_Unit_Count	1
5282450	Hydrogen_Bond_Acceptor_Count	7
11073376	Isotope_Atom_Count	0
83363	Mono_Isotopic_Weight	270.140850574
4667	Undefined_Bond_Stereo_Count	1
13099193	Mono_Isotopic_Weight	113.084063974
9888618	Undefined_Atom_Stereo_Count	0
67511	Exact_Mass	86.036779430
9403	Isotope_Atom_Count	0
73049652	Molecular_Weight	957.9
328883	TPSA	46.5
136888457	XLogP3-AA	3.6
7540	Molecular_Weight	310.3
101755686	Exact_Mass	977.52483213
213145	Undefined_Atom_Stereo_Count	0
69173085	Total_Formal_Charge	0
93171	Hydrogen_Bond_Donor_Count	0
16717	Structure_Complexity	149
7244	Isotope_Atom_Count	0
32247	Mono_Isotopic_Weight	337.16126892
31364	Hydrogen_Bond_Acceptor_Count	4
773938	Defined_Atom_Stereo_Count	1
60700	Hydrogen_Bond_Acceptor_Count	7
8257	XLogP3-AA	0.8
8491	Tautomer_Count	1
6914657	Hydrogen_Bond_Acceptor_Count	3
132274082	TPSA	279
18517118	Defined_Atom_Stereo_Count	0
2354	Exact_Mass	281.13889351
97780	XLogP3	3
47884	Rotatable_Bond_Count	7
19354670	Mono_Isotopic_Weight	86.084398327
6992028	Molecular_Weight	416.5
261591	Undefined_Bond_Stereo_Count	0
67505	Molecular_Weight	136.18
91693	Molecular_Weight	284.18
44310707	XLogP3-AA	0.2
168870	Structure_Complexity	1210
9895194	XLogP3-AA	4.8
41170	Isotope_Atom_Count	0
68512	Tautomer_Count	10
9825084	Exact_Mass	452.10176275
14888	Defined_Atom_Stereo_Count	0
2819635	Undefined_Bond_Stereo_Count	0
44416407	Defined_Atom_Stereo_Count	0
8141	Hydrogen_Bond_Acceptor_Count	0
48448	Total_Formal_Charge	0
41958	Covalent_Unit_Count	1
3727	Total_Formal_Charge	0
128913	Tautomer_Count	1
715	Undefined_Atom_Stereo_Count	4
7222	Hydrogen_Bond_Acceptor_Count	2
42553	Defined_Bond_Stereo_Count	0
440967	Hydrogen_Bond_Donor_Count	0
1306	Defined_Bond_Stereo_Count	0
11675388	Structure_Complexity	518
5717801	Defined_Atom_Stereo_Count	0
23423	Defined_Atom_Stereo_Count	9
4627807	Defined_Atom_Stereo_Count	0
17405	TPSA	142
239819	Defined_Bond_Stereo_Count	0
9852519	Covalent_Unit_Count	1
657237	Mono_Isotopic_Weight	285.08733204
78099560	Exact_Mass	462.1686514
140047825	Total_Formal_Charge	0
87501539	Rotatable_Bond_Count	1
16073666	Isotope_Atom_Count	0
60207729	Molecular_Weight	113.08
4059	Mono_Isotopic_Weight	182.094294304
208923	Covalent_Unit_Count	1
156651923	Undefined_Atom_Stereo_Count	2
2759227	Exact_Mass	253.05863707
22138511	Covalent_Unit_Count	1
18730068	Undefined_Bond_Stereo_Count	0
69222	Undefined_Bond_Stereo_Count	0
502272	Non-hydrogen_Atom_Count	24
19063	Isotope_Atom_Count	0
9520	Non-hydrogen_Atom_Count	10
195432	TPSA	118
13609260	Structure_Complexity	78.6
3011721	Undefined_Bond_Stereo_Count	0
3661	Covalent_Unit_Count	1
443881	Isotope_Atom_Count	0
26035	Molecular_Weight	326.5
544596	Total_Formal_Charge	0
657308	Defined_Atom_Stereo_Count	2
10867444	XLogP3-AA	4.4
72160	Undefined_Atom_Stereo_Count	0
88093948	Exact_Mass	416.32904526
13632	Rotatable_Bond_Count	0
20811482	Exact_Mass	97.052763847
13006129	Defined_Bond_Stereo_Count	0
137379058	Molecular_Weight	254.4
63958	Defined_Bond_Stereo_Count	0
54587759	Covalent_Unit_Count	1
548989	Defined_Bond_Stereo_Count	0
544629	Hydrogen_Bond_Acceptor_Count	1
66615270	Undefined_Atom_Stereo_Count	0
6837	Total_Formal_Charge	0
69810334	Structure_Complexity	91
21677759	XLogP3	0.8
73801102	Non-hydrogen_Atom_Count	7
39425	Defined_Bond_Stereo_Count	0
135391180	Total_Formal_Charge	0
50912739	Structure_Complexity	3140
33135	Defined_Atom_Stereo_Count	0
19919696	Structure_Complexity	131
133832	Molecular_Weight	377.5
17150	Structure_Complexity	707
15166	Total_Formal_Charge	0
98174	Defined_Bond_Stereo_Count	0
59557415	Defined_Atom_Stereo_Count	0
24478	TPSA	98
2372	Mono_Isotopic_Weight	345.19400834
141336344	Isotope_Atom_Count	0
10734	Structure_Complexity	154
86856	Molecular_Weight	116.16
10942334	Rotatable_Bond_Count	0
57992081	Rotatable_Bond_Count	5
10058531	Hydrogen_Bond_Donor_Count	2
85475	Defined_Bond_Stereo_Count	0
16049448	Structure_Complexity	581
7771	Tautomer_Count	3
102358067	TPSA	50.8
6426632	Hydrogen_Bond_Acceptor_Count	10
57401369	Isotope_Atom_Count	0
21026	Undefined_Atom_Stereo_Count	0
168924	Total_Formal_Charge	0
68713	Exact_Mass	255.137162174
5280453	Undefined_Atom_Stereo_Count	0
6603149	Defined_Bond_Stereo_Count	0
135398595	Defined_Atom_Stereo_Count	3
55288974	Structure_Complexity	155
91041862	XLogP3-AA	3.4
26534	Molecular_Weight	259.80
2063	Total_Formal_Charge	0
10990876	Exact_Mass	321.94425161
137274216	TPSA	257
14794988	Undefined_Atom_Stereo_Count	0
10709065	Undefined_Bond_Stereo_Count	0
151205	Defined_Atom_Stereo_Count	1
6301	Defined_Bond_Stereo_Count	0
138137	Defined_Bond_Stereo_Count	0
41881	TPSA	145
24646	Molecular_Weight	86.90
9552071	Undefined_Bond_Stereo_Count	0
39075	Mono_Isotopic_Weight	342.2090269
10390369	Non-hydrogen_Atom_Count	35
3678	Non-hydrogen_Atom_Count	21
4908365	Undefined_Bond_Stereo_Count	0
44329367	Total_Formal_Charge	0
42884	Undefined_Bond_Stereo_Count	0
139629011	Rotatable_Bond_Count	2
41097873	Rotatable_Bond_Count	0
534235	Hydrogen_Bond_Acceptor_Count	1
75675	Undefined_Bond_Stereo_Count	0
587348	Isotope_Atom_Count	0
83971	Hydrogen_Bond_Donor_Count	6
5364752	Exact_Mass	84.057514874
67512	Rotatable_Bond_Count	0
9883915	Hydrogen_Bond_Acceptor_Count	2
91223	Tautomer_Count	1
18999	Covalent_Unit_Count	1
22181493	Mono_Isotopic_Weight	96.068748264
76900	Total_Formal_Charge	0
37873	Non-hydrogen_Atom_Count	6
46931057	Rotatable_Bond_Count	17
6165177	XLogP3	1.7
44144517	Defined_Atom_Stereo_Count	1
45410	Isotope_Atom_Count	0
45116623	Molecular_Weight	101.10
35398	Hydrogen_Bond_Donor_Count	3
129320263	Exact_Mass	337.05798562
756126	Undefined_Atom_Stereo_Count	0
141112	Covalent_Unit_Count	1
84141	Non-hydrogen_Atom_Count	17
22135	Defined_Atom_Stereo_Count	0
20974	Isotope_Atom_Count	0
4141	Hydrogen_Bond_Donor_Count	0
67615000	Isotope_Atom_Count	0
56205	Defined_Bond_Stereo_Count	0
6440459	Rotatable_Bond_Count	18
55851	Defined_Atom_Stereo_Count	3
135451156	Mono_Isotopic_Weight	245.09127461
88155838	Defined_Atom_Stereo_Count	5
115739	Non-hydrogen_Atom_Count	14
53421140	Rotatable_Bond_Count	0
86592	Non-hydrogen_Atom_Count	10
101304	XLogP3	1.2
14511497	Molecular_Weight	117.15
3064224	Undefined_Bond_Stereo_Count	0
52343	Molecular_Weight	289.25
11370864	Tautomer_Count	1
6436015	Defined_Bond_Stereo_Count	2
135421876	TPSA	82.5
9593	Undefined_Bond_Stereo_Count	0
70723	Exact_Mass	110.073164938
79718	Isotope_Atom_Count	0
16220016	Molecular_Weight	3431.9
15446403	Exact_Mass	96.057514874
85874	Exact_Mass	245.1182566
440560	Covalent_Unit_Count	1
6418147	Undefined_Bond_Stereo_Count	0
3137736	Rotatable_Bond_Count	3
10034603	Undefined_Bond_Stereo_Count	0
16218641	Defined_Atom_Stereo_Count	0
120738	TPSA	29.5
10316	Undefined_Atom_Stereo_Count	0
18359433	Isotope_Atom_Count	0
10942665	TPSA	43.4
134436906	Mono_Isotopic_Weight	525.24883788
87163	Defined_Bond_Stereo_Count	0
10253143	Non-hydrogen_Atom_Count	29
70177	Defined_Atom_Stereo_Count	0
118897473	XLogP3-AA	6.9
347476	Defined_Atom_Stereo_Count	0
29728	Mono_Isotopic_Weight	269.88910
12777	Non-hydrogen_Atom_Count	10
34692	Defined_Bond_Stereo_Count	0
23665730	Undefined_Bond_Stereo_Count	0
67619	Defined_Bond_Stereo_Count	0
13800357	Undefined_Bond_Stereo_Count	0
15289	Undefined_Atom_Stereo_Count	1
116021439	Total_Formal_Charge	0
91700388	Isotope_Atom_Count	0
129651417	Rotatable_Bond_Count	0
21786	Hydrogen_Bond_Donor_Count	1
57391320	Non-hydrogen_Atom_Count	32
10839	Defined_Bond_Stereo_Count	0
11457683	TPSA	26.3
4627783	Structure_Complexity	84.4
4707	Mono_Isotopic_Weight	329.02761
565424	Non-hydrogen_Atom_Count	10
84063982	TPSA	33
7944	TPSA	9.2
21851	Structure_Complexity	175
44267026	Rotatable_Bond_Count	4
10428273	Covalent_Unit_Count	1
444302	TPSA	104
61865004	Rotatable_Bond_Count	3
133967	Mono_Isotopic_Weight	290.20459364
2622	Total_Formal_Charge	0
2130	XLogP3	2.4
79297905	Defined_Bond_Stereo_Count	0
6916033	Undefined_Bond_Stereo_Count	0
11656753	Undefined_Bond_Stereo_Count	0
70443535	Non-hydrogen_Atom_Count	12
10928	Defined_Bond_Stereo_Count	0
613365	Defined_Atom_Stereo_Count	0
9795	Isotope_Atom_Count	0
9601227	Tautomer_Count	3
76223860	Isotope_Atom_Count	0
7092657	TPSA	37.3
674701	Rotatable_Bond_Count	5
91589206	Molecular_Weight	106.16
5218	Undefined_Bond_Stereo_Count	0
89859387	Non-hydrogen_Atom_Count	8
13371699	TPSA	214
25244048	Covalent_Unit_Count	1
20774105	Structure_Complexity	122
12236939	Structure_Complexity	74.1
87503479	Defined_Atom_Stereo_Count	0
23519852	Defined_Bond_Stereo_Count	0
79811	Exact_Mass	159.0199395
572717	Isotope_Atom_Count	0
71773962	Exact_Mass	363.1601214
5967	Non-hydrogen_Atom_Count	42
718862	Structure_Complexity	347
5352837	Rotatable_Bond_Count	5
484	Rotatable_Bond_Count	0
104741	Rotatable_Bond_Count	14
54493962	XLogP3-AA	1.1
417753	Non-hydrogen_Atom_Count	32
34213	Defined_Atom_Stereo_Count	0
444025	Undefined_Atom_Stereo_Count	0
86322	Total_Formal_Charge	0
9128	Defined_Bond_Stereo_Count	0
68017365	Isotope_Atom_Count	0
6426849	Rotatable_Bond_Count	7
1350	Molecular_Weight	340.18
20836217	Hydrogen_Bond_Donor_Count	0
80875	Exact_Mass	462.136827821
6397	TPSA	0
20096720	Mono_Isotopic_Weight	109.052763847
444346	Undefined_Bond_Stereo_Count	0
2037	Undefined_Bond_Stereo_Count	0
3037	Structure_Complexity	226
64048	TPSA	58.2
46239	Total_Formal_Charge	0
3000450	Undefined_Bond_Stereo_Count	0
60196333	Tautomer_Count	1
141344	Exact_Mass	84.057514874
19743370	Covalent_Unit_Count	1
70949	Rotatable_Bond_Count	1
7697	Structure_Complexity	135
12540922	Total_Formal_Charge	0
696858	Undefined_Bond_Stereo_Count	1
4582877	XLogP3-AA	0.8
46871657	Covalent_Unit_Count	1
75332	Mono_Isotopic_Weight	142.0297759
582708	Defined_Bond_Stereo_Count	0
42599603	Non-hydrogen_Atom_Count	29
13247016	Undefined_Atom_Stereo_Count	1
13138	Covalent_Unit_Count	1
65737	Structure_Complexity	449
9885961	Isotope_Atom_Count	0
49721	Rotatable_Bond_Count	2
733076	Molecular_Weight	241.3
44480399	Undefined_Bond_Stereo_Count	0
74904	Defined_Bond_Stereo_Count	0
87110828	Mono_Isotopic_Weight	688.34721450
17019	Mono_Isotopic_Weight	270.00441
76980	Undefined_Bond_Stereo_Count	0
75358112	Total_Formal_Charge	0
6029	Isotope_Atom_Count	0
193965	Tautomer_Count	2
5288672	Molecular_Weight	359.8
65834	TPSA	20.3
64824	Defined_Bond_Stereo_Count	0
19083156	Isotope_Atom_Count	0
38013	XLogP3	7.2
56841655	TPSA	275
148191	Defined_Bond_Stereo_Count	0
535856	TPSA	25.8
78457	TPSA	72.6
3037131	Structure_Complexity	27.5
24737670	Hydrogen_Bond_Acceptor_Count	5
10949861	Undefined_Bond_Stereo_Count	0
38464	Non-hydrogen_Atom_Count	16
5288269	Total_Formal_Charge	0
13374861	Hydrogen_Bond_Donor_Count	1
100665	Defined_Atom_Stereo_Count	4
21709689	Molecular_Weight	304.12
9821941	Defined_Atom_Stereo_Count	0
1141	Total_Formal_Charge	0
2230	Structure_Complexity	187
75690	Undefined_Atom_Stereo_Count	0
14416612	Covalent_Unit_Count	1
54392998	Undefined_Atom_Stereo_Count	1
72495	Structure_Complexity	976
135297777	Structure_Complexity	733
71584405	Hydrogen_Bond_Donor_Count	2
11954316	Rotatable_Bond_Count	6
87072684	XLogP3-AA	0.8
10044510	Hydrogen_Bond_Donor_Count	1
11499204	Rotatable_Bond_Count	0
11908451	TPSA	190
25014762	Structure_Complexity	553
10930	Defined_Bond_Stereo_Count	0
77191	Hydrogen_Bond_Donor_Count	0
21158562	TPSA	87
54678431	Structure_Complexity	681
6196	XLogP3	2.4
7712	Mono_Isotopic_Weight	162.068079557
143009217	Structure_Complexity	138
119499	Defined_Bond_Stereo_Count	0
6461	Defined_Bond_Stereo_Count	0
12415356	XLogP3-AA	0
37366	TPSA	66.4
101641111	Undefined_Bond_Stereo_Count	0
3321360	Structure_Complexity	149
64139	Exact_Mass	315.0273907
9568613	Covalent_Unit_Count	3
444000	Hydrogen_Bond_Donor_Count	0
121734	Hydrogen_Bond_Acceptor_Count	3
43976	Exact_Mass	328.0648413
41170	Tautomer_Count	1
12259684	Defined_Bond_Stereo_Count	0
9874875	Structure_Complexity	726
18290	TPSA	41.6
565623	Undefined_Bond_Stereo_Count	0
11957593	TPSA	28.7
296732	Defined_Atom_Stereo_Count	0
33934	Total_Formal_Charge	0
199480	Undefined_Bond_Stereo_Count	0
6850837	Hydrogen_Bond_Donor_Count	2
21523541	Mono_Isotopic_Weight	106.078250319
147126464	Structure_Complexity	117
227244	Mono_Isotopic_Weight	71.073499291
54226	Defined_Atom_Stereo_Count	0
124247	Exact_Mass	209.10519334
90165975	Defined_Atom_Stereo_Count	6
11765960	XLogP3	1.8
51341966	Exact_Mass	265.972503
71459166	Undefined_Atom_Stereo_Count	1
10132189	TPSA	61
2724118	Molecular_Weight	282.1
241027	Molecular_Weight	139.19
154202106	TPSA	62.7
28864	Tautomer_Count	4
57667	Isotope_Atom_Count	0
5426	Total_Formal_Charge	0
36982	Undefined_Atom_Stereo_Count	0
9844194	XLogP3-AA	3
77795	Rotatable_Bond_Count	4
550179	Undefined_Atom_Stereo_Count	0
465585	Undefined_Atom_Stereo_Count	0
88707373	Exact_Mass	105.078978594
45116687	Defined_Bond_Stereo_Count	0
690	Hydrogen_Bond_Acceptor_Count	3
14913584	XLogP3-AA	0.8
33400	Total_Formal_Charge	0
4680	Structure_Complexity	407
79583	Exact_Mass	209.03242232
54759	Isotope_Atom_Count	0
23283113	Covalent_Unit_Count	1
2998624	Undefined_Atom_Stereo_Count	1
68036	Defined_Atom_Stereo_Count	0
43457	Undefined_Atom_Stereo_Count	0
107838	Rotatable_Bond_Count	0
59295969	TPSA	145
53340426	Covalent_Unit_Count	1
93171	Tautomer_Count	1
124247	Defined_Bond_Stereo_Count	0
7093	Structure_Complexity	110
67379186	Undefined_Atom_Stereo_Count	0
136502	Exact_Mass	96.068748264
736172	Rotatable_Bond_Count	3
8562	Hydrogen_Bond_Acceptor_Count	3
72200670	Defined_Atom_Stereo_Count	2
60196312	Non-hydrogen_Atom_Count	42
117968974	Undefined_Bond_Stereo_Count	0
3640	Non-hydrogen_Atom_Count	26
54586288	Undefined_Atom_Stereo_Count	0
71829	Undefined_Atom_Stereo_Count	0
39765	Tautomer_Count	1
11712649	Defined_Atom_Stereo_Count	0
11374717	Hydrogen_Bond_Donor_Count	1
5779	Undefined_Atom_Stereo_Count	1
445212	Exact_Mass	252.11100700
69017	Covalent_Unit_Count	1
11697676	Exact_Mass	430.23687621
143228476	Defined_Atom_Stereo_Count	0
79016	Undefined_Atom_Stereo_Count	1
9829162	Hydrogen_Bond_Acceptor_Count	6
77117	Rotatable_Bond_Count	4
18698	Tautomer_Count	2
157294	Exact_Mass	363.19467705
5231297	Molecular_Weight	337.4
81732	Total_Formal_Charge	0
63412	Molecular_Weight	415.9
71395877	XLogP3-AA	2.2
7067897	Hydrogen_Bond_Donor_Count	6
18730058	Covalent_Unit_Count	1
5541	Exact_Mass	218.07903816
14008744	Mono_Isotopic_Weight	117.078978594
779642	Rotatable_Bond_Count	6
402827	Hydrogen_Bond_Acceptor_Count	9
23662383	Mono_Isotopic_Weight	232.07452447
54306059	Total_Formal_Charge	0
56338	Structure_Complexity	536
65051	Molecular_Weight	466.17
16721	Undefined_Bond_Stereo_Count	0
60966	Undefined_Bond_Stereo_Count	0
541123	XLogP3	1.7
534362	Defined_Atom_Stereo_Count	0
135763205	Exact_Mass	384.04160728
11350701	Exact_Mass	421.1656007
64560	Hydrogen_Bond_Donor_Count	0
44123456	Defined_Bond_Stereo_Count	0
20681276	Non-hydrogen_Atom_Count	8
108051	Isotope_Atom_Count	0
5464084	Total_Formal_Charge	0
20232381	Undefined_Bond_Stereo_Count	0
5280581	Undefined_Bond_Stereo_Count	0
68530	Molecular_Weight	156.55
8050	Total_Formal_Charge	0
365	TPSA	389
5524	Molecular_Weight	215.29
3754	Hydrogen_Bond_Acceptor_Count	5
132469488	Undefined_Atom_Stereo_Count	9
11407412	Hydrogen_Bond_Donor_Count	1
71640	Total_Formal_Charge	0
6322	Mono_Isotopic_Weight	174.11167570
12720	Structure_Complexity	51.7
104838	Isotope_Atom_Count	0
96029	Molecular_Weight	175.14
154209129	Defined_Atom_Stereo_Count	0
13969	Mono_Isotopic_Weight	324.16852187
5719	Covalent_Unit_Count	1
33038	Rotatable_Bond_Count	17
4343	Total_Formal_Charge	0
25273215	Total_Formal_Charge	1
61474	Tautomer_Count	1
57558295	Covalent_Unit_Count	1
6433402	Undefined_Bond_Stereo_Count	0
25062766	Undefined_Atom_Stereo_Count	0
12873460	Tautomer_Count	28
34148	XLogP3-AA	6.1
48920	Mono_Isotopic_Weight	283.157228913
9793727	Molecular_Weight	112.13
9800972	Rotatable_Bond_Count	10
74086836	Exact_Mass	183.87579
562634	XLogP3-AA	3.3
25235747	Defined_Bond_Stereo_Count	0
14113	Defined_Bond_Stereo_Count	0
9988	Molecular_Weight	106.10
263086	Tautomer_Count	2
24946105	TPSA	108
6445230	Hydrogen_Bond_Donor_Count	2
2319	Total_Formal_Charge	0
71755913	Hydrogen_Bond_Acceptor_Count	3
159466	Hydrogen_Bond_Acceptor_Count	7
139056	Exact_Mass	108.093900383
80365	Defined_Bond_Stereo_Count	0
129654479	Structure_Complexity	108
5408	Rotatable_Bond_Count	0
91235442	Rotatable_Bond_Count	0
11254	Hydrogen_Bond_Donor_Count	0
2223	Undefined_Atom_Stereo_Count	1
76956224	Molecular_Weight	449.5
82693	Total_Formal_Charge	0
89555	Hydrogen_Bond_Acceptor_Count	1
2569	Molecular_Weight	321.33
81332758	Hydrogen_Bond_Donor_Count	0
4180	Defined_Atom_Stereo_Count	0
76224067	Total_Formal_Charge	0
135554441	Undefined_Atom_Stereo_Count	0
90488850	Non-hydrogen_Atom_Count	36
132399083	Defined_Bond_Stereo_Count	0
103565751	XLogP3-AA	0
6918939	Exact_Mass	112.087472332
9161	Undefined_Atom_Stereo_Count	0
111332	Exact_Mass	386.20932405
19077508	Undefined_Bond_Stereo_Count	0
222786	Exact_Mass	360.19367399
21715587	Defined_Atom_Stereo_Count	0
20561716	Total_Formal_Charge	0
398593	Exact_Mass	293.14666
23661868	Non-hydrogen_Atom_Count	15
100965141	Exact_Mass	342.11638967
24389	Hydrogen_Bond_Donor_Count	1
638047	Rotatable_Bond_Count	2
85764696	Molecular_Weight	114.14
54089	Hydrogen_Bond_Acceptor_Count	3
5281613	Defined_Atom_Stereo_Count	10
5281067	Covalent_Unit_Count	2
16033	Defined_Bond_Stereo_Count	0
529275	XLogP3-AA	3.1
9917968	Tautomer_Count	1
140535901	Undefined_Bond_Stereo_Count	0
11051571	Defined_Bond_Stereo_Count	0
5156	Undefined_Bond_Stereo_Count	0
72493	Undefined_Atom_Stereo_Count	0
54188406	Defined_Bond_Stereo_Count	0
2733928	Structure_Complexity	219
21677760	TPSA	60.2
153380590	Hydrogen_Bond_Donor_Count	0
1804	Undefined_Atom_Stereo_Count	0
2398	Exact_Mass	384.15862589
87560	Covalent_Unit_Count	1
121877	Tautomer_Count	2
13199217	Non-hydrogen_Atom_Count	8
8364	Defined_Bond_Stereo_Count	0
209580	Hydrogen_Bond_Acceptor_Count	3
70014	Defined_Bond_Stereo_Count	0
6365	Mono_Isotopic_Weight	97.9690055
18944758	Defined_Bond_Stereo_Count	0
14489	Defined_Bond_Stereo_Count	0
58195	Non-hydrogen_Atom_Count	26
75355757	Rotatable_Bond_Count	2
441140	Rotatable_Bond_Count	3
12049	Tautomer_Count	1
11332430	Structure_Complexity	132
7447	Molecular_Weight	168.15
22392829	Structure_Complexity	108
71007	Mono_Isotopic_Weight	199.136099547
11360614	Covalent_Unit_Count	1
21828691	Undefined_Bond_Stereo_Count	0
130054486	Undefined_Atom_Stereo_Count	1
16132429	Non-hydrogen_Atom_Count	172
5311501	Rotatable_Bond_Count	4
584	Isotope_Atom_Count	0
7212	Structure_Complexity	105
94215	Exact_Mass	120.078644241
23379007	Total_Formal_Charge	0
15086461	Exact_Mass	108.068748264
25272039	Undefined_Atom_Stereo_Count	0
91778	Structure_Complexity	448
87646	Rotatable_Bond_Count	1
11768523	Mono_Isotopic_Weight	106.053098200
137635	Tautomer_Count	3
91496	Mono_Isotopic_Weight	152.120115130
136738541	Non-hydrogen_Atom_Count	80
643789	Undefined_Bond_Stereo_Count	0
5360315	Hydrogen_Bond_Donor_Count	0
59398673	XLogP3-AA	0.1
32756	TPSA	273
40153	XLogP3-AA	2.8
25058183	Mono_Isotopic_Weight	370.1327168
83859	Total_Formal_Charge	0
81832	Hydrogen_Bond_Donor_Count	3
573598	Undefined_Atom_Stereo_Count	0
230995	TPSA	26.3
88953	Rotatable_Bond_Count	7
2724640	Hydrogen_Bond_Donor_Count	2
3081	Defined_Bond_Stereo_Count	0
3104	Undefined_Atom_Stereo_Count	4
441242	Isotope_Atom_Count	0
17506	Non-hydrogen_Atom_Count	17
22221739	Exact_Mass	98.036779430
52941568	Hydrogen_Bond_Donor_Count	0
6437877	Rotatable_Bond_Count	12
11006	Undefined_Bond_Stereo_Count	0
85248	Defined_Atom_Stereo_Count	0
10307909	Non-hydrogen_Atom_Count	14
10232719	Undefined_Bond_Stereo_Count	0
9552077	Rotatable_Bond_Count	0
22274879	Exact_Mass	112.03851076
80293	Defined_Bond_Stereo_Count	0
16735405	TPSA	284
5879	Structure_Complexity	459
5318156	Hydrogen_Bond_Donor_Count	8
303892	Non-hydrogen_Atom_Count	18
20162	Total_Formal_Charge	0
150175	Exact_Mass	237.06372245
79474	Undefined_Bond_Stereo_Count	0
73608879	Mono_Isotopic_Weight	120.90381
964856	Defined_Bond_Stereo_Count	0
3073200	Exact_Mass	246.05282342
149798	Isotope_Atom_Count	0
137203329	Non-hydrogen_Atom_Count	13
36978	Isotope_Atom_Count	0
8020	Structure_Complexity	12.4
9584	Mono_Isotopic_Weight	111.048427358
11988	Isotope_Atom_Count	0
24868320	Hydrogen_Bond_Acceptor_Count	7
78225435	Defined_Atom_Stereo_Count	3
8757	Structure_Complexity	25.5
123134657	Defined_Bond_Stereo_Count	1
20188118	Hydrogen_Bond_Donor_Count	0
71857	Non-hydrogen_Atom_Count	27
11136	Defined_Bond_Stereo_Count	0
16218742	Covalent_Unit_Count	2
7173	Isotope_Atom_Count	0
141959525	TPSA	12
17407	Hydrogen_Bond_Acceptor_Count	3
6604910	Mono_Isotopic_Weight	292.121177757
18467	Total_Formal_Charge	0
2659	Undefined_Atom_Stereo_Count	2
398745	TPSA	36.3
6540478	Defined_Atom_Stereo_Count	6
5256574	Molecular_Weight	152.25
5830	Exact_Mass	178.05984080
21379	Undefined_Bond_Stereo_Count	0
10102486	Total_Formal_Charge	2
14529	Undefined_Atom_Stereo_Count	0
12316	Rotatable_Bond_Count	2
13170	Structure_Complexity	254
18616487	Covalent_Unit_Count	1
20681301	Non-hydrogen_Atom_Count	8
5523	Rotatable_Bond_Count	4
6780	TPSA	34.1
6127	Rotatable_Bond_Count	2
13068890	Hydrogen_Bond_Acceptor_Count	1
57721	Exact_Mass	485.22609631
5352133	Defined_Bond_Stereo_Count	0
13367	Hydrogen_Bond_Acceptor_Count	1
53672	Hydrogen_Bond_Acceptor_Count	10
95362	Tautomer_Count	1
4662	Defined_Atom_Stereo_Count	0
18952320	Hydrogen_Bond_Acceptor_Count	1
30667	Hydrogen_Bond_Acceptor_Count	2
11504350	Exact_Mass	505.2132196
704481	Defined_Bond_Stereo_Count	0
3955344	Rotatable_Bond_Count	1
57656869	Structure_Complexity	514
7621	Rotatable_Bond_Count	8
5454	Structure_Complexity	711
71311337	Hydrogen_Bond_Donor_Count	1
12922658	Undefined_Bond_Stereo_Count	0
140672839	Structure_Complexity	853
25114553	Structure_Complexity	665
9793723	Non-hydrogen_Atom_Count	8
21365956	Undefined_Bond_Stereo_Count	0
964	Hydrogen_Bond_Donor_Count	2
572516	TPSA	25.8
39801	Total_Formal_Charge	0
5924208	Exact_Mass	520.79460
15144	Rotatable_Bond_Count	2
11538592	Rotatable_Bond_Count	4
43471	Non-hydrogen_Atom_Count	12
141315890	Structure_Complexity	72.1
23940	Defined_Atom_Stereo_Count	0
44407	Undefined_Atom_Stereo_Count	0
17321	Covalent_Unit_Count	1
556303	TPSA	0
14	Rotatable_Bond_Count	13
57505393	Hydrogen_Bond_Donor_Count	1
274234	Undefined_Bond_Stereo_Count	0
62739	Molecular_Weight	258.23
139088888	Undefined_Atom_Stereo_Count	0
101882103	Hydrogen_Bond_Donor_Count	0
6367	Structure_Complexity	33
10214378	Exact_Mass	86.036779430
3017748	Molecular_Weight	191.12
88267	Rotatable_Bond_Count	2
19651	Isotope_Atom_Count	0
788	TPSA	382
25244520	Defined_Bond_Stereo_Count	0
2981	XLogP3	2.7
522596	Undefined_Atom_Stereo_Count	0
16135415	Mono_Isotopic_Weight	2637.0983357
6154	Tautomer_Count	2
43507	Isotope_Atom_Count	0
23668195	Rotatable_Bond_Count	0
4845	Defined_Atom_Stereo_Count	0
12307804	Defined_Bond_Stereo_Count	0
151062	Isotope_Atom_Count	0
165879	Rotatable_Bond_Count	2
129851390	XLogP3-AA	1.4
3033867	Defined_Atom_Stereo_Count	4
87532	Hydrogen_Bond_Donor_Count	0
24864718	Exact_Mass	487.1065616
476770	XLogP3-AA	6.4
9931156	XLogP3-AA	2.2
55007	Molecular_Weight	304.3
7837	Hydrogen_Bond_Acceptor_Count	3
6089	Hydrogen_Bond_Donor_Count	1
44190553	Structure_Complexity	341
58407	Rotatable_Bond_Count	9
97727	Molecular_Weight	271.8
90272	Molecular_Weight	262.69
55286252	Non-hydrogen_Atom_Count	10
13459667	Undefined_Atom_Stereo_Count	1
6442439	Isotope_Atom_Count	0
397053	XLogP3-AA	4.5
26927	Covalent_Unit_Count	1
239071	Exact_Mass	252.08585488
60199634	TPSA	109
44423	Defined_Bond_Stereo_Count	0
18698	TPSA	26.3
3049	Molecular_Weight	266.3
111332	Defined_Bond_Stereo_Count	0
14251035	TPSA	35.5
89162	Non-hydrogen_Atom_Count	16
101611446	Hydrogen_Bond_Acceptor_Count	0
25084151	Hydrogen_Bond_Donor_Count	16
38103	Undefined_Atom_Stereo_Count	0
46934729	Defined_Atom_Stereo_Count	0
115817	Non-hydrogen_Atom_Count	25
57234721	Mono_Isotopic_Weight	96.057514874
71342	Tautomer_Count	5
61741273	Total_Formal_Charge	0
23725056	Molecular_Weight	761.8
4839	Defined_Bond_Stereo_Count	0
153835411	Isotope_Atom_Count	0
13789889	Mono_Isotopic_Weight	97.052763847
5280649	Mono_Isotopic_Weight	144.102453689
71890	TPSA	76.7
2782524	XLogP3-AA	1
154016567	Molecular_Weight	111.10
5281032	Structure_Complexity	548
57394197	TPSA	77.6
72276	Covalent_Unit_Count	1
9571062	TPSA	132
23670774	Undefined_Bond_Stereo_Count	0
58087	Covalent_Unit_Count	1
23568701	Covalent_Unit_Count	1
17516	Defined_Atom_Stereo_Count	0
72200037	Rotatable_Bond_Count	9
1470	TPSA	87
12867435	Non-hydrogen_Atom_Count	7
33820	Rotatable_Bond_Count	14
135436538	Defined_Bond_Stereo_Count	0
6413	Covalent_Unit_Count	1
11154925	Defined_Bond_Stereo_Count	0
5372405	Molecular_Weight	281.31
5311271	Hydrogen_Bond_Acceptor_Count	5
2532	Non-hydrogen_Atom_Count	26
86181474	Defined_Bond_Stereo_Count	0
53898601	Molecular_Weight	116.16
129858712	Isotope_Atom_Count	0
11652722	Covalent_Unit_Count	1
13087266	Structure_Complexity	64.6
16760189	Defined_Bond_Stereo_Count	0
6708733	Structure_Complexity	1050
18997160	Exact_Mass	115.063328530
9840857	Hydrogen_Bond_Acceptor_Count	3
11148	Undefined_Bond_Stereo_Count	0
98053103	Undefined_Atom_Stereo_Count	0
40344	TPSA	52.9
86000267	Total_Formal_Charge	0
172288	Hydrogen_Bond_Donor_Count	0
18616052	Non-hydrogen_Atom_Count	8
24873435	Molecular_Weight	749.9
16850	Hydrogen_Bond_Acceptor_Count	5
129726370	Hydrogen_Bond_Acceptor_Count	2
32737	Defined_Atom_Stereo_Count	0
21202	Mono_Isotopic_Weight	262.168127949
45167	Rotatable_Bond_Count	4
59296090	Defined_Atom_Stereo_Count	1
5464262	Mono_Isotopic_Weight	570.0888804
9570985	TPSA	297
18591	Covalent_Unit_Count	1
4278	Total_Formal_Charge	0
76957235	Structure_Complexity	593
62328	Defined_Atom_Stereo_Count	0
91617	Molecular_Weight	534.5
47445	Defined_Bond_Stereo_Count	0
91472	Hydrogen_Bond_Acceptor_Count	1
40550	Undefined_Atom_Stereo_Count	0
40302	Rotatable_Bond_Count	1
10934636	Exact_Mass	274.04773803
95652	Undefined_Atom_Stereo_Count	1
11870469	Hydrogen_Bond_Donor_Count	2
10486817	Structure_Complexity	104
23665411	Undefined_Bond_Stereo_Count	0
947097	Hydrogen_Bond_Donor_Count	1
63992	Defined_Atom_Stereo_Count	0
6432906	Non-hydrogen_Atom_Count	10
285402	Structure_Complexity	292
6538996	Hydrogen_Bond_Acceptor_Count	7
26956	Total_Formal_Charge	0
11477652	Undefined_Atom_Stereo_Count	0
6100711	Mono_Isotopic_Weight	287.886175
373077	Isotope_Atom_Count	0
10398490	Isotope_Atom_Count	0
2529	Undefined_Atom_Stereo_Count	2
181287	XLogP3-AA	1.3
408285	Undefined_Atom_Stereo_Count	0
9877306	Defined_Atom_Stereo_Count	14
130113566	Defined_Atom_Stereo_Count	0
44310721	XLogP3-AA	1.3
1080	Rotatable_Bond_Count	5
2734227	Isotope_Atom_Count	0
452977	Defined_Atom_Stereo_Count	5
247974	TPSA	57.5
875202	Rotatable_Bond_Count	3
69676	TPSA	9.2
139078692	Undefined_Bond_Stereo_Count	0
175854	Hydrogen_Bond_Acceptor_Count	2
8177	XLogP3	0.6
261555	Mono_Isotopic_Weight	444.36034539
21264915	Undefined_Bond_Stereo_Count	0
135887832	Hydrogen_Bond_Acceptor_Count	14
124584674	Undefined_Atom_Stereo_Count	0
72148	Total_Formal_Charge	0
25172086	Defined_Atom_Stereo_Count	1
50942697	Structure_Complexity	710
44224136	Mono_Isotopic_Weight	381.21647512
69332648	Hydrogen_Bond_Donor_Count	2
67406	Covalent_Unit_Count	1
138402870	Non-hydrogen_Atom_Count	77
64769	Defined_Bond_Stereo_Count	0
54678407	Rotatable_Bond_Count	2
22401764	Isotope_Atom_Count	0
15156556	Undefined_Atom_Stereo_Count	0
5353760	Covalent_Unit_Count	1
53774272	Hydrogen_Bond_Acceptor_Count	1
70540665	Defined_Bond_Stereo_Count	0
129681809	Covalent_Unit_Count	1
303830	Total_Formal_Charge	0
17903417	Covalent_Unit_Count	1
2783	Non-hydrogen_Atom_Count	17
73680	Mono_Isotopic_Weight	669.06554367
9265	Undefined_Atom_Stereo_Count	0
101535535	Hydrogen_Bond_Donor_Count	1
18714263	Mono_Isotopic_Weight	111.079647300
156838775	TPSA	23.8
11137890	Exact_Mass	188.177630004
70265	Hydrogen_Bond_Donor_Count	2
49865972	XLogP3-AA	3.6
69027241	Defined_Bond_Stereo_Count	0
437	Rotatable_Bond_Count	4
5167	Undefined_Atom_Stereo_Count	1
91129494	TPSA	192
5787	Undefined_Atom_Stereo_Count	0
9689	Tautomer_Count	1
3702	Covalent_Unit_Count	1
83827	Defined_Atom_Stereo_Count	4
137784	Structure_Complexity	82
9297	Isotope_Atom_Count	0
44563145	Molecular_Weight	382.4
6800	Molecular_Weight	500.64
17855362	Non-hydrogen_Atom_Count	6
5280970	Tautomer_Count	1
7764	Tautomer_Count	1
7048611	Isotope_Atom_Count	0
5201	Defined_Atom_Stereo_Count	0
3058839	Non-hydrogen_Atom_Count	19
44392244	Defined_Bond_Stereo_Count	0
10246418	Undefined_Atom_Stereo_Count	0
66537	Non-hydrogen_Atom_Count	16
66624275	Undefined_Atom_Stereo_Count	0
1549018	Molecular_Weight	164.24
168447	Tautomer_Count	1
11600783	Non-hydrogen_Atom_Count	12
60196425	Molecular_Weight	491.3
68845	Hydrogen_Bond_Donor_Count	1
45052197	Defined_Atom_Stereo_Count	0
59665343	Covalent_Unit_Count	1
10159630	Covalent_Unit_Count	1
56955180	Undefined_Bond_Stereo_Count	0
71366347	Undefined_Atom_Stereo_Count	2
213046	Defined_Bond_Stereo_Count	0
7742	Rotatable_Bond_Count	2
155346	Hydrogen_Bond_Donor_Count	3
9543528	TPSA	36.3
36846	Mono_Isotopic_Weight	319.157228913
5672	Hydrogen_Bond_Donor_Count	2
71584544	Hydrogen_Bond_Donor_Count	2
71253	Mono_Isotopic_Weight	382.16747650
61347	Hydrogen_Bond_Acceptor_Count	1
21079839	Total_Formal_Charge	0
768325	Structure_Complexity	269
24180719	Non-hydrogen_Atom_Count	27
44485	Isotope_Atom_Count	0
18755330	XLogP3-AA	0.2
24857	Isotope_Atom_Count	0
45263503	TPSA	64.6
9952	Exact_Mass	309.21040730
6360	Tautomer_Count	1
11669698	TPSA	168
687	Hydrogen_Bond_Donor_Count	5
54688693	Undefined_Bond_Stereo_Count	0
21823	Exact_Mass	217.110278721
520780	Exact_Mass	87.068413911
71743826	Total_Formal_Charge	0
67568	XLogP3-AA	3
25611	Hydrogen_Bond_Acceptor_Count	1
441276	Isotope_Atom_Count	0
10364	Hydrogen_Bond_Acceptor_Count	1
91172822	XLogP3-AA	5.1
53779803	Defined_Atom_Stereo_Count	0
135027	Mono_Isotopic_Weight	297.209264485
11001318	Tautomer_Count	1
88261	Hydrogen_Bond_Donor_Count	2
60196395	Rotatable_Bond_Count	2
57557625	XLogP3-AA	4
65677	Undefined_Atom_Stereo_Count	0
17310	Defined_Bond_Stereo_Count	0
11500877	Covalent_Unit_Count	1
129636048	Defined_Atom_Stereo_Count	6
10997483	Mono_Isotopic_Weight	171.068413911
44193577	Exact_Mass	399.11946125
91506	Structure_Complexity	1610
131398469	Mono_Isotopic_Weight	111.068413911
2317	Hydrogen_Bond_Donor_Count	4
11974215	Exact_Mass	511.22309724
104150	Undefined_Atom_Stereo_Count	0
7192	Tautomer_Count	2
45358084	Covalent_Unit_Count	2
24809526	Molecular_Weight	373.4
422478	Defined_Bond_Stereo_Count	0
114750	Isotope_Atom_Count	0
61209	TPSA	34.1
53361524	Hydrogen_Bond_Donor_Count	2
70754	Covalent_Unit_Count	1
63088	TPSA	0
5017	Total_Formal_Charge	0
21307	Defined_Atom_Stereo_Count	0
460129	Defined_Bond_Stereo_Count	0
139086956	Hydrogen_Bond_Acceptor_Count	6
17945614	Undefined_Bond_Stereo_Count	0
12296	Molecular_Weight	102.17
16371051	Structure_Complexity	532
102004571	TPSA	118
72210	Defined_Atom_Stereo_Count	3
53705537	Defined_Bond_Stereo_Count	0
69851796	Defined_Bond_Stereo_Count	0
13708	Defined_Atom_Stereo_Count	0
9936	Undefined_Atom_Stereo_Count	0
289807	Undefined_Bond_Stereo_Count	0
11417954	Isotope_Atom_Count	0
1469	Rotatable_Bond_Count	15
37393	Molecular_Weight	500.4
11560414	Hydrogen_Bond_Acceptor_Count	9
88332	Hydrogen_Bond_Donor_Count	0
157042408	Non-hydrogen_Atom_Count	8
96335	Isotope_Atom_Count	0
48276	TPSA	30.7
58599	Structure_Complexity	316
57452	Molecular_Weight	210.66
688217	Mono_Isotopic_Weight	339.14705815
984170	Rotatable_Bond_Count	3
54766	Hydrogen_Bond_Acceptor_Count	6
11788284	Molecular_Weight	114.19
67979331	Defined_Atom_Stereo_Count	0
79088	TPSA	60.2
57261612	Structure_Complexity	89.7
1516	Hydrogen_Bond_Donor_Count	3
499953	Structure_Complexity	857
53847404	Total_Formal_Charge	0
261407	Total_Formal_Charge	0
24480	Non-hydrogen_Atom_Count	3
132274070	Rotatable_Bond_Count	11
8992	Defined_Atom_Stereo_Count	0
63011	Mono_Isotopic_Weight	382.0931640
1516	Exact_Mass	272.96367
3611	Rotatable_Bond_Count	1
572516	Defined_Bond_Stereo_Count	0
145607000	Defined_Bond_Stereo_Count	0
219101	Covalent_Unit_Count	1
3034393	Covalent_Unit_Count	1
23677992	Undefined_Atom_Stereo_Count	0
101670359	Molecular_Weight	300.5
80037	Undefined_Bond_Stereo_Count	0
40469210	Mono_Isotopic_Weight	384.07215933
12500939	Structure_Complexity	80.2
10471931	Structure_Complexity	530
656743	Non-hydrogen_Atom_Count	28
97868	Defined_Bond_Stereo_Count	0
89158693	Mono_Isotopic_Weight	110.073164938
5958	Covalent_Unit_Count	1
92649	Structure_Complexity	271
68604	Molecular_Weight	401.5
312666	Defined_Bond_Stereo_Count	0
118855445	Hydrogen_Bond_Donor_Count	15
676243	Structure_Complexity	409
137319715	Defined_Bond_Stereo_Count	0
1305	Defined_Atom_Stereo_Count	0
58247643	Hydrogen_Bond_Donor_Count	1
5370325	Undefined_Bond_Stereo_Count	0
71733	Molecular_Weight	261.36
84179	Mono_Isotopic_Weight	163.099714038
17461	Exact_Mass	904.04446352
5356697	Molecular_Weight	82.10
10567	Isotope_Atom_Count	0
11658655	Undefined_Bond_Stereo_Count	0
6419930	XLogP3	0.6
17617	Covalent_Unit_Count	1
86790	Hydrogen_Bond_Donor_Count	0
4447605	Non-hydrogen_Atom_Count	7
4217966	TPSA	69.1
90728924	Undefined_Bond_Stereo_Count	0
11378474	Undefined_Atom_Stereo_Count	0
59330719	Undefined_Bond_Stereo_Count	0
163050675	Rotatable_Bond_Count	0
12205389	Isotope_Atom_Count	1
137347969	Hydrogen_Bond_Donor_Count	1
129848458	Structure_Complexity	525
67452149	Rotatable_Bond_Count	0
134812477	Structure_Complexity	851
15013749	Isotope_Atom_Count	0
9895694	Mono_Isotopic_Weight	642.39203944
75769	Covalent_Unit_Count	1
176155	Exact_Mass	377.09981148
68643	Defined_Bond_Stereo_Count	0
76292	Isotope_Atom_Count	0
12226	Undefined_Bond_Stereo_Count	0
8821	Molecular_Weight	100.12
24848325	Isotope_Atom_Count	0
3573	Undefined_Atom_Stereo_Count	12
10558	Covalent_Unit_Count	1
56052	Undefined_Atom_Stereo_Count	2
25181577	Isotope_Atom_Count	0
59398673	Mono_Isotopic_Weight	96.021129366
9908880	Covalent_Unit_Count	1
70685697	Total_Formal_Charge	0
8122	Exact_Mass	312.302830514
44350128	Hydrogen_Bond_Acceptor_Count	3
54394679	Exact_Mass	108.043596145
5468154	Total_Formal_Charge	0
72388	Total_Formal_Charge	0
5357580	Hydrogen_Bond_Acceptor_Count	4
9892540	XLogP3-AA	3.8
136257950	XLogP3-AA	4.7
418360	Structure_Complexity	325
54023308	XLogP3-AA	1.3
96821	Molecular_Weight	176.17
79008	Rotatable_Bond_Count	1
92722	Isotope_Atom_Count	0
5384200	Undefined_Bond_Stereo_Count	0
6358	Total_Formal_Charge	0
69589310	Mono_Isotopic_Weight	114.104465066
60199965	Non-hydrogen_Atom_Count	35
79142	Mono_Isotopic_Weight	114.068079557
12385939	Mono_Isotopic_Weight	117.053826475
441558	TPSA	18.5
70813	Hydrogen_Bond_Donor_Count	0
54726192	Undefined_Atom_Stereo_Count	0
550814	Mono_Isotopic_Weight	116.083729621
5289159	Hydrogen_Bond_Donor_Count	1
56955286	Undefined_Bond_Stereo_Count	0
53387035	Defined_Bond_Stereo_Count	0
58126	Non-hydrogen_Atom_Count	15
68490094	Total_Formal_Charge	0
978766	Rotatable_Bond_Count	5
56603728	Defined_Bond_Stereo_Count	0
10824	Undefined_Bond_Stereo_Count	0
6410734	Non-hydrogen_Atom_Count	24
16664362	Defined_Atom_Stereo_Count	0
1771194	Structure_Complexity	702
8961	Non-hydrogen_Atom_Count	11
26859	Covalent_Unit_Count	1
447360	Non-hydrogen_Atom_Count	28
132192027	Covalent_Unit_Count	1
129674754	Defined_Bond_Stereo_Count	0
443130	TPSA	85.9
323180	Undefined_Atom_Stereo_Count	0
129737769	Total_Formal_Charge	0
5287851	Hydrogen_Bond_Acceptor_Count	4
9969613	Defined_Atom_Stereo_Count	0
15981895	Isotope_Atom_Count	0
9962644	Mono_Isotopic_Weight	842.51400504
57330203	Isotope_Atom_Count	0
34572	Undefined_Atom_Stereo_Count	0
168623	Total_Formal_Charge	0
70220	Rotatable_Bond_Count	2
5360460	Covalent_Unit_Count	1
12409162	Non-hydrogen_Atom_Count	8
123377064	Rotatable_Bond_Count	0
101080369	Defined_Bond_Stereo_Count	0
14786268	Mono_Isotopic_Weight	114.068079557
5281650	Non-hydrogen_Atom_Count	30
19606581	Hydrogen_Bond_Acceptor_Count	4
7835	Molecular_Weight	92.52
12285862	Mono_Isotopic_Weight	180.06338810
16683091	Exact_Mass	767.69088
6857538	Undefined_Atom_Stereo_Count	0
20	Covalent_Unit_Count	1
9464	Mono_Isotopic_Weight	203.074642105
20847	Non-hydrogen_Atom_Count	24
5020	Undefined_Bond_Stereo_Count	0
221050	Mono_Isotopic_Weight	102.068079557
15144	XLogP3-AA	0.4
183812	Non-hydrogen_Atom_Count	31
49865496	Defined_Bond_Stereo_Count	0
93321	Isotope_Atom_Count	0
13761352	Hydrogen_Bond_Donor_Count	0
67214459	Total_Formal_Charge	0
3035241	Undefined_Bond_Stereo_Count	0
49784084	Defined_Atom_Stereo_Count	0
9820073	Total_Formal_Charge	0
73895182	Mono_Isotopic_Weight	315.04913502
20449	Undefined_Bond_Stereo_Count	0
20060494	Undefined_Bond_Stereo_Count	0
90495	Molecular_Weight	218.25
129629392	Isotope_Atom_Count	1
7270	XLogP3	4.6
25243853	Molecular_Weight	436.5
54757630	Rotatable_Bond_Count	8
93535113	Non-hydrogen_Atom_Count	19
73438935	Defined_Atom_Stereo_Count	11
122760	Exact_Mass	116.01566732
25030387	Undefined_Bond_Stereo_Count	0
156617849	Isotope_Atom_Count	0
12934018	Covalent_Unit_Count	1
76218	Isotope_Atom_Count	0
5460626	Defined_Atom_Stereo_Count	0
8946	Non-hydrogen_Atom_Count	10
5927	Tautomer_Count	1
11137	Non-hydrogen_Atom_Count	10
7029	Covalent_Unit_Count	1
129831062	Undefined_Bond_Stereo_Count	2
64350	Covalent_Unit_Count	2
87671146	Covalent_Unit_Count	1
21583979	Total_Formal_Charge	1
19366304	Rotatable_Bond_Count	7
136045807	Undefined_Atom_Stereo_Count	0
156616838	Rotatable_Bond_Count	4
21817604	Non-hydrogen_Atom_Count	7
2762785	Defined_Atom_Stereo_Count	0
20219	Rotatable_Bond_Count	9
136729	Hydrogen_Bond_Donor_Count	0
356101	Covalent_Unit_Count	1
11957515	TPSA	23.5
173411	Hydrogen_Bond_Acceptor_Count	9
25244760	Molecular_Weight	137.05
3047830	Defined_Atom_Stereo_Count	0
6364	Total_Formal_Charge	0
88257494	Mono_Isotopic_Weight	112.063662883
48882	Defined_Atom_Stereo_Count	0
410906	Undefined_Atom_Stereo_Count	0
6918788	Molecular_Weight	596.4
129636908	Hydrogen_Bond_Acceptor_Count	21
68333315	Covalent_Unit_Count	1
10772959	Hydrogen_Bond_Acceptor_Count	3
12750	Molecular_Weight	83.13
17818	Covalent_Unit_Count	1
439691	Exact_Mass	103.063328530
70310	Hydrogen_Bond_Donor_Count	0
11213	Isotope_Atom_Count	0
5249538	Exact_Mass	138.091889006
18730080	XLogP3-AA	3
11596983	Exact_Mass	422.21066147
100934359	Defined_Bond_Stereo_Count	0
14151226	Defined_Bond_Stereo_Count	0
23669619	Hydrogen_Bond_Acceptor_Count	2
74015886	Structure_Complexity	483
436515	Rotatable_Bond_Count	5
3683	XLogP3-AA	1.9
46231497	Defined_Atom_Stereo_Count	0
104778	Isotope_Atom_Count	0
5241	Molecular_Weight	597.96
129851390	Hydrogen_Bond_Donor_Count	3
21883050	Undefined_Atom_Stereo_Count	0
69135	Isotope_Atom_Count	0
585785	Defined_Atom_Stereo_Count	0
14524652	Rotatable_Bond_Count	0
16733194	Defined_Atom_Stereo_Count	0
3033050	Structure_Complexity	869
131003005	Mono_Isotopic_Weight	112.088815002
56677275	Isotope_Atom_Count	0
4478	Hydrogen_Bond_Donor_Count	7
13810	Covalent_Unit_Count	2
22450283	Isotope_Atom_Count	0
89332529	Exact_Mass	180.06338810
142966	Molecular_Weight	68.07
83949	Hydrogen_Bond_Acceptor_Count	13
219301	Undefined_Atom_Stereo_Count	0
163276613	XLogP3-AA	0.5
2202	Total_Formal_Charge	0
91543	XLogP3-AA	2.2
14969	Non-hydrogen_Atom_Count	101
16050553	Mono_Isotopic_Weight	381.24162724
14066	Non-hydrogen_Atom_Count	7
123237074	Undefined_Bond_Stereo_Count	0
58714	Covalent_Unit_Count	1
12264928	Structure_Complexity	68.3
7626	Undefined_Atom_Stereo_Count	0
2734164	Defined_Atom_Stereo_Count	0
5362129	Isotope_Atom_Count	0
3034393	Hydrogen_Bond_Donor_Count	2
21616978	Isotope_Atom_Count	0
13787747	Covalent_Unit_Count	3
516356	Total_Formal_Charge	0
11306	Defined_Atom_Stereo_Count	0
22486473	Undefined_Bond_Stereo_Count	0
30190	Defined_Atom_Stereo_Count	0
156758105	Covalent_Unit_Count	1
7059472	Defined_Atom_Stereo_Count	3
13306871	TPSA	40.5
8078	Defined_Bond_Stereo_Count	0
67621	Structure_Complexity	209
145325785	Covalent_Unit_Count	1
5826113	Undefined_Atom_Stereo_Count	0
57485872	Non-hydrogen_Atom_Count	8
542338	Non-hydrogen_Atom_Count	7
627458	Tautomer_Count	1
4451502	Covalent_Unit_Count	1
6241	Hydrogen_Bond_Donor_Count	4
23311753	Undefined_Atom_Stereo_Count	2
59968312	Undefined_Atom_Stereo_Count	0
5288615	Molecular_Weight	398.5
2062	Structure_Complexity	621
548545	Covalent_Unit_Count	1
85960	Hydrogen_Bond_Acceptor_Count	4
6041	Hydrogen_Bond_Acceptor_Count	3
53698003	Rotatable_Bond_Count	0
135410914	Covalent_Unit_Count	1
18506396	Isotope_Atom_Count	0
67247849	Undefined_Bond_Stereo_Count	0
58270057	Undefined_Bond_Stereo_Count	0
12452048	Total_Formal_Charge	0
5284369	Undefined_Bond_Stereo_Count	0
9578243	Rotatable_Bond_Count	6
45791261	Hydrogen_Bond_Donor_Count	1
12285886	Isotope_Atom_Count	1
59059060	Mono_Isotopic_Weight	112.04367633
54307121	Rotatable_Bond_Count	2
97337	Total_Formal_Charge	0
3003	Isotope_Atom_Count	0
192706	Non-hydrogen_Atom_Count	25
17842350	Structure_Complexity	129
24838350	Undefined_Bond_Stereo_Count	0
9934492	TPSA	213
260809	Rotatable_Bond_Count	0
909860	Isotope_Atom_Count	0
8497	Molecular_Weight	167.12
71517697	Molecular_Weight	457.5
28950993	Non-hydrogen_Atom_Count	7
2826731	Defined_Atom_Stereo_Count	0
9325	Undefined_Bond_Stereo_Count	0
20169	Mono_Isotopic_Weight	312.13615911
86063	Undefined_Atom_Stereo_Count	1
4685	Molecular_Weight	147.00
38035	Exact_Mass	255.961333
11207217	Isotope_Atom_Count	0
37427	Rotatable_Bond_Count	4
33960	XLogP3-AA	3
7026090	Molecular_Weight	110.11
71458921	XLogP3-AA	2.2
220502	Isotope_Atom_Count	0
4185	TPSA	164
534471	Structure_Complexity	129
54132691	Undefined_Bond_Stereo_Count	0
53324736	Undefined_Atom_Stereo_Count	1
22055193	Hydrogen_Bond_Acceptor_Count	2
524266	Structure_Complexity	101
688570	XLogP3-AA	2.3
13999819	Isotope_Atom_Count	0
66885	Hydrogen_Bond_Donor_Count	2
82111162	Exact_Mass	115.099714038
2129427	Exact_Mass	309.07495584
9916195	Rotatable_Bond_Count	7
16737690	Isotope_Atom_Count	0
81	Rotatable_Bond_Count	8
403803	Undefined_Bond_Stereo_Count	0
85364156	Undefined_Atom_Stereo_Count	1
90243427	Molecular_Weight	101.15
11062312	Hydrogen_Bond_Acceptor_Count	1
234735	Structure_Complexity	94
6327	Hydrogen_Bond_Acceptor_Count	0
1549026	Undefined_Bond_Stereo_Count	0
89197	Mono_Isotopic_Weight	111.068413911
13531383	Hydrogen_Bond_Acceptor_Count	2
6326972	Total_Formal_Charge	0
41794	Rotatable_Bond_Count	2
54081	Rotatable_Bond_Count	12
16950	Molecular_Weight	290.27
102019	Isotope_Atom_Count	0
139283	Mono_Isotopic_Weight	65.97882412
133057415	Hydrogen_Bond_Acceptor_Count	3
75821	Covalent_Unit_Count	1
14494975	Structure_Complexity	138
24825271	Hydrogen_Bond_Acceptor_Count	6
101879801	Total_Formal_Charge	0
8882	Structure_Complexity	38
17930361	Total_Formal_Charge	0
3685	XLogP3	1.9
16133899	Exact_Mass	6093.0853594
8053	Structure_Complexity	63.4
87501539	Non-hydrogen_Atom_Count	8
33960	Undefined_Bond_Stereo_Count	0
17754178	Molecular_Weight	160.28
89292361	Mono_Isotopic_Weight	100.100048391
8635	Exact_Mass	151.063328530
71449857	Non-hydrogen_Atom_Count	32
6918543	Total_Formal_Charge	0
14459015	Undefined_Atom_Stereo_Count	0
11217523	Hydrogen_Bond_Donor_Count	2
894	Defined_Bond_Stereo_Count	0
444698	Rotatable_Bond_Count	4
64666823	Exact_Mass	100.088815002
72266	Total_Formal_Charge	0
1077757	Defined_Atom_Stereo_Count	0
596	Defined_Bond_Stereo_Count	0
444020	Defined_Bond_Stereo_Count	0
23080901	Rotatable_Bond_Count	2
556487	Exact_Mass	94.078250319
11315446	Undefined_Atom_Stereo_Count	0
13827562	Mono_Isotopic_Weight	206.167065321
91688	Defined_Atom_Stereo_Count	0
84003	Undefined_Bond_Stereo_Count	0
15324722	Undefined_Bond_Stereo_Count	0
124946	Undefined_Atom_Stereo_Count	0
152257	Exact_Mass	201.151749610
6918486	Tautomer_Count	1001
23675746	Molecular_Weight	352.4
59383280	Undefined_Bond_Stereo_Count	0
821217	Covalent_Unit_Count	1
3084169	Defined_Bond_Stereo_Count	0
119057560	Isotope_Atom_Count	4
6331075	Hydrogen_Bond_Donor_Count	2
21585139	Hydrogen_Bond_Acceptor_Count	1
137185902	Total_Formal_Charge	0
81509	Isotope_Atom_Count	0
31373	Defined_Atom_Stereo_Count	0
10407447	TPSA	12.5
24206429	Tautomer_Count	1
53724680	Mono_Isotopic_Weight	99.104799419
80875	Hydrogen_Bond_Donor_Count	0
980	Undefined_Bond_Stereo_Count	0
67240553	Defined_Atom_Stereo_Count	0
4354	Defined_Atom_Stereo_Count	0
170286	Hydrogen_Bond_Acceptor_Count	9
20607916	Defined_Atom_Stereo_Count	0
16219444	Undefined_Bond_Stereo_Count	0
22779	Total_Formal_Charge	0
54710212	Total_Formal_Charge	0
12298	Undefined_Atom_Stereo_Count	0
68546	TPSA	107
86583	Hydrogen_Bond_Donor_Count	1
2435	Tautomer_Count	4
159809	Isotope_Atom_Count	0
78435478	TPSA	50.8
53893636	Molecular_Weight	83.13
4961823	Exact_Mass	102.079312947
905454	Rotatable_Bond_Count	4
2723816	Isotope_Atom_Count	0
3940691	Non-hydrogen_Atom_Count	16
28	Structure_Complexity	229
16211941	Non-hydrogen_Atom_Count	12
13392742	Undefined_Atom_Stereo_Count	0
37511	Molecular_Weight	103.16
5020115	Non-hydrogen_Atom_Count	6
2346	Structure_Complexity	132
307976	Rotatable_Bond_Count	0
11420409	Mono_Isotopic_Weight	488.13498116
9572720	Undefined_Atom_Stereo_Count	0
272696	Structure_Complexity	82.7
440068	Exact_Mass	434.24334058
179668	TPSA	49.3
18414702	XLogP3-AA	0.3
68260574	Undefined_Bond_Stereo_Count	0
5094384	Rotatable_Bond_Count	0
11953808	Rotatable_Bond_Count	10
101176453	Molecular_Weight	1034.2
642765	Total_Formal_Charge	0
117717938	Defined_Bond_Stereo_Count	0
158343497	Defined_Bond_Stereo_Count	0
85673900	TPSA	38
119569	Undefined_Bond_Stereo_Count	0
101955	Exact_Mass	102.0086696
10154017	Molecular_Weight	103.16
136585	XLogP3-AA	2.4
9843089	Hydrogen_Bond_Acceptor_Count	8
692366	Rotatable_Bond_Count	3
33599	Defined_Bond_Stereo_Count	0
5351141	Mono_Isotopic_Weight	435.1844180
118984445	Isotope_Atom_Count	0
11005	Defined_Bond_Stereo_Count	0
76673	Defined_Bond_Stereo_Count	0
74789	TPSA	77.3
107780	Undefined_Atom_Stereo_Count	0
5479787	Molecular_Weight	557.5
10132209	Hydrogen_Bond_Donor_Count	1
12182	Covalent_Unit_Count	1
28429	Defined_Atom_Stereo_Count	0
642240	Defined_Bond_Stereo_Count	1
5281042	Structure_Complexity	1550
93544	Covalent_Unit_Count	1
24287	Exact_Mass	261.774663
5497105	Exact_Mass	447.17015238
8944	Structure_Complexity	431
30373	Rotatable_Bond_Count	5
5460822	Non-hydrogen_Atom_Count	13
10909482	Structure_Complexity	85.4
9361	Defined_Bond_Stereo_Count	0
2392	Undefined_Bond_Stereo_Count	0
16738693	Total_Formal_Charge	0
10254	Mono_Isotopic_Weight	148.088815002
123892691	Covalent_Unit_Count	1
16058	TPSA	62
984454	XLogP3-AA	5.4
125127452	Isotope_Atom_Count	0
11995188	Undefined_Atom_Stereo_Count	0
7331	Total_Formal_Charge	0
68705	Defined_Bond_Stereo_Count	0
65802	XLogP3-AA	1
90472753	Tautomer_Count	1
138393806	Covalent_Unit_Count	1
94532	Undefined_Bond_Stereo_Count	0
66735	Hydrogen_Bond_Acceptor_Count	1
2572037	Hydrogen_Bond_Acceptor_Count	3
74093	Undefined_Atom_Stereo_Count	0
7068	Tautomer_Count	3
460129	Undefined_Atom_Stereo_Count	0
445638	Total_Formal_Charge	0
95433	Undefined_Bond_Stereo_Count	0
13867124	Isotope_Atom_Count	0
91469	Defined_Bond_Stereo_Count	0
718	Undefined_Atom_Stereo_Count	4
909	Defined_Bond_Stereo_Count	0
4055279	Covalent_Unit_Count	1
12729	Undefined_Atom_Stereo_Count	0
8499	Tautomer_Count	1
135347950	Defined_Atom_Stereo_Count	0
102446	Defined_Bond_Stereo_Count	0
4136526	Covalent_Unit_Count	1
611	Molecular_Weight	147.13
12563868	Total_Formal_Charge	0
11346811	Rotatable_Bond_Count	10
250096	Isotope_Atom_Count	0
57624328	Defined_Bond_Stereo_Count	0
216235	Undefined_Atom_Stereo_Count	0
20797	XLogP3-AA	3.9
129726050	Exact_Mass	512.11299
123504	Hydrogen_Bond_Acceptor_Count	2
45120331	Hydrogen_Bond_Acceptor_Count	1
11438771	Rotatable_Bond_Count	3
407	Isotope_Atom_Count	0
49869312	Undefined_Bond_Stereo_Count	0
191109	Exact_Mass	131.037113783
1753	Undefined_Atom_Stereo_Count	6
418587	Mono_Isotopic_Weight	677.30474055
3197630	Structure_Complexity	635
6604183	Isotope_Atom_Count	0
53364498	Molecular_Weight	519.6
91394869	Defined_Bond_Stereo_Count	0
16767284	Undefined_Atom_Stereo_Count	0
123592678	Undefined_Atom_Stereo_Count	2
17852315	Hydrogen_Bond_Donor_Count	1
10949	Hydrogen_Bond_Acceptor_Count	5
82202	Tautomer_Count	2
20652538	Exact_Mass	78.0469501914
44561	Rotatable_Bond_Count	0
15311935	TPSA	76.5
21651128	Total_Formal_Charge	0
587348	Defined_Atom_Stereo_Count	0
56746	Hydrogen_Bond_Acceptor_Count	4
99290	Mono_Isotopic_Weight	190.09535693
20524	XLogP3	0.3
65409	Exact_Mass	324.89063
224244	Rotatable_Bond_Count	0
226274	Molecular_Weight	113.16
67641738	Defined_Bond_Stereo_Count	0
19526	Structure_Complexity	70.1
7306	Defined_Atom_Stereo_Count	0
4403	Molecular_Weight	361.25
12136363	Covalent_Unit_Count	1
457801	Exact_Mass	414.386166214
1197	Non-hydrogen_Atom_Count	20
44412	Undefined_Atom_Stereo_Count	0
84063979	Covalent_Unit_Count	1
859174	Total_Formal_Charge	0
134558090	Isotope_Atom_Count	0
446317	Covalent_Unit_Count	1
5373493	XLogP3	0.3
67473	Covalent_Unit_Count	1
6432709	Covalent_Unit_Count	1
15548	Undefined_Atom_Stereo_Count	1
7560	Molecular_Weight	164.20
6977135	Total_Formal_Charge	0
7081	Covalent_Unit_Count	1
5282230	Exact_Mass	327.11067264
104416	Undefined_Bond_Stereo_Count	0
92155	Structure_Complexity	730
2321753	Undefined_Atom_Stereo_Count	0
94834	Defined_Atom_Stereo_Count	0
2724032	Hydrogen_Bond_Acceptor_Count	1
6895	Non-hydrogen_Atom_Count	9
12745213	Defined_Bond_Stereo_Count	0
55284178	Hydrogen_Bond_Acceptor_Count	4
213037	Molecular_Weight	576.5
566032	Non-hydrogen_Atom_Count	12
10209	XLogP3-AA	2.8
2947	Hydrogen_Bond_Donor_Count	1
90472770	Structure_Complexity	151
66041	XLogP3-AA	3.5
115234	Molecular_Weight	500.8
53174	Non-hydrogen_Atom_Count	20
55285315	Exact_Mass	125.07014524
16051969	Non-hydrogen_Atom_Count	78
8710	Total_Formal_Charge	0
66545764	Rotatable_Bond_Count	8
5324489	Molecular_Weight	100.16
46783859	Total_Formal_Charge	0
503	Molecular_Weight	117.11
12678417	Rotatable_Bond_Count	1
61274	Defined_Atom_Stereo_Count	0
13112619	TPSA	12
12367	Tautomer_Count	1
67375395	Structure_Complexity	568
9703	Undefined_Atom_Stereo_Count	0
10197657	TPSA	43.1
6733	Molecular_Weight	230.26
4786	Hydrogen_Bond_Donor_Count	2
13317841	Non-hydrogen_Atom_Count	8
11115995	Covalent_Unit_Count	1
5352449	Defined_Bond_Stereo_Count	2
12541465	Rotatable_Bond_Count	2
2402	Molecular_Weight	453.5
138108	Undefined_Atom_Stereo_Count	0
4888	TPSA	59.4
7675	Molecular_Weight	123.15
70688569	Mono_Isotopic_Weight	385.16510826
12180	Covalent_Unit_Count	1
16224058	Hydrogen_Bond_Donor_Count	2
11245700	Hydrogen_Bond_Donor_Count	1
439155	Defined_Atom_Stereo_Count	5
4506	XLogP3	2.2
138924	TPSA	0
28264	Non-hydrogen_Atom_Count	8
61899	Tautomer_Count	1
10473088	Undefined_Atom_Stereo_Count	0
85296	Non-hydrogen_Atom_Count	9
3257	Hydrogen_Bond_Acceptor_Count	13
5458993	Exact_Mass	332.12598835
6711153	XLogP3-AA	7.5
23039770	Mono_Isotopic_Weight	95.037113783
557495	Mono_Isotopic_Weight	100.052429494
87847445	Non-hydrogen_Atom_Count	8
558102	Total_Formal_Charge	0
79117667	Hydrogen_Bond_Acceptor_Count	3
34502	Molecular_Weight	612.97
57497484	Exact_Mass	324.183778013
6425	Defined_Atom_Stereo_Count	0
108835	Defined_Atom_Stereo_Count	0
53670643	TPSA	72.2
12765	Non-hydrogen_Atom_Count	9
164912	Defined_Atom_Stereo_Count	0
112030	Total_Formal_Charge	0
163050681	Undefined_Atom_Stereo_Count	1
640	Non-hydrogen_Atom_Count	16
14872190	Defined_Bond_Stereo_Count	0
91707	Molecular_Weight	361.8
731361	Rotatable_Bond_Count	5
166473353	Structure_Complexity	94.7
6763	Covalent_Unit_Count	1
3002120	XLogP3-AA	2.7
439263	Hydrogen_Bond_Donor_Count	1
2724552	Defined_Bond_Stereo_Count	0
1173	TPSA	66.8
47104	Structure_Complexity	350
5299	Defined_Atom_Stereo_Count	0
45357147	Undefined_Bond_Stereo_Count	0
44719490	Rotatable_Bond_Count	6
4496	Hydrogen_Bond_Acceptor_Count	4
498156	Undefined_Bond_Stereo_Count	0
5359484	Structure_Complexity	292
1646	Rotatable_Bond_Count	3
53359023	Non-hydrogen_Atom_Count	27
5463858	Hydrogen_Bond_Acceptor_Count	5
444183	Exact_Mass	215.05587416
2775103	Mono_Isotopic_Weight	222.01399312
122669	Defined_Atom_Stereo_Count	0
136219151	Rotatable_Bond_Count	4
110373	Non-hydrogen_Atom_Count	8
53909396	Molecular_Weight	88.11
10282265	Isotope_Atom_Count	0
44570384	Total_Formal_Charge	0
53956489	Hydrogen_Bond_Donor_Count	1
12242916	Hydrogen_Bond_Donor_Count	0
5702077	Covalent_Unit_Count	1
410865	Structure_Complexity	370
142101289	Hydrogen_Bond_Acceptor_Count	3
14013	Structure_Complexity	24.8
9946953	Non-hydrogen_Atom_Count	24
56935	Defined_Atom_Stereo_Count	0
785	Defined_Bond_Stereo_Count	0
5706540	Molecular_Weight	301.46
7435	Defined_Atom_Stereo_Count	0
506152	Structure_Complexity	691
123479258	Defined_Bond_Stereo_Count	0
25022354	Structure_Complexity	558
605877	Defined_Bond_Stereo_Count	0
25014598	Non-hydrogen_Atom_Count	35
139449	Molecular_Weight	94.15
66110	Structure_Complexity	28.4
10894	Total_Formal_Charge	0
3050432	Hydrogen_Bond_Acceptor_Count	2
4019563	Molecular_Weight	420.4
586676	Molecular_Weight	180.20
10048368	Molecular_Weight	431.3
22833506	Mono_Isotopic_Weight	410.1051646
20695	Rotatable_Bond_Count	0
25563	Defined_Atom_Stereo_Count	0
147246033	Mono_Isotopic_Weight	98.073164938
1098	Non-hydrogen_Atom_Count	62
53464	Undefined_Atom_Stereo_Count	0
54688706	Total_Formal_Charge	0
7364357	Isotope_Atom_Count	0
395106	Non-hydrogen_Atom_Count	25
440466	Undefined_Bond_Stereo_Count	0
11113597	TPSA	166
11966129	Isotope_Atom_Count	0
90473076	Hydrogen_Bond_Donor_Count	5
69318	Tautomer_Count	1
93577	Undefined_Bond_Stereo_Count	0
5281080	TPSA	145
51136560	Non-hydrogen_Atom_Count	63
10449	XLogP3-AA	1.3
36560	Covalent_Unit_Count	2
69260851	Structure_Complexity	571
135413554	Total_Formal_Charge	0
11550004	Defined_Atom_Stereo_Count	0
265370	TPSA	20.1
56205	Covalent_Unit_Count	2
115116	Exact_Mass	286.15689456
86640	Total_Formal_Charge	0
23422644	Covalent_Unit_Count	1
123585399	Mono_Isotopic_Weight	97.052763847
45120480	Isotope_Atom_Count	0
740525	Covalent_Unit_Count	1
17360	Isotope_Atom_Count	0
133268492	Defined_Atom_Stereo_Count	10
66409	Molecular_Weight	426.6
656609	Mono_Isotopic_Weight	477.21832559
5388992	Isotope_Atom_Count	0
173685	Defined_Bond_Stereo_Count	0
57398257	Total_Formal_Charge	0
77286	XLogP3	2.7
30251	Molecular_Weight	284.2
10654176	Undefined_Atom_Stereo_Count	1
701841	Covalent_Unit_Count	1
16222096	Structure_Complexity	624
21859	Structure_Complexity	212
449107	Structure_Complexity	708
155259577	Molecular_Weight	512.4
116863532	Structure_Complexity	96.6
10844548	Structure_Complexity	77.7
11382	Structure_Complexity	480
71012	Isotope_Atom_Count	0
9867605	Molecular_Weight	435.2
70544	Tautomer_Count	4
21997268	Exact_Mass	534.36688732
626366	Isotope_Atom_Count	0
447213	Exact_Mass	151.099714038
11908488	TPSA	190
25130088	Mono_Isotopic_Weight	462.27432435
115366	Mono_Isotopic_Weight	419.0264073
138275	Structure_Complexity	138
11000	XLogP3	2.6
25007063	XLogP3-AA	4.2
17673	Hydrogen_Bond_Donor_Count	0
5144	Total_Formal_Charge	0
60196267	Undefined_Bond_Stereo_Count	0
84552	Non-hydrogen_Atom_Count	6
11839	Exact_Mass	343.78700
3636092	Structure_Complexity	205
4217966	Defined_Bond_Stereo_Count	0
119082985	Exact_Mass	96.068748264
5288382	Structure_Complexity	1150
52946966	Defined_Bond_Stereo_Count	0
14273	Exact_Mass	107.037113783
16678941	Hydrogen_Bond_Acceptor_Count	8
14416477	Hydrogen_Bond_Acceptor_Count	7
78160	Isotope_Atom_Count	0
57692074	Hydrogen_Bond_Acceptor_Count	7
22559336	Hydrogen_Bond_Donor_Count	0
90997437	Covalent_Unit_Count	1
14171936	Defined_Atom_Stereo_Count	0
124918602	Hydrogen_Bond_Acceptor_Count	6
9971	TPSA	63.3
5281888	Isotope_Atom_Count	0
18730043	TPSA	0
2724055	Structure_Complexity	232
9812759	TPSA	2
135431272	Mono_Isotopic_Weight	111.043261792
7081	Hydrogen_Bond_Donor_Count	2
20711973	Covalent_Unit_Count	1
246511	Molecular_Weight	271.35
54392998	Mono_Isotopic_Weight	117.078978594
19539	XLogP3	3.9
57751150	Molecular_Weight	113.11
11768891	Tautomer_Count	1
2595	Defined_Atom_Stereo_Count	0
123935295	Total_Formal_Charge	0
225564	TPSA	20.2
123215474	Hydrogen_Bond_Donor_Count	3
13587089	Hydrogen_Bond_Donor_Count	1
85456	Structure_Complexity	422
147305619	Undefined_Atom_Stereo_Count	3
23409	Hydrogen_Bond_Donor_Count	1
70211	Hydrogen_Bond_Donor_Count	0
138059742	Rotatable_Bond_Count	3
555192	Undefined_Atom_Stereo_Count	0
91599894	Defined_Atom_Stereo_Count	0
23677974	Hydrogen_Bond_Donor_Count	3
5518	Structure_Complexity	380
60960	Non-hydrogen_Atom_Count	8
44570629	Hydrogen_Bond_Acceptor_Count	9
87468122	Defined_Bond_Stereo_Count	0
40893	Hydrogen_Bond_Donor_Count	0
52947109	Mono_Isotopic_Weight	419.14567599
33134	Isotope_Atom_Count	0
90904309	Defined_Bond_Stereo_Count	0
10866300	Defined_Atom_Stereo_Count	0
23666830	Isotope_Atom_Count	0
53346581	Undefined_Atom_Stereo_Count	0
5282944	Total_Formal_Charge	0
123791702	Non-hydrogen_Atom_Count	7
634	Total_Formal_Charge	0
84420187	Defined_Bond_Stereo_Count	0
62477	Exact_Mass	130.099379685
62871	TPSA	61.3
443971	Mono_Isotopic_Weight	216.05108644
3095	Undefined_Bond_Stereo_Count	0
33097	Undefined_Bond_Stereo_Count	0
5323984	XLogP3-AA	1.1
130026605	Exact_Mass	94.041864811
37968	Undefined_Atom_Stereo_Count	0
139079008	Defined_Bond_Stereo_Count	0
323180	Mono_Isotopic_Weight	110.059246208
446998	Structure_Complexity	307
11508600	Hydrogen_Bond_Donor_Count	3
100927764	Structure_Complexity	438
64510	Total_Formal_Charge	0
34231	Isotope_Atom_Count	0
320410	Defined_Bond_Stereo_Count	0
58806287	Total_Formal_Charge	0
44318267	Covalent_Unit_Count	1
57750420	Covalent_Unit_Count	1
9889823	Undefined_Atom_Stereo_Count	0
12672	Undefined_Bond_Stereo_Count	0
198706	Hydrogen_Bond_Acceptor_Count	5
129866213	Molecular_Weight	500.5
152951	Hydrogen_Bond_Donor_Count	5
69826668	Undefined_Atom_Stereo_Count	0
313444	Non-hydrogen_Atom_Count	11
15732693	Defined_Atom_Stereo_Count	0
564527	Hydrogen_Bond_Donor_Count	0
11543205	Total_Formal_Charge	0
13037933	Exact_Mass	1201.84136802
5479141	Undefined_Bond_Stereo_Count	0
60196327	Covalent_Unit_Count	2
565623	Exact_Mass	336.26644501
11485	Undefined_Atom_Stereo_Count	0
5019	Total_Formal_Charge	0
5790	Undefined_Atom_Stereo_Count	0
525	Non-hydrogen_Atom_Count	9
65483	Total_Formal_Charge	0
68056645	XLogP3-AA	1.3
60196410	Exact_Mass	588.2463106
42614	Non-hydrogen_Atom_Count	14
6175	Isotope_Atom_Count	0
10309114	Hydrogen_Bond_Donor_Count	2
9555	Isotope_Atom_Count	0
86233	Total_Formal_Charge	0
398631	Hydrogen_Bond_Acceptor_Count	4
44445387	TPSA	79
606990	Defined_Atom_Stereo_Count	0
13092476	Hydrogen_Bond_Acceptor_Count	2
45358055	Mono_Isotopic_Weight	840.37930247
164826	Defined_Bond_Stereo_Count	0
18357	Defined_Bond_Stereo_Count	0
78490	Undefined_Bond_Stereo_Count	0
992	Rotatable_Bond_Count	0
115225	TPSA	32.3
21130160	Non-hydrogen_Atom_Count	8
160435	Hydrogen_Bond_Acceptor_Count	2
18140	Undefined_Bond_Stereo_Count	0
43834	Rotatable_Bond_Count	5
9548611	Defined_Atom_Stereo_Count	0
127036839	Structure_Complexity	304
78255	XLogP3-AA	6.9
21519587	Structure_Complexity	99
51030901	Exact_Mass	446.14265630
9874874	Exact_Mass	697.38259695
46490	TPSA	128
20475566	Exact_Mass	112.088815002
12576852	Rotatable_Bond_Count	1
9548720	Structure_Complexity	641
18530	Total_Formal_Charge	0
16441	Undefined_Atom_Stereo_Count	1
76168	Hydrogen_Bond_Donor_Count	0
11105318	Undefined_Bond_Stereo_Count	0
164006	Undefined_Atom_Stereo_Count	1
441358	Molecular_Weight	299.8
52948154	Total_Formal_Charge	0
757435	Rotatable_Bond_Count	5
20548476	Non-hydrogen_Atom_Count	7
99058	Undefined_Bond_Stereo_Count	0
12213229	Structure_Complexity	238
1153	TPSA	83.6
137553932	Mono_Isotopic_Weight	354.15646954
44134949	Defined_Atom_Stereo_Count	0
7058062	Structure_Complexity	128
7986	Total_Formal_Charge	0
11650986	Mono_Isotopic_Weight	1007.56062088
123359989	Defined_Bond_Stereo_Count	0
106824140	Molecular_Weight	115.13
139085145	Undefined_Bond_Stereo_Count	0
10257882	Mono_Isotopic_Weight	592.27194156
10075424	Mono_Isotopic_Weight	522.13378872
9885850	Exact_Mass	371.9538468
2724537	Defined_Bond_Stereo_Count	0
9609	Non-hydrogen_Atom_Count	5
5328791	TPSA	81.3
23247721	Covalent_Unit_Count	1
38014	Hydrogen_Bond_Donor_Count	0
2079	Non-hydrogen_Atom_Count	14
13856554	XLogP3-AA	0.8
56463	Covalent_Unit_Count	1
23279304	Mono_Isotopic_Weight	113.058911855
153675783	Hydrogen_Bond_Acceptor_Count	1
535545	Molecular_Weight	85.15
74867	Non-hydrogen_Atom_Count	17
76957024	Hydrogen_Bond_Acceptor_Count	4
57074	Non-hydrogen_Atom_Count	26
20488507	Defined_Bond_Stereo_Count	0
21139920	Defined_Atom_Stereo_Count	10
286	Undefined_Atom_Stereo_Count	0
66764517	Undefined_Bond_Stereo_Count	0
11234049	Undefined_Atom_Stereo_Count	0
65482	Undefined_Bond_Stereo_Count	0
10112	Covalent_Unit_Count	2
541660	XLogP3-AA	1.3
22952912	Hydrogen_Bond_Acceptor_Count	2
45357394	Undefined_Bond_Stereo_Count	0
10645	Defined_Atom_Stereo_Count	0
68135832	Undefined_Bond_Stereo_Count	0
9253	Structure_Complexity	11.6
83517	Tautomer_Count	1
71317118	XLogP3-AA	0.2
26470411	Total_Formal_Charge	0
7321	Total_Formal_Charge	0
536111	Hydrogen_Bond_Donor_Count	0
72221005	Exact_Mass	95.048347172
25127112	Defined_Bond_Stereo_Count	0
58265608	Mono_Isotopic_Weight	100.100048391
101796201	Defined_Bond_Stereo_Count	0
21792545	Hydrogen_Bond_Acceptor_Count	4
136892	TPSA	38.3
70484261	Undefined_Bond_Stereo_Count	0
429819	Undefined_Atom_Stereo_Count	0
6918314	Non-hydrogen_Atom_Count	33
101059324	Hydrogen_Bond_Donor_Count	0
873450	Non-hydrogen_Atom_Count	23
2981	Non-hydrogen_Atom_Count	16
430245	Isotope_Atom_Count	0
59504979	Structure_Complexity	138
71105	XLogP3-AA	1.9
83572	Non-hydrogen_Atom_Count	8
37392	Undefined_Atom_Stereo_Count	1
13027933	Undefined_Bond_Stereo_Count	0
7619	Covalent_Unit_Count	1
662	TPSA	107
11974	Exact_Mass	469.97760
101461666	Exact_Mass	330.03191198
584	Defined_Atom_Stereo_Count	0
713762	Hydrogen_Bond_Acceptor_Count	5
94910	Exact_Mass	226.0760574
139061105	Total_Formal_Charge	0
88670	Non-hydrogen_Atom_Count	13
7196	Tautomer_Count	1
17845829	Total_Formal_Charge	0
122433	Defined_Bond_Stereo_Count	0
9793926	Mono_Isotopic_Weight	166.082333429
59693921	Mono_Isotopic_Weight	111.043261792
122639	Rotatable_Bond_Count	33
19633	Rotatable_Bond_Count	6
13342	Non-hydrogen_Atom_Count	59
73093	Total_Formal_Charge	0
5780	Hydrogen_Bond_Donor_Count	6
94915	TPSA	60.9
208	TPSA	157
54765	Hydrogen_Bond_Acceptor_Count	6
542158	Exact_Mass	484.2128852
51397515	Structure_Complexity	1020
23667626	Hydrogen_Bond_Acceptor_Count	26
76538	Hydrogen_Bond_Donor_Count	0
8502	Structure_Complexity	193
93550	Defined_Atom_Stereo_Count	0
31211	XLogP3	0.8
118210659	Rotatable_Bond_Count	0
146681110	Molecular_Weight	1022.2
21595393	Covalent_Unit_Count	1
139588352	Exact_Mass	1314.32434128
30619	Undefined_Bond_Stereo_Count	0
21109	XLogP3-AA	1
7807	Hydrogen_Bond_Donor_Count	1
59481545	Total_Formal_Charge	0
292	Undefined_Atom_Stereo_Count	9
80873	Structure_Complexity	241
5484736	Undefined_Bond_Stereo_Count	0
87412180	Molecular_Weight	284.35
30999	Undefined_Bond_Stereo_Count	0
22833295	Undefined_Bond_Stereo_Count	0
46225290	Total_Formal_Charge	0
71449750	Structure_Complexity	726
131954782	Mono_Isotopic_Weight	1348.60159125
11396600	Isotope_Atom_Count	0
225711	Mono_Isotopic_Weight	102.068079557
561	Undefined_Bond_Stereo_Count	0
65595	Undefined_Bond_Stereo_Count	0
135528917	Exact_Mass	444.16966468
69462056	Non-hydrogen_Atom_Count	8
8076	Defined_Bond_Stereo_Count	0
9954539	Covalent_Unit_Count	2
5311217	Hydrogen_Bond_Donor_Count	1
46853632	Non-hydrogen_Atom_Count	34
23675081	Tautomer_Count	11
334447	Non-hydrogen_Atom_Count	16
68547	Hydrogen_Bond_Acceptor_Count	5
10333656	Undefined_Atom_Stereo_Count	0
6537493	Mono_Isotopic_Weight	867.49802062
102677	Exact_Mass	84.057514874
11817188	TPSA	20.2
46934729	Undefined_Atom_Stereo_Count	0
2318095	Hydrogen_Bond_Acceptor_Count	3
137704662	Mono_Isotopic_Weight	528.21078060
15129466	Molecular_Weight	114.19
38668	Tautomer_Count	3
70684819	Defined_Atom_Stereo_Count	0
88534608	Non-hydrogen_Atom_Count	8
452521	Rotatable_Bond_Count	10
21124335	Tautomer_Count	3
225674	Hydrogen_Bond_Donor_Count	1
104838	Mono_Isotopic_Weight	299.09397721
53316376	Hydrogen_Bond_Acceptor_Count	10
843179	Hydrogen_Bond_Acceptor_Count	4
400769	Hydrogen_Bond_Donor_Count	0
6438372	Defined_Bond_Stereo_Count	2
66354	Molecular_Weight	83.09
20207	Defined_Atom_Stereo_Count	0
6617	XLogP3-AA	1.8
290223	Mono_Isotopic_Weight	196.06703418
3365	Hydrogen_Bond_Acceptor_Count	7
57438703	Mono_Isotopic_Weight	115.99703987
71663312	Mono_Isotopic_Weight	540.1728319
31917	Non-hydrogen_Atom_Count	24
15820874	Rotatable_Bond_Count	4
11511	Non-hydrogen_Atom_Count	8
65341	Hydrogen_Bond_Donor_Count	1
164695	Non-hydrogen_Atom_Count	20
34055	Defined_Atom_Stereo_Count	0
1946	Undefined_Atom_Stereo_Count	0
596237	Covalent_Unit_Count	1
71215	Non-hydrogen_Atom_Count	25
11415	Molecular_Weight	282.90
5281607	Rotatable_Bond_Count	1
74325	XLogP3	1.3
12302695	Hydrogen_Bond_Donor_Count	8
129664338	Rotatable_Bond_Count	1
1305	Molecular_Weight	466.7
23663969	Tautomer_Count	152
82718176	Mono_Isotopic_Weight	116.083729621
47811	Non-hydrogen_Atom_Count	22
71219	Isotope_Atom_Count	0
123134537	Exact_Mass	898.1762920
124224929	Undefined_Atom_Stereo_Count	0
5702073	Non-hydrogen_Atom_Count	25
916113	Hydrogen_Bond_Acceptor_Count	4
165339	Isotope_Atom_Count	0
1548994	Non-hydrogen_Atom_Count	35
6419942	Tautomer_Count	1
607248	Exact_Mass	196.0015103
117715670	Defined_Bond_Stereo_Count	0
39859	Structure_Complexity	309
65106	Undefined_Atom_Stereo_Count	0
140291701	Total_Formal_Charge	0
7059	XLogP3	2.6
57401205	Mono_Isotopic_Weight	462.14607235
7451	Hydrogen_Bond_Acceptor_Count	2
527855	Isotope_Atom_Count	0
68616	Covalent_Unit_Count	1
6994977	Hydrogen_Bond_Donor_Count	3
18759	Covalent_Unit_Count	1
170295	Tautomer_Count	1
26651	Hydrogen_Bond_Donor_Count	7
9980241	Isotope_Atom_Count	0
10954241	Hydrogen_Bond_Acceptor_Count	6
197060	Defined_Atom_Stereo_Count	4
69676	Structure_Complexity	77
76497	Hydrogen_Bond_Donor_Count	2
27596	Defined_Bond_Stereo_Count	0
91284889	Exact_Mass	113.084063974
6918284	Non-hydrogen_Atom_Count	77
158366227	Defined_Bond_Stereo_Count	0
19437571	Exact_Mass	112.088815002
77213	TPSA	105
28754	Non-hydrogen_Atom_Count	31
11263727	Undefined_Bond_Stereo_Count	0
73895	Hydrogen_Bond_Acceptor_Count	3
6918013	Molecular_Weight	739.0
2815	Non-hydrogen_Atom_Count	20
66587064	Hydrogen_Bond_Donor_Count	2
8390	Isotope_Atom_Count	0
51	Covalent_Unit_Count	1
573612	Undefined_Atom_Stereo_Count	0
87592747	Total_Formal_Charge	0
108835	Defined_Bond_Stereo_Count	0
239	Structure_Complexity	52.8
13203	Hydrogen_Bond_Donor_Count	0
154437	Defined_Atom_Stereo_Count	0
44299	Defined_Bond_Stereo_Count	0
23925	Exact_Mass	55.934936
2786	Covalent_Unit_Count	1
12896	Exact_Mass	242.08037557
118578546	XLogP3-AA	0.1
13874664	Covalent_Unit_Count	1
135435111	Rotatable_Bond_Count	2
17559	TPSA	205
5459792	TPSA	101
3325225	Hydrogen_Bond_Acceptor_Count	8
33309	XLogP3	2.9
3898924	Mono_Isotopic_Weight	102.068079557
63979	Undefined_Bond_Stereo_Count	0
454844	Defined_Bond_Stereo_Count	0
10269854	TPSA	107
25072741	Molecular_Weight	431.4
2284259	Defined_Bond_Stereo_Count	0
53956489	Non-hydrogen_Atom_Count	7
6957644	Hydrogen_Bond_Acceptor_Count	6
13203950	Total_Formal_Charge	0
68652936	Hydrogen_Bond_Acceptor_Count	2
80308	TPSA	46.2
1289	Structure_Complexity	448
63985	Structure_Complexity	763
57391652	Hydrogen_Bond_Acceptor_Count	11
165339	Tautomer_Count	1
20187	TPSA	50.8
73413214	TPSA	29.5
9570071	Hydrogen_Bond_Donor_Count	1
22998467	Defined_Bond_Stereo_Count	0
1282	Covalent_Unit_Count	1
3000	Rotatable_Bond_Count	2
11397	Covalent_Unit_Count	1
3047822	Total_Formal_Charge	0
6603320	Non-hydrogen_Atom_Count	36
233979	Total_Formal_Charge	0
7146283	Rotatable_Bond_Count	4
57057513	Mono_Isotopic_Weight	112.052429494
14416018	Structure_Complexity	115
4382	Undefined_Atom_Stereo_Count	0
3000226	Mono_Isotopic_Weight	516.34508925
23652731	Non-hydrogen_Atom_Count	29
2684	Covalent_Unit_Count	1
25202592	Molecular_Weight	129.16
68260833	TPSA	9.2
26248	Total_Formal_Charge	0
145640699	Undefined_Atom_Stereo_Count	2
5460795	Hydrogen_Bond_Donor_Count	3
11535547	Mono_Isotopic_Weight	98.036779430
65793	TPSA	80.3
181978	Exact_Mass	378.13734088
5371578	Tautomer_Count	1
59864	Rotatable_Bond_Count	4
6014	Non-hydrogen_Atom_Count	21
79117667	Structure_Complexity	135
16837	Isotope_Atom_Count	0
75445	Molecular_Weight	477.7
48000	Rotatable_Bond_Count	16
13159184	Undefined_Atom_Stereo_Count	1
50516	Non-hydrogen_Atom_Count	35
137580	Rotatable_Bond_Count	1
81927	Hydrogen_Bond_Acceptor_Count	4
65872	Tautomer_Count	2
2628	Defined_Bond_Stereo_Count	0
24849134	Defined_Bond_Stereo_Count	0
216456	Undefined_Bond_Stereo_Count	0
229932	Mono_Isotopic_Weight	96.032362755
19879	Molecular_Weight	234.28
92666	Undefined_Bond_Stereo_Count	0
137076	XLogP3-AA	2
66199	Hydrogen_Bond_Donor_Count	0
13469816	Rotatable_Bond_Count	1
15619838	Hydrogen_Bond_Acceptor_Count	2
122241575	TPSA	54
182677	Exact_Mass	278.297351212
717505	Total_Formal_Charge	0
74106	XLogP3-AA	4.5
6918925	Undefined_Bond_Stereo_Count	0
46910592	Mono_Isotopic_Weight	658.22975722
6757	Covalent_Unit_Count	1
197127	TPSA	123
9984374	Isotope_Atom_Count	0
21997268	Isotope_Atom_Count	0
35802	Undefined_Bond_Stereo_Count	0
40428945	Undefined_Atom_Stereo_Count	0
12785	XLogP3	1.7
25079036	Tautomer_Count	996
3178	Molecular_Weight	443.5
138813	Molecular_Weight	96.13
29356	Undefined_Atom_Stereo_Count	0
1146	Undefined_Bond_Stereo_Count	0
54338696	Mono_Isotopic_Weight	90.0469501914
11640390	Covalent_Unit_Count	1
102239676	Non-hydrogen_Atom_Count	28
23543714	Mono_Isotopic_Weight	112.027277375
20141875	Hydrogen_Bond_Donor_Count	1
5087	Defined_Bond_Stereo_Count	0
57782	Structure_Complexity	390
135408658	Rotatable_Bond_Count	3
13562	Rotatable_Bond_Count	3
10654175	Covalent_Unit_Count	1
439156	Covalent_Unit_Count	1
687906	TPSA	69.6
129815925	Undefined_Atom_Stereo_Count	0
6454351	Covalent_Unit_Count	1
66087	Mono_Isotopic_Weight	108.99862027
16214946	XLogP3-AA	4.5
6593	Tautomer_Count	1
5284584	Isotope_Atom_Count	0
57255938	Non-hydrogen_Atom_Count	8
66130	Defined_Bond_Stereo_Count	0
8805	Covalent_Unit_Count	1
18509075	Undefined_Atom_Stereo_Count	0
67832	Hydrogen_Bond_Donor_Count	0
543885	Isotope_Atom_Count	0
5287468	Non-hydrogen_Atom_Count	37
69362	Exact_Mass	118.062994177
3830	Isotope_Atom_Count	0
87886	Undefined_Atom_Stereo_Count	1
80884	Hydrogen_Bond_Donor_Count	7
86209	Tautomer_Count	2
1582	Molecular_Weight	553.28
153655135	Isotope_Atom_Count	0
978766	Exact_Mass	429.05105
318158	Exact_Mass	112.052429494
29982856	Molecular_Weight	342.30
72786882	Undefined_Bond_Stereo_Count	0
14120104	Total_Formal_Charge	0
166796	Mono_Isotopic_Weight	414.03275590
3567233	TPSA	26
11137	Molecular_Weight	139.11
9297	Defined_Atom_Stereo_Count	0
91536	Covalent_Unit_Count	1
150748	Total_Formal_Charge	0
20067437	Molecular_Weight	113.11
25201948	Isotope_Atom_Count	0
117979204	Undefined_Atom_Stereo_Count	2
57856017	Exact_Mass	111.068413911
443604	Mono_Isotopic_Weight	493.32258015
23665706	Undefined_Bond_Stereo_Count	0
465951	Molecular_Weight	353.4
44320150	Tautomer_Count	16
14260	Isotope_Atom_Count	0
403647	Structure_Complexity	328
96338	TPSA	29.1
62956	Hydrogen_Bond_Acceptor_Count	5
154240696	Mono_Isotopic_Weight	99.079647300
16219567	Hydrogen_Bond_Donor_Count	8
102318232	Covalent_Unit_Count	1
447587	Total_Formal_Charge	0
54434340	Undefined_Atom_Stereo_Count	0
119032	Hydrogen_Bond_Acceptor_Count	7
289460	Hydrogen_Bond_Donor_Count	2
68674	Total_Formal_Charge	0
66576988	Rotatable_Bond_Count	8
73356	Hydrogen_Bond_Donor_Count	2
59221	Hydrogen_Bond_Acceptor_Count	1
1645	Hydrogen_Bond_Donor_Count	2
53260965	Exact_Mass	384.02483287
57888	Mono_Isotopic_Weight	356.20999276
41308	Rotatable_Bond_Count	2
153977505	Defined_Bond_Stereo_Count	0
2741000	Hydrogen_Bond_Acceptor_Count	2
23760141	Covalent_Unit_Count	1
194670	Exact_Mass	193.110278721
133613144	Defined_Atom_Stereo_Count	20
3002820	Hydrogen_Bond_Donor_Count	0
118360945	Defined_Atom_Stereo_Count	0
12602	Defined_Bond_Stereo_Count	0
1964	Non-hydrogen_Atom_Count	23
14643618	Molecular_Weight	114.14
6918026	Total_Formal_Charge	0
7518	Mono_Isotopic_Weight	109.052763847
67518639	Hydrogen_Bond_Acceptor_Count	6
129009603	Undefined_Bond_Stereo_Count	0
123217479	Hydrogen_Bond_Acceptor_Count	0
15951485	Undefined_Atom_Stereo_Count	1
3294	Molecular_Weight	241.24
164333	XLogP3-AA	1
64488	Undefined_Bond_Stereo_Count	0
19360868	Defined_Atom_Stereo_Count	0
8739	Undefined_Bond_Stereo_Count	0
118705497	Molecular_Weight	746.9
547676	Non-hydrogen_Atom_Count	7
17343	Exact_Mass	261.893590
77312	Hydrogen_Bond_Donor_Count	0
16662	XLogP3-AA	4.5
164167667	Molecular_Weight	113.11
7007	Structure_Complexity	219
70359	Rotatable_Bond_Count	3
7098617	Isotope_Atom_Count	0
153884978	XLogP3-AA	0.8
46861612	TPSA	54
81223	Defined_Atom_Stereo_Count	0
4120	XLogP3-AA	1.3
52943718	XLogP3-AA	3.6
94675	Molecular_Weight	262.23
98043896	Total_Formal_Charge	0
6432469	Tautomer_Count	3
69079	Covalent_Unit_Count	1
480785	Rotatable_Bond_Count	5
60	Exact_Mass	601.04750736
84733	Defined_Atom_Stereo_Count	0
131411054	Hydrogen_Bond_Acceptor_Count	1
10394740	Structure_Complexity	1150
758105	Hydrogen_Bond_Donor_Count	2
9843750	XLogP3-AA	1.3
640180	Defined_Atom_Stereo_Count	0
88977	Non-hydrogen_Atom_Count	23
9930049	Defined_Bond_Stereo_Count	0
5382	Tautomer_Count	1
74918	Non-hydrogen_Atom_Count	15
404513	Defined_Bond_Stereo_Count	0
5964319	TPSA	76
11550045	Total_Formal_Charge	0
134692189	Hydrogen_Bond_Donor_Count	3
232326	Undefined_Atom_Stereo_Count	0
5378597	Non-hydrogen_Atom_Count	33
639661	Exact_Mass	84.093900383
1966	Defined_Bond_Stereo_Count	0
53259022	XLogP3-AA	4.7
44129648	Rotatable_Bond_Count	6
7397	Undefined_Atom_Stereo_Count	0
3786	Molecular_Weight	233.29
3230	Defined_Bond_Stereo_Count	0
9898827	Structure_Complexity	144
11181	Exact_Mass	100.063662883
135398742	Rotatable_Bond_Count	8
60196384	Mono_Isotopic_Weight	283.07970
78373	Undefined_Atom_Stereo_Count	0
10461263	Undefined_Atom_Stereo_Count	1
5283742	Exact_Mass	416.32904526
135402338	Exact_Mass	267.06439116
15940571	Exact_Mass	489.27265258
13087266	Hydrogen_Bond_Acceptor_Count	1
59712821	Defined_Atom_Stereo_Count	0
86213522	Hydrogen_Bond_Acceptor_Count	0
63100	Mono_Isotopic_Weight	289.922361
86671471	Hydrogen_Bond_Donor_Count	2
54700	Rotatable_Bond_Count	9
20011	Mono_Isotopic_Weight	250.0752019
83859	Structure_Complexity	503
122672143	Molecular_Weight	112.17
5318386	Hydrogen_Bond_Donor_Count	1
6604334	Defined_Atom_Stereo_Count	19
619446	Exact_Mass	278.11583301
161111	Exact_Mass	307.21811509
9808828	Hydrogen_Bond_Acceptor_Count	5
71587637	Structure_Complexity	450
67258371	Defined_Atom_Stereo_Count	0
12477	Total_Formal_Charge	0
21252133	Molecular_Weight	114.19
445638	TPSA	37.3
14453670	Rotatable_Bond_Count	1
25185	Total_Formal_Charge	0
6326719	Defined_Atom_Stereo_Count	5
71355988	Isotope_Atom_Count	0
17779928	Hydrogen_Bond_Acceptor_Count	0
12233709	Hydrogen_Bond_Donor_Count	0
13436	Exact_Mass	218.02239267
14470	Defined_Bond_Stereo_Count	0
57174031	Exact_Mass	284.152477885
66876120	Hydrogen_Bond_Acceptor_Count	2
65786	TPSA	58.6
91175918	Structure_Complexity	114
398637	Isotope_Atom_Count	0
24757924	Undefined_Bond_Stereo_Count	0
3052776	Hydrogen_Bond_Donor_Count	1
10900	Hydrogen_Bond_Donor_Count	0
135413552	TPSA	33.6
14416612	Non-hydrogen_Atom_Count	8
12835187	XLogP3-AA	0.2
22591521	Isotope_Atom_Count	0
4678317	Undefined_Atom_Stereo_Count	0
56842327	Isotope_Atom_Count	0
23269081	Exact_Mass	108.093900383
37459	TPSA	23.5
135802074	Molecular_Weight	601.6
13367	Defined_Atom_Stereo_Count	0
33733	Undefined_Atom_Stereo_Count	0
141350568	Total_Formal_Charge	0
25210	Total_Formal_Charge	0
688311	Molecular_Weight	245.04
13884	Total_Formal_Charge	0
54133029	Defined_Atom_Stereo_Count	0
4019563	TPSA	197
71035	Non-hydrogen_Atom_Count	18
11153672	Covalent_Unit_Count	1
720561	Structure_Complexity	183
62705686	Isotope_Atom_Count	0
643786	Hydrogen_Bond_Donor_Count	0
55289794	Defined_Bond_Stereo_Count	0
834999	Hydrogen_Bond_Acceptor_Count	6
53361968	Isotope_Atom_Count	0
44251266	Undefined_Bond_Stereo_Count	0
78406	Non-hydrogen_Atom_Count	21
98047	Non-hydrogen_Atom_Count	11
57470525	Total_Formal_Charge	0
594397	XLogP3-AA	1.6
87689	Defined_Bond_Stereo_Count	0
284980	Exact_Mass	217.9901349
778602	Total_Formal_Charge	0
115260	Total_Formal_Charge	0
8437	Covalent_Unit_Count	1
71887	Exact_Mass	248.12732577
64143	XLogP3-AA	5.7
11241881	Undefined_Bond_Stereo_Count	0
10898675	Covalent_Unit_Count	1
91668194	Molecular_Weight	415.4
12244237	Exact_Mass	77.97755048
164912	Defined_Bond_Stereo_Count	0
951	Isotope_Atom_Count	0
446308	TPSA	36.9
2734250	TPSA	74.4
26068	Molecular_Weight	156.26
450598	Defined_Atom_Stereo_Count	0
7239	Rotatable_Bond_Count	0
6824	Hydrogen_Bond_Donor_Count	1
152119	Covalent_Unit_Count	1
23723027	Undefined_Bond_Stereo_Count	0
9950891	Undefined_Bond_Stereo_Count	0
71221	Undefined_Bond_Stereo_Count	0
185792	Hydrogen_Bond_Acceptor_Count	1
56972049	Hydrogen_Bond_Donor_Count	3
5321765	Exact_Mass	338.15180918
1235	Undefined_Bond_Stereo_Count	0
163698895	XLogP3-AA	0
5978	XLogP3	2.8
9821174	Defined_Atom_Stereo_Count	2
7142	Undefined_Atom_Stereo_Count	0
123190012	Exact_Mass	94.078250319
98930	Hydrogen_Bond_Acceptor_Count	2
149434	Covalent_Unit_Count	1
7182	Defined_Atom_Stereo_Count	0
10799	Mono_Isotopic_Weight	348.066641
23674	Defined_Bond_Stereo_Count	0
2582	Rotatable_Bond_Count	5
104881	Total_Formal_Charge	0
7959	Defined_Bond_Stereo_Count	0
21906940	Covalent_Unit_Count	1
124202844	Non-hydrogen_Atom_Count	32
8494	Covalent_Unit_Count	1
47320	Molecular_Weight	1243.5
9906	Rotatable_Bond_Count	0
6733	Mono_Isotopic_Weight	230.094294304
18198	Mono_Isotopic_Weight	114.068079557
5484444	Defined_Bond_Stereo_Count	0
3029326	Isotope_Atom_Count	0
9940864	Hydrogen_Bond_Acceptor_Count	17
46936680	Isotope_Atom_Count	0
6437358	Structure_Complexity	1210
23714994	Defined_Bond_Stereo_Count	1
134250232	XLogP3-AA	0.6
22613925	Isotope_Atom_Count	0
445258	XLogP3	2.3
86632359	Undefined_Atom_Stereo_Count	1
37020	Undefined_Bond_Stereo_Count	0
19979685	Molecular_Weight	112.13
117846599	Hydrogen_Bond_Acceptor_Count	11
10358218	Hydrogen_Bond_Donor_Count	3
151318	Hydrogen_Bond_Acceptor_Count	3
888374	Hydrogen_Bond_Donor_Count	0
91528	Tautomer_Count	10
243415	Defined_Atom_Stereo_Count	0
123704723	Rotatable_Bond_Count	1
63036	Defined_Atom_Stereo_Count	7
70763	Exact_Mass	142.135765193
25132069	Non-hydrogen_Atom_Count	26
8207	TPSA	20.2
11060	Rotatable_Bond_Count	9
5360516	Hydrogen_Bond_Acceptor_Count	5
2904	Mono_Isotopic_Weight	379.0427261
21638785	Mono_Isotopic_Weight	263.0825398
31203	Structure_Complexity	291
13359	TPSA	53.3
42051894	Non-hydrogen_Atom_Count	23
9567831	Hydrogen_Bond_Donor_Count	3
858	TPSA	29.6
12326432	Covalent_Unit_Count	1
92247	Exact_Mass	368.401816278
54706667	Exact_Mass	203.03443370
12847949	Tautomer_Count	2
2098	Defined_Atom_Stereo_Count	0
449619	TPSA	64.9
581383	Hydrogen_Bond_Donor_Count	0
217048	Undefined_Atom_Stereo_Count	0
65019	Hydrogen_Bond_Acceptor_Count	2
7165	Structure_Complexity	126
2567	Mono_Isotopic_Weight	339.007053
1139	Undefined_Atom_Stereo_Count	3
95070	Covalent_Unit_Count	1
23554324	Exact_Mass	103.063328530
33251	Defined_Bond_Stereo_Count	0
11542782	Isotope_Atom_Count	0
124762103	Non-hydrogen_Atom_Count	23
40146	Exact_Mass	240.126263138
60148207	Mono_Isotopic_Weight	734.2492203
158698	Defined_Bond_Stereo_Count	0
132277953	Non-hydrogen_Atom_Count	20
72790	Defined_Bond_Stereo_Count	0
5772	Non-hydrogen_Atom_Count	73
21703153	Covalent_Unit_Count	1
5360516	XLogP3	2.9
2844	Molecular_Weight	612.7
20739	Non-hydrogen_Atom_Count	10
11408688	Structure_Complexity	559
11170991	Structure_Complexity	129
3035842	Non-hydrogen_Atom_Count	12
138440	Rotatable_Bond_Count	2
13112141	Rotatable_Bond_Count	0
3000469	Undefined_Bond_Stereo_Count	0
14026391	Hydrogen_Bond_Donor_Count	0
7355	XLogP3-AA	1.9
71795	Mono_Isotopic_Weight	324.183778013
76783	Mono_Isotopic_Weight	626.53078201
56683653	Undefined_Bond_Stereo_Count	0
16124208	Total_Formal_Charge	0
533909	Undefined_Atom_Stereo_Count	0
213049	Molecular_Weight	465.4
14679813	Structure_Complexity	1040
4722579	XLogP3-AA	3
54077736	Defined_Atom_Stereo_Count	0
18241	Undefined_Bond_Stereo_Count	0
41478	Exact_Mass	406.04637137
5485201	Rotatable_Bond_Count	2
46926544	Undefined_Atom_Stereo_Count	0
163436244	Undefined_Bond_Stereo_Count	1
535722	XLogP3-AA	0.9
46174453	Undefined_Atom_Stereo_Count	0
75195	Total_Formal_Charge	0
139194519	Non-hydrogen_Atom_Count	32
7532	Covalent_Unit_Count	1
58093	Defined_Bond_Stereo_Count	0
737804	Defined_Bond_Stereo_Count	0
15566624	Hydrogen_Bond_Donor_Count	1
54266316	Rotatable_Bond_Count	2
11029779	Defined_Bond_Stereo_Count	0
11775	Isotope_Atom_Count	0
60209583	Exact_Mass	380.17360725
10118014	Hydrogen_Bond_Donor_Count	2
23666409	TPSA	204
17907809	Defined_Bond_Stereo_Count	0
83295	Structure_Complexity	375
12406682	Hydrogen_Bond_Acceptor_Count	1
41721	Covalent_Unit_Count	2
25162926	Undefined_Atom_Stereo_Count	0
442632	Undefined_Atom_Stereo_Count	0
30552	Defined_Atom_Stereo_Count	3
87821824	Exact_Mass	118.062994177
71583494	Defined_Bond_Stereo_Count	0
139612467	Exact_Mass	100.063662883
791998	Exact_Mass	322.168127949
60668	Rotatable_Bond_Count	7
2734445	Non-hydrogen_Atom_Count	10
774262	Undefined_Bond_Stereo_Count	0
23666879	Hydrogen_Bond_Donor_Count	2
57409556	Defined_Atom_Stereo_Count	3
10953456	Defined_Atom_Stereo_Count	0
17751002	Defined_Atom_Stereo_Count	3
571	Mono_Isotopic_Weight	307.09120050
5106600	Structure_Complexity	103
27982	Hydrogen_Bond_Acceptor_Count	3
20041	Defined_Atom_Stereo_Count	0
88211	Molecular_Weight	92.16
40467849	Defined_Bond_Stereo_Count	0
2802	Defined_Atom_Stereo_Count	0
45788558	Rotatable_Bond_Count	0
13469007	Mono_Isotopic_Weight	115.026943022
7259	Structure_Complexity	90.6
11550045	Undefined_Atom_Stereo_Count	1
81601	Covalent_Unit_Count	2
441174	XLogP3-AA	2.4
10920451	Total_Formal_Charge	0
53442201	XLogP3-AA	2.6
443878	TPSA	139
10379137	Rotatable_Bond_Count	5
30337	Exact_Mass	230.11542367
70723	Hydrogen_Bond_Acceptor_Count	1
91037	Total_Formal_Charge	0
10335364	Undefined_Atom_Stereo_Count	0
10197650	Structure_Complexity	11.1
5977	Total_Formal_Charge	0
12035	XLogP3	0.4
12021	Molecular_Weight	90.08
34591	Undefined_Atom_Stereo_Count	0
104794	Isotope_Atom_Count	0
51935	Isotope_Atom_Count	0
153856780	Undefined_Atom_Stereo_Count	0
44195571	Total_Formal_Charge	0
14768	Structure_Complexity	26.3
2583694	Isotope_Atom_Count	0
12018	XLogP3-AA	0.8
5978	TPSA	171
142106	Structure_Complexity	124
10575614	Molecular_Weight	452.5
24827	Rotatable_Bond_Count	4
23960	Defined_Bond_Stereo_Count	0
71545	Isotope_Atom_Count	0
118701016	Rotatable_Bond_Count	26
59122	Undefined_Atom_Stereo_Count	0
7662	Mono_Isotopic_Weight	206.130679813
17825297	Total_Formal_Charge	0
6438895	Isotope_Atom_Count	0
16835	Isotope_Atom_Count	0
30387	Total_Formal_Charge	0
19846	Structure_Complexity	52.5
8067	Hydrogen_Bond_Acceptor_Count	1
135903069	Mono_Isotopic_Weight	891.01310344
6893	Molecular_Weight	121.18
2774635	Tautomer_Count	1
4237	Rotatable_Bond_Count	6
91029	Total_Formal_Charge	0
6918496	Hydrogen_Bond_Acceptor_Count	3
53670643	Exact_Mass	114.042927438
692643	Total_Formal_Charge	0
13185	Mono_Isotopic_Weight	258.18310931
189821	Defined_Bond_Stereo_Count	0
6476333	Tautomer_Count	288
37545	Undefined_Bond_Stereo_Count	0
5948958	Hydrogen_Bond_Donor_Count	1
7702	TPSA	9.2
129446563	Covalent_Unit_Count	1
140568	Covalent_Unit_Count	1
755373	Molecular_Weight	276.29
25094903	Hydrogen_Bond_Donor_Count	3
6115	Isotope_Atom_Count	0
6435207	XLogP3-AA	1.3
102515495	Molecular_Weight	300.37
22020033	Structure_Complexity	137
61916	Covalent_Unit_Count	1
543587	Rotatable_Bond_Count	12
46934729	Hydrogen_Bond_Acceptor_Count	2
22628836	XLogP3-AA	0.3
154825555	Undefined_Atom_Stereo_Count	1
10240797	TPSA	32.8
10332398	Defined_Atom_Stereo_Count	0
73759809	XLogP3-AA	5.9
280526	Defined_Atom_Stereo_Count	0
20205172	Exact_Mass	118.099379685
22137184	XLogP3-AA	1
77050446	Undefined_Atom_Stereo_Count	0
37864	Total_Formal_Charge	0
135398654	Hydrogen_Bond_Acceptor_Count	6
322	Non-hydrogen_Atom_Count	12
96335	Defined_Atom_Stereo_Count	0
9639	Hydrogen_Bond_Donor_Count	0
1488	Covalent_Unit_Count	1
64421	Defined_Bond_Stereo_Count	0
53943526	Exact_Mass	99.032028402
86289378	Isotope_Atom_Count	0
79043	Undefined_Bond_Stereo_Count	0
59295994	Undefined_Bond_Stereo_Count	0
7179	Defined_Atom_Stereo_Count	0
130128865	Defined_Bond_Stereo_Count	0
7665	XLogP3-AA	2.8
348256	Isotope_Atom_Count	0
5077	Defined_Bond_Stereo_Count	0
56673550	Total_Formal_Charge	0
96033	Defined_Atom_Stereo_Count	0
5904	Structure_Complexity	530
164106781	Non-hydrogen_Atom_Count	8
24913	Tautomer_Count	1
2822	Undefined_Bond_Stereo_Count	0
6843	Molecular_Weight	294.39
179338	Isotope_Atom_Count	0
5460853	Undefined_Atom_Stereo_Count	0
6469	Undefined_Bond_Stereo_Count	0
56987624	XLogP3-AA	0.4
107767	Mono_Isotopic_Weight	666.44718533
156212	Exact_Mass	310.930761
15723	Structure_Complexity	268
6114	Non-hydrogen_Atom_Count	12
20299950	Molecular_Weight	114.17
71533242	Total_Formal_Charge	0
15208461	XLogP3-AA	0.1
6567	Rotatable_Bond_Count	1
456204	XLogP3-AA	1.9
101992406	XLogP3-AA	1.2
3355	Hydrogen_Bond_Acceptor_Count	10
140143509	Defined_Bond_Stereo_Count	0
13538	Isotope_Atom_Count	0
54	Hydrogen_Bond_Donor_Count	9
16120191	Rotatable_Bond_Count	3
76988	Hydrogen_Bond_Acceptor_Count	1
6433107	Isotope_Atom_Count	0
72955	Exact_Mass	642.21598512
135398733	Covalent_Unit_Count	1
123634	Defined_Atom_Stereo_Count	17
423792	Structure_Complexity	479
18764599	XLogP3-AA	0.2
45926185	Exact_Mass	345.07093309
135458645	Defined_Bond_Stereo_Count	0
14231	TPSA	40.5
19660	XLogP3-AA	1.2
2735122	Tautomer_Count	1
384	Total_Formal_Charge	0
44319	Hydrogen_Bond_Acceptor_Count	1
52944459	Molecular_Weight	381.4
9549179	Isotope_Atom_Count	0
54587226	TPSA	99.4
12021	Non-hydrogen_Atom_Count	6
12303424	TPSA	58.6
123816919	Exact_Mass	108.093900383
13593931	Defined_Bond_Stereo_Count	0
6478	XLogP3	5
62453	Rotatable_Bond_Count	1
27112	TPSA	89.7
91996283	Covalent_Unit_Count	3
45086592	Mono_Isotopic_Weight	133.07389321
968951	Defined_Atom_Stereo_Count	0
58485	Exact_Mass	198.09391764
5366925	Mono_Isotopic_Weight	188.9748192
69370	Isotope_Atom_Count	0
556035	Undefined_Atom_Stereo_Count	2
23674098	Non-hydrogen_Atom_Count	28
23277877	Total_Formal_Charge	0
30692	Exact_Mass	237.96931172
84759	Mono_Isotopic_Weight	145.063997236
71449988	Undefined_Bond_Stereo_Count	0
13034799	Exact_Mass	98.048012819
91276	Molecular_Weight	306.4
3085218	Non-hydrogen_Atom_Count	20
83478501	Exact_Mass	101.084063974
11256720	Total_Formal_Charge	0
91027156	Non-hydrogen_Atom_Count	8
53325875	Mono_Isotopic_Weight	412.0606145
3035440	Mono_Isotopic_Weight	308.16574516
9352	Undefined_Bond_Stereo_Count	0
12085	Molecular_Weight	248.02
15054176	Undefined_Atom_Stereo_Count	0
55466	Structure_Complexity	631
6871216	Defined_Atom_Stereo_Count	0
2734231	Rotatable_Bond_Count	15
182429	Total_Formal_Charge	0
61199	Total_Formal_Charge	0
22491623	Molecular_Weight	95.10
2762874	Undefined_Atom_Stereo_Count	0
1078	Tautomer_Count	3
21702741	Total_Formal_Charge	0
11789186	Exact_Mass	118.062994177
23683938	Exact_Mass	198.01403222
27866	Defined_Bond_Stereo_Count	0
4642	Mono_Isotopic_Weight	344.20999276
88261	Defined_Bond_Stereo_Count	0
85760873	XLogP3-AA	2.2
8084	Structure_Complexity	51.9
13184	Covalent_Unit_Count	1
439186	Isotope_Atom_Count	0
454647	Defined_Bond_Stereo_Count	0
17736	Structure_Complexity	184
6002	Defined_Atom_Stereo_Count	0
69362	Molecular_Weight	118.13
9109	Covalent_Unit_Count	1
57504473	Undefined_Atom_Stereo_Count	1
124226575	Undefined_Atom_Stereo_Count	0
31621	Non-hydrogen_Atom_Count	22
74361	Rotatable_Bond_Count	5
14020446	Exact_Mass	114.068079557
65923	Hydrogen_Bond_Donor_Count	0
54149606	Defined_Bond_Stereo_Count	0
24848271	XLogP3-AA	3.7
135403648	Covalent_Unit_Count	1
10964479	Defined_Bond_Stereo_Count	0
23092834	XLogP3-AA	1.5
57392610	Undefined_Atom_Stereo_Count	0
16134408	Non-hydrogen_Atom_Count	140
18622372	Undefined_Bond_Stereo_Count	0
152	Non-hydrogen_Atom_Count	18
91575456	Non-hydrogen_Atom_Count	7
72014	XLogP3	0.9
77829	Total_Formal_Charge	0
5918	Isotope_Atom_Count	0
6371	Hydrogen_Bond_Acceptor_Count	1
7311724	Defined_Atom_Stereo_Count	1
10430619	Undefined_Bond_Stereo_Count	0
31298	Exact_Mass	190.0161736
131724228	Non-hydrogen_Atom_Count	92
25380	Undefined_Bond_Stereo_Count	0
2713	Hydrogen_Bond_Acceptor_Count	2
82161	Isotope_Atom_Count	0
6327350	Rotatable_Bond_Count	4
7529	Undefined_Bond_Stereo_Count	0
14724482	Structure_Complexity	2720
5497195	Hydrogen_Bond_Donor_Count	5
11693896	Covalent_Unit_Count	1
138564	Undefined_Bond_Stereo_Count	0
7088	Tautomer_Count	1
2327	Non-hydrogen_Atom_Count	18
60196343	Non-hydrogen_Atom_Count	46
80296024	Structure_Complexity	136
12303662	Defined_Bond_Stereo_Count	0
448055	Defined_Bond_Stereo_Count	0
27689	Isotope_Atom_Count	0
30668	Structure_Complexity	263
11531537	Exact_Mass	404.26750763
5971	Structure_Complexity	81.5
17354	TPSA	52
124389585	Covalent_Unit_Count	1
25199597	TPSA	94.9
135977933	Undefined_Bond_Stereo_Count	0
71526	Tautomer_Count	1
524894	Defined_Bond_Stereo_Count	0
7756	Covalent_Unit_Count	1
638793	Exact_Mass	1181.57302551
12218432	Hydrogen_Bond_Donor_Count	1
166	Total_Formal_Charge	0
153722581	TPSA	76.2
11851	Undefined_Atom_Stereo_Count	0
39521	Molecular_Weight	249.31
123335274	Defined_Bond_Stereo_Count	0
5081356	Mono_Isotopic_Weight	534.95758307
2812	Rotatable_Bond_Count	4
23724965	TPSA	136
73608879	Undefined_Bond_Stereo_Count	0
116021439	Non-hydrogen_Atom_Count	8
44629654	Mono_Isotopic_Weight	220.170139325
512984	Hydrogen_Bond_Acceptor_Count	5
568084	Defined_Atom_Stereo_Count	0
5794	Mono_Isotopic_Weight	338.20932405
77342	Defined_Bond_Stereo_Count	0
521947	Hydrogen_Bond_Donor_Count	0
52945794	Undefined_Bond_Stereo_Count	1
91711338	Defined_Atom_Stereo_Count	6
25058126	Hydrogen_Bond_Donor_Count	5
2450	Covalent_Unit_Count	1
142107	TPSA	20.2
5288173	Exact_Mass	327.256214676
117217480	Defined_Bond_Stereo_Count	0
91497276	Hydrogen_Bond_Donor_Count	0
145712239	TPSA	304
53262012	Covalent_Unit_Count	1
54041	Exact_Mass	276.183778013
13394149	Hydrogen_Bond_Acceptor_Count	8
154101	Isotope_Atom_Count	0
1470715	XLogP3-AA	1.9
6918427	Tautomer_Count	10
219601	Undefined_Atom_Stereo_Count	1
21802862	Exact_Mass	114.042927438
130028324	TPSA	61.1
64966	Undefined_Bond_Stereo_Count	0
12578544	Exact_Mass	117.078978594
657014	Structure_Complexity	185
11747547	Defined_Bond_Stereo_Count	0
13184	Structure_Complexity	52.9
5281107	Tautomer_Count	1
4460503	Mono_Isotopic_Weight	285.96058025
3955599	Exact_Mass	124.99085481
154474487	Total_Formal_Charge	0
60196393	Covalent_Unit_Count	2
5838	Rotatable_Bond_Count	2
643587	Defined_Bond_Stereo_Count	0
6546	Defined_Bond_Stereo_Count	0
5284580	Undefined_Atom_Stereo_Count	1
12306254	Non-hydrogen_Atom_Count	7
19802062	Defined_Bond_Stereo_Count	0
15062870	TPSA	41.1
4581	Structure_Complexity	111
11560610	Non-hydrogen_Atom_Count	31
70715	Hydrogen_Bond_Donor_Count	1
10678200	Non-hydrogen_Atom_Count	8
9793707	Rotatable_Bond_Count	0
682529	Defined_Atom_Stereo_Count	0
69286	Undefined_Atom_Stereo_Count	0
69253	Structure_Complexity	133
4068533	Exact_Mass	94.00307362
20250	Non-hydrogen_Atom_Count	12
68321815	Isotope_Atom_Count	0
97006	Hydrogen_Bond_Acceptor_Count	3
9270	Tautomer_Count	1
29327	Isotope_Atom_Count	0
205586	Covalent_Unit_Count	1
4191617	Rotatable_Bond_Count	0
107681	Hydrogen_Bond_Acceptor_Count	8
5329056	XLogP3-AA	4.9
973938	XLogP3-AA	2
72913	Mono_Isotopic_Weight	118.053098200
129858712	Defined_Bond_Stereo_Count	0
147246033	Defined_Atom_Stereo_Count	0
84361	Exact_Mass	308.11160159
11584	Mono_Isotopic_Weight	100.052429494
5481119	Undefined_Atom_Stereo_Count	0
53346577	Rotatable_Bond_Count	2
5224	TPSA	214
54378536	TPSA	0
4577573	Hydrogen_Bond_Acceptor_Count	5
22715624	Mono_Isotopic_Weight	84.057514874
705467	TPSA	49.8
70723	Isotope_Atom_Count	0
10284	Total_Formal_Charge	0
194383	Isotope_Atom_Count	0
12444627	Defined_Bond_Stereo_Count	1
196989	Undefined_Bond_Stereo_Count	0
5485201	Total_Formal_Charge	0
10246085	Hydrogen_Bond_Acceptor_Count	3
14200416	Defined_Bond_Stereo_Count	0
1596	Total_Formal_Charge	0
33874	Covalent_Unit_Count	1
4140	Covalent_Unit_Count	1
9604	Exact_Mass	129.9985560
57077346	Isotope_Atom_Count	0
9862	Exact_Mass	126.104465066
95578	Isotope_Atom_Count	0
18442762	Defined_Atom_Stereo_Count	0
10401972	Undefined_Atom_Stereo_Count	0
54276448	Defined_Atom_Stereo_Count	0
85838693	Undefined_Bond_Stereo_Count	0
10909502	Covalent_Unit_Count	1
912	Non-hydrogen_Atom_Count	9
11578	Defined_Bond_Stereo_Count	0
84075989	Non-hydrogen_Atom_Count	8
3372845	Covalent_Unit_Count	1
72728884	Undefined_Bond_Stereo_Count	1
73759759	Molecular_Weight	909.1
21932259	Structure_Complexity	467
92333	Undefined_Bond_Stereo_Count	0
69663	TPSA	26
59018485	Total_Formal_Charge	0
2484	TPSA	3.2
13795010	Covalent_Unit_Count	1
11584	Defined_Atom_Stereo_Count	0
101094784	TPSA	69.7
12654348	Mono_Isotopic_Weight	113.058911855
71452602	Isotope_Atom_Count	0
200424	Defined_Atom_Stereo_Count	0
221071	Isotope_Atom_Count	0
2882	Isotope_Atom_Count	0
33643	Undefined_Bond_Stereo_Count	0
5463153	Hydrogen_Bond_Donor_Count	0
21190979	Rotatable_Bond_Count	3
4452	Hydrogen_Bond_Donor_Count	2
20849107	Rotatable_Bond_Count	11
10473	Molecular_Weight	81.54
9915039	Exact_Mass	532.1796670
10001337	Undefined_Atom_Stereo_Count	0
67296898	Exact_Mass	114.068079557
629392	Undefined_Atom_Stereo_Count	0
101063142	Undefined_Atom_Stereo_Count	0
20141875	Non-hydrogen_Atom_Count	7
135440068	Hydrogen_Bond_Acceptor_Count	6
181	Total_Formal_Charge	0
436497	Hydrogen_Bond_Acceptor_Count	3
21136198	TPSA	18.5
123642	Undefined_Atom_Stereo_Count	2
24458	Defined_Atom_Stereo_Count	0
5311333	Defined_Atom_Stereo_Count	33
87112	Exact_Mass	174.031694049
18626412	Structure_Complexity	63.1
10071747	Non-hydrogen_Atom_Count	31
49857672	XLogP3-AA	3
46934730	Mono_Isotopic_Weight	265.09635999
656628	Defined_Atom_Stereo_Count	1
65429	Hydrogen_Bond_Acceptor_Count	7
53145	Non-hydrogen_Atom_Count	6
55874	TPSA	119
2071	Molecular_Weight	221.21
4423	Total_Formal_Charge	0
2833	Exact_Mass	399.16818752
54225123	Defined_Bond_Stereo_Count	0
1683	Tautomer_Count	1
712967	Structure_Complexity	444
9903291	Molecular_Weight	259.31
193720	Defined_Atom_Stereo_Count	0
57734486	Exact_Mass	357.14841808
18622377	Defined_Bond_Stereo_Count	0
149784	XLogP3	2.6
55287187	Covalent_Unit_Count	1
66073187	Hydrogen_Bond_Acceptor_Count	2
68845	Rotatable_Bond_Count	5
19935251	Exact_Mass	97.063997236
133520	Hydrogen_Bond_Donor_Count	2
95479940	Total_Formal_Charge	0
137685	Molecular_Weight	112.17
30175	Hydrogen_Bond_Donor_Count	0
12206	Defined_Bond_Stereo_Count	0
62343	Exact_Mass	170.130679813
446157	Hydrogen_Bond_Donor_Count	3
17806	Exact_Mass	294.25319498
138375814	Isotope_Atom_Count	0
10303	Covalent_Unit_Count	1
161588	Total_Formal_Charge	0
14222	Molecular_Weight	185.35
51629	Mono_Isotopic_Weight	408.1716891
2418	Isotope_Atom_Count	0
688145	Defined_Atom_Stereo_Count	0
27903	Total_Formal_Charge	0
24437	Defined_Atom_Stereo_Count	0
98177686	Hydrogen_Bond_Donor_Count	1
10901	Hydrogen_Bond_Donor_Count	1
82464	Isotope_Atom_Count	0
135491728	Isotope_Atom_Count	0
9883029	Exact_Mass	307.132076794
21353681	Isotope_Atom_Count	0
67367781	Molecular_Weight	442.5
6862	Exact_Mass	186.068079557
10351178	Isotope_Atom_Count	0
69571381	Exact_Mass	114.031694049
16058629	Mono_Isotopic_Weight	414.96223
16059	Defined_Bond_Stereo_Count	0
13437377	Undefined_Atom_Stereo_Count	1
12882458	Covalent_Unit_Count	1
84106846	XLogP3-AA	1.8
2762816	Hydrogen_Bond_Donor_Count	1
43558819	Mono_Isotopic_Weight	113.047678466
70967	Non-hydrogen_Atom_Count	11
20054848	Isotope_Atom_Count	0
5288382	Hydrogen_Bond_Acceptor_Count	9
58506875	Structure_Complexity	414
5496540	Molecular_Weight	1425.5
23111554	Rotatable_Bond_Count	4
11719190	Undefined_Atom_Stereo_Count	0
21093784	XLogP3-AA	2.7
33934	Hydrogen_Bond_Donor_Count	0
25015463	Structure_Complexity	801
6918284	Structure_Complexity	2080
40854	Molecular_Weight	315.3
9104	Total_Formal_Charge	0
4181	Defined_Atom_Stereo_Count	0
123134032	Undefined_Bond_Stereo_Count	0
3548422	Undefined_Atom_Stereo_Count	0
11446301	XLogP3-AA	0
86309268	Hydrogen_Bond_Acceptor_Count	7
72200672	Mono_Isotopic_Weight	491.02763
267	Isotope_Atom_Count	0
154269	Covalent_Unit_Count	1
141053308	Molecular_Weight	100.12
94906	Exact_Mass	159.068413911
22995366	Rotatable_Bond_Count	2
14464337	TPSA	213
49867325	Undefined_Atom_Stereo_Count	0
444853	Mono_Isotopic_Weight	460.20971797
591	Structure_Complexity	1570
75412563	Mono_Isotopic_Weight	433.71509
8419	Hydrogen_Bond_Acceptor_Count	3
70435	Structure_Complexity	8
70267	Exact_Mass	123.068413911
69803	Rotatable_Bond_Count	4
12268621	Defined_Bond_Stereo_Count	0
1550846	Non-hydrogen_Atom_Count	10
27934	Defined_Bond_Stereo_Count	0
44395101	Mono_Isotopic_Weight	480.21614077
11320921	Non-hydrogen_Atom_Count	8
63419	Covalent_Unit_Count	1
86367	Mono_Isotopic_Weight	225.126597491
59961798	XLogP3-AA	3
350825	Hydrogen_Bond_Donor_Count	0
102601697	Molecular_Weight	241.74
72376365	Exact_Mass	785.31085
5514	Rotatable_Bond_Count	3
626366	Defined_Atom_Stereo_Count	0
22645860	Non-hydrogen_Atom_Count	7
13032	Total_Formal_Charge	0
76152	Undefined_Bond_Stereo_Count	0
13138140	Mono_Isotopic_Weight	612.07668989
78802	Isotope_Atom_Count	0
6917663	Covalent_Unit_Count	1
518964	Hydrogen_Bond_Donor_Count	0
85693614	Rotatable_Bond_Count	3
23533634	Mono_Isotopic_Weight	118.062994177
5197257	Undefined_Bond_Stereo_Count	0
76661607	Molecular_Weight	104.15
227244	Defined_Atom_Stereo_Count	0
1519	Undefined_Bond_Stereo_Count	0
757	Hydrogen_Bond_Donor_Count	2
524674	Undefined_Atom_Stereo_Count	2
75879	Molecular_Weight	356.4
20485728	Hydrogen_Bond_Acceptor_Count	2
84623	Isotope_Atom_Count	0
1878	Exact_Mass	370.17802393
18757800	Structure_Complexity	126
22166430	Covalent_Unit_Count	1
14534553	Structure_Complexity	649
4362	Structure_Complexity	166
2176	Isotope_Atom_Count	0
3083540	Hydrogen_Bond_Acceptor_Count	3
49787020	Exact_Mass	884.52456972
72775170	Hydrogen_Bond_Acceptor_Count	2
14644797	Exact_Mass	115.063328530
53323075	Rotatable_Bond_Count	8
135425186	TPSA	106
135011791	Undefined_Bond_Stereo_Count	0
5353985	Isotope_Atom_Count	0
11010340	TPSA	63.6
15284838	Non-hydrogen_Atom_Count	12
91410	Undefined_Bond_Stereo_Count	0
76589	XLogP3-AA	2.6
53494828	Undefined_Bond_Stereo_Count	0
10155136	Undefined_Atom_Stereo_Count	0
73185506	Isotope_Atom_Count	0
128563	Undefined_Atom_Stereo_Count	0
15084875	Defined_Bond_Stereo_Count	0
14527402	Non-hydrogen_Atom_Count	8
66320	Exact_Mass	109.98373652
44443935	Undefined_Bond_Stereo_Count	0
33874	Hydrogen_Bond_Donor_Count	2
688378	Isotope_Atom_Count	0
93504	Total_Formal_Charge	0
9867	Undefined_Atom_Stereo_Count	0
87357201	Covalent_Unit_Count	2
193504	Hydrogen_Bond_Acceptor_Count	2
5329020	Defined_Atom_Stereo_Count	0
9835049	Undefined_Bond_Stereo_Count	0
91824751	Mono_Isotopic_Weight	832.52780463
140551	Isotope_Atom_Count	0
45358001	Hydrogen_Bond_Donor_Count	6
17980418	Hydrogen_Bond_Acceptor_Count	4
551491	Molecular_Weight	99.09
87595695	Exact_Mass	100.100048391
11051814	Hydrogen_Bond_Donor_Count	0
11217523	Defined_Bond_Stereo_Count	0
11595	Covalent_Unit_Count	1
170317	Mono_Isotopic_Weight	349.1000197
13811	Mono_Isotopic_Weight	526.28768825
85920	Defined_Bond_Stereo_Count	0
12290	Undefined_Bond_Stereo_Count	0
12040508	Exact_Mass	405.02516722
490	Rotatable_Bond_Count	2
134688323	Total_Formal_Charge	0
64647	Total_Formal_Charge	0
193168	Hydrogen_Bond_Donor_Count	2
26130	Tautomer_Count	1
16726873	Covalent_Unit_Count	2
70682976	Undefined_Atom_Stereo_Count	0
643221	Defined_Bond_Stereo_Count	0
26314	Structure_Complexity	1410
217049	Undefined_Atom_Stereo_Count	0
23257217	Non-hydrogen_Atom_Count	17
107275	XLogP3-AA	1.6
23663958	Non-hydrogen_Atom_Count	17
1437819	Covalent_Unit_Count	1
49217	Isotope_Atom_Count	0
74859	Total_Formal_Charge	0
58746	Mono_Isotopic_Weight	413.19294
73513	Isotope_Atom_Count	0
131204	Rotatable_Bond_Count	6
18402	Rotatable_Bond_Count	4
67513158	Undefined_Atom_Stereo_Count	0
9810773	Isotope_Atom_Count	0
12089	Structure_Complexity	141
92233	Rotatable_Bond_Count	2
446915	Defined_Atom_Stereo_Count	0
5281614	XLogP3-AA	2
6433620	Mono_Isotopic_Weight	388.215078140
5284341	Molecular_Weight	205.68
16426	Undefined_Bond_Stereo_Count	0
5362689	Isotope_Atom_Count	0
101254314	Non-hydrogen_Atom_Count	12
131204	Hydrogen_Bond_Donor_Count	4
13245709	Hydrogen_Bond_Acceptor_Count	1
4662	Undefined_Atom_Stereo_Count	8
74370	Structure_Complexity	1030
15887890	Defined_Bond_Stereo_Count	0
59888749	Undefined_Bond_Stereo_Count	0
582898	Structure_Complexity	115
80421	XLogP3-AA	0.6
4520	XLogP3-AA	0.1
139079010	Isotope_Atom_Count	0
105709961	Hydrogen_Bond_Acceptor_Count	1
154489025	Structure_Complexity	119
101417707	Covalent_Unit_Count	1
40697	XLogP3-AA	4.5
79122	Undefined_Atom_Stereo_Count	1
277953	TPSA	38.3
21866494	Exact_Mass	101.047678466
74978	Non-hydrogen_Atom_Count	18
12773795	Hydrogen_Bond_Donor_Count	0
141037332	Isotope_Atom_Count	0
13265779	Defined_Bond_Stereo_Count	0
45791267	Defined_Bond_Stereo_Count	0
132031748	Mono_Isotopic_Weight	113.047678466
5338	Exact_Mass	300.06809681
5353636	Mono_Isotopic_Weight	225.03857033
6956367	TPSA	106
1470718	Covalent_Unit_Count	1
12353957	Total_Formal_Charge	0
97383	Undefined_Bond_Stereo_Count	0
12723336	Total_Formal_Charge	0
3609	Undefined_Bond_Stereo_Count	0
30699	Molecular_Weight	423.5
11083832	Mono_Isotopic_Weight	96.032362755
69698	Rotatable_Bond_Count	1
656665	TPSA	45.3
3423265	Molecular_Weight	288.38
55290736	Undefined_Bond_Stereo_Count	0
10666310	Total_Formal_Charge	0
2724170	Isotope_Atom_Count	0
124769753	Covalent_Unit_Count	1
6214	Isotope_Atom_Count	0
154202106	Rotatable_Bond_Count	1
3706	XLogP3-AA	2.8
143342009	Hydrogen_Bond_Acceptor_Count	1
53983207	Structure_Complexity	113
689784	Non-hydrogen_Atom_Count	24
23712863	Rotatable_Bond_Count	0
68583	Molecular_Weight	505.7
91469448	Rotatable_Bond_Count	0
20493118	Undefined_Atom_Stereo_Count	2
136055781	Covalent_Unit_Count	1
23170707	Isotope_Atom_Count	0
240767	Tautomer_Count	6
9324	Hydrogen_Bond_Acceptor_Count	4
14494973	Undefined_Atom_Stereo_Count	0
12222	Tautomer_Count	1
22138513	Mono_Isotopic_Weight	102.068079557
101321425	TPSA	87
521204	Mono_Isotopic_Weight	347.224914549
46880369	Undefined_Atom_Stereo_Count	0
6428543	Rotatable_Bond_Count	5
146223	Non-hydrogen_Atom_Count	36
71142	Structure_Complexity	516
19589	Tautomer_Count	1
12341793	Total_Formal_Charge	0
16322	Non-hydrogen_Atom_Count	13
58969552	Rotatable_Bond_Count	1
4591	Hydrogen_Bond_Donor_Count	5
10290	Undefined_Bond_Stereo_Count	0
14911569	Defined_Atom_Stereo_Count	0
141363	Hydrogen_Bond_Donor_Count	0
72207311	Structure_Complexity	66.5
86790	Rotatable_Bond_Count	2
41934	Defined_Bond_Stereo_Count	0
49858377	Rotatable_Bond_Count	3
124159	Molecular_Weight	84.12
7393	TPSA	20.2
20775240	Hydrogen_Bond_Donor_Count	0
3966	Molecular_Weight	234.38
129866077	Hydrogen_Bond_Donor_Count	11
19526	Hydrogen_Bond_Acceptor_Count	2
9929430	Total_Formal_Charge	0
5460044	Defined_Bond_Stereo_Count	0
12246933	Defined_Atom_Stereo_Count	0
5056739	TPSA	29.5
6454	Total_Formal_Charge	0
208910	Hydrogen_Bond_Donor_Count	0
24848343	Mono_Isotopic_Weight	254.0267192
72430	TPSA	84.5
91751	Defined_Bond_Stereo_Count	0
71451930	TPSA	99.2
586156	Covalent_Unit_Count	1
86764	Hydrogen_Bond_Donor_Count	0
76487	Undefined_Atom_Stereo_Count	0
2734819	Undefined_Atom_Stereo_Count	0
57097	Exact_Mass	940.42049858
73425158	Undefined_Bond_Stereo_Count	0
91231076	Undefined_Bond_Stereo_Count	0
18899	Mono_Isotopic_Weight	205.110278721
28140	Defined_Atom_Stereo_Count	0
15998	Hydrogen_Bond_Acceptor_Count	3
557021	Tautomer_Count	1
12102501	Hydrogen_Bond_Acceptor_Count	3
72121	Mono_Isotopic_Weight	308.17494466
71459116	Total_Formal_Charge	0
114823056	XLogP3-AA	0.4
7057995	Covalent_Unit_Count	1
11257	Rotatable_Bond_Count	3
28080	Isotope_Atom_Count	0
31420	Undefined_Bond_Stereo_Count	0
133083079	Undefined_Atom_Stereo_Count	0
17778639	Defined_Bond_Stereo_Count	0
121207426	Structure_Complexity	165
46945256	Hydrogen_Bond_Donor_Count	3
30771	Defined_Atom_Stereo_Count	0
71612	Undefined_Atom_Stereo_Count	1
34364440	Undefined_Atom_Stereo_Count	0
54114	Isotope_Atom_Count	0
14244	Defined_Bond_Stereo_Count	0
7098662	Undefined_Bond_Stereo_Count	0
54544033	Hydrogen_Bond_Acceptor_Count	9
100641	Hydrogen_Bond_Acceptor_Count	6
14127	Isotope_Atom_Count	0
9949812	Total_Formal_Charge	0
11560	Exact_Mass	169.97311
31368	Structure_Complexity	83.1
57939635	Defined_Bond_Stereo_Count	0
292249	Molecular_Weight	110.11
3092	Mono_Isotopic_Weight	225.03857033
91825716	TPSA	66.4
93189	Mono_Isotopic_Weight	178.135765193
12561969	Non-hydrogen_Atom_Count	8
8477	Defined_Atom_Stereo_Count	0
2762927	Isotope_Atom_Count	0
447249	Isotope_Atom_Count	0
4424	Non-hydrogen_Atom_Count	48
56955933	Total_Formal_Charge	0
5231	Non-hydrogen_Atom_Count	14
52766	Exact_Mass	274.11398438
87064	Exact_Mass	195.162314293
12986478	Exact_Mass	115.063328530
5367412	Mono_Isotopic_Weight	150.140850574
117217480	Undefined_Atom_Stereo_Count	0
71643	TPSA	32.6
738952	Total_Formal_Charge	0
135542158	Isotope_Atom_Count	0
174251	Rotatable_Bond_Count	19
5253	XLogP3	0.2
82148	Undefined_Bond_Stereo_Count	0
81233	Non-hydrogen_Atom_Count	14
101191397	Hydrogen_Bond_Acceptor_Count	2
48041	Mono_Isotopic_Weight	352.215078140
61680	TPSA	63.2
273032	Undefined_Bond_Stereo_Count	0
8095	XLogP3-AA	0.3
11953947	Exact_Mass	910.5458778
62418	TPSA	63.3
87086790	Covalent_Unit_Count	1
135414420	Defined_Bond_Stereo_Count	0
15376592	Undefined_Bond_Stereo_Count	0
52949373	Hydrogen_Bond_Donor_Count	2
123959	Isotope_Atom_Count	0
122361733	TPSA	198
123258031	Mono_Isotopic_Weight	110.073164938
67184	TPSA	37.4
135513267	Undefined_Bond_Stereo_Count	0
54490	XLogP3	2.5
1311	Undefined_Bond_Stereo_Count	0
43471	Defined_Bond_Stereo_Count	0
7814	Exact_Mass	108.068748264
138506	Structure_Complexity	266
6604333	Isotope_Atom_Count	0
45076013	Total_Formal_Charge	0
18340	Rotatable_Bond_Count	6
11088	Isotope_Atom_Count	0
4526530	Hydrogen_Bond_Acceptor_Count	3
22939741	Undefined_Bond_Stereo_Count	0
44273397	XLogP3-AA	4
6539003	Structure_Complexity	453
8761	Undefined_Atom_Stereo_Count	0
55255930	Defined_Atom_Stereo_Count	0
21884945	Undefined_Atom_Stereo_Count	0
62731702	Exact_Mass	112.063662883
139079243	Rotatable_Bond_Count	2
19010321	Undefined_Atom_Stereo_Count	0
91981561	Hydrogen_Bond_Donor_Count	3
69021	Defined_Bond_Stereo_Count	0
44814409	XLogP3-AA	3.9
6935	Covalent_Unit_Count	1
10301	Defined_Bond_Stereo_Count	0
17179	Hydrogen_Bond_Donor_Count	0
534959	Isotope_Atom_Count	0
155977656	TPSA	229
8446	Tautomer_Count	1
88734521	Undefined_Atom_Stereo_Count	2
22078297	Hydrogen_Bond_Donor_Count	0
59295939	Defined_Atom_Stereo_Count	1
5366266	Covalent_Unit_Count	1
153577917	TPSA	9.2
88133875	Hydrogen_Bond_Donor_Count	0
54676478	Hydrogen_Bond_Acceptor_Count	3
861	Undefined_Atom_Stereo_Count	1
80277	Defined_Bond_Stereo_Count	0
2127	Covalent_Unit_Count	1
10358218	Rotatable_Bond_Count	6
24829330	TPSA	137
1473879	Exact_Mass	252.03171130
10234	Defined_Bond_Stereo_Count	0
36588	Non-hydrogen_Atom_Count	10
3025721	XLogP3	2.8
54692950	TPSA	194
88589623	Hydrogen_Bond_Acceptor_Count	14
638026	Undefined_Atom_Stereo_Count	0
84002	Hydrogen_Bond_Donor_Count	3
22385738	XLogP3-AA	0.2
10350317	Mono_Isotopic_Weight	785.59345564
44629596	Hydrogen_Bond_Acceptor_Count	4
2723706	Rotatable_Bond_Count	2
6503	Hydrogen_Bond_Donor_Count	4
196	Mono_Isotopic_Weight	146.05790880
7943	Defined_Bond_Stereo_Count	0
398513	Hydrogen_Bond_Acceptor_Count	10
101576	Mono_Isotopic_Weight	181.089149355
233613	Hydrogen_Bond_Donor_Count	1
137118	Total_Formal_Charge	0
11672461	Undefined_Atom_Stereo_Count	0
216287	Rotatable_Bond_Count	3
21083976	Exact_Mass	120.043596145
13041095	Structure_Complexity	463
637568	Rotatable_Bond_Count	4
21908889	Exact_Mass	121.03750770
45934213	Mono_Isotopic_Weight	490.0846756
57485872	TPSA	63.3
9296	Undefined_Bond_Stereo_Count	0
122706054	Hydrogen_Bond_Acceptor_Count	20
91490309	Covalent_Unit_Count	1
80265	TPSA	18.5
48000	Exact_Mass	696.34642666
2173	Structure_Complexity	556
431668	Hydrogen_Bond_Donor_Count	2
80230	Rotatable_Bond_Count	0
3744	Defined_Atom_Stereo_Count	0
70023156	Undefined_Atom_Stereo_Count	1
167	Undefined_Atom_Stereo_Count	0
208925	Total_Formal_Charge	0
11970261	Covalent_Unit_Count	3
6917871	Structure_Complexity	1100
135438121	Tautomer_Count	5
146158432	Covalent_Unit_Count	1
53314962	Rotatable_Bond_Count	4
5344	Defined_Atom_Stereo_Count	0
66383	Rotatable_Bond_Count	12
26546	Defined_Bond_Stereo_Count	0
20526803	Molecular_Weight	112.09
93573	Undefined_Bond_Stereo_Count	0
132274080	XLogP3	4.2
642326	Exact_Mass	99.104799419
451239	Hydrogen_Bond_Donor_Count	0
22591521	Structure_Complexity	104
42525	Undefined_Bond_Stereo_Count	0
17673	Defined_Atom_Stereo_Count	0
46783812	Defined_Bond_Stereo_Count	0
91620	Undefined_Atom_Stereo_Count	0
25799416	Isotope_Atom_Count	0
21624254	Hydrogen_Bond_Acceptor_Count	2
9890377	Covalent_Unit_Count	1
68225733	Total_Formal_Charge	0
16684463	Rotatable_Bond_Count	8
8209	Molecular_Weight	214.39
19829701	Defined_Bond_Stereo_Count	0
87700	Undefined_Bond_Stereo_Count	0
71305059	Mono_Isotopic_Weight	421.11618739
3608	Defined_Bond_Stereo_Count	0
519186	Tautomer_Count	1
68392349	Exact_Mass	109.089149355
48279	Tautomer_Count	1
12425338	Undefined_Bond_Stereo_Count	0
90181814	Covalent_Unit_Count	1
66991180	Covalent_Unit_Count	1
16133850	Structure_Complexity	9740
57066209	Molecular_Weight	112.13
11947765	Covalent_Unit_Count	1
5442	Hydrogen_Bond_Donor_Count	0
6433415	Rotatable_Bond_Count	2
14920524	Molecular_Weight	111.10
198136	Non-hydrogen_Atom_Count	25
11857377	Structure_Complexity	313
9985155	Defined_Atom_Stereo_Count	0
1476679	Isotope_Atom_Count	0
33728341	Molecular_Weight	113.12
14584	Non-hydrogen_Atom_Count	16
12233	Structure_Complexity	42.6
3833333	Undefined_Atom_Stereo_Count	1
143403310	Covalent_Unit_Count	1
9555	Defined_Atom_Stereo_Count	0
12579408	Undefined_Atom_Stereo_Count	2
5284378	Rotatable_Bond_Count	4
141959525	Molecular_Weight	97.16
10930781	Mono_Isotopic_Weight	790.22615588
95883	Exact_Mass	161.06880783
66636	Undefined_Atom_Stereo_Count	0
13399	XLogP3-AA	1.2
5297	Covalent_Unit_Count	1
68909	Molecular_Weight	367.3
12732836	Exact_Mass	153.151749610
5431	Rotatable_Bond_Count	8
2723610	Exact_Mass	342.11621151
68741375	Undefined_Bond_Stereo_Count	0
141758021	Undefined_Atom_Stereo_Count	0
146158340	Non-hydrogen_Atom_Count	36
522731	Undefined_Bond_Stereo_Count	1
140233814	Rotatable_Bond_Count	1
25099	Molecular_Weight	301.4
7048611	Undefined_Atom_Stereo_Count	0
57190391	Covalent_Unit_Count	1
182422	Molecular_Weight	230.3
163722493	Mono_Isotopic_Weight	95.073499291
118318030	Structure_Complexity	756
2793	Exact_Mass	480.2655895
15617	XLogP3-AA	0.4
2062	Rotatable_Bond_Count	6
131167766	Hydrogen_Bond_Donor_Count	0
71160	TPSA	52.6
436482	Molecular_Weight	193.28
6443795	TPSA	230
18974460	Total_Formal_Charge	0
10329273	Non-hydrogen_Atom_Count	8
55973	Rotatable_Bond_Count	0
5283387	Isotope_Atom_Count	0
3033968	Undefined_Bond_Stereo_Count	0
41376	Mono_Isotopic_Weight	321.17356494
216265	Rotatable_Bond_Count	10
88239551	Undefined_Bond_Stereo_Count	0
11643997	Total_Formal_Charge	0
13676	Hydrogen_Bond_Acceptor_Count	3
4033	Exact_Mass	155.0268547
71307528	XLogP3-AA	4.2
6433339	TPSA	9.2
69333926	Molecular_Weight	108.10
5324584	Structure_Complexity	53.2
439201	Total_Formal_Charge	0
130124330	Isotope_Atom_Count	0
442993	Defined_Bond_Stereo_Count	0
97754	Undefined_Atom_Stereo_Count	1
20692458	Covalent_Unit_Count	1
105709961	Isotope_Atom_Count	0
78328	Hydrogen_Bond_Donor_Count	1
2896	Rotatable_Bond_Count	2
44276024	TPSA	55.3
468	Exact_Mass	586.31882799
10459649	Hydrogen_Bond_Donor_Count	2
307877	Defined_Atom_Stereo_Count	0
14829	Defined_Bond_Stereo_Count	0
123934238	Hydrogen_Bond_Donor_Count	1
45488113	TPSA	58.7
6432565	Mono_Isotopic_Weight	272.177630004
15012	Hydrogen_Bond_Acceptor_Count	1
135556680	Structure_Complexity	119
12377442	Undefined_Atom_Stereo_Count	1
98458	Total_Formal_Charge	0
60196338	Molecular_Weight	936.0
157882	Isotope_Atom_Count	0
12200971	Non-hydrogen_Atom_Count	8
8857	XLogP3	0.7
53965310	Undefined_Bond_Stereo_Count	0
52355	Undefined_Bond_Stereo_Count	0
25138203	Molecular_Weight	354.4
5311236	Total_Formal_Charge	0
24360	Hydrogen_Bond_Acceptor_Count	5
18764599	Non-hydrogen_Atom_Count	8
139154214	Hydrogen_Bond_Acceptor_Count	7
30489	TPSA	3.2
88300	Exact_Mass	296.19875937
1969	Structure_Complexity	248
53346593	Exact_Mass	104.047344113
533519	Undefined_Atom_Stereo_Count	1
71853	Hydrogen_Bond_Acceptor_Count	47
59350891	Undefined_Bond_Stereo_Count	0
17510	Defined_Bond_Stereo_Count	0
11701	Non-hydrogen_Atom_Count	10
3915	Structure_Complexity	681
71337442	Defined_Bond_Stereo_Count	0
88937798	Defined_Bond_Stereo_Count	0
11378472	Total_Formal_Charge	0
77982	Defined_Bond_Stereo_Count	0
6419965	Tautomer_Count	3
14078850	Non-hydrogen_Atom_Count	64
5353830	Hydrogen_Bond_Donor_Count	1
44563144	Total_Formal_Charge	0
146680	Structure_Complexity	753
289807	Structure_Complexity	366
99334	Covalent_Unit_Count	1
11840927	Exact_Mass	228.09324893
5458165	Non-hydrogen_Atom_Count	37
7385	Non-hydrogen_Atom_Count	12
9989239	TPSA	58.2
941385	Defined_Atom_Stereo_Count	2
16050931	Non-hydrogen_Atom_Count	20
23674215	Non-hydrogen_Atom_Count	18
56680189	Defined_Atom_Stereo_Count	0
4459	Isotope_Atom_Count	0
5367564	Rotatable_Bond_Count	3
9786	Undefined_Bond_Stereo_Count	0
21910271	Exact_Mass	223.04899890
6441079	Undefined_Atom_Stereo_Count	9
10048368	Hydrogen_Bond_Donor_Count	0
52943718	Mono_Isotopic_Weight	404.0873882
4122	Hydrogen_Bond_Acceptor_Count	5
65662	Mono_Isotopic_Weight	267.125928785
443239	Hydrogen_Bond_Acceptor_Count	6
157350	Hydrogen_Bond_Donor_Count	1
31218	Structure_Complexity	370
5053	Isotope_Atom_Count	0
76485	Undefined_Bond_Stereo_Count	0
38884	Total_Formal_Charge	0
71153	Structure_Complexity	370
15747657	Total_Formal_Charge	0
20498	Undefined_Bond_Stereo_Count	0
8147	Undefined_Atom_Stereo_Count	0
8413	Non-hydrogen_Atom_Count	16
11397521	Tautomer_Count	7
67771108	Exact_Mass	100.052429494
59072033	Undefined_Bond_Stereo_Count	0
81080	Isotope_Atom_Count	0
6327114	Molecular_Weight	109.04
53372724	Rotatable_Bond_Count	9
57185798	Isotope_Atom_Count	0
7288	Non-hydrogen_Atom_Count	6
135445749	Exact_Mass	503.15052004
542372	Total_Formal_Charge	0
146158032	Isotope_Atom_Count	3
87831585	Structure_Complexity	101
3300	Isotope_Atom_Count	0
3659	Molecular_Weight	527.5
106951	Defined_Bond_Stereo_Count	0
441451	Total_Formal_Charge	0
11126189	Exact_Mass	100.052429494
339079	Non-hydrogen_Atom_Count	16
69341269	Exact_Mass	112.063662883
54544621	Non-hydrogen_Atom_Count	8
3776	Hydrogen_Bond_Acceptor_Count	1
154515422	Structure_Complexity	82.4
23696271	Undefined_Bond_Stereo_Count	0
10517	Structure_Complexity	404
14297145	Mono_Isotopic_Weight	236.00449107
58325	Rotatable_Bond_Count	4
73185506	Undefined_Bond_Stereo_Count	1
4374	Molecular_Weight	179.26
5479530	Exact_Mass	554.04605846
77328	Undefined_Bond_Stereo_Count	0
20136721	Structure_Complexity	108
102521938	Mono_Isotopic_Weight	418.30830982
168256	Non-hydrogen_Atom_Count	31
657202	Molecular_Weight	282.4
9802542	Exact_Mass	426.19197371
718862	Undefined_Bond_Stereo_Count	0
141704	Defined_Bond_Stereo_Count	0
44310852	TPSA	64.1
136498	XLogP3-AA	2
611887	Exact_Mass	229.110278721
66903	Exact_Mass	366.349780706
248370	Undefined_Atom_Stereo_Count	0
124040753	Hydrogen_Bond_Acceptor_Count	6
60196333	Undefined_Bond_Stereo_Count	0
17769889	Molecular_Weight	100.16
4975	Defined_Bond_Stereo_Count	0
102249560	Total_Formal_Charge	0
90753995	Isotope_Atom_Count	0
75828	Defined_Bond_Stereo_Count	0
5053	Tautomer_Count	1
70696694	Mono_Isotopic_Weight	380.13069707
11961	Structure_Complexity	192
101365708	TPSA	71.5
56593143	Molecular_Weight	400.5
6549	Mono_Isotopic_Weight	154.135765193
151205	TPSA	88.6
123248	Mono_Isotopic_Weight	70.041864811
6987	Undefined_Bond_Stereo_Count	0
103564347	Undefined_Bond_Stereo_Count	0
8820	Total_Formal_Charge	0
57390700	TPSA	156
577022	Total_Formal_Charge	0
5152771	Exact_Mass	113.084063974
65792	Covalent_Unit_Count	1
12209	Structure_Complexity	88.9
92515	Isotope_Atom_Count	0
79577129	Non-hydrogen_Atom_Count	8
73957	Covalent_Unit_Count	2
60044692	Covalent_Unit_Count	1
23338787	TPSA	26.3
9793703	Exact_Mass	98.059246208
1254	Mono_Isotopic_Weight	156.151415257
10866	Hydrogen_Bond_Donor_Count	0
65246	Non-hydrogen_Atom_Count	16
3082780	Isotope_Atom_Count	0
8186	Hydrogen_Bond_Donor_Count	0
44581145	Hydrogen_Bond_Donor_Count	4
221292	TPSA	20.2
5827	Defined_Atom_Stereo_Count	0
13619	Exact_Mass	195.924948
67050	Rotatable_Bond_Count	0
20169	Molecular_Weight	312.4
121945	Defined_Bond_Stereo_Count	0
75240	Rotatable_Bond_Count	1
2756390	Structure_Complexity	269
29131	Undefined_Bond_Stereo_Count	0
3000605	Undefined_Bond_Stereo_Count	0
45656	Isotope_Atom_Count	0
134693315	Covalent_Unit_Count	1
1566	Isotope_Atom_Count	0
999	Non-hydrogen_Atom_Count	10
46902102	Covalent_Unit_Count	2
139782102	Exact_Mass	96.057514874
69488026	Rotatable_Bond_Count	0
5193	Mono_Isotopic_Weight	238.13174244
834519	Rotatable_Bond_Count	6
519103	Hydrogen_Bond_Donor_Count	2
136836	Undefined_Bond_Stereo_Count	0
156615593	TPSA	110
11249084	Hydrogen_Bond_Acceptor_Count	5
21935075	Defined_Bond_Stereo_Count	0
5288193	Undefined_Bond_Stereo_Count	0
6435500	Hydrogen_Bond_Acceptor_Count	7
10163178	Structure_Complexity	702
643209	Rotatable_Bond_Count	2
71268957	Molecular_Weight	541.7
520396	Undefined_Bond_Stereo_Count	1
91827799	Rotatable_Bond_Count	1
24526	Molecular_Weight	70.90
16073670	Defined_Bond_Stereo_Count	0
11865410	Defined_Atom_Stereo_Count	4
11742188	Hydrogen_Bond_Acceptor_Count	5
101582408	Rotatable_Bond_Count	10
48804	Isotope_Atom_Count	0
44521019	Non-hydrogen_Atom_Count	30
443403	Non-hydrogen_Atom_Count	20
72146	Exact_Mass	253.07726451
10708	Tautomer_Count	1
3062	Structure_Complexity	1450
317883	Undefined_Bond_Stereo_Count	0
13420638	Hydrogen_Bond_Donor_Count	0
30819	Covalent_Unit_Count	1
22004078	TPSA	38.4
60196320	TPSA	44.5
21908889	Rotatable_Bond_Count	3
616631	TPSA	40
9805430	Defined_Atom_Stereo_Count	4
9831414	Defined_Bond_Stereo_Count	11
5476374	Structure_Complexity	34.5
97035	Defined_Atom_Stereo_Count	0
11308	Exact_Mass	212.06847348
73330464	Hydrogen_Bond_Acceptor_Count	6
10540046	Non-hydrogen_Atom_Count	19
15983549	Covalent_Unit_Count	1
60196321	Covalent_Unit_Count	2
443154	Structure_Complexity	1190
25271781	Undefined_Atom_Stereo_Count	0
105146	Non-hydrogen_Atom_Count	1
57035514	Rotatable_Bond_Count	1
171227	Undefined_Atom_Stereo_Count	0
13593923	Exact_Mass	110.073164938
41020	Total_Formal_Charge	0
2905	Non-hydrogen_Atom_Count	21
13021	Hydrogen_Bond_Donor_Count	1
4617	Structure_Complexity	468
25001850	Undefined_Atom_Stereo_Count	0
133662561	Molecular_Weight	182.14
74080	Mono_Isotopic_Weight	106.053098200
2795425	Hydrogen_Bond_Donor_Count	0
8110	Defined_Bond_Stereo_Count	0
13316167	Non-hydrogen_Atom_Count	11
11062312	Defined_Bond_Stereo_Count	0
8927	Non-hydrogen_Atom_Count	19
69779590	Non-hydrogen_Atom_Count	7
14379227	Defined_Atom_Stereo_Count	0
24199	Mono_Isotopic_Weight	317.259288680
139192	Defined_Bond_Stereo_Count	0
98790	Non-hydrogen_Atom_Count	14
88983	Defined_Bond_Stereo_Count	0
38286	Covalent_Unit_Count	2
75534860	Structure_Complexity	1220
439186	Non-hydrogen_Atom_Count	23
56666341	Total_Formal_Charge	0
23665874	Non-hydrogen_Atom_Count	17
8104	Structure_Complexity	72.2
58376271	Rotatable_Bond_Count	3
1149	Defined_Atom_Stereo_Count	0
154515463	Undefined_Atom_Stereo_Count	1
58096	Tautomer_Count	2
50943013	Isotope_Atom_Count	0
12681848	Mono_Isotopic_Weight	296.17360725
65823	TPSA	23.5
56841794	TPSA	3160
102090390	Isotope_Atom_Count	0
6538991	Hydrogen_Bond_Acceptor_Count	7
225936	Hydrogen_Bond_Acceptor_Count	2
38706	Non-hydrogen_Atom_Count	12
70065832	Covalent_Unit_Count	1
5351447	Rotatable_Bond_Count	5
56834577	TPSA	102
11446308	Undefined_Atom_Stereo_Count	0
493342	Non-hydrogen_Atom_Count	23
98181815	TPSA	57.2
611834	Covalent_Unit_Count	7
13761352	XLogP3-AA	1.3
91526	Non-hydrogen_Atom_Count	10
12724623	Exact_Mass	98.073164938
44400351	Defined_Bond_Stereo_Count	0
69814	Total_Formal_Charge	0
21124737	Hydrogen_Bond_Acceptor_Count	14
67513158	Hydrogen_Bond_Acceptor_Count	2
5462951	Covalent_Unit_Count	1
34991	XLogP3-AA	1.9
9914506	Non-hydrogen_Atom_Count	35
23716436	Structure_Complexity	558
9846078	Exact_Mass	440.17360725
35754	Isotope_Atom_Count	0
517327	Rotatable_Bond_Count	1
88276	Structure_Complexity	169
19363031	Total_Formal_Charge	0
142464198	Defined_Bond_Stereo_Count	0
44599207	Isotope_Atom_Count	0
72924	Covalent_Unit_Count	1
12644711	Total_Formal_Charge	0
59295926	TPSA	87.6
137701808	Exact_Mass	639.37711765
522621	Structure_Complexity	143
24848788	TPSA	65.8
45076013	Mono_Isotopic_Weight	116.04081944
115205	Hydrogen_Bond_Donor_Count	6
61743	Defined_Atom_Stereo_Count	0
9800339	Undefined_Atom_Stereo_Count	1
492976	XLogP3-AA	1.9
447256	Hydrogen_Bond_Donor_Count	1
40159	Exact_Mass	390.0789499
126011	Undefined_Atom_Stereo_Count	7
2803172	TPSA	67.4
164825	Defined_Bond_Stereo_Count	0
12599701	Hydrogen_Bond_Donor_Count	1
132584645	TPSA	43.4
58160574	Rotatable_Bond_Count	6
83156	XLogP3-AA	0.2
9820034	Non-hydrogen_Atom_Count	26
3040551	Covalent_Unit_Count	2
9999	Undefined_Bond_Stereo_Count	0
11512	Defined_Atom_Stereo_Count	0
20348168	XLogP3-AA	0.2
82650923	Hydrogen_Bond_Donor_Count	0
11966162	Molecular_Weight	907.7
89261068	Molecular_Weight	114.15
6857537	Molecular_Weight	212.29
91599894	Rotatable_Bond_Count	0
11636795	Hydrogen_Bond_Donor_Count	0
22269415	Defined_Atom_Stereo_Count	0
17344	Defined_Atom_Stereo_Count	0
58420420	Undefined_Atom_Stereo_Count	0
3284	Structure_Complexity	220
5467	Rotatable_Bond_Count	8
12969456	Undefined_Atom_Stereo_Count	0
57390868	Non-hydrogen_Atom_Count	31
3081386	Defined_Atom_Stereo_Count	8
2146	Mono_Isotopic_Weight	74.059246208
89318	Isotope_Atom_Count	0
61053	TPSA	55.4
30973	TPSA	61.5
77918	Rotatable_Bond_Count	2
11200	Exact_Mass	139.937397
55250	Total_Formal_Charge	0
16211113	Structure_Complexity	112
9885442	Undefined_Atom_Stereo_Count	0
177323	Defined_Bond_Stereo_Count	0
13033202	TPSA	52
119432	Structure_Complexity	0
3799953	Exact_Mass	78.03774543
72015	Hydrogen_Bond_Donor_Count	3
25191022	Hydrogen_Bond_Acceptor_Count	10
27932	Exact_Mass	100.063662883
9853053	TPSA	61.4
9855081	Total_Formal_Charge	0
14781907	Undefined_Bond_Stereo_Count	0
441332	Covalent_Unit_Count	1
15720326	Non-hydrogen_Atom_Count	12
21210	Structure_Complexity	54.9
23690943	Hydrogen_Bond_Acceptor_Count	19
444440	Hydrogen_Bond_Acceptor_Count	9
41545	Undefined_Atom_Stereo_Count	0
21546968	Non-hydrogen_Atom_Count	8
24321	Non-hydrogen_Atom_Count	22
24780	Mono_Isotopic_Weight	500.30708103
50989726	Molecular_Weight	97.16
5015763	Undefined_Bond_Stereo_Count	0
14968895	Rotatable_Bond_Count	3
5284468	Mono_Isotopic_Weight	247.963896
149798	Hydrogen_Bond_Acceptor_Count	2
198790	Exact_Mass	373.94122
11829397	Mono_Isotopic_Weight	114.068079557
20190406	Undefined_Bond_Stereo_Count	0
141024055	Covalent_Unit_Count	1
53924211	TPSA	58.5
23000221	Undefined_Atom_Stereo_Count	0
54382	Undefined_Bond_Stereo_Count	1
143686076	Structure_Complexity	90.2
23661867	Exact_Mass	230.00135954
72199784	Structure_Complexity	626
549138	Covalent_Unit_Count	1
23653	XLogP3-AA	0.9
6337	TPSA	0
23479	Undefined_Atom_Stereo_Count	1
44144393	Covalent_Unit_Count	1
135854412	Rotatable_Bond_Count	0
9865515	XLogP3-AA	2.8
122197581	Covalent_Unit_Count	1
106228050	Defined_Atom_Stereo_Count	0
154496863	Non-hydrogen_Atom_Count	23
11664966	Undefined_Bond_Stereo_Count	0
80274	Isotope_Atom_Count	0
67797735	Tautomer_Count	4
7400	Hydrogen_Bond_Acceptor_Count	3
95717	Rotatable_Bond_Count	0
89389546	Isotope_Atom_Count	0
42627755	Defined_Atom_Stereo_Count	0
2676	Defined_Atom_Stereo_Count	0
10510831	XLogP3-AA	0.6
15765924	Covalent_Unit_Count	1
32040	Rotatable_Bond_Count	5
90957	Mono_Isotopic_Weight	716.13357
66545742	TPSA	58.7
5282219	Undefined_Bond_Stereo_Count	0
50023	Structure_Complexity	255
94190	Undefined_Atom_Stereo_Count	0
17215	Undefined_Atom_Stereo_Count	0
9500	Isotope_Atom_Count	0
83467	Hydrogen_Bond_Donor_Count	2
20499147	Hydrogen_Bond_Acceptor_Count	2
8784	Defined_Bond_Stereo_Count	0
89976630	Structure_Complexity	124
55889	Undefined_Atom_Stereo_Count	0
46795	Exact_Mass	301.06774
245005	Defined_Atom_Stereo_Count	14
736366	Molecular_Weight	202.28
5934	Undefined_Bond_Stereo_Count	0
41114	Exact_Mass	515.1823134
14112079	TPSA	40.5
53707229	Defined_Bond_Stereo_Count	0
5320547	Mono_Isotopic_Weight	296.307915895
9941379	Total_Formal_Charge	0
6918332	Non-hydrogen_Atom_Count	27
16051921	Rotatable_Bond_Count	6
118104	XLogP3-AA	0.5
10316809	Covalent_Unit_Count	1
208901	Non-hydrogen_Atom_Count	28
124072	Defined_Bond_Stereo_Count	0
51935	Defined_Atom_Stereo_Count	0
5281071	Rotatable_Bond_Count	5
77999	Structure_Complexity	469
21103	Structure_Complexity	235
27993	TPSA	89
54584098	TPSA	46.5
14830385	Undefined_Bond_Stereo_Count	0
6946312	Non-hydrogen_Atom_Count	10
121271792	Molecular_Weight	386.4
663894	Structure_Complexity	667
44455045	Hydrogen_Bond_Acceptor_Count	12
458420	Mono_Isotopic_Weight	86.02286070
2794133	TPSA	121
643976	Covalent_Unit_Count	1
129881709	Structure_Complexity	203
4101	Mono_Isotopic_Weight	140.106196400
6458	Hydrogen_Bond_Donor_Count	0
71306720	Isotope_Atom_Count	0
91618345	Covalent_Unit_Count	1
9543528	Exact_Mass	160.09218630
135475930	Total_Formal_Charge	0
129864959	Exact_Mass	292.10341969
23064418	Defined_Atom_Stereo_Count	0
6043	Non-hydrogen_Atom_Count	10
48670	Undefined_Atom_Stereo_Count	0
54610154	Undefined_Bond_Stereo_Count	0
5483	Isotope_Atom_Count	0
91992733	Isotope_Atom_Count	0
5353831	Molecular_Weight	331.5
10721	TPSA	23.8
126083	Non-hydrogen_Atom_Count	21
90941377	Molecular_Weight	425.4
28936	Defined_Bond_Stereo_Count	0
133967	Defined_Bond_Stereo_Count	0
102106219	Hydrogen_Bond_Acceptor_Count	4
146682529	Undefined_Atom_Stereo_Count	0
59772010	Undefined_Atom_Stereo_Count	0
10994	Total_Formal_Charge	0
93798	Defined_Bond_Stereo_Count	0
21061878	Non-hydrogen_Atom_Count	8
6440013	Non-hydrogen_Atom_Count	59
102452877	Molecular_Weight	106.16
59653	Covalent_Unit_Count	1
2775940	Rotatable_Bond_Count	18
2725002	TPSA	39.4
42602351	Covalent_Unit_Count	1
773938	Hydrogen_Bond_Acceptor_Count	4
5282545	Isotope_Atom_Count	0
4011	XLogP3-AA	4.6
242436	Exact_Mass	357.15762283
87901	Hydrogen_Bond_Acceptor_Count	6
1116	Defined_Atom_Stereo_Count	0
3032572	Molecular_Weight	226.4
9743	TPSA	20.2
12563	TPSA	0
69454537	Hydrogen_Bond_Donor_Count	1
6696	Molecular_Weight	309.16
584547	Exact_Mass	416.21988874
3498	Hydrogen_Bond_Acceptor_Count	4
6431226	Non-hydrogen_Atom_Count	14
7174	Molecular_Weight	179.22
16135625	Exact_Mass	1410.67744153
10236	Undefined_Bond_Stereo_Count	0
4019	Non-hydrogen_Atom_Count	27
51256	TPSA	0
21719953	Undefined_Bond_Stereo_Count	0
35330	Hydrogen_Bond_Acceptor_Count	6
179338	Defined_Atom_Stereo_Count	0
10499446	Covalent_Unit_Count	1
70346812	Defined_Atom_Stereo_Count	0
25184868	Exact_Mass	154.135765193
32681	XLogP3-AA	4.5
9832383	Non-hydrogen_Atom_Count	34
6919629	Mono_Isotopic_Weight	184.09736831
5076	Undefined_Bond_Stereo_Count	0
480242	Rotatable_Bond_Count	2
140152869	Undefined_Bond_Stereo_Count	1
59939847	Undefined_Atom_Stereo_Count	1
37366	Exact_Mass	221.03329170
5460588	Hydrogen_Bond_Donor_Count	2
11355437	Molecular_Weight	78.071
101031992	Non-hydrogen_Atom_Count	8
88100859	Isotope_Atom_Count	0
16639	Covalent_Unit_Count	1
53346491	Rotatable_Bond_Count	5
752860	Structure_Complexity	391
44454985	Hydrogen_Bond_Donor_Count	3
14844402	Mono_Isotopic_Weight	526.2023205
11815296	Undefined_Atom_Stereo_Count	0
9026	Exact_Mass	354.31339520
12205098	Undefined_Atom_Stereo_Count	0
10220511	Rotatable_Bond_Count	0
23581798	Non-hydrogen_Atom_Count	24
13437467	Defined_Bond_Stereo_Count	0
24916941	Undefined_Atom_Stereo_Count	0
9576811	Exact_Mass	353.12229995
441382	Isotope_Atom_Count	0
61203	Exact_Mass	188.03208797
9603	Mono_Isotopic_Weight	110.053178385
5259916	Total_Formal_Charge	0
55804	Structure_Complexity	150
9301	Mono_Isotopic_Weight	235.02079
59713	Structure_Complexity	384
9828911	XLogP3-AA	2.8
441071	Undefined_Atom_Stereo_Count	0
9801640	Covalent_Unit_Count	1
129228	Rotatable_Bond_Count	3
18506421	Covalent_Unit_Count	1
373077	Hydrogen_Bond_Acceptor_Count	2
441285	Undefined_Bond_Stereo_Count	0
274082	Exact_Mass	548.12131415
135509147	Structure_Complexity	754
447482	Total_Formal_Charge	0
6325	Total_Formal_Charge	0
11228026	Hydrogen_Bond_Acceptor_Count	6
13618	Rotatable_Bond_Count	0
11338127	Defined_Bond_Stereo_Count	0
90532	Undefined_Bond_Stereo_Count	0
109016492	Isotope_Atom_Count	0
57750407	Exact_Mass	495.2513364
26757	Hydrogen_Bond_Acceptor_Count	1
72064	Isotope_Atom_Count	0
85828788	Undefined_Atom_Stereo_Count	0
22556	Hydrogen_Bond_Acceptor_Count	1
107949	Isotope_Atom_Count	0
524655	Non-hydrogen_Atom_Count	7
91326539	Hydrogen_Bond_Acceptor_Count	0
44755151	Exact_Mass	368.01339457
72790	Rotatable_Bond_Count	0
825744	Total_Formal_Charge	0
153884978	Non-hydrogen_Atom_Count	8
572565	Mono_Isotopic_Weight	108.043596145
72370	XLogP3-AA	5.7
163427338	Mono_Isotopic_Weight	99.068413911
23496	Hydrogen_Bond_Donor_Count	0
57514051	Mono_Isotopic_Weight	1024.3123164
44462985	Covalent_Unit_Count	1
117891679	Rotatable_Bond_Count	1
25572	Defined_Bond_Stereo_Count	0
23980	Hydrogen_Bond_Acceptor_Count	0
20055121	Exact_Mass	319.10156451
136657690	Total_Formal_Charge	0
22571	Isotope_Atom_Count	0
12309520	Rotatable_Bond_Count	4
71624688	TPSA	67.9
4726	Hydrogen_Bond_Donor_Count	3
4829	Exact_Mass	356.11946368
74724	Covalent_Unit_Count	2
13809010	Defined_Atom_Stereo_Count	0
73172	Exact_Mass	105.032697108
156144	Mono_Isotopic_Weight	340.0269143
78972	Defined_Bond_Stereo_Count	0
91589	Total_Formal_Charge	0
12344722	Molecular_Weight	93.13
5461103	Hydrogen_Bond_Acceptor_Count	5
11625340	Undefined_Atom_Stereo_Count	0
68850055	XLogP3-AA	1.9
54526114	Structure_Complexity	92.7
62545	Defined_Bond_Stereo_Count	0
5288565	Mono_Isotopic_Weight	906.11834383
58883	Hydrogen_Bond_Acceptor_Count	4
2570	Defined_Bond_Stereo_Count	0
16399351	Hydrogen_Bond_Donor_Count	1
10953454	Isotope_Atom_Count	0
73707684	Defined_Atom_Stereo_Count	0
11368	TPSA	61.7
10400	Covalent_Unit_Count	1
4908365	XLogP3-AA	2.3
4362	Non-hydrogen_Atom_Count	9
6430518	Undefined_Bond_Stereo_Count	0
11505	Hydrogen_Bond_Acceptor_Count	1
2758875	XLogP3-AA	0.2
2106897	Molecular_Weight	110.16
5334356	Structure_Complexity	360
55560	Hydrogen_Bond_Acceptor_Count	8
69437	Rotatable_Bond_Count	4
704225	Undefined_Atom_Stereo_Count	0
3049771	Mono_Isotopic_Weight	169.085126602
5523	TPSA	32.7
101605498	XLogP3	1
93702	Exact_Mass	728.0672755
54316592	Non-hydrogen_Atom_Count	8
29935	Mono_Isotopic_Weight	81.057849228
30997	Exact_Mass	203.131014166
11239	XLogP3-AA	2.2
107970	Undefined_Atom_Stereo_Count	0
84072504	Covalent_Unit_Count	1
12715	Mono_Isotopic_Weight	116.094963011
95571	Isotope_Atom_Count	0
5461103	Molecular_Weight	273.28
10129928	Covalent_Unit_Count	1
565424	Isotope_Atom_Count	0
68616	Defined_Bond_Stereo_Count	0
139086359	Isotope_Atom_Count	0
143683872	Defined_Atom_Stereo_Count	0
59567216	Defined_Bond_Stereo_Count	0
129848458	Covalent_Unit_Count	1
5311051	Undefined_Bond_Stereo_Count	0
9855548	Defined_Atom_Stereo_Count	0
20435525	Total_Formal_Charge	1
19527	Total_Formal_Charge	0
55294	Non-hydrogen_Atom_Count	18
71971	TPSA	41.5
25208	Non-hydrogen_Atom_Count	12
11053509	Rotatable_Bond_Count	1
24883424	Undefined_Atom_Stereo_Count	0
9508	Undefined_Bond_Stereo_Count	0
89728	Undefined_Atom_Stereo_Count	0
5918	Defined_Atom_Stereo_Count	0
5281426	Hydrogen_Bond_Donor_Count	1
86821	Undefined_Atom_Stereo_Count	9
71300693	Tautomer_Count	54
13334302	Structure_Complexity	68.8
522002	Undefined_Bond_Stereo_Count	0
16960	Structure_Complexity	249
84647703	Total_Formal_Charge	0
11159621	Defined_Bond_Stereo_Count	0
13195837	Undefined_Atom_Stereo_Count	2
11590255	Total_Formal_Charge	0
20700920	TPSA	20.1
5288811	Undefined_Bond_Stereo_Count	0
20231751	Mono_Isotopic_Weight	160.9560951
19220	Mono_Isotopic_Weight	189.115364102
2733797	TPSA	115
12866541	Hydrogen_Bond_Donor_Count	0
11101	Isotope_Atom_Count	0
7543	Exact_Mass	266.0377538
745	Isotope_Atom_Count	0
40903	Covalent_Unit_Count	1
60196262	Defined_Atom_Stereo_Count	13
85356809	Molecular_Weight	116.11
92374	Undefined_Bond_Stereo_Count	0
95997	Tautomer_Count	2
20933	Isotope_Atom_Count	0
52940915	TPSA	67.9
69994	Molecular_Weight	156.61
78368	Undefined_Atom_Stereo_Count	0
28788	Hydrogen_Bond_Donor_Count	1
61290	TPSA	26.3
442530	Defined_Bond_Stereo_Count	0
6443047	Isotope_Atom_Count	0
1548941	TPSA	70.8
73425066	Undefined_Atom_Stereo_Count	0
637520	Undefined_Bond_Stereo_Count	0
49864603	Mono_Isotopic_Weight	374.1309671
135414420	Mono_Isotopic_Weight	364.04937236
87321867	Defined_Atom_Stereo_Count	0
54684598	Structure_Complexity	502
6387	XLogP3-AA	1.5
67375395	Molecular_Weight	411.5
5194779	Covalent_Unit_Count	1
16074056	Hydrogen_Bond_Donor_Count	2
134692058	Exact_Mass	448.17333247
59295969	Rotatable_Bond_Count	10
3744	Mono_Isotopic_Weight	189.078978594
68953	Mono_Isotopic_Weight	299.97859
49756	Total_Formal_Charge	0
7560	Hydrogen_Bond_Donor_Count	1
23676152	Total_Formal_Charge	0
85364156	Non-hydrogen_Atom_Count	57
5827	Defined_Bond_Stereo_Count	0
66678	Defined_Bond_Stereo_Count	0
62551	Non-hydrogen_Atom_Count	16
14129	Isotope_Atom_Count	0
4368	XLogP3-AA	2.2
199968	Isotope_Atom_Count	0
52112	Mono_Isotopic_Weight	383.01307
140048	Molecular_Weight	120.17
18542107	Undefined_Atom_Stereo_Count	0
675242	Defined_Bond_Stereo_Count	0
31386	XLogP3	2.4
22833389	Non-hydrogen_Atom_Count	30
91820610	Defined_Atom_Stereo_Count	6
73170	Non-hydrogen_Atom_Count	31
15474	Covalent_Unit_Count	2
10328	Defined_Bond_Stereo_Count	0
69337	Tautomer_Count	5
135802074	Mono_Isotopic_Weight	601.1656603
28961	Covalent_Unit_Count	1
12559	Rotatable_Bond_Count	23
74325379	Covalent_Unit_Count	1
121235738	Isotope_Atom_Count	0
72075	Rotatable_Bond_Count	4
264990	Undefined_Bond_Stereo_Count	0
5319706	Structure_Complexity	314
18445434	Isotope_Atom_Count	0
6433110	Structure_Complexity	515
9897412	Undefined_Bond_Stereo_Count	0
76152	Mono_Isotopic_Weight	140.04081944
118574	Covalent_Unit_Count	1
60196430	Total_Formal_Charge	0
12766	Exact_Mass	128.120115130
11977	XLogP3-AA	0.6
4055	Undefined_Atom_Stereo_Count	0
129872	Undefined_Bond_Stereo_Count	0
91664033	Hydrogen_Bond_Donor_Count	30
24961094	Isotope_Atom_Count	0
41839	Mono_Isotopic_Weight	359.0746777
24825265	XLogP3-AA	4.5
82718176	Molecular_Weight	116.16
9102	Total_Formal_Charge	0
65682	Total_Formal_Charge	0
26130	Non-hydrogen_Atom_Count	10
817383	Defined_Bond_Stereo_Count	0
23643976	Defined_Bond_Stereo_Count	0
37642	Tautomer_Count	1
9960389	Molecular_Weight	603.1
60924	Structure_Complexity	293
56658437	Total_Formal_Charge	0
14656672	Mono_Isotopic_Weight	86.048012819
54679076	Undefined_Atom_Stereo_Count	0
133090	Defined_Bond_Stereo_Count	0
12574	Non-hydrogen_Atom_Count	10
141281	Exact_Mass	82.041864811
19602	TPSA	13.1
2723715	Defined_Atom_Stereo_Count	0
46204457	Total_Formal_Charge	0
136808	Mono_Isotopic_Weight	182.109550447
65468	Structure_Complexity	499
3623	XLogP3	1.9
6918146	Defined_Bond_Stereo_Count	0
59043	Molecular_Weight	252.11
22477643	TPSA	39.6
453214	Exact_Mass	456.12677620
6788	Covalent_Unit_Count	1
14799282	Defined_Atom_Stereo_Count	0
616236	Hydrogen_Bond_Acceptor_Count	3
23663409	Molecular_Weight	374.16
11115032	Total_Formal_Charge	0
22879	TPSA	157
9648	Defined_Atom_Stereo_Count	0
71459165	Mono_Isotopic_Weight	292.16879665
12931639	Defined_Bond_Stereo_Count	0
73433376	Molecular_Weight	100.12
10586	Undefined_Bond_Stereo_Count	0
98210	Structure_Complexity	46.8
101142080	Undefined_Bond_Stereo_Count	0
66599893	Tautomer_Count	15
628202	Structure_Complexity	688
12231381	Undefined_Atom_Stereo_Count	1
4668904	Mono_Isotopic_Weight	241.8703672
134715447	Rotatable_Bond_Count	15
20535601	Mono_Isotopic_Weight	113.084063974
54704426	Structure_Complexity	971
47909	Molecular_Weight	350.87
22153558	Hydrogen_Bond_Acceptor_Count	1
71335300	Undefined_Bond_Stereo_Count	0
9076	Undefined_Bond_Stereo_Count	0
69102	Non-hydrogen_Atom_Count	12
661122	Exact_Mass	293.16404563
28166	Total_Formal_Charge	0
49791	Hydrogen_Bond_Donor_Count	3
3843	Isotope_Atom_Count	0
54561127	Structure_Complexity	117
23618458	Molecular_Weight	279.28
30215	Tautomer_Count	1
55299073	Molecular_Weight	113.11
10932	Molecular_Weight	103.12
2406	Defined_Atom_Stereo_Count	0
16221	Mono_Isotopic_Weight	269.308250248
11789150	Hydrogen_Bond_Acceptor_Count	1
101882533	XLogP3-AA	2.7
721137	Exact_Mass	292.0502366
66697936	Rotatable_Bond_Count	0
21932803	Defined_Bond_Stereo_Count	0
12545984	Non-hydrogen_Atom_Count	7
3009355	Undefined_Bond_Stereo_Count	0
24479	Structure_Complexity	2.8
27428	Non-hydrogen_Atom_Count	14
24884488	Defined_Bond_Stereo_Count	0
3716002	Total_Formal_Charge	0
68396089	Non-hydrogen_Atom_Count	8
4412	Mono_Isotopic_Weight	743.07545344
9815689	Hydrogen_Bond_Acceptor_Count	3
20192394	Hydrogen_Bond_Acceptor_Count	3
114946	Total_Formal_Charge	0
91486	Mono_Isotopic_Weight	301.298079487
5462350	TPSA	59
77990	Structure_Complexity	402
12500871	Structure_Complexity	48.1
10909522	Exact_Mass	111.068413911
9884817	Defined_Bond_Stereo_Count	0
69264	Defined_Bond_Stereo_Count	0
4911	Non-hydrogen_Atom_Count	19
59401	Hydrogen_Bond_Acceptor_Count	4
54278701	Defined_Atom_Stereo_Count	0
4357	Non-hydrogen_Atom_Count	17
146684433	Total_Formal_Charge	0
156907991	Covalent_Unit_Count	2
24999143	XLogP3-AA	4.6
24181320	Defined_Bond_Stereo_Count	0
6346	TPSA	0
3331	Undefined_Atom_Stereo_Count	0
4520	Molecular_Weight	176.22
54585373	Isotope_Atom_Count	0
61917	Undefined_Atom_Stereo_Count	2
18616819	XLogP3-AA	1
2442	Total_Formal_Charge	0
6927356	Non-hydrogen_Atom_Count	12
101938021	TPSA	46.5
54688	Structure_Complexity	1190
4118	Hydrogen_Bond_Donor_Count	1
105427022	Molecular_Weight	114.10
5364495	Hydrogen_Bond_Acceptor_Count	1
53846028	Rotatable_Bond_Count	0
31018	Rotatable_Bond_Count	1
17691	Exact_Mass	96.057514874
71342	Total_Formal_Charge	0
24123450	Covalent_Unit_Count	1
83735	Covalent_Unit_Count	1
3021	Undefined_Atom_Stereo_Count	13
12089	Exact_Mass	152.058577502
68304261	Mono_Isotopic_Weight	482.0597731
638051	XLogP3-AA	2.4
5463411	XLogP3-AA	3.6
110373	Total_Formal_Charge	0
72200931	Exact_Mass	459.26813928
23682190	Undefined_Bond_Stereo_Count	0
642376	XLogP3-AA	3.2
18715987	Rotatable_Bond_Count	3
87599626	Hydrogen_Bond_Acceptor_Count	4
140956	Rotatable_Bond_Count	2
330	Undefined_Bond_Stereo_Count	0
15266847	Molecular_Weight	113.11
2776282	Structure_Complexity	525
40839	Defined_Atom_Stereo_Count	9
118010510	Defined_Atom_Stereo_Count	0
6950274	Structure_Complexity	270
18314227	XLogP3-AA	1.2
7473	Non-hydrogen_Atom_Count	10
651720	Total_Formal_Charge	0
3941	Structure_Complexity	357
2812	Mono_Isotopic_Weight	344.1080262
77050711	Hydrogen_Bond_Acceptor_Count	13
87323627	Non-hydrogen_Atom_Count	8
20782688	Covalent_Unit_Count	1
2724163	Defined_Atom_Stereo_Count	0
12277679	Defined_Bond_Stereo_Count	0
91942	Rotatable_Bond_Count	5
64709	Undefined_Bond_Stereo_Count	0
18622350	TPSA	35.3
87386545	Covalent_Unit_Count	1
82464	Defined_Atom_Stereo_Count	0
139089144	Undefined_Bond_Stereo_Count	0
22628836	Non-hydrogen_Atom_Count	8
9936746	Molecular_Weight	492.0
454202	Tautomer_Count	2
90936519	Mono_Isotopic_Weight	1201.84136802
117186636	Covalent_Unit_Count	1
6075	Defined_Atom_Stereo_Count	0
16240279	Undefined_Atom_Stereo_Count	0
17799937	Molecular_Weight	98.15
83437	XLogP3	1.4
7862	Defined_Atom_Stereo_Count	0
688303	Hydrogen_Bond_Donor_Count	0
46244259	Total_Formal_Charge	0
289460	Hydrogen_Bond_Acceptor_Count	4
4110039	Exact_Mass	132.00096561
144686955	TPSA	190
53477948	Hydrogen_Bond_Donor_Count	1
59277791	Hydrogen_Bond_Acceptor_Count	2
160138	Undefined_Bond_Stereo_Count	0
7647	Defined_Bond_Stereo_Count	0
45359105	Defined_Atom_Stereo_Count	0
2804997	XLogP3-AA	5.5
24808	Structure_Complexity	8
75197	Exact_Mass	256.08030146
16722832	XLogP3-AA	4.2
77342	Rotatable_Bond_Count	0
65490	Covalent_Unit_Count	1
21604849	Exact_Mass	110.073164938
85515	Hydrogen_Bond_Acceptor_Count	3
95902	Mono_Isotopic_Weight	286.10659032
7747	Hydrogen_Bond_Acceptor_Count	3
57400037	Exact_Mass	434.05538
129638548	Rotatable_Bond_Count	0
44237094	XLogP3-AA	3.1
83717	Covalent_Unit_Count	1
44456	Structure_Complexity	305
11895	Molecular_Weight	170.59
4560	TPSA	20.2
115260	Rotatable_Bond_Count	10
45356963	Total_Formal_Charge	0
20838085	Exact_Mass	541.22465702
12206947	Rotatable_Bond_Count	0
18798586	Exact_Mass	112.125200510
16119814	Undefined_Atom_Stereo_Count	0
11194160	XLogP3-AA	7.5
60196286	Isotope_Atom_Count	0
9366	Undefined_Bond_Stereo_Count	0
3178	Isotope_Atom_Count	0
135570470	Hydrogen_Bond_Acceptor_Count	16
11345692	Total_Formal_Charge	0
26318	Hydrogen_Bond_Acceptor_Count	0
1550888	Structure_Complexity	331
4248	Defined_Bond_Stereo_Count	0
25094630	Covalent_Unit_Count	1
44392167	Undefined_Atom_Stereo_Count	0
92140	Undefined_Atom_Stereo_Count	0
66972027	Isotope_Atom_Count	0
137117239	Molecular_Weight	835.0
68210	Total_Formal_Charge	0
135403805	Rotatable_Bond_Count	3
656629	Defined_Atom_Stereo_Count	4
225674	Exact_Mass	220.100048391
15174589	Covalent_Unit_Count	1
5351489	Rotatable_Bond_Count	2
18032	Exact_Mass	322.05652664
64337	Hydrogen_Bond_Donor_Count	2
9807	Hydrogen_Bond_Donor_Count	0
31364	Structure_Complexity	205
18593	TPSA	60.2
129628202	Structure_Complexity	1040
21698764	Non-hydrogen_Atom_Count	8
5067511	Tautomer_Count	1
5112745	Non-hydrogen_Atom_Count	17
667550	Defined_Atom_Stereo_Count	1
89708952	Non-hydrogen_Atom_Count	8
15110004	Rotatable_Bond_Count	4
21930509	Hydrogen_Bond_Donor_Count	1
12285892	Undefined_Bond_Stereo_Count	0
21584701	XLogP3-AA	3
67486	Structure_Complexity	193
63089348	Total_Formal_Charge	0
148184759	Undefined_Bond_Stereo_Count	0
13155711	Defined_Atom_Stereo_Count	0
12271346	XLogP3-AA	1.3
68868	TPSA	80.7
104556	Mono_Isotopic_Weight	219.15829154
57557625	Defined_Bond_Stereo_Count	5
2816486	Isotope_Atom_Count	0
532293	Mono_Isotopic_Weight	229.9901349
13661	Non-hydrogen_Atom_Count	13
10245972	Defined_Bond_Stereo_Count	4
40326	Rotatable_Bond_Count	7
153751	Undefined_Atom_Stereo_Count	0
8969	Molecular_Weight	354.4
14028582	Undefined_Bond_Stereo_Count	0
1111	Non-hydrogen_Atom_Count	55
35901875	Rotatable_Bond_Count	3
115236	Undefined_Atom_Stereo_Count	0
2710	Exact_Mass	300.1393264
131634493	Hydrogen_Bond_Acceptor_Count	35
71718495	Rotatable_Bond_Count	13
674917	Defined_Bond_Stereo_Count	0
11510932	Molecular_Weight	461.4
18387331	Non-hydrogen_Atom_Count	7
6484	Undefined_Bond_Stereo_Count	0
642325	Covalent_Unit_Count	1
5460263	Undefined_Bond_Stereo_Count	0
135398558	Rotatable_Bond_Count	7
240534	Rotatable_Bond_Count	4
71355988	Defined_Bond_Stereo_Count	0
76285	Mono_Isotopic_Weight	459.658166
79964	Covalent_Unit_Count	1
22636790	Undefined_Bond_Stereo_Count	0
164550	Tautomer_Count	3
77232	Undefined_Atom_Stereo_Count	0
92443	TPSA	75.6
12082850	Undefined_Bond_Stereo_Count	0
641001	Defined_Atom_Stereo_Count	0
12885790	Structure_Complexity	101
14459015	Hydrogen_Bond_Acceptor_Count	5
2898	XLogP3-AA	5.5
454216	Undefined_Bond_Stereo_Count	0
9964	TPSA	26
129635886	Hydrogen_Bond_Donor_Count	3
1221	Covalent_Unit_Count	1
5282484	Hydrogen_Bond_Donor_Count	2
22170247	Isotope_Atom_Count	0
15820984	TPSA	80.3
638071	Isotope_Atom_Count	0
6438376	TPSA	135
649153	Rotatable_Bond_Count	10
57516744	Undefined_Atom_Stereo_Count	0
89076189	Non-hydrogen_Atom_Count	8
443939	Isotope_Atom_Count	0
13123887	Total_Formal_Charge	0
6437405	Covalent_Unit_Count	1
4944	TPSA	47.6
53787407	Total_Formal_Charge	0
124744578	Molecular_Weight	843.1
7734	XLogP3-AA	3.5
3449165	Covalent_Unit_Count	1
20138	Covalent_Unit_Count	1
56627	Hydrogen_Bond_Acceptor_Count	8
17541	Hydrogen_Bond_Donor_Count	0
79013	Molecular_Weight	478.7
10241280	Structure_Complexity	222
5481350	Covalent_Unit_Count	1
446576	Defined_Bond_Stereo_Count	0
16247	Undefined_Atom_Stereo_Count	0
5361467	Non-hydrogen_Atom_Count	35
726370	Defined_Atom_Stereo_Count	0
78035	Molecular_Weight	83.09
373077	Rotatable_Bond_Count	0
11184839	Defined_Atom_Stereo_Count	0
63181514	Defined_Bond_Stereo_Count	0
20431673	Covalent_Unit_Count	1
5353897	Defined_Bond_Stereo_Count	1
94402	Total_Formal_Charge	0
135802074	TPSA	226
19816653	Isotope_Atom_Count	0
12287	Defined_Atom_Stereo_Count	0
33547	Undefined_Bond_Stereo_Count	0
23974	Undefined_Bond_Stereo_Count	0
22286946	Undefined_Atom_Stereo_Count	1
701038	Mono_Isotopic_Weight	318.00039
11029756	Total_Formal_Charge	0
20323	TPSA	122
77287	Hydrogen_Bond_Acceptor_Count	1
12210512	Total_Formal_Charge	0
99058	Tautomer_Count	10
89976681	Defined_Bond_Stereo_Count	0
60196372	Mono_Isotopic_Weight	217.977562
12214987	TPSA	0
35384	Defined_Atom_Stereo_Count	0
53316393	Hydrogen_Bond_Acceptor_Count	5
46437	Hydrogen_Bond_Acceptor_Count	1
20583864	Defined_Atom_Stereo_Count	0
77763	Hydrogen_Bond_Donor_Count	1
71777706	Undefined_Atom_Stereo_Count	0
53835394	Non-hydrogen_Atom_Count	8
9841075	Hydrogen_Bond_Acceptor_Count	4
1211	Defined_Bond_Stereo_Count	0
8523	TPSA	23.6
9901	Exact_Mass	312.208930132
130124970	Structure_Complexity	110
59194207	XLogP3-AA	0.7
6916033	Structure_Complexity	457
79161	Hydrogen_Bond_Acceptor_Count	3
87869	Exact_Mass	288.0444070
53320169	Covalent_Unit_Count	1
129	Defined_Atom_Stereo_Count	0
16102855	Structure_Complexity	984
695341	Structure_Complexity	218
25273227	XLogP3-AA	2.7
83735	Hydrogen_Bond_Donor_Count	2
6386	Structure_Complexity	25.1
12434511	Hydrogen_Bond_Acceptor_Count	2
3686723	Rotatable_Bond_Count	0
142994149	Isotope_Atom_Count	0
152943	Undefined_Bond_Stereo_Count	0
9985579	Rotatable_Bond_Count	11
3351	Mono_Isotopic_Weight	388.1189848
25227436	Defined_Bond_Stereo_Count	0
403016	Non-hydrogen_Atom_Count	32
69528681	Total_Formal_Charge	0
57398258	Defined_Bond_Stereo_Count	0
19935256	Exact_Mass	99.043261792
17586	TPSA	9.2
61060	Defined_Atom_Stereo_Count	3
7800	Non-hydrogen_Atom_Count	16
133021	Exact_Mass	379.1339066
143686076	TPSA	12
103023	Undefined_Atom_Stereo_Count	3
53627566	Hydrogen_Bond_Donor_Count	0
87703	Total_Formal_Charge	0
93357	Isotope_Atom_Count	0
24867454	Mono_Isotopic_Weight	649.7822
2825062	Mono_Isotopic_Weight	638.09720
21917311	Structure_Complexity	293
62810	Undefined_Atom_Stereo_Count	0
6437358	Molecular_Weight	625.7
163640634	Structure_Complexity	118
54106053	Molecular_Weight	114.14
22081030	Isotope_Atom_Count	0
10902277	Undefined_Bond_Stereo_Count	0
6440556	Exact_Mass	449.1005556
60196375	Hydrogen_Bond_Acceptor_Count	11
110835	Non-hydrogen_Atom_Count	46
10113	Hydrogen_Bond_Donor_Count	2
11208	Exact_Mass	72.057514874
68044	Total_Formal_Charge	0
46174070	Exact_Mass	1352.5732147
18213	Total_Formal_Charge	0
10406	Defined_Bond_Stereo_Count	0
11540045	XLogP3-AA	5.8
32816	Structure_Complexity	144
21932619	Undefined_Atom_Stereo_Count	4
25110841	Isotope_Atom_Count	0
1792	Defined_Bond_Stereo_Count	0
20587	Rotatable_Bond_Count	5
66359	Undefined_Atom_Stereo_Count	0
11635763	Isotope_Atom_Count	0
43146	Exact_Mass	251.131014166
130152397	Exact_Mass	112.052429494
90498	Isotope_Atom_Count	0
84078	Rotatable_Bond_Count	8
36933	Structure_Complexity	320
19989301	Defined_Bond_Stereo_Count	0
13019068	Non-hydrogen_Atom_Count	30
71583604	Rotatable_Bond_Count	5
6189	Structure_Complexity	635
26865	Structure_Complexity	98.6
54681041	Molecular_Weight	585.6
127657	Defined_Atom_Stereo_Count	0
1377	Defined_Atom_Stereo_Count	0
49865972	Undefined_Atom_Stereo_Count	0
9956119	Undefined_Bond_Stereo_Count	0
11029783	Defined_Bond_Stereo_Count	0
91419082	Undefined_Bond_Stereo_Count	0
23725051	Molecular_Weight	291.8
43331	TPSA	50.8
3045335	Defined_Atom_Stereo_Count	0
157690	Isotope_Atom_Count	0
6918678	Exact_Mass	361.12738533
5353355	Undefined_Bond_Stereo_Count	0
12302681	Structure_Complexity	382
201990	TPSA	28.7
73265408	Undefined_Bond_Stereo_Count	5
11304743	Molecular_Weight	422.4
70299	Defined_Bond_Stereo_Count	0
131750287	Hydrogen_Bond_Acceptor_Count	9
8283	Covalent_Unit_Count	1
54267	Non-hydrogen_Atom_Count	5
71587953	Isotope_Atom_Count	0
159627	Exact_Mass	279.98876
124770287	Hydrogen_Bond_Donor_Count	7
12200728	Defined_Bond_Stereo_Count	0
339079	Undefined_Atom_Stereo_Count	0
124069	Defined_Atom_Stereo_Count	0
71622657	Exact_Mass	304.157563266
13318273	Hydrogen_Bond_Donor_Count	0
6922965	Hydrogen_Bond_Acceptor_Count	1
2551	Structure_Complexity	117
6918840	Defined_Bond_Stereo_Count	0
9899007	Total_Formal_Charge	0
447213	Undefined_Atom_Stereo_Count	0
11256587	Tautomer_Count	42
34327	Total_Formal_Charge	0
16231	Covalent_Unit_Count	1
14184222	Covalent_Unit_Count	1
2782	Undefined_Atom_Stereo_Count	0
169607	Undefined_Atom_Stereo_Count	0
3180466	Exact_Mass	468.21614077
54144903	Molecular_Weight	101.15
23519825	Mono_Isotopic_Weight	381.0484802
911	Exact_Mass	177.04596439
101640759	Defined_Atom_Stereo_Count	0
11228764	Defined_Bond_Stereo_Count	0
66532	Hydrogen_Bond_Donor_Count	0
642792	Hydrogen_Bond_Donor_Count	0
54761305	XLogP3-AA	2.6
75577315	Mono_Isotopic_Weight	116.047344113
223866	Exact_Mass	408.20490738
45437	Total_Formal_Charge	0
7157007	Structure_Complexity	151
5970	Hydrogen_Bond_Donor_Count	2
8888	Hydrogen_Bond_Acceptor_Count	1
136257761	Molecular_Weight	252.70
5289388	Isotope_Atom_Count	0
443928	Mono_Isotopic_Weight	434.21046687
143780	Structure_Complexity	63.4
53737754	Exact_Mass	118.02660867
91824751	Hydrogen_Bond_Acceptor_Count	7
53786721	Rotatable_Bond_Count	0
70734	Non-hydrogen_Atom_Count	9
19017814	Rotatable_Bond_Count	2
184934	Defined_Atom_Stereo_Count	0
13000487	Defined_Bond_Stereo_Count	0
5288615	XLogP3-AA	1.6
86784	Structure_Complexity	85
444797	Isotope_Atom_Count	0
86585	Undefined_Bond_Stereo_Count	1
67258371	Rotatable_Bond_Count	0
2542	XLogP3-AA	6.3
776222	Total_Formal_Charge	0
10920441	Total_Formal_Charge	0
10975422	Undefined_Bond_Stereo_Count	0
57461868	Defined_Bond_Stereo_Count	0
98416	Isotope_Atom_Count	0
57395178	Hydrogen_Bond_Donor_Count	0
134693946	TPSA	180
5282109	Undefined_Bond_Stereo_Count	0
984821	Mono_Isotopic_Weight	395.13688739
130114929	Defined_Atom_Stereo_Count	0
3084101	Rotatable_Bond_Count	0
55285230	Non-hydrogen_Atom_Count	8
58913258	Rotatable_Bond_Count	1
71464685	Exact_Mass	478.24274944
135596593	Hydrogen_Bond_Acceptor_Count	14
53956489	Covalent_Unit_Count	1
20433	TPSA	63.5
517277	Rotatable_Bond_Count	0
133923	Tautomer_Count	1
123392765	Exact_Mass	363.19467705
135975	Structure_Complexity	413
670359	Structure_Complexity	434
17195	Non-hydrogen_Atom_Count	26
22646212	Undefined_Bond_Stereo_Count	0
26124	Undefined_Atom_Stereo_Count	0
14416506	Total_Formal_Charge	0
156588466	Non-hydrogen_Atom_Count	44
431630	Defined_Bond_Stereo_Count	0
4534	Hydrogen_Bond_Acceptor_Count	4
22170205	Hydrogen_Bond_Acceptor_Count	5
68790	Defined_Atom_Stereo_Count	0
7146283	Hydrogen_Bond_Acceptor_Count	6
17811	Undefined_Bond_Stereo_Count	0
7507	Exact_Mass	114.104465066
72200758	Hydrogen_Bond_Donor_Count	3
2215	Rotatable_Bond_Count	0
9433	Exact_Mass	420.19819929
13463260	Isotope_Atom_Count	0
12669677	Hydrogen_Bond_Donor_Count	0
7172	Undefined_Atom_Stereo_Count	1
21895922	Rotatable_Bond_Count	0
87963836	Structure_Complexity	113
54368808	Exact_Mass	109.052763847
71482	Molecular_Weight	324.68
50317	Hydrogen_Bond_Acceptor_Count	2
12339648	Covalent_Unit_Count	1
5282437	Structure_Complexity	1060
5353593	Defined_Bond_Stereo_Count	1
22875828	Isotope_Atom_Count	0
31336	TPSA	71.1
11088	Defined_Atom_Stereo_Count	0
54193461	Hydrogen_Bond_Donor_Count	0
130589021	Rotatable_Bond_Count	2
57869404	Defined_Atom_Stereo_Count	0
48306	XLogP3-AA	5.3
80779	Non-hydrogen_Atom_Count	13
59646	Defined_Atom_Stereo_Count	0
135413553	Non-hydrogen_Atom_Count	21
23681141	Total_Formal_Charge	0
139062042	Defined_Atom_Stereo_Count	1
65970	TPSA	138
12240	Exact_Mass	116.120115130
23422066	TPSA	60.8
9549326	Covalent_Unit_Count	1
36159	Covalent_Unit_Count	1
534688	Undefined_Bond_Stereo_Count	0
154	Exact_Mass	313.06750147
9400	Total_Formal_Charge	0
11523	Tautomer_Count	1
9839657	Rotatable_Bond_Count	3
44560911	Structure_Complexity	462
6062	Undefined_Bond_Stereo_Count	0
85991	Defined_Bond_Stereo_Count	0
22660	Hydrogen_Bond_Donor_Count	1
82131	Exact_Mass	213.96294
6364626	Undefined_Atom_Stereo_Count	0
7898	Undefined_Bond_Stereo_Count	0
19549	Non-hydrogen_Atom_Count	13
3052775	Defined_Bond_Stereo_Count	0
124220089	Undefined_Bond_Stereo_Count	0
59111489	Undefined_Atom_Stereo_Count	6
1140	Hydrogen_Bond_Acceptor_Count	0
152119	Hydrogen_Bond_Acceptor_Count	4
85859899	XLogP3-AA	0
76964236	Exact_Mass	628.13394
57564	Defined_Bond_Stereo_Count	0
638132	Covalent_Unit_Count	1
10239769	Rotatable_Bond_Count	14
6102820	Rotatable_Bond_Count	3
408763	Isotope_Atom_Count	0
71273	Defined_Bond_Stereo_Count	0
2073	Total_Formal_Charge	0
11907	Isotope_Atom_Count	0
20632752	Rotatable_Bond_Count	4
12193680	Covalent_Unit_Count	1
11261	Rotatable_Bond_Count	2
25150	Isotope_Atom_Count	0
31390	Undefined_Atom_Stereo_Count	0
4228493	Mono_Isotopic_Weight	118.0185425
121513955	XLogP3-AA	4.3
117814470	Molecular_Weight	212.13
97171	Covalent_Unit_Count	1
23716436	Defined_Atom_Stereo_Count	0
9886086	Covalent_Unit_Count	1
140203	Molecular_Weight	274.44
67375395	TPSA	103
54069261	Defined_Atom_Stereo_Count	0
53232451	Mono_Isotopic_Weight	355.13569983
177700	Covalent_Unit_Count	1
32742	Molecular_Weight	114.14
55298701	Hydrogen_Bond_Acceptor_Count	2
69852	Non-hydrogen_Atom_Count	10
5271569	Molecular_Weight	228.28
25273647	Covalent_Unit_Count	1
22934413	Non-hydrogen_Atom_Count	8
23392960	Undefined_Bond_Stereo_Count	0
67962	Undefined_Bond_Stereo_Count	0
9870652	XLogP3-AA	3.5
126011	Isotope_Atom_Count	0
3315	Molecular_Weight	872.9
24603	Covalent_Unit_Count	1
97050130	Covalent_Unit_Count	1
415984	Defined_Bond_Stereo_Count	0
7222	TPSA	41.1
63333521	Undefined_Atom_Stereo_Count	1
136183544	Rotatable_Bond_Count	4
566455	Covalent_Unit_Count	1
5702114	Defined_Bond_Stereo_Count	0
4135	XLogP3-AA	7.1
122445050	TPSA	116
14078847	Total_Formal_Charge	0
5475462	Exact_Mass	153.151749610
21087	Molecular_Weight	294.4
15950376	XLogP3-AA	3.8
3829279	Rotatable_Bond_Count	3
6602154	Total_Formal_Charge	0
8187	Defined_Bond_Stereo_Count	0
15541	TPSA	130
6436015	Hydrogen_Bond_Donor_Count	0
7847	Molecular_Weight	56.06
20514191	Rotatable_Bond_Count	0
70400	Molecular_Weight	242.1
135920954	Total_Formal_Charge	0
4206	Defined_Bond_Stereo_Count	0
9548637	Molecular_Weight	406.5
3349	Rotatable_Bond_Count	1
101250074	TPSA	118
9537	Hydrogen_Bond_Acceptor_Count	2
20314	Hydrogen_Bond_Acceptor_Count	3
505	Rotatable_Bond_Count	5
43436603	TPSA	44
68321915	Isotope_Atom_Count	0
195	Isotope_Atom_Count	0
50023	TPSA	62.8
123413	Mono_Isotopic_Weight	114.104465066
25245437	Molecular_Weight	688.7
3039	Defined_Bond_Stereo_Count	0
143686076	Defined_Bond_Stereo_Count	0
71115	Hydrogen_Bond_Acceptor_Count	2
117188816	Mono_Isotopic_Weight	113.058911855
9043	Undefined_Bond_Stereo_Count	0
5702609	Undefined_Bond_Stereo_Count	0
16213698	Defined_Atom_Stereo_Count	18
12746	Defined_Atom_Stereo_Count	0
10131269	Defined_Bond_Stereo_Count	0
225	Exact_Mass	290.224580195
129694674	Molecular_Weight	166.2
129858308	Mono_Isotopic_Weight	270.07529019
13003479	Total_Formal_Charge	0
72764	Tautomer_Count	2
9849490	Isotope_Atom_Count	0
147097491	Hydrogen_Bond_Donor_Count	0
154518370	Hydrogen_Bond_Acceptor_Count	0
57121306	Mono_Isotopic_Weight	100.052429494
54676715	Non-hydrogen_Atom_Count	18
21778241	Undefined_Atom_Stereo_Count	0
13317841	TPSA	37.3
3050	Undefined_Bond_Stereo_Count	0
5251896	Exact_Mass	303.19467705
53808	Structure_Complexity	300
657378	XLogP3	0.9
129747104	Defined_Bond_Stereo_Count	0
20614524	Hydrogen_Bond_Acceptor_Count	2
664081	Undefined_Bond_Stereo_Count	0
698716	Undefined_Bond_Stereo_Count	0
13245711	Rotatable_Bond_Count	0
50983	Defined_Bond_Stereo_Count	0
135705228	Total_Formal_Charge	0
1522	Undefined_Bond_Stereo_Count	0
79037	Mono_Isotopic_Weight	125.120449483
9526	Hydrogen_Bond_Acceptor_Count	6
11786594	Hydrogen_Bond_Donor_Count	2
8720	Mono_Isotopic_Weight	176.92948127
23121765	Defined_Atom_Stereo_Count	0
529269	Covalent_Unit_Count	1
11594966	Defined_Atom_Stereo_Count	0
53316138	Exact_Mass	616.34721450
71449858	Defined_Bond_Stereo_Count	0
9936	Exact_Mass	251.01539010
9168	Undefined_Bond_Stereo_Count	0
2728077	Exact_Mass	215.094628657
3081362	Undefined_Atom_Stereo_Count	0
10378638	Covalent_Unit_Count	1
154214	Defined_Bond_Stereo_Count	0
129796414	Hydrogen_Bond_Donor_Count	0
736	Hydrogen_Bond_Acceptor_Count	6
16682935	Structure_Complexity	205
99451	Structure_Complexity	182
21579141	Total_Formal_Charge	0
150748	Hydrogen_Bond_Donor_Count	0
11908385	Exact_Mass	342.11621151
56638112	Defined_Atom_Stereo_Count	0
67085	Hydrogen_Bond_Acceptor_Count	2
94617	Undefined_Bond_Stereo_Count	0
3068840	Undefined_Bond_Stereo_Count	0
11417	Mono_Isotopic_Weight	107.073499291
19918	Hydrogen_Bond_Donor_Count	0
441244	Hydrogen_Bond_Acceptor_Count	6
42993	Undefined_Bond_Stereo_Count	0
12245594	Undefined_Bond_Stereo_Count	0
20270668	Hydrogen_Bond_Acceptor_Count	1
44135711	Isotope_Atom_Count	0
17275	Hydrogen_Bond_Acceptor_Count	2
12218316	Molecular_Weight	287.4
398513	Defined_Bond_Stereo_Count	0
55285271	Covalent_Unit_Count	1
71541189	Total_Formal_Charge	0
14415253	Undefined_Bond_Stereo_Count	0
68737	Rotatable_Bond_Count	2
163640634	Isotope_Atom_Count	0
16211333	Isotope_Atom_Count	0
23991	Rotatable_Bond_Count	0
518900	Undefined_Atom_Stereo_Count	0
61900360	Exact_Mass	113.058911855
6992027	Hydrogen_Bond_Acceptor_Count	7
135449284	Undefined_Atom_Stereo_Count	3
54746485	Hydrogen_Bond_Donor_Count	7
66684067	Undefined_Atom_Stereo_Count	1
45120308	Defined_Bond_Stereo_Count	0
8551	Structure_Complexity	532
51138321	Molecular_Weight	106.13
6441094	Exact_Mass	1041.58722955
11469444	Rotatable_Bond_Count	1
91599597	Exact_Mass	110.109550447
135499741	Mono_Isotopic_Weight	115.038176411
53319416	Defined_Atom_Stereo_Count	0
43636	XLogP3-AA	6.1
23433606	Defined_Atom_Stereo_Count	0
80642	Tautomer_Count	1
67317342	Isotope_Atom_Count	0
14434846	Undefined_Bond_Stereo_Count	0
97120	Molecular_Weight	255.40
55287187	Hydrogen_Bond_Donor_Count	1
62923	Undefined_Bond_Stereo_Count	0
3527810	Defined_Atom_Stereo_Count	0
1549004	Isotope_Atom_Count	0
2825062	Non-hydrogen_Atom_Count	41
87262	Total_Formal_Charge	0
526739	Exact_Mass	244.20384475
69787	Undefined_Atom_Stereo_Count	0
546946	Hydrogen_Bond_Donor_Count	0
10313457	Structure_Complexity	72.1
24826799	Total_Formal_Charge	0
260913	Non-hydrogen_Atom_Count	8
23725063	Defined_Bond_Stereo_Count	0
7495	Covalent_Unit_Count	1
121410806	Structure_Complexity	746
10630437	Total_Formal_Charge	0
19349372	Exact_Mass	85.089149355
257	Total_Formal_Charge	0
138378	Total_Formal_Charge	0
441397	Hydrogen_Bond_Acceptor_Count	9
3246605	Structure_Complexity	398
9793707	Molecular_Weight	102.09
2732	Structure_Complexity	564
12519677	Molecular_Weight	111.14
12644714	Mono_Isotopic_Weight	112.052429494
13333	Molecular_Weight	358.4
124427925	Covalent_Unit_Count	1
140	Isotope_Atom_Count	0
20056587	Undefined_Bond_Stereo_Count	0
90818	Defined_Atom_Stereo_Count	0
146887978	Undefined_Atom_Stereo_Count	1
5256168	Exact_Mass	111.96527171
54032194	Covalent_Unit_Count	1
24746982	XLogP3-AA	3.3
71406	Isotope_Atom_Count	0
135565884	Defined_Atom_Stereo_Count	1
103439991	Non-hydrogen_Atom_Count	7
155290	Covalent_Unit_Count	2
11544170	Defined_Atom_Stereo_Count	0
8655	Isotope_Atom_Count	0
3085389	Rotatable_Bond_Count	6
517441	Total_Formal_Charge	0
20093437	Covalent_Unit_Count	1
5326159	Undefined_Bond_Stereo_Count	0
20264925	Hydrogen_Bond_Acceptor_Count	2
11670	Covalent_Unit_Count	1
139243814	Exact_Mass	80.053659862
144179158	Defined_Bond_Stereo_Count	0
119096546	Hydrogen_Bond_Acceptor_Count	3
3042	Hydrogen_Bond_Donor_Count	0
87081618	Defined_Bond_Stereo_Count	0
673845	Rotatable_Bond_Count	3
270010	Undefined_Atom_Stereo_Count	0
24848068	Undefined_Bond_Stereo_Count	0
5284506	Non-hydrogen_Atom_Count	13
1712058	Hydrogen_Bond_Donor_Count	0
57394	Total_Formal_Charge	0
87293	Molecular_Weight	193.24
5635	Non-hydrogen_Atom_Count	24
13149570	Non-hydrogen_Atom_Count	8
520216	Isotope_Atom_Count	0
91408842	Total_Formal_Charge	0
975	Hydrogen_Bond_Acceptor_Count	16
5353593	Total_Formal_Charge	0
391	Non-hydrogen_Atom_Count	21
76126	Hydrogen_Bond_Donor_Count	0
61080	Hydrogen_Bond_Donor_Count	5
61524	Defined_Bond_Stereo_Count	0
83150	Hydrogen_Bond_Donor_Count	2
25324	Structure_Complexity	212
445892	Rotatable_Bond_Count	2
16202184	Undefined_Atom_Stereo_Count	0
398633	XLogP3-AA	4.2
163988282	Non-hydrogen_Atom_Count	8
3300	Defined_Atom_Stereo_Count	0
6509808	TPSA	135
24197462	Undefined_Bond_Stereo_Count	0
12599713	Undefined_Atom_Stereo_Count	2
64781	Defined_Bond_Stereo_Count	0
54460807	XLogP3-AA	1.3
53311	Undefined_Atom_Stereo_Count	0
22038	Undefined_Atom_Stereo_Count	2
12591942	Rotatable_Bond_Count	1
6913	Hydrogen_Bond_Acceptor_Count	1
140659510	Defined_Bond_Stereo_Count	0
14670	Non-hydrogen_Atom_Count	20
3906961	Undefined_Bond_Stereo_Count	0
8005	Exact_Mass	92.0392780
8862	Defined_Bond_Stereo_Count	0
13388323	Defined_Atom_Stereo_Count	0
54166403	Covalent_Unit_Count	1
4447605	Hydrogen_Bond_Acceptor_Count	3
71679077	Rotatable_Bond_Count	6
24458	Rotatable_Bond_Count	0
12955	Undefined_Bond_Stereo_Count	0
11457	Tautomer_Count	1
25050	Defined_Bond_Stereo_Count	0
59966648	Undefined_Atom_Stereo_Count	2
3598879	Hydrogen_Bond_Donor_Count	1
4655	TPSA	32.3
62539	TPSA	34.1
71567	Rotatable_Bond_Count	3
49864603	Rotatable_Bond_Count	6
160244305	Defined_Atom_Stereo_Count	12
85328	Defined_Bond_Stereo_Count	0
21702831	Undefined_Bond_Stereo_Count	0
66082	Total_Formal_Charge	0
58054368	Structure_Complexity	911
12248306	Structure_Complexity	101
33899	Total_Formal_Charge	0
57398329	Hydrogen_Bond_Donor_Count	1
87212	Undefined_Bond_Stereo_Count	0
11953895	Structure_Complexity	119
518818	Hydrogen_Bond_Donor_Count	0
70689351	Tautomer_Count	9
11657	Non-hydrogen_Atom_Count	4
143291	Hydrogen_Bond_Donor_Count	2
5311167	Total_Formal_Charge	0
53895224	Isotope_Atom_Count	0
6328648	TPSA	0
68510675	Non-hydrogen_Atom_Count	16
749	Mono_Isotopic_Weight	434.23113938
3074827	Molecular_Weight	256.34
18327808	Defined_Atom_Stereo_Count	0
11717831	Undefined_Bond_Stereo_Count	0
71624686	Mono_Isotopic_Weight	386.0968101
4097	Undefined_Bond_Stereo_Count	0
665063	Covalent_Unit_Count	1
71517698	TPSA	125
53389094	TPSA	74.6
12406682	Molecular_Weight	79.10
6437648	XLogP3-AA	4.9
44578615	TPSA	108
31393	Hydrogen_Bond_Acceptor_Count	1
4529	Exact_Mass	750.45542754
88464430	Structure_Complexity	80.5
67718	Isotope_Atom_Count	0
19382908	Rotatable_Bond_Count	2
67626	Structure_Complexity	261
7707	Defined_Atom_Stereo_Count	0
91480910	Defined_Bond_Stereo_Count	0
86063	Exact_Mass	183.06439116
10678204	Hydrogen_Bond_Donor_Count	1
16685015	Mono_Isotopic_Weight	533.77790
139066803	Defined_Atom_Stereo_Count	0
220164	Covalent_Unit_Count	1
527111	Rotatable_Bond_Count	3
6375	Structure_Complexity	27.5
8156	Hydrogen_Bond_Donor_Count	0
1969	Tautomer_Count	1
13373005	Molecular_Weight	434.4
18718394	Mono_Isotopic_Weight	88.016043985
5320547	Structure_Complexity	255
13140195	Defined_Atom_Stereo_Count	0
45266598	Undefined_Atom_Stereo_Count	0
2723877	Total_Formal_Charge	0
86510	Hydrogen_Bond_Donor_Count	0
54686186	Isotope_Atom_Count	0
115227	TPSA	70.2
226147	Covalent_Unit_Count	1
141330	Defined_Atom_Stereo_Count	0
69871	Mono_Isotopic_Weight	177.00376279
158691271	Exact_Mass	110.059246208
17959664	TPSA	53.8
233706	Defined_Atom_Stereo_Count	2
9010	Hydrogen_Bond_Acceptor_Count	9
15267068	Structure_Complexity	103
9578507	TPSA	155
62823	Undefined_Atom_Stereo_Count	1
81110	Hydrogen_Bond_Donor_Count	0
610161	Defined_Atom_Stereo_Count	0
53402099	Defined_Bond_Stereo_Count	0
94021	Undefined_Bond_Stereo_Count	0
11351021	Undefined_Atom_Stereo_Count	0
67431	Defined_Atom_Stereo_Count	0
121494085	Structure_Complexity	2420
656909	Exact_Mass	308.16574516
58645448	TPSA	20.2
10775	Defined_Bond_Stereo_Count	0
46205408	Exact_Mass	599.29551328
11497836	Defined_Bond_Stereo_Count	0
30131	Total_Formal_Charge	0
22506613	Total_Formal_Charge	0
306131	TPSA	63.3
44627	Hydrogen_Bond_Acceptor_Count	3
439352	Total_Formal_Charge	0
8843	Mono_Isotopic_Weight	152.120115130
91223	Isotope_Atom_Count	0
10909503	Molecular_Weight	100.16
70620	Hydrogen_Bond_Donor_Count	0
142210	Rotatable_Bond_Count	0
2684	XLogP3-AA	1.5
21205308	Undefined_Bond_Stereo_Count	0
156599244	Undefined_Bond_Stereo_Count	1
57400316	TPSA	129
72187527	TPSA	101
3033832	Covalent_Unit_Count	2
22805729	Structure_Complexity	621
11752	Undefined_Atom_Stereo_Count	0
116821924	Molecular_Weight	99.17
83403	Total_Formal_Charge	0
66727	Tautomer_Count	1
19354187	Structure_Complexity	91.9
5366258	Exact_Mass	170.167065321
54607635	TPSA	183
16726630	TPSA	86
5479527	Hydrogen_Bond_Donor_Count	3
529031	Covalent_Unit_Count	1
89440	Undefined_Bond_Stereo_Count	0
23729666	Total_Formal_Charge	0
93184	Defined_Bond_Stereo_Count	0
64	TPSA	40.5
12508	Covalent_Unit_Count	1
24848323	Non-hydrogen_Atom_Count	16
5280723	Molecular_Weight	354.5
10290	Tautomer_Count	9
22386380	Molecular_Weight	121.10
78205	Covalent_Unit_Count	1
129711560	Hydrogen_Bond_Donor_Count	2
391138	XLogP3-AA	2.9
6066	Defined_Bond_Stereo_Count	0
118209675	XLogP3-AA	0.2
8002	XLogP3	2.8
5328017	Exact_Mass	222.090546336
68094	Isotope_Atom_Count	0
12702016	Hydrogen_Bond_Acceptor_Count	1
77751	Defined_Bond_Stereo_Count	0
7272	Total_Formal_Charge	0
145842551	Structure_Complexity	114
57224326	Isotope_Atom_Count	0
10341	Hydrogen_Bond_Acceptor_Count	2
10031428	Exact_Mass	595.21409234
12205	Non-hydrogen_Atom_Count	10
125462886	Rotatable_Bond_Count	12
90658992	Rotatable_Bond_Count	6
70680969	Defined_Bond_Stereo_Count	0
643798	Covalent_Unit_Count	1
6429113	Total_Formal_Charge	0
26117	XLogP3	1.2
12872197	Mono_Isotopic_Weight	100.052429494
86093867	Total_Formal_Charge	0
24321	Hydrogen_Bond_Acceptor_Count	1
736500	Mono_Isotopic_Weight	162.01393598
600269	Isotope_Atom_Count	0
59248882	Mono_Isotopic_Weight	631.24807216
399895	Undefined_Atom_Stereo_Count	4
227244	Rotatable_Bond_Count	0
81762	Rotatable_Bond_Count	3
6538897	Isotope_Atom_Count	0
79069	Non-hydrogen_Atom_Count	8
15116	TPSA	45.3
16211656	Rotatable_Bond_Count	0
65934	XLogP3-AA	1.1
53759081	Mono_Isotopic_Weight	103.063328530
5357002	Defined_Atom_Stereo_Count	0
9872634	Covalent_Unit_Count	1
5376	Undefined_Bond_Stereo_Count	1
60196270	Undefined_Atom_Stereo_Count	0
23015900	Defined_Atom_Stereo_Count	0
11313946	Hydrogen_Bond_Acceptor_Count	4
68207	Rotatable_Bond_Count	1
82084	Hydrogen_Bond_Acceptor_Count	5
44309990	Structure_Complexity	431
92277	Defined_Bond_Stereo_Count	0
15529	XLogP3	3.7
68511084	Mono_Isotopic_Weight	465.16542422
415984	TPSA	52.6
139833631	Exact_Mass	107.048347172
188914	Defined_Bond_Stereo_Count	0
38771	Structure_Complexity	175
151194	Defined_Atom_Stereo_Count	0
65763	Defined_Bond_Stereo_Count	0
27402	Tautomer_Count	1
15480320	Undefined_Bond_Stereo_Count	0
5375200	Undefined_Bond_Stereo_Count	0
86412	Undefined_Atom_Stereo_Count	0
7712	Hydrogen_Bond_Acceptor_Count	2
69677	TPSA	25.8
91677	Molecular_Weight	312.11
547686	Undefined_Bond_Stereo_Count	0
126977538	Mono_Isotopic_Weight	112.052429494
160796	Undefined_Atom_Stereo_Count	1
69860	Exact_Mass	156.05349212
9807600	Rotatable_Bond_Count	7
101254309	Defined_Bond_Stereo_Count	0
20320770	Hydrogen_Bond_Donor_Count	0
4400696	XLogP3-AA	2.2
64356	Mono_Isotopic_Weight	267.0346565
466151	Hydrogen_Bond_Acceptor_Count	8
53693313	Hydrogen_Bond_Acceptor_Count	2
7338	TPSA	29.5
436533	Defined_Bond_Stereo_Count	0
6618	Hydrogen_Bond_Donor_Count	2
10898638	Hydrogen_Bond_Acceptor_Count	1
77288	Mono_Isotopic_Weight	174.14422188
29675	Defined_Atom_Stereo_Count	0
23465004	TPSA	20.2
226057	Covalent_Unit_Count	1
72200865	Rotatable_Bond_Count	12
66879	Rotatable_Bond_Count	3
66162	Molecular_Weight	340.4
13745	Total_Formal_Charge	0
76720	Defined_Bond_Stereo_Count	0
9881504	Molecular_Weight	254.28
88294	Hydrogen_Bond_Acceptor_Count	4
16218739	Undefined_Bond_Stereo_Count	0
6674	Covalent_Unit_Count	1
53384934	Mono_Isotopic_Weight	665.30474055
6642	Rotatable_Bond_Count	5
11700495	TPSA	107
13808253	Covalent_Unit_Count	1
11966141	Structure_Complexity	1450
81263	Defined_Bond_Stereo_Count	0
10477191	Defined_Bond_Stereo_Count	0
138107644	Total_Formal_Charge	0
51763	Defined_Bond_Stereo_Count	0
733511	Mono_Isotopic_Weight	319.157228913
72924	Hydrogen_Bond_Acceptor_Count	3
90475112	Exact_Mass	406.1811912
3290	Hydrogen_Bond_Acceptor_Count	3
56634286	Non-hydrogen_Atom_Count	8
3598	Undefined_Atom_Stereo_Count	0
33630	Defined_Bond_Stereo_Count	0
851992	Isotope_Atom_Count	0
7843	Total_Formal_Charge	0
89168339	Structure_Complexity	113
123835510	TPSA	49.7
5352621	Molecular_Weight	277.4
9904	Total_Formal_Charge	0
361739	Undefined_Bond_Stereo_Count	1
24635	Hydrogen_Bond_Donor_Count	0
21117498	Structure_Complexity	83.7
119093923	Structure_Complexity	131
18687754	Exact_Mass	348.00794255
31269	Defined_Bond_Stereo_Count	0
89261068	Undefined_Atom_Stereo_Count	0
16051951	Undefined_Atom_Stereo_Count	0
70684298	Undefined_Bond_Stereo_Count	0
572852	Tautomer_Count	3
55918	Structure_Complexity	347
11446308	Exact_Mass	117.053826475
18965	Undefined_Bond_Stereo_Count	0
362413	Total_Formal_Charge	0
71397	Defined_Atom_Stereo_Count	0
82326	Molecular_Weight	151.68
5361092	Isotope_Atom_Count	0
49831162	Rotatable_Bond_Count	6
53151	Undefined_Atom_Stereo_Count	0
71583603	Structure_Complexity	558
79783	Undefined_Atom_Stereo_Count	0
626732	Mono_Isotopic_Weight	330.21949481
12711588	Undefined_Atom_Stereo_Count	1
71541083	Undefined_Bond_Stereo_Count	0
694052	TPSA	111
54690394	Undefined_Atom_Stereo_Count	0
83669972	XLogP3-AA	0.2
25142043	Isotope_Atom_Count	0
53315818	TPSA	58.6
97341	Defined_Bond_Stereo_Count	0
70198	Rotatable_Bond_Count	0
3698	TPSA	68
452723	Isotope_Atom_Count	0
19990	Structure_Complexity	108
132281917	Total_Formal_Charge	0
19709	TPSA	26
12618	Rotatable_Bond_Count	2
40467085	Mono_Isotopic_Weight	489.06509963
64017	Hydrogen_Bond_Acceptor_Count	6
41955	Non-hydrogen_Atom_Count	21
416960	Undefined_Atom_Stereo_Count	1
101611446	Defined_Atom_Stereo_Count	5
21661235	Isotope_Atom_Count	0
68861	Undefined_Atom_Stereo_Count	0
633097	Rotatable_Bond_Count	2
12562198	Total_Formal_Charge	0
119198	TPSA	26.7
442428	Isotope_Atom_Count	0
44393	Tautomer_Count	1
139147285	Hydrogen_Bond_Donor_Count	1
92667	Total_Formal_Charge	0
12278548	Defined_Atom_Stereo_Count	0
10975462	Rotatable_Bond_Count	5
6437392	TPSA	134
10486501	Rotatable_Bond_Count	15
29359	Total_Formal_Charge	0
12124007	Molecular_Weight	113.11
166486721	TPSA	20.3
23581946	Isotope_Atom_Count	0
20791685	Exact_Mass	111.079647300
7470	Tautomer_Count	6
123288617	Isotope_Atom_Count	0
123489618	Undefined_Bond_Stereo_Count	0
51030053	Undefined_Bond_Stereo_Count	0
5318599	TPSA	20.2
70694239	XLogP3-AA	2.9
9012	Hydrogen_Bond_Donor_Count	0
7525	XLogP3	0
122669	Isotope_Atom_Count	0
20167	Covalent_Unit_Count	1
53393586	Hydrogen_Bond_Acceptor_Count	16
25255	XLogP3-AA	2.9
61591	Isotope_Atom_Count	0
18636	Molecular_Weight	459.7
6161490	Isotope_Atom_Count	0
70697255	Rotatable_Bond_Count	17
4103	Covalent_Unit_Count	1
6328685	Undefined_Atom_Stereo_Count	0
5459842	Hydrogen_Bond_Acceptor_Count	3
14840499	Hydrogen_Bond_Donor_Count	0
59296039	Covalent_Unit_Count	1
10176241	Hydrogen_Bond_Donor_Count	2
8103	Tautomer_Count	1
13150	Exact_Mass	130.062994177
1204288	Tautomer_Count	3
159250	Hydrogen_Bond_Donor_Count	6
57642398	Undefined_Atom_Stereo_Count	0
14740383	Total_Formal_Charge	0
14443	Hydrogen_Bond_Acceptor_Count	6
3467	Hydrogen_Bond_Acceptor_Count	12
13764	Mono_Isotopic_Weight	275.05422040
62856	Non-hydrogen_Atom_Count	9
14528850	Exact_Mass	112.088815002
60860	Covalent_Unit_Count	1
522636	Mono_Isotopic_Weight	346.14163842
20517187	Non-hydrogen_Atom_Count	8
101916	Isotope_Atom_Count	0
3962	Hydrogen_Bond_Donor_Count	1
11977	Non-hydrogen_Atom_Count	10
138077	Isotope_Atom_Count	0
20769606	Exact_Mass	114.068079557
11355447	Tautomer_Count	1
140905	Structure_Complexity	80.4
95763	Mono_Isotopic_Weight	245.0065981
6973628	XLogP3-AA	1.6
68794	Undefined_Atom_Stereo_Count	3
45923684	Exact_Mass	112.074896272
10355130	Defined_Atom_Stereo_Count	0
61900360	Rotatable_Bond_Count	1
337310	Undefined_Bond_Stereo_Count	0
73351	Exact_Mass	278.96496419
668744	Undefined_Atom_Stereo_Count	0
25207583	Defined_Atom_Stereo_Count	0
928367	XLogP3-AA	1.4
441393	Hydrogen_Bond_Acceptor_Count	14
12986	Molecular_Weight	84.16
61553086	Exact_Mass	118.099379685
129	Defined_Bond_Stereo_Count	0
134825522	Defined_Bond_Stereo_Count	0
45358975	Defined_Bond_Stereo_Count	0
104865206	Hydrogen_Bond_Acceptor_Count	3
11470068	Structure_Complexity	133
6913	Isotope_Atom_Count	0
165558	Hydrogen_Bond_Acceptor_Count	12
8269	Total_Formal_Charge	0
522536	Covalent_Unit_Count	1
61143	Total_Formal_Charge	0
4781	Covalent_Unit_Count	1
57398392	Undefined_Atom_Stereo_Count	0
5281701	XLogP3	1
76126	Isotope_Atom_Count	0
51432351	Structure_Complexity	609
64762	Molecular_Weight	471.0
10400	Structure_Complexity	76.4
91473751	Undefined_Bond_Stereo_Count	0
3971	Exact_Mass	306.136827821
5311217	Covalent_Unit_Count	1
96412	Defined_Atom_Stereo_Count	0
222572	Structure_Complexity	391
7904	Covalent_Unit_Count	1
75258	Hydrogen_Bond_Acceptor_Count	10
408793	Defined_Bond_Stereo_Count	0
63390	Molecular_Weight	295.4
5283344	Covalent_Unit_Count	1
76609483	Hydrogen_Bond_Acceptor_Count	3
104610	Defined_Atom_Stereo_Count	0
136253316	Total_Formal_Charge	1
22220113	Rotatable_Bond_Count	1
83960	Rotatable_Bond_Count	8
61660	Tautomer_Count	1
78972	Rotatable_Bond_Count	0
6455792	Non-hydrogen_Atom_Count	8
123585399	Non-hydrogen_Atom_Count	7
528856	TPSA	75.9
54272	Non-hydrogen_Atom_Count	23
28131	Structure_Complexity	206
6433115	Covalent_Unit_Count	1
165105	Molecular_Weight	178.14
11693521	Hydrogen_Bond_Acceptor_Count	13
86916	Tautomer_Count	1
57680	Defined_Atom_Stereo_Count	0
12451640	Rotatable_Bond_Count	5
12736014	Isotope_Atom_Count	0
123143	Isotope_Atom_Count	0
4090	Structure_Complexity	607
9928016	Hydrogen_Bond_Acceptor_Count	4
6331630	XLogP3-AA	1.1
5160	Covalent_Unit_Count	1
15568242	Rotatable_Bond_Count	1
431097	Undefined_Bond_Stereo_Count	0
131721310	Undefined_Atom_Stereo_Count	0
15786916	Non-hydrogen_Atom_Count	3
88481084	Undefined_Bond_Stereo_Count	1
65819	Rotatable_Bond_Count	2
153939154	Hydrogen_Bond_Donor_Count	0
54493962	Total_Formal_Charge	0
74952	Hydrogen_Bond_Acceptor_Count	0
851390	Defined_Atom_Stereo_Count	0
94411	Structure_Complexity	180
87380	Defined_Bond_Stereo_Count	0
18639728	Molecular_Weight	154.25
19676	Total_Formal_Charge	0
16376	Exact_Mass	113.022526347
3041256	Undefined_Atom_Stereo_Count	0
3033842	Undefined_Atom_Stereo_Count	1
669019	Structure_Complexity	255
64033	Molecular_Weight	260.29
22227	Isotope_Atom_Count	0
9280	Rotatable_Bond_Count	4
12522360	XLogP3-AA	1.6
86277930	Exact_Mass	799.1856278
162883451	Total_Formal_Charge	0
8920	Defined_Atom_Stereo_Count	0
20387223	Hydrogen_Bond_Acceptor_Count	1
6852167	Tautomer_Count	5
53319416	Defined_Bond_Stereo_Count	0
5280492	XLogP3-AA	4.1
57417360	Total_Formal_Charge	0
994	Rotatable_Bond_Count	3
69982	XLogP3	1.7
13028028	Hydrogen_Bond_Acceptor_Count	2
5045307	Hydrogen_Bond_Acceptor_Count	21
670359	Isotope_Atom_Count	0
15778	Non-hydrogen_Atom_Count	8
135443389	Hydrogen_Bond_Donor_Count	3
726050	Exact_Mass	271.10308534
102551	Non-hydrogen_Atom_Count	11
476	Defined_Atom_Stereo_Count	0
19176	Isotope_Atom_Count	0
7691	Undefined_Atom_Stereo_Count	0
524894	Molecular_Weight	90.12
2735049	Mono_Isotopic_Weight	306.03038692
68007244	Total_Formal_Charge	0
5311304	Non-hydrogen_Atom_Count	26
140557163	Total_Formal_Charge	0
126704391	Exact_Mass	180.06338810
557816	XLogP3-AA	0.5
5807	Exact_Mass	247.0975211
144513	Isotope_Atom_Count	0
2794811	Exact_Mass	102.079312947
66587064	Covalent_Unit_Count	2
21966525	TPSA	38.7
71827	Exact_Mass	242.105527694
3038481	Hydrogen_Bond_Donor_Count	1
37207	Tautomer_Count	1
12738	Structure_Complexity	574
19870792	Covalent_Unit_Count	1
123799979	Total_Formal_Charge	0
6419719	Undefined_Atom_Stereo_Count	0
88686	Molecular_Weight	85.003
53470	TPSA	40.5
381525	Hydrogen_Bond_Donor_Count	2
65043	Mono_Isotopic_Weight	263.0283962
39328	Hydrogen_Bond_Donor_Count	1
24868273	Rotatable_Bond_Count	5
36209	Hydrogen_Bond_Acceptor_Count	0
92044408	Defined_Atom_Stereo_Count	13
91171	Structure_Complexity	52.5
3036931	Isotope_Atom_Count	0
57744	Rotatable_Bond_Count	12
705645	Total_Formal_Charge	0
67233382	Rotatable_Bond_Count	3
295965	Defined_Atom_Stereo_Count	0
6662	Rotatable_Bond_Count	3
133612130	Rotatable_Bond_Count	44
31365	Undefined_Atom_Stereo_Count	2
25200541	Hydrogen_Bond_Acceptor_Count	8
529331	Structure_Complexity	72.9
115219	Covalent_Unit_Count	1
134270	XLogP3-AA	0.8
76013	Undefined_Atom_Stereo_Count	0
53756508	Molecular_Weight	100.12
85694	Mono_Isotopic_Weight	398.28209507
122669	XLogP3-AA	1.8
71311389	Mono_Isotopic_Weight	257.925853
22178808	XLogP3-AA	16
68081	Mono_Isotopic_Weight	270.08920892
6398970	Isotope_Atom_Count	0
15150444	Molecular_Weight	83.13
93104	XLogP3-AA	3.8
14557074	Hydrogen_Bond_Acceptor_Count	3
262352	Hydrogen_Bond_Donor_Count	1
73742	Mono_Isotopic_Weight	144.068748264
5779	Total_Formal_Charge	0
2826713	Non-hydrogen_Atom_Count	60
338733	Defined_Bond_Stereo_Count	0
19045124	Undefined_Bond_Stereo_Count	0
12809444	Mono_Isotopic_Weight	179.058243149
77690	Isotope_Atom_Count	0
71209	Defined_Bond_Stereo_Count	0
11040399	Covalent_Unit_Count	1
46490	Defined_Atom_Stereo_Count	0
46257	Tautomer_Count	1
10148984	Defined_Atom_Stereo_Count	0
118451841	Non-hydrogen_Atom_Count	20
10324367	Covalent_Unit_Count	1
6435812	TPSA	24.8
13166770	Non-hydrogen_Atom_Count	8
20469	Non-hydrogen_Atom_Count	28
10297982	Hydrogen_Bond_Donor_Count	3
35	Rotatable_Bond_Count	2
11560	Undefined_Atom_Stereo_Count	0
3614338	Covalent_Unit_Count	1
4144353	Undefined_Atom_Stereo_Count	0
49862626	Defined_Atom_Stereo_Count	0
11073376	Structure_Complexity	160
13542	Structure_Complexity	88.1
216239	Covalent_Unit_Count	1
565610	Rotatable_Bond_Count	15
71541293	Defined_Atom_Stereo_Count	1
726944	XLogP3-AA	1.1
139510	Defined_Atom_Stereo_Count	0
2734243	Molecular_Weight	340.29
24229456	Defined_Atom_Stereo_Count	0
2691	TPSA	198
5462501	Hydrogen_Bond_Acceptor_Count	6
4674	Covalent_Unit_Count	1
10455	Total_Formal_Charge	0
135985126	Isotope_Atom_Count	0
67258704	XLogP3-AA	0.7
56845689	Undefined_Atom_Stereo_Count	1
148821664	Covalent_Unit_Count	1
163646941	Isotope_Atom_Count	0
126970904	Defined_Atom_Stereo_Count	0
146465392	Hydrogen_Bond_Donor_Count	0
72941505	Molecular_Weight	377.28
20793238	Isotope_Atom_Count	0
344865	Hydrogen_Bond_Donor_Count	0
16219	TPSA	3.2
9007	Undefined_Bond_Stereo_Count	0
442374	Undefined_Bond_Stereo_Count	0
12634652	Hydrogen_Bond_Donor_Count	0
1219	Structure_Complexity	237
108147	Hydrogen_Bond_Acceptor_Count	12
44134949	Isotope_Atom_Count	0
68901	Rotatable_Bond_Count	3
3414	Hydrogen_Bond_Donor_Count	0
146158553	Non-hydrogen_Atom_Count	42
73005	Defined_Atom_Stereo_Count	0
14027216	TPSA	26.3
16270	Mono_Isotopic_Weight	112.125200510
4048	Rotatable_Bond_Count	3
157787142	Defined_Bond_Stereo_Count	0
11585872	Exact_Mass	261.06122053
121207396	Undefined_Bond_Stereo_Count	0
135436533	Molecular_Weight	351.3
5327065	Isotope_Atom_Count	0
83969	Defined_Atom_Stereo_Count	0
127548	Molecular_Weight	217.22
52949465	Rotatable_Bond_Count	8
53479	Non-hydrogen_Atom_Count	14
133269698	Exact_Mass	342.11621151
107202	Tautomer_Count	1
5311123	Defined_Bond_Stereo_Count	0
3154	Undefined_Atom_Stereo_Count	2
53699081	Covalent_Unit_Count	1
565843	TPSA	109
85257	Exact_Mass	94.98029013
59009	Total_Formal_Charge	0
135434844	Total_Formal_Charge	0
45116684	Covalent_Unit_Count	1
76372196	Undefined_Atom_Stereo_Count	1
22348659	Isotope_Atom_Count	0
59814883	Undefined_Atom_Stereo_Count	0
11260	Undefined_Atom_Stereo_Count	1
56682313	Rotatable_Bond_Count	3
457928	TPSA	101
20484	Hydrogen_Bond_Acceptor_Count	6
18822	Undefined_Atom_Stereo_Count	0
9852904	Structure_Complexity	1160
15256327	Structure_Complexity	103
147226284	Non-hydrogen_Atom_Count	8
413518	Defined_Atom_Stereo_Count	0
6580	Mono_Isotopic_Weight	92.9981414
5280440	Total_Formal_Charge	0
33360	XLogP3-AA	2.7
19903	Structure_Complexity	58.6
90931176	Hydrogen_Bond_Acceptor_Count	0
145712264	Non-hydrogen_Atom_Count	59
24961094	Defined_Atom_Stereo_Count	0
25244355	Undefined_Bond_Stereo_Count	0
53401340	Hydrogen_Bond_Acceptor_Count	3
139444	Total_Formal_Charge	0
637668	Undefined_Bond_Stereo_Count	0
6437841	Molecular_Weight	326.4
164914198	Undefined_Bond_Stereo_Count	0
39976	Mono_Isotopic_Weight	371.0495256
22160814	Hydrogen_Bond_Acceptor_Count	2
11116543	Non-hydrogen_Atom_Count	12
88715	TPSA	73.5
67246787	Isotope_Atom_Count	0
49866692	Mono_Isotopic_Weight	293.1294900
87425008	Mono_Isotopic_Weight	348.96256697
57091294	Isotope_Atom_Count	0
115358	Covalent_Unit_Count	1
593411	TPSA	0
154724068	Undefined_Bond_Stereo_Count	0
6857664	Mono_Isotopic_Weight	42.009222013
10419146	Hydrogen_Bond_Acceptor_Count	1
31205	Hydrogen_Bond_Donor_Count	0
96389	Exact_Mass	145.052763847
86876	Hydrogen_Bond_Donor_Count	0
517277	Molecular_Weight	151.990
49517	Rotatable_Bond_Count	18
142967978	Defined_Bond_Stereo_Count	0
4246	Rotatable_Bond_Count	0
16132954	Covalent_Unit_Count	1
54760133	Undefined_Bond_Stereo_Count	0
12744	TPSA	0
22598190	Hydrogen_Bond_Acceptor_Count	0
8333	Covalent_Unit_Count	1
121207552	Hydrogen_Bond_Acceptor_Count	1
10975416	Hydrogen_Bond_Acceptor_Count	2
151092	Covalent_Unit_Count	1
89446525	Structure_Complexity	180
15787	Non-hydrogen_Atom_Count	18
6323236	Exact_Mass	582.24783482
93221	Mono_Isotopic_Weight	699.42473655
57590	Total_Formal_Charge	0
7067	Molecular_Weight	179.26
898	Molecular_Weight	301.19
53735	Hydrogen_Bond_Acceptor_Count	4
135398599	Undefined_Atom_Stereo_Count	0
57131009	Defined_Atom_Stereo_Count	0
3317081	Undefined_Bond_Stereo_Count	0
59653	Structure_Complexity	492
49869313	Non-hydrogen_Atom_Count	25
134129849	XLogP3-AA	1.8
11389356	Hydrogen_Bond_Donor_Count	0
7026090	Isotope_Atom_Count	0
15286	Defined_Atom_Stereo_Count	0
11433190	Undefined_Bond_Stereo_Count	0
83335	Tautomer_Count	1
20561708	Mono_Isotopic_Weight	97.027611728
10799	Non-hydrogen_Atom_Count	20
151148	Total_Formal_Charge	0
5047019	Defined_Atom_Stereo_Count	0
81263	Mono_Isotopic_Weight	156.151415257
735940	Total_Formal_Charge	0
13511141	Non-hydrogen_Atom_Count	13
16073666	Molecular_Weight	650.8
2132	Undefined_Bond_Stereo_Count	0
5282198	Undefined_Atom_Stereo_Count	0
15606546	TPSA	111
589615	Molecular_Weight	146.15
6540478	Hydrogen_Bond_Acceptor_Count	4
10962	Rotatable_Bond_Count	2
70250408	Tautomer_Count	2
16051971	Rotatable_Bond_Count	9
535856	Defined_Bond_Stereo_Count	0
53778	Defined_Atom_Stereo_Count	0
15374	Hydrogen_Bond_Acceptor_Count	2
6173	Exact_Mass	422.19877662
10921634	XLogP3	4.6
60155182	Undefined_Bond_Stereo_Count	0
31204	Structure_Complexity	316
18314545	Undefined_Atom_Stereo_Count	0
21075	Covalent_Unit_Count	1
70783	Hydrogen_Bond_Acceptor_Count	1
10478	Undefined_Bond_Stereo_Count	0
10113978	Undefined_Atom_Stereo_Count	0
21772	Covalent_Unit_Count	1
54541930	Mono_Isotopic_Weight	115.063328530
69657541	XLogP3-AA	1.1
17948	Non-hydrogen_Atom_Count	18
12313473	Covalent_Unit_Count	1
54187438	Structure_Complexity	74.2
3361	Undefined_Bond_Stereo_Count	0
3037456	Total_Formal_Charge	0
9263	Structure_Complexity	26.5
23725625	Undefined_Atom_Stereo_Count	0
5287851	Defined_Atom_Stereo_Count	2
125183304	Hydrogen_Bond_Acceptor_Count	17
18720270	Molecular_Weight	115.13
23263	Mono_Isotopic_Weight	234.090546336
139064747	Structure_Complexity	456
72200357	XLogP3-AA	3.3
24341	Non-hydrogen_Atom_Count	2
58937356	Structure_Complexity	134
123920652	Exact_Mass	110.109550447
277767	TPSA	54.4
5362894	Covalent_Unit_Count	1
9802542	Total_Formal_Charge	0
9821690	Defined_Bond_Stereo_Count	0
44560574	Hydrogen_Bond_Acceptor_Count	6
637927	Rotatable_Bond_Count	2
143035	Molecular_Weight	68.07
87155	Total_Formal_Charge	0
60795	Total_Formal_Charge	0
95934	Non-hydrogen_Atom_Count	22
4249	Defined_Atom_Stereo_Count	0
9016	TPSA	18.5
60025	Undefined_Atom_Stereo_Count	0
16760577	Mono_Isotopic_Weight	325.17902698
16120	Isotope_Atom_Count	0
9854073	Molecular_Weight	835.9
13356643	XLogP3-AA	0.4
2401	TPSA	78.9
55478	Non-hydrogen_Atom_Count	26
70608	Molecular_Weight	180.09
66509054	Isotope_Atom_Count	0
153974	Hydrogen_Bond_Acceptor_Count	5
53859	Rotatable_Bond_Count	4
70687331	Undefined_Bond_Stereo_Count	0
20205172	Total_Formal_Charge	0
712441	Rotatable_Bond_Count	1
69663	Non-hydrogen_Atom_Count	6
21041051	Non-hydrogen_Atom_Count	7
14459508	Undefined_Atom_Stereo_Count	1
297618	Undefined_Bond_Stereo_Count	0
22784	Defined_Atom_Stereo_Count	0
107377	Rotatable_Bond_Count	8
21751982	Undefined_Atom_Stereo_Count	0
9737	Undefined_Atom_Stereo_Count	0
17522	Tautomer_Count	1
107196	Structure_Complexity	52.5
2778339	Isotope_Atom_Count	0
220820	Covalent_Unit_Count	1
12734620	Exact_Mass	126.104465066
3053	Hydrogen_Bond_Acceptor_Count	13
154183660	Defined_Atom_Stereo_Count	0
498459	Defined_Atom_Stereo_Count	0
429	TPSA	155
46708292	Non-hydrogen_Atom_Count	20
54710618	Undefined_Bond_Stereo_Count	0
6321	Non-hydrogen_Atom_Count	9
101707094	Molecular_Weight	66.10
78949	Hydrogen_Bond_Donor_Count	1
10885665	Undefined_Bond_Stereo_Count	0
153386581	Non-hydrogen_Atom_Count	7
10997120	Molecular_Weight	140.65
43678	Non-hydrogen_Atom_Count	29
5104	Mono_Isotopic_Weight	262.941106
43389	Hydrogen_Bond_Donor_Count	0
5329027	Non-hydrogen_Atom_Count	29
1189	Non-hydrogen_Atom_Count	20
130232326	Non-hydrogen_Atom_Count	38
15024257	Hydrogen_Bond_Acceptor_Count	3
11405875	Exact_Mass	364.0978555
18356755	Rotatable_Bond_Count	3
657055	Rotatable_Bond_Count	1
3816043	Total_Formal_Charge	0
101771	Hydrogen_Bond_Donor_Count	2
13032471	Defined_Bond_Stereo_Count	0
60710317	Defined_Atom_Stereo_Count	0
135405908	TPSA	98.2
83151608	Undefined_Bond_Stereo_Count	0
72887	Molecular_Weight	128.17
54078821	Hydrogen_Bond_Acceptor_Count	2
66616	Hydrogen_Bond_Acceptor_Count	3
24831714	TPSA	104
13316162	Undefined_Atom_Stereo_Count	0
530132	Molecular_Weight	217.34
65728	Mono_Isotopic_Weight	386.354866087
12151528	Molecular_Weight	97.12
13601742	Non-hydrogen_Atom_Count	8
57483528	Undefined_Atom_Stereo_Count	3
72200444	Defined_Bond_Stereo_Count	0
80511	Defined_Atom_Stereo_Count	0
64685	Defined_Atom_Stereo_Count	0
56842993	Structure_Complexity	503
11159021	Molecular_Weight	383.6
25001002	Undefined_Atom_Stereo_Count	0
69488652	Hydrogen_Bond_Donor_Count	0
91224654	Exact_Mass	108.093900383
5359371	Undefined_Atom_Stereo_Count	0
10449	Mono_Isotopic_Weight	89.027691913
44119980	Hydrogen_Bond_Donor_Count	5
87338910	Hydrogen_Bond_Donor_Count	2
3679	Covalent_Unit_Count	1
33363	Mono_Isotopic_Weight	267.162314293
9885355	Hydrogen_Bond_Donor_Count	2
12255652	Mono_Isotopic_Weight	328.26135963
13521	Rotatable_Bond_Count	9
1548885	TPSA	73.6
253602	Total_Formal_Charge	0
801	Molecular_Weight	174.18
441189	Mono_Isotopic_Weight	240.13347377
12127	Tautomer_Count	3
88481084	Exact_Mass	422.36670574
31954	Mono_Isotopic_Weight	194.094294304
66456	Undefined_Atom_Stereo_Count	0
14795102	Hydrogen_Bond_Donor_Count	1
76344	Structure_Complexity	248
90735699	Undefined_Bond_Stereo_Count	0
23278143	Non-hydrogen_Atom_Count	19
23581869	Non-hydrogen_Atom_Count	26
20589301	Molecular_Weight	96.13
10887879	Molecular_Weight	118.17
11126225	Hydrogen_Bond_Acceptor_Count	2
4622	Structure_Complexity	288
2375	Defined_Bond_Stereo_Count	0
1005	Molecular_Weight	168.04
23567801	Molecular_Weight	112.17
12905096	Covalent_Unit_Count	1
57716	Total_Formal_Charge	0
975767	Non-hydrogen_Atom_Count	17
10341	TPSA	26.3
1766	Defined_Bond_Stereo_Count	0
527031	Hydrogen_Bond_Donor_Count	0
25142309	Undefined_Bond_Stereo_Count	0
11122050	Defined_Bond_Stereo_Count	0
139075879	Defined_Atom_Stereo_Count	0
99132	Undefined_Bond_Stereo_Count	0
3702	Undefined_Atom_Stereo_Count	1
73828	Rotatable_Bond_Count	2
11957515	Defined_Bond_Stereo_Count	0
41556	Non-hydrogen_Atom_Count	19
57659	Undefined_Atom_Stereo_Count	0
15057	Covalent_Unit_Count	2
22227703	Exact_Mass	466.1758310
67215	Covalent_Unit_Count	1
24153	Tautomer_Count	1
91301203	Defined_Bond_Stereo_Count	0
165437289	Defined_Bond_Stereo_Count	2
89651175	XLogP3-AA	0.6
11232	Structure_Complexity	416
91229160	Molecular_Weight	111.10
1708	XLogP3-AA	1.6
141681	Molecular_Weight	128.05
4472	Exact_Mass	298.14297583
6452419	Covalent_Unit_Count	1
87604555	TPSA	61.1
146468	Defined_Bond_Stereo_Count	0
146571	Rotatable_Bond_Count	6
11534927	Covalent_Unit_Count	1
706	Hydrogen_Bond_Acceptor_Count	7
85588	Undefined_Bond_Stereo_Count	0
6918077	Non-hydrogen_Atom_Count	22
141691	Undefined_Bond_Stereo_Count	0
16627	Undefined_Atom_Stereo_Count	0
12502857	Undefined_Atom_Stereo_Count	0
52945793	Rotatable_Bond_Count	6
149790	Hydrogen_Bond_Donor_Count	2
408793	Undefined_Atom_Stereo_Count	0
101977	Molecular_Weight	156.26
8041	Hydrogen_Bond_Acceptor_Count	2
87063833	Rotatable_Bond_Count	0
12579106	Structure_Complexity	77.4
887830	Total_Formal_Charge	0
71459864	Covalent_Unit_Count	2
36906	Total_Formal_Charge	0
15942852	Undefined_Atom_Stereo_Count	2
69052440	Hydrogen_Bond_Donor_Count	8
2761399	Undefined_Atom_Stereo_Count	0
49862688	Defined_Atom_Stereo_Count	0
11170991	Undefined_Atom_Stereo_Count	0
13978	Hydrogen_Bond_Donor_Count	0
61029	Structure_Complexity	366
53319417	Mono_Isotopic_Weight	450.1346349
46883936	Total_Formal_Charge	0
726050	Hydrogen_Bond_Acceptor_Count	2
115011059	Total_Formal_Charge	0
122877	Structure_Complexity	1110
54058074	Undefined_Atom_Stereo_Count	0
9847241	Undefined_Bond_Stereo_Count	0
6763	Molecular_Weight	208.21
162569	Defined_Bond_Stereo_Count	0
5158	Exact_Mass	1288.65643130
66942740	Isotope_Atom_Count	0
593369	Molecular_Weight	305.4
71578106	Hydrogen_Bond_Acceptor_Count	9
6702	Isotope_Atom_Count	0
43859	Mono_Isotopic_Weight	390.0789499
32068	Undefined_Bond_Stereo_Count	0
12219387	Rotatable_Bond_Count	1
312	Mono_Isotopic_Weight	34.9688527
73353577	Defined_Bond_Stereo_Count	0
23170707	Undefined_Atom_Stereo_Count	0
70851	Defined_Atom_Stereo_Count	0
520148	Exact_Mass	206.130679813
16211761	XLogP3-AA	6.1
16129629	Tautomer_Count	998
5460324	XLogP3-AA	2.4
2724248	Mono_Isotopic_Weight	260.08067248
5152	Mono_Isotopic_Weight	415.27225866
145768160	Hydrogen_Bond_Donor_Count	0
4796	Hydrogen_Bond_Donor_Count	7
39727	Tautomer_Count	1
22269415	Rotatable_Bond_Count	0
153830378	Mono_Isotopic_Weight	116.083729621
285725	Defined_Atom_Stereo_Count	0
3680403	Undefined_Atom_Stereo_Count	0
5279171	XLogP3-AA	3.3
26470418	Exact_Mass	342.11621151
60154331	Molecular_Weight	360.21
6183357	Tautomer_Count	1001
7465	XLogP3	2.9
5284409	Structure_Complexity	350
14671580	Molecular_Weight	114.19
147740	Defined_Atom_Stereo_Count	15
25099474	Exact_Mass	361.13388831
4674	Structure_Complexity	243
690109	Covalent_Unit_Count	1
2760056	Tautomer_Count	4
443406	TPSA	43.7
95229	Defined_Bond_Stereo_Count	0
24857	Exact_Mass	222.01758
3681	Hydrogen_Bond_Donor_Count	2
11865	Mono_Isotopic_Weight	113.011292958
13380150	Undefined_Bond_Stereo_Count	0
21519577	Defined_Bond_Stereo_Count	0
140211	Defined_Atom_Stereo_Count	0
62576	Hydrogen_Bond_Donor_Count	0
139105	Hydrogen_Bond_Donor_Count	0
12478167	Rotatable_Bond_Count	2
22015773	Undefined_Atom_Stereo_Count	0
2794833	Hydrogen_Bond_Acceptor_Count	2
22369295	Molecular_Weight	114.17
9909677	Tautomer_Count	10
22291085	Non-hydrogen_Atom_Count	39
130013569	Isotope_Atom_Count	0
21896450	TPSA	50.1
56911	Rotatable_Bond_Count	1
16272	Mono_Isotopic_Weight	180.95271
289847	Structure_Complexity	150
14646171	Defined_Bond_Stereo_Count	0
445375	Undefined_Bond_Stereo_Count	0
5357402	Isotope_Atom_Count	0
9065	Molecular_Weight	187.66
38980	Total_Formal_Charge	0
1302	Exact_Mass	230.094294304
10240789	Hydrogen_Bond_Acceptor_Count	1
4983738	Undefined_Bond_Stereo_Count	0
94308	Undefined_Bond_Stereo_Count	0
5191	Covalent_Unit_Count	1
813505	Mono_Isotopic_Weight	277.0254188
12539007	Structure_Complexity	157
23668002	Undefined_Bond_Stereo_Count	0
7659	Mono_Isotopic_Weight	252.115029749
24900749	Undefined_Atom_Stereo_Count	0
44154493	Total_Formal_Charge	0
91895876	Non-hydrogen_Atom_Count	31
20165534	Hydrogen_Bond_Donor_Count	0
9988	Covalent_Unit_Count	1
431249	Exact_Mass	379.193614421
11993	Total_Formal_Charge	0
24208748	Undefined_Bond_Stereo_Count	0
44414678	XLogP3-AA	4.3
12491609	Molecular_Weight	112.17
9472	Rotatable_Bond_Count	9
20590622	Undefined_Bond_Stereo_Count	0
7438	Covalent_Unit_Count	1
244809	Non-hydrogen_Atom_Count	22
46879283	Defined_Bond_Stereo_Count	0
85670850	Defined_Atom_Stereo_Count	0
5284533	Total_Formal_Charge	0
51029964	Defined_Atom_Stereo_Count	1
56202	Undefined_Atom_Stereo_Count	1
70687322	Total_Formal_Charge	0
14823	Undefined_Bond_Stereo_Count	0
67076419	Covalent_Unit_Count	2
44183569	Undefined_Atom_Stereo_Count	0
1570	Mono_Isotopic_Weight	127.00918496
22065792	Exact_Mass	71.0304345
15394	Defined_Bond_Stereo_Count	0
9432	Isotope_Atom_Count	0
701186	Defined_Atom_Stereo_Count	1
16218641	Defined_Bond_Stereo_Count	0
91754428	Undefined_Atom_Stereo_Count	1
91556	TPSA	63.6
4284331	TPSA	189
23724963	Undefined_Atom_Stereo_Count	0
11658655	XLogP3-AA	3
6433272	Mono_Isotopic_Weight	925.50349992
5906	Non-hydrogen_Atom_Count	12
8128	Hydrogen_Bond_Donor_Count	0
16186010	Hydrogen_Bond_Acceptor_Count	20
10005402	Exact_Mass	480.1034322
69111	Covalent_Unit_Count	1
12220383	Exact_Mass	111.068413911
5284373	Rotatable_Bond_Count	15
72296	Non-hydrogen_Atom_Count	20
56955933	Hydrogen_Bond_Donor_Count	0
128919	Tautomer_Count	5
441199	XLogP3	0
668508	Covalent_Unit_Count	1
86857	Rotatable_Bond_Count	4
5411	Hydrogen_Bond_Acceptor_Count	4
278564	Undefined_Bond_Stereo_Count	0
16211214	Defined_Bond_Stereo_Count	0
32503	XLogP3-AA	3.3
49831411	Isotope_Atom_Count	0
2125	Rotatable_Bond_Count	4
3086172	Molecular_Weight	416.3
24410	Undefined_Bond_Stereo_Count	0
16682930	Hydrogen_Bond_Acceptor_Count	0
136254272	Non-hydrogen_Atom_Count	28
68717	TPSA	56.8
67374621	Undefined_Atom_Stereo_Count	0
6918309	Mono_Isotopic_Weight	440.06129312
9798496	Defined_Bond_Stereo_Count	1
68940	Non-hydrogen_Atom_Count	27
9938	XLogP3	3.2
735319	Undefined_Bond_Stereo_Count	0
49750	Isotope_Atom_Count	0
49806720	Molecular_Weight	482.6
564184	TPSA	47.6
22419332	Hydrogen_Bond_Acceptor_Count	2
15953353	Total_Formal_Charge	0
9576891	Defined_Bond_Stereo_Count	1
3038	TPSA	137
164333	Isotope_Atom_Count	0
65281	Rotatable_Bond_Count	31
73695606	TPSA	55.1
25202592	Exact_Mass	129.078978594
812042	Rotatable_Bond_Count	5
70280758	Non-hydrogen_Atom_Count	31
90766	Structure_Complexity	130
16040270	Non-hydrogen_Atom_Count	14
7890	Hydrogen_Bond_Acceptor_Count	0
246206	Non-hydrogen_Atom_Count	21
13804280	Isotope_Atom_Count	0
12746990	Rotatable_Bond_Count	0
733511	Non-hydrogen_Atom_Count	24
32681	Total_Formal_Charge	0
149127983	Molecular_Weight	100.16
53319118	Isotope_Atom_Count	0
13215601	Molecular_Weight	88.11
6323	Tautomer_Count	1
141168949	Hydrogen_Bond_Donor_Count	0
54231313	Hydrogen_Bond_Donor_Count	1
53143	TPSA	132
4581	Rotatable_Bond_Count	2
66008	Structure_Complexity	274
605283	Tautomer_Count	15
64302	Total_Formal_Charge	0
4823	Mono_Isotopic_Weight	334.14297583
15771	Tautomer_Count	1
16133802	Structure_Complexity	6500
139631450	XLogP3-AA	1
16760394	Undefined_Bond_Stereo_Count	0
31288	Undefined_Atom_Stereo_Count	0
11587	Covalent_Unit_Count	1
443788	Undefined_Bond_Stereo_Count	0
60678	Covalent_Unit_Count	3
57856017	Covalent_Unit_Count	1
95982	Defined_Atom_Stereo_Count	0
92444	Tautomer_Count	1
193653	Defined_Atom_Stereo_Count	1
2734236	Structure_Complexity	93.3
66545764	Structure_Complexity	880
11768544	Isotope_Atom_Count	0
11251803	Isotope_Atom_Count	0
160435425	Hydrogen_Bond_Donor_Count	0
135446210	Defined_Bond_Stereo_Count	0
13463260	Defined_Atom_Stereo_Count	0
134694738	Structure_Complexity	514
6800	Defined_Bond_Stereo_Count	0
242364	Hydrogen_Bond_Donor_Count	2
135449327	Defined_Bond_Stereo_Count	0
53643899	Structure_Complexity	146
2803	XLogP3	1.6
20038	Hydrogen_Bond_Donor_Count	0
15928	Exact_Mass	108.081324323
27447	Isotope_Atom_Count	0
132787	Exact_Mass	336.183778013
11124	Non-hydrogen_Atom_Count	6
3038481	Hydrogen_Bond_Acceptor_Count	11
10295970	Total_Formal_Charge	0
11069215	Undefined_Bond_Stereo_Count	0
24865264	Defined_Atom_Stereo_Count	1
17900281	Rotatable_Bond_Count	2
6586	Mono_Isotopic_Weight	93.9821570
11790	Total_Formal_Charge	0
83805	Molecular_Weight	383.23
76206	Mono_Isotopic_Weight	134.0134572
11587584	Hydrogen_Bond_Donor_Count	1
5746249	Rotatable_Bond_Count	5
19994812	Hydrogen_Bond_Donor_Count	1
644078	Mono_Isotopic_Weight	568.50667527
54686188	Molecular_Weight	805.9
76321	Covalent_Unit_Count	1
596091	Mono_Isotopic_Weight	220.146329876
70697656	Undefined_Bond_Stereo_Count	0
5729	Non-hydrogen_Atom_Count	16
6517	Undefined_Bond_Stereo_Count	0
148546155	Defined_Bond_Stereo_Count	0
5368831	Molecular_Weight	138.16
5283313	Hydrogen_Bond_Donor_Count	1
2895	Hydrogen_Bond_Donor_Count	0
704328	Exact_Mass	340.16093457
23691019	Hydrogen_Bond_Donor_Count	0
11681588	Molecular_Weight	337.4
16005262	Non-hydrogen_Atom_Count	7
455041	Defined_Atom_Stereo_Count	2
42201	Hydrogen_Bond_Acceptor_Count	4
9230	Hydrogen_Bond_Acceptor_Count	0
125183302	Rotatable_Bond_Count	13
25217475	Total_Formal_Charge	0
5878	Molecular_Weight	306.4
95592	Mono_Isotopic_Weight	174.104465066
9869142	Structure_Complexity	751
44462985	Defined_Bond_Stereo_Count	0
53248849	Total_Formal_Charge	0
3054609	TPSA	159
45356929	Molecular_Weight	908.9
5288845	Mono_Isotopic_Weight	118.099379685
14535399	Defined_Atom_Stereo_Count	0
3033985	Structure_Complexity	519
16666	TPSA	20.2
71743843	Structure_Complexity	136
11421	Exact_Mass	108.021129366
36246	Undefined_Bond_Stereo_Count	0
5281607	Structure_Complexity	384
11636816	Undefined_Atom_Stereo_Count	0
84398	Rotatable_Bond_Count	2
28697	Molecular_Weight	226.4
14543958	Covalent_Unit_Count	1
3337411	Exact_Mass	388.09921878
134056	Molecular_Weight	298.4
34408	Hydrogen_Bond_Donor_Count	0
11759286	Structure_Complexity	421
62010	Mono_Isotopic_Weight	101.084063974
12500500	Hydrogen_Bond_Donor_Count	0
283242	XLogP3	2.1
5462928	Hydrogen_Bond_Donor_Count	0
123671769	Undefined_Atom_Stereo_Count	0
12381421	TPSA	12.5
3955344	Tautomer_Count	16
60121	XLogP3-AA	2.9
44134844	Hydrogen_Bond_Acceptor_Count	31
3082460	Tautomer_Count	21
10887837	Undefined_Atom_Stereo_Count	0
105125	Defined_Atom_Stereo_Count	0
5282230	Undefined_Bond_Stereo_Count	0
19095	Rotatable_Bond_Count	2
89399042	Hydrogen_Bond_Acceptor_Count	2
138921	Defined_Atom_Stereo_Count	0
26361	Structure_Complexity	297
755686	Structure_Complexity	329
146156212	Hydrogen_Bond_Acceptor_Count	7
137547	Undefined_Atom_Stereo_Count	0
49862574	Mono_Isotopic_Weight	442.15379832
18730044	Hydrogen_Bond_Acceptor_Count	0
126011	Defined_Atom_Stereo_Count	0
55784	Rotatable_Bond_Count	5
71583271	Undefined_Bond_Stereo_Count	0
539001	Exact_Mass	126.02924926
45256107	Isotope_Atom_Count	0
10131132	Mono_Isotopic_Weight	247.0611356
22341858	Hydrogen_Bond_Donor_Count	2
154803918	Defined_Atom_Stereo_Count	0
3544	Structure_Complexity	339
44392087	Isotope_Atom_Count	0
57395613	XLogP3-AA	4.2
10115	XLogP3-AA	11.5
163090690	Hydrogen_Bond_Donor_Count	4
74229	Total_Formal_Charge	0
71151	Undefined_Atom_Stereo_Count	2
5053558	XLogP3-AA	0.1
58498	Defined_Atom_Stereo_Count	0
12412266	Molecular_Weight	100.12
91285707	Defined_Bond_Stereo_Count	0
112322	Molecular_Weight	155.24
5460188	Exact_Mass	304.276615768
12387212	Isotope_Atom_Count	0
5225	Defined_Atom_Stereo_Count	0
77232	Molecular_Weight	161.32
114935	Structure_Complexity	1170
6434112	Structure_Complexity	688
6327132	Total_Formal_Charge	0
60196408	Defined_Atom_Stereo_Count	1
25020797	TPSA	76.4
70685495	Defined_Atom_Stereo_Count	3
11721	Covalent_Unit_Count	1
97171	Hydrogen_Bond_Acceptor_Count	3
3658056	Total_Formal_Charge	0
15528723	Total_Formal_Charge	0
101574147	Mono_Isotopic_Weight	813.32364278
189562	Undefined_Atom_Stereo_Count	0
11337	Undefined_Atom_Stereo_Count	4
140470	Defined_Atom_Stereo_Count	0
129861481	Hydrogen_Bond_Acceptor_Count	2
77507	Structure_Complexity	243
11593706	Undefined_Bond_Stereo_Count	0
4344	Structure_Complexity	53.7
59665407	Isotope_Atom_Count	0
78485	Undefined_Bond_Stereo_Count	0
46485	Molecular_Weight	377.4
8573	Defined_Atom_Stereo_Count	0
23663958	Rotatable_Bond_Count	4
11363176	Structure_Complexity	674
21893333	Isotope_Atom_Count	0
72487	Exact_Mass	177.090211983
12254	Exact_Mass	88.063662883
2344	Structure_Complexity	340
82839	Rotatable_Bond_Count	0
641245	Undefined_Atom_Stereo_Count	0
15278	Mono_Isotopic_Weight	164.083729621
129849	Structure_Complexity	730
468076	Hydrogen_Bond_Acceptor_Count	7
3734	Structure_Complexity	583
21470	Hydrogen_Bond_Donor_Count	0
22273548	Covalent_Unit_Count	1
836002	Hydrogen_Bond_Acceptor_Count	2
101297691	Rotatable_Bond_Count	9
17185	Molecular_Weight	162.70
11625425	Isotope_Atom_Count	0
114681	Defined_Atom_Stereo_Count	0
11543205	Exact_Mass	199.08445790
66692781	Undefined_Atom_Stereo_Count	0
15988075	Hydrogen_Bond_Donor_Count	3
54655	TPSA	36.9
912	Tautomer_Count	2
217049	Exact_Mass	545.20047090
969108	Hydrogen_Bond_Acceptor_Count	3
8377	Undefined_Bond_Stereo_Count	0
5311023	Molecular_Weight	473.6
521951	Structure_Complexity	387
16498	Non-hydrogen_Atom_Count	11
16129635	Rotatable_Bond_Count	19
91585	Molecular_Weight	244.25
96400	XLogP3-AA	2.1
11648276	TPSA	52.8
6734	TPSA	0
5282199	Structure_Complexity	482
80865	Hydrogen_Bond_Donor_Count	0
67249135	Structure_Complexity	712
40467085	Hydrogen_Bond_Donor_Count	1
11093	Structure_Complexity	80.6
5459910	TPSA	38.8
13653621	Structure_Complexity	636
12702817	Mono_Isotopic_Weight	109.01393355
17074527	Hydrogen_Bond_Donor_Count	1
74030550	Undefined_Atom_Stereo_Count	40
22542	Molecular_Weight	272.23
16154490	Exact_Mass	1663.4923528
5205	TPSA	3.2
32592	Rotatable_Bond_Count	7
12275548	Non-hydrogen_Atom_Count	27
699683	Defined_Bond_Stereo_Count	0
12452021	Non-hydrogen_Atom_Count	8
93050	Rotatable_Bond_Count	3
9885850	Hydrogen_Bond_Donor_Count	1
20735704	Defined_Bond_Stereo_Count	0
10664930	TPSA	70
6994151	Hydrogen_Bond_Acceptor_Count	2
53763274	XLogP3-AA	2.4
1573	Total_Formal_Charge	0
44596	Hydrogen_Bond_Acceptor_Count	1
12372797	Defined_Atom_Stereo_Count	0
61237	Total_Formal_Charge	0
87659838	Defined_Atom_Stereo_Count	0
7474	Undefined_Bond_Stereo_Count	0
30479	Hydrogen_Bond_Acceptor_Count	5
58795738	TPSA	32.9
4917	Molecular_Weight	373.9
83953	Undefined_Atom_Stereo_Count	0
659064	Undefined_Bond_Stereo_Count	0
6918331	Covalent_Unit_Count	1
36975	Undefined_Atom_Stereo_Count	1
59296066	Molecular_Weight	487.9
117781134	Defined_Atom_Stereo_Count	2
49865919	Undefined_Atom_Stereo_Count	0
98047	Hydrogen_Bond_Donor_Count	1
13138140	Undefined_Atom_Stereo_Count	2
121719	Structure_Complexity	237
65770	Undefined_Atom_Stereo_Count	1
558359	Defined_Atom_Stereo_Count	0
2724054	Non-hydrogen_Atom_Count	31
46206296	Undefined_Bond_Stereo_Count	0
76564	Exact_Mass	338.17380
1727	Undefined_Atom_Stereo_Count	0
535634	Non-hydrogen_Atom_Count	6
44630020	Rotatable_Bond_Count	11
75310475	Defined_Bond_Stereo_Count	0
12024	XLogP3	2.3
9918581	Hydrogen_Bond_Donor_Count	4
884462	Total_Formal_Charge	0
13334303	Covalent_Unit_Count	1
6918474	Structure_Complexity	201
11240435	Undefined_Bond_Stereo_Count	0
154225133	Defined_Bond_Stereo_Count	0
27774	Covalent_Unit_Count	1
287755	Hydrogen_Bond_Donor_Count	0
93418	Defined_Atom_Stereo_Count	0
60196350	Rotatable_Bond_Count	2
62683	Defined_Bond_Stereo_Count	0
69610	Non-hydrogen_Atom_Count	5
9808	Undefined_Atom_Stereo_Count	0
123347340	TPSA	0
47884	Defined_Atom_Stereo_Count	0
8699	Tautomer_Count	10
5359421	Mono_Isotopic_Weight	287.15214353
90334	TPSA	48.1
7725	Exact_Mass	120.057514874
688095	Total_Formal_Charge	0
140565377	Molecular_Weight	181.16
13401996	Non-hydrogen_Atom_Count	6
46226173	Undefined_Bond_Stereo_Count	0
123671885	Exact_Mass	102.068079557
91384976	Isotope_Atom_Count	0
342403	Non-hydrogen_Atom_Count	10
86585	Defined_Bond_Stereo_Count	0
6158	Undefined_Bond_Stereo_Count	0
685814	TPSA	73.2
5218	Exact_Mass	436.28248899
101944072	Defined_Bond_Stereo_Count	0
20739	Mono_Isotopic_Weight	142.135765193
20684386	TPSA	20.2
4630253	Molecular_Weight	408.9
360154	Isotope_Atom_Count	0
117273842	Defined_Atom_Stereo_Count	0
590596	Rotatable_Bond_Count	0
54582799	Defined_Atom_Stereo_Count	0
548671	Hydrogen_Bond_Acceptor_Count	1
11105314	Defined_Atom_Stereo_Count	0
5059	Tautomer_Count	1
1683	Undefined_Bond_Stereo_Count	0
9871	Undefined_Atom_Stereo_Count	0
497100	Structure_Complexity	165
2565	Defined_Atom_Stereo_Count	0
4679	Hydrogen_Bond_Acceptor_Count	9
80065	Hydrogen_Bond_Donor_Count	2
6438877	Undefined_Bond_Stereo_Count	0
311434	Undefined_Bond_Stereo_Count	0
84647649	Non-hydrogen_Atom_Count	8
24290	Defined_Atom_Stereo_Count	0
1672	Undefined_Bond_Stereo_Count	0
11693521	Covalent_Unit_Count	1
92729	Mono_Isotopic_Weight	416.365430770
61071	XLogP3-AA	3.4
165637859	Total_Formal_Charge	0
20653386	Undefined_Atom_Stereo_Count	2
42510	Mono_Isotopic_Weight	293.189197746
25147683	Tautomer_Count	1
7455	Isotope_Atom_Count	0
67422305	TPSA	12
1182	Isotope_Atom_Count	0
68374679	Structure_Complexity	126
66559276	Isotope_Atom_Count	0
523224	Mono_Isotopic_Weight	110.109550447
12468302	Defined_Atom_Stereo_Count	0
13356643	TPSA	20.2
11610354	Isotope_Atom_Count	0
54467044	Total_Formal_Charge	0
139064747	Undefined_Atom_Stereo_Count	0
10901	Covalent_Unit_Count	1
2779183	Isotope_Atom_Count	0
23725082	Mono_Isotopic_Weight	723.123265
516	Defined_Bond_Stereo_Count	0
13654	Total_Formal_Charge	0
223	Defined_Atom_Stereo_Count	0
163050681	Total_Formal_Charge	0
97297	Molecular_Weight	392.15
125461706	Rotatable_Bond_Count	6
54288820	TPSA	57.5
78320408	Mono_Isotopic_Weight	518.25047541
2763080	XLogP3-AA	0.3
65590	TPSA	26
354785	XLogP3	0.2
22160	Rotatable_Bond_Count	6
5702698	Molecular_Weight	391.6
8546	Non-hydrogen_Atom_Count	29
3388301	Isotope_Atom_Count	0
71305034	Molecular_Weight	408.4
9869877	Undefined_Atom_Stereo_Count	0
49798507	XLogP3-AA	1.2
439356	Non-hydrogen_Atom_Count	15
12219458	Undefined_Bond_Stereo_Count	0
122232532	Rotatable_Bond_Count	26
122670	Mono_Isotopic_Weight	159.079647300
7153	Rotatable_Bond_Count	3
135546259	Hydrogen_Bond_Donor_Count	7
17017	Rotatable_Bond_Count	3
47035	Exact_Mass	321.21781779
5353646	Mono_Isotopic_Weight	230.0126017
6994279	TPSA	60.7
19426425	Structure_Complexity	32.9
97865	Rotatable_Bond_Count	4
6166	Mono_Isotopic_Weight	330.21949481
11170931	Hydrogen_Bond_Acceptor_Count	3
21579161	Non-hydrogen_Atom_Count	31
59557415	Undefined_Atom_Stereo_Count	0
6627	Hydrogen_Bond_Acceptor_Count	0
46204458	Molecular_Weight	554.7
154419142	Non-hydrogen_Atom_Count	8
68613	Covalent_Unit_Count	1
7043900	Undefined_Atom_Stereo_Count	0
20266	Undefined_Bond_Stereo_Count	0
53909396	Hydrogen_Bond_Donor_Count	1
4427	Isotope_Atom_Count	0
73949	Total_Formal_Charge	0
137685	Hydrogen_Bond_Donor_Count	0
11966129	Structure_Complexity	1680
84506	Hydrogen_Bond_Acceptor_Count	6
56983443	Undefined_Atom_Stereo_Count	0
20287220	Isotope_Atom_Count	0
54337282	Undefined_Bond_Stereo_Count	0
7348	Total_Formal_Charge	0
134338399	Undefined_Bond_Stereo_Count	0
6875	Non-hydrogen_Atom_Count	18
439544	Rotatable_Bond_Count	6
573744	Undefined_Atom_Stereo_Count	0
519726	TPSA	41.6
5360696	Undefined_Bond_Stereo_Count	0
25244520	Exact_Mass	166.97454984
8972	Non-hydrogen_Atom_Count	27
613144	Rotatable_Bond_Count	2
12705044	Hydrogen_Bond_Donor_Count	0
656641	Molecular_Weight	582.8
68030	Non-hydrogen_Atom_Count	8
317883	Structure_Complexity	679
4373	Mono_Isotopic_Weight	502.2194272
162883448	Undefined_Bond_Stereo_Count	0
79964	Hydrogen_Bond_Donor_Count	1
44864	Rotatable_Bond_Count	5
119058036	Hydrogen_Bond_Donor_Count	61
5362487	Rotatable_Bond_Count	0
70694239	Rotatable_Bond_Count	4
67248528	Exact_Mass	424.0989983
137941	Defined_Bond_Stereo_Count	0
9609	TPSA	25.3
20429663	Undefined_Bond_Stereo_Count	0
38013	Rotatable_Bond_Count	1
3034010	XLogP3-AA	10
49784002	Hydrogen_Bond_Acceptor_Count	5
46916694	Exact_Mass	432.15460314
819269	Hydrogen_Bond_Donor_Count	2
43725	Undefined_Atom_Stereo_Count	0
73425158	Exact_Mass	111.068413911
9396	Hydrogen_Bond_Donor_Count	0
13297	Total_Formal_Charge	0
439520	XLogP3-AA	3.6
13804	Molecular_Weight	488.32
12596780	Exact_Mass	78.010564683
57183917	Defined_Atom_Stereo_Count	0
4477	Mono_Isotopic_Weight	325.9861121
5622	Hydrogen_Bond_Acceptor_Count	8
5324584	XLogP3-AA	1.4
322148	Rotatable_Bond_Count	1
65624	Hydrogen_Bond_Donor_Count	0
67233953	Exact_Mass	403.10676552
8658	TPSA	26.3
89312617	Non-hydrogen_Atom_Count	7
10108830	XLogP3-AA	1.7
9958	Defined_Bond_Stereo_Count	0
71568	Rotatable_Bond_Count	0
73282	TPSA	141
22181555	Defined_Atom_Stereo_Count	0
21345781	Structure_Complexity	71.6
6917719	Isotope_Atom_Count	0
7597	Exact_Mass	214.062994177
92028754	Exact_Mass	69.9665510
46910264	Defined_Bond_Stereo_Count	0
221126	Hydrogen_Bond_Donor_Count	0
71762	Tautomer_Count	1001
143562	Covalent_Unit_Count	1
95299	Hydrogen_Bond_Donor_Count	2
11676068	Molecular_Weight	417.9
24848330	Molecular_Weight	329.4
5521	Mono_Isotopic_Weight	161.06056562
116489251	Hydrogen_Bond_Donor_Count	1
16759177	Tautomer_Count	13
13293131	Exact_Mass	109.052763847
6604189	Hydrogen_Bond_Donor_Count	0
134694146	Defined_Atom_Stereo_Count	6
56340	XLogP3-AA	3.3
83679654	Hydrogen_Bond_Acceptor_Count	3
96458	XLogP3-AA	6
72149	Hydrogen_Bond_Acceptor_Count	5
23987	Undefined_Bond_Stereo_Count	0
22348641	Defined_Atom_Stereo_Count	0
16218641	Undefined_Atom_Stereo_Count	0
5462350	Hydrogen_Bond_Acceptor_Count	5
10254	Defined_Atom_Stereo_Count	0
103656	Hydrogen_Bond_Donor_Count	1
161830	Mono_Isotopic_Weight	266.85305
52948174	TPSA	77.2
6896	Isotope_Atom_Count	0
20055294	Covalent_Unit_Count	1
135399833	Covalent_Unit_Count	4
123628	Undefined_Atom_Stereo_Count	0
219050	Exact_Mass	346.204513457
69160	Covalent_Unit_Count	1
135542556	Defined_Atom_Stereo_Count	2
129848667	Defined_Atom_Stereo_Count	0
11784975	Tautomer_Count	2
129651092	Defined_Atom_Stereo_Count	1
544613	Hydrogen_Bond_Acceptor_Count	2
9794485	Exact_Mass	185.141578849
10510817	Hydrogen_Bond_Acceptor_Count	2
56841939	Exact_Mass	420.1928185
60873	Defined_Bond_Stereo_Count	0
15600	Covalent_Unit_Count	1
129830033	Molecular_Weight	240.56
10497540	Rotatable_Bond_Count	4
21832123	TPSA	51.8
129812304	Exact_Mass	125.95870674
708625	Defined_Bond_Stereo_Count	0
6378649	Undefined_Bond_Stereo_Count	0
99963	Non-hydrogen_Atom_Count	7
36523	TPSA	475
101260859	Isotope_Atom_Count	0
409409	Hydrogen_Bond_Acceptor_Count	2
15402	Defined_Atom_Stereo_Count	0
10273	Isotope_Atom_Count	0
146159752	Structure_Complexity	688
5257090	TPSA	80.5
6433198	Exact_Mass	829.2283373
3527810	Hydrogen_Bond_Acceptor_Count	2
14852454	Total_Formal_Charge	0
44251605	Molecular_Weight	320.4
1312	Exact_Mass	451.02941569
86170	Tautomer_Count	1
132781234	TPSA	297
101222073	Exact_Mass	646.28903092
6337614	Exact_Mass	296.188863393
1800393	Undefined_Atom_Stereo_Count	0
22323244	XLogP3-AA	1.7
101016656	Covalent_Unit_Count	5
701542	Undefined_Atom_Stereo_Count	0
14502976	Structure_Complexity	205
177085	Rotatable_Bond_Count	4
6441012	Total_Formal_Charge	0
122130461	Defined_Atom_Stereo_Count	1
6433118	Isotope_Atom_Count	0
28864	Mono_Isotopic_Weight	338.21066147
22082547	Structure_Complexity	77.7
12933282	Total_Formal_Charge	0
228006	Molecular_Weight	195.05
735950	Defined_Atom_Stereo_Count	0
21311941	Defined_Bond_Stereo_Count	0
198576	Mono_Isotopic_Weight	313.240564612
2142	TPSA	332
60529	Exact_Mass	281.1182566
4659387	Defined_Atom_Stereo_Count	0
16656889	Molecular_Weight	508.4
101248703	Hydrogen_Bond_Acceptor_Count	7
39424	Covalent_Unit_Count	2
56670458	Molecular_Weight	477.9
120507	Undefined_Bond_Stereo_Count	0
35687	Tautomer_Count	1
23663403	Structure_Complexity	525
205586	Defined_Atom_Stereo_Count	1
17607	Non-hydrogen_Atom_Count	5
155294764	Covalent_Unit_Count	1
38252	Non-hydrogen_Atom_Count	15
68157	TPSA	21.6
3658	Undefined_Atom_Stereo_Count	1
67704	Exact_Mass	104.063743068
18776	Total_Formal_Charge	0
142962972	Exact_Mass	110.073164938
13748	Hydrogen_Bond_Donor_Count	1
63260	Rotatable_Bond_Count	4
1130	Defined_Atom_Stereo_Count	0
46783224	Hydrogen_Bond_Donor_Count	3
7017747	Undefined_Bond_Stereo_Count	0
70680970	Covalent_Unit_Count	1
54023308	Non-hydrogen_Atom_Count	7
69994	Undefined_Bond_Stereo_Count	0
113027	Undefined_Bond_Stereo_Count	0
3061720	Isotope_Atom_Count	0
283654	Isotope_Atom_Count	0
447700	Hydrogen_Bond_Acceptor_Count	5
10288369	Defined_Bond_Stereo_Count	0
5281521	Total_Formal_Charge	0
21546968	Total_Formal_Charge	0
13037934	Undefined_Atom_Stereo_Count	2
24090	Undefined_Atom_Stereo_Count	1
3032915	Exact_Mass	212.10956770
6114	Covalent_Unit_Count	2
12582	Tautomer_Count	1
20431	Undefined_Atom_Stereo_Count	0
657055	Exact_Mass	180.06338810
1328	Undefined_Atom_Stereo_Count	0
140732872	Defined_Atom_Stereo_Count	0
53299334	Structure_Complexity	520
798	Non-hydrogen_Atom_Count	9
107349	XLogP3-AA	2.8
54682505	Total_Formal_Charge	0
139593369	TPSA	289
143574502	Covalent_Unit_Count	1
627816	Structure_Complexity	466
3400822	Undefined_Atom_Stereo_Count	0
230920	XLogP3	2.7
517304	Total_Formal_Charge	0
162204726	Covalent_Unit_Count	1
54511	Defined_Bond_Stereo_Count	0
159603	XLogP3-AA	1.3
34230	Molecular_Weight	725.0
129396765	Isotope_Atom_Count	0
170563	Hydrogen_Bond_Donor_Count	2
21896651	Molecular_Weight	1526.5
919	Total_Formal_Charge	0
20055397	Covalent_Unit_Count	1
9782	Rotatable_Bond_Count	2
91884833	Defined_Atom_Stereo_Count	6
17358	Isotope_Atom_Count	0
4932	Defined_Bond_Stereo_Count	0
2706	Exact_Mass	526.27913494
536683	Molecular_Weight	73.09
5816	Molecular_Weight	183.20
14992	Rotatable_Bond_Count	3
657302	Molecular_Weight	274.25
6435	Tautomer_Count	15
44430313	Total_Formal_Charge	0
87518	Non-hydrogen_Atom_Count	12
14112079	Exact_Mass	101.047678466
67254077	Undefined_Atom_Stereo_Count	0
12451640	Covalent_Unit_Count	1
57258462	Structure_Complexity	86
130124970	Defined_Bond_Stereo_Count	0
3595299	Mono_Isotopic_Weight	117.042593085
123419	Defined_Bond_Stereo_Count	0
72257	Defined_Bond_Stereo_Count	0
54561872	Molecular_Weight	95.14
24884776	Molecular_Weight	442.6
52942212	Hydrogen_Bond_Donor_Count	1
5224	Mono_Isotopic_Weight	447.26929854
9917013	Isotope_Atom_Count	0
9547919	Structure_Complexity	748
73648	Defined_Bond_Stereo_Count	0
21622656	Total_Formal_Charge	0
13814	Tautomer_Count	3
11080426	Mono_Isotopic_Weight	299.17193023
68629	Exact_Mass	266.0644474
24472	XLogP3-AA	0.6
13574950	Structure_Complexity	74.1
60196393	Defined_Bond_Stereo_Count	0
4786	Structure_Complexity	110
7105	Exact_Mass	221.084063974
163359784	Undefined_Bond_Stereo_Count	0
75548	Molecular_Weight	130.19
88332	Isotope_Atom_Count	0
129514	Molecular_Weight	431.32
467	Undefined_Atom_Stereo_Count	3
13166771	Defined_Atom_Stereo_Count	0
91825716	Defined_Atom_Stereo_Count	1
11170934	XLogP3-AA	0.7
48670	TPSA	39.2
54726193	Tautomer_Count	1000
59372	Molecular_Weight	376.4
44119664	Defined_Bond_Stereo_Count	0
201136	Defined_Bond_Stereo_Count	0
134664	XLogP3-AA	1.9
57387	Tautomer_Count	1
24199313	Undefined_Atom_Stereo_Count	5
122173994	Undefined_Atom_Stereo_Count	0
90990	Defined_Atom_Stereo_Count	0
7249	Hydrogen_Bond_Acceptor_Count	1
11194316	Defined_Bond_Stereo_Count	0
2778	Undefined_Bond_Stereo_Count	0
135019886	Exact_Mass	342.11621151
22857281	Exact_Mass	157.104085577
2543	Hydrogen_Bond_Acceptor_Count	2
12023383	Exact_Mass	102.068079557
63624	Exact_Mass	480.0989181
4351	Molecular_Weight	188.27
53943526	Hydrogen_Bond_Donor_Count	1
87457638	Exact_Mass	354.01426819
550719	Hydrogen_Bond_Acceptor_Count	3
21520336	Undefined_Bond_Stereo_Count	0
39468	TPSA	58.6
5460822	Covalent_Unit_Count	1
66624434	Hydrogen_Bond_Acceptor_Count	4
3083540	Undefined_Atom_Stereo_Count	1
68374	Tautomer_Count	9
591873	Isotope_Atom_Count	0
60165517	Rotatable_Bond_Count	5
14751894	Mono_Isotopic_Weight	100.063662883
17963347	Rotatable_Bond_Count	5
328	Isotope_Atom_Count	0
24867465	Non-hydrogen_Atom_Count	22
85979	Undefined_Atom_Stereo_Count	1
13379149	Tautomer_Count	1
163316	Molecular_Weight	187.24
21826	Undefined_Bond_Stereo_Count	0
2735362	Undefined_Bond_Stereo_Count	0
10237	Total_Formal_Charge	0
17899	Hydrogen_Bond_Donor_Count	0
984396	TPSA	102
13624042	Molecular_Weight	95.10
20782671	Non-hydrogen_Atom_Count	8
50128	Covalent_Unit_Count	2
11137	Defined_Atom_Stereo_Count	0
137994	Covalent_Unit_Count	1
27893	Undefined_Atom_Stereo_Count	1
82418996	Molecular_Weight	109.09
637892	Covalent_Unit_Count	1
524955	Non-hydrogen_Atom_Count	8
5736	Tautomer_Count	1
91489367	Non-hydrogen_Atom_Count	23
3058754	Hydrogen_Bond_Acceptor_Count	8
53999929	Defined_Bond_Stereo_Count	0
78904	Non-hydrogen_Atom_Count	10
118578546	Isotope_Atom_Count	0
6102761	Defined_Atom_Stereo_Count	3
11269429	Mono_Isotopic_Weight	394.25079494
66764350	Total_Formal_Charge	0
2064030	Defined_Atom_Stereo_Count	0
139058315	Structure_Complexity	537
146013258	Structure_Complexity	77.7
683563	Hydrogen_Bond_Donor_Count	1
122517441	Covalent_Unit_Count	1
439341	Defined_Atom_Stereo_Count	10
12647151	Exact_Mass	132.04225873
657308	Covalent_Unit_Count	2
79323705	Molecular_Weight	112.17
82718360	Undefined_Bond_Stereo_Count	0
41774	Total_Formal_Charge	0
79437	Defined_Atom_Stereo_Count	0
6435500	Undefined_Atom_Stereo_Count	1
14022519	XLogP3-AA	1.2
5271566	Exact_Mass	172.07355886
68745835	Hydrogen_Bond_Donor_Count	1
63033	Molecular_Weight	499.0
70652	Covalent_Unit_Count	1
9777579	Non-hydrogen_Atom_Count	30
11837140	Hydrogen_Bond_Donor_Count	1
49831411	Molecular_Weight	660.7
54307258	Non-hydrogen_Atom_Count	7
2762918	Undefined_Atom_Stereo_Count	0
20725980	Undefined_Bond_Stereo_Count	0
498142	Rotatable_Bond_Count	0
90728	Exact_Mass	116.047344113
123680261	TPSA	59.2
7017620	TPSA	38
56608900	TPSA	9.2
74581	Rotatable_Bond_Count	1
55007	Mono_Isotopic_Weight	304.088815002
136183442	Hydrogen_Bond_Acceptor_Count	8
54582513	Total_Formal_Charge	0
9952916	Hydrogen_Bond_Acceptor_Count	4
101544	Exact_Mass	323.05185141
23234	Defined_Atom_Stereo_Count	0
65093	Undefined_Atom_Stereo_Count	0
14846	Hydrogen_Bond_Acceptor_Count	2
24706	Structure_Complexity	1110
51763	Covalent_Unit_Count	2
240230	Molecular_Weight	142.24
66249	Undefined_Bond_Stereo_Count	0
54587596	Total_Formal_Charge	0
11581936	Molecular_Weight	392.5
76997	Covalent_Unit_Count	1
5317111	Structure_Complexity	457
3083714	Rotatable_Bond_Count	23
134129846	Undefined_Bond_Stereo_Count	0
79583	Defined_Bond_Stereo_Count	0
19065601	Isotope_Atom_Count	0
5226	Covalent_Unit_Count	1
16007393	Isotope_Atom_Count	0
22635267	Molecular_Weight	360.65
1785	Molecular_Weight	392.5
14305	TPSA	20.2
85768913	Hydrogen_Bond_Donor_Count	0
45357585	Undefined_Atom_Stereo_Count	0
718	Isotope_Atom_Count	0
80599	TPSA	1
18353888	Total_Formal_Charge	0
72571	Structure_Complexity	675
11450633	Covalent_Unit_Count	1
76969110	Mono_Isotopic_Weight	1140.59812858
13521834	Hydrogen_Bond_Acceptor_Count	1
5281233	Mono_Isotopic_Weight	976.37875290
11705141	Defined_Bond_Stereo_Count	0
5095	Rotatable_Bond_Count	7
15394	Molecular_Weight	84.12
409301	Tautomer_Count	1
18669	Hydrogen_Bond_Acceptor_Count	1
71562042	Hydrogen_Bond_Acceptor_Count	9
88953	Exact_Mass	409.23654186
237766	Hydrogen_Bond_Donor_Count	0
40466968	TPSA	121
90654313	Undefined_Atom_Stereo_Count	0
16315	Defined_Bond_Stereo_Count	0
927	Total_Formal_Charge	0
5248048	Covalent_Unit_Count	1
20140	Tautomer_Count	3
10337564	Molecular_Weight	344.4
535856	Hydrogen_Bond_Acceptor_Count	2
6247	Tautomer_Count	1
21117948	Hydrogen_Bond_Donor_Count	0
14163	Molecular_Weight	270.37
21362	Hydrogen_Bond_Donor_Count	6
25011729	Isotope_Atom_Count	0
6538991	Undefined_Atom_Stereo_Count	1
557796	Covalent_Unit_Count	1
15550385	Exact_Mass	276.14739250
12309464	Hydrogen_Bond_Acceptor_Count	4
67350	Structure_Complexity	338
97995	Tautomer_Count	1
1150	Defined_Atom_Stereo_Count	0
23708	Rotatable_Bond_Count	12
68629	Total_Formal_Charge	0
165151	Molecular_Weight	306.21
113415	Defined_Bond_Stereo_Count	0
143714846	Covalent_Unit_Count	1
69677	Rotatable_Bond_Count	0
3082127	Hydrogen_Bond_Acceptor_Count	4
5242420	Undefined_Bond_Stereo_Count	0
82148	Mono_Isotopic_Weight	243.125928785
12596780	Molecular_Weight	78.07
19594968	Molecular_Weight	72.11
11332471	Molecular_Weight	128.09
55804	Defined_Bond_Stereo_Count	0
135596593	Covalent_Unit_Count	1
14230	Hydrogen_Bond_Acceptor_Count	1
21824035	Rotatable_Bond_Count	0
10855	Non-hydrogen_Atom_Count	16
30550	Undefined_Atom_Stereo_Count	4
129636415	TPSA	180
3001055	Defined_Bond_Stereo_Count	1
5496540	Mono_Isotopic_Weight	1424.55613212
12852568	Rotatable_Bond_Count	0
51505	Rotatable_Bond_Count	10
8368	Isotope_Atom_Count	0
11571	Rotatable_Bond_Count	0
16726873	Molecular_Weight	517.0
116841780	Non-hydrogen_Atom_Count	8
83895	Hydrogen_Bond_Donor_Count	2
12200971	XLogP3-AA	0.3
82611	Total_Formal_Charge	0
135977933	Isotope_Atom_Count	1
73415816	Rotatable_Bond_Count	6
5284518	Exact_Mass	348.23727013
221511	Defined_Bond_Stereo_Count	0
123597800	Covalent_Unit_Count	1
12960	XLogP3-AA	0
140734	Defined_Bond_Stereo_Count	0
122023	Molecular_Weight	360.5
18430531	Structure_Complexity	77.7
2472	Molecular_Weight	373.4
7721	Non-hydrogen_Atom_Count	9
5330	Mono_Isotopic_Weight	280.06301143
68119	Hydrogen_Bond_Donor_Count	0
164072	Isotope_Atom_Count	0
92174	Non-hydrogen_Atom_Count	7
41043	Undefined_Atom_Stereo_Count	0
41092	Molecular_Weight	138.21
170327	XLogP3-AA	7.7
6227	XLogP3	0.4
10426	Undefined_Bond_Stereo_Count	0
70273609	TPSA	0
13087254	Undefined_Atom_Stereo_Count	1
21691039	Molecular_Weight	101.10
105	Hydrogen_Bond_Acceptor_Count	7
74764517	Undefined_Bond_Stereo_Count	1
119097490	Hydrogen_Bond_Acceptor_Count	2
17769620	Isotope_Atom_Count	0
7750126	Undefined_Bond_Stereo_Count	0
16426	Hydrogen_Bond_Donor_Count	1
102533943	XLogP3-AA	0.2
145820	Undefined_Atom_Stereo_Count	0
19540	Mono_Isotopic_Weight	140.156500638
68013637	Exact_Mass	342.11621151
9653	Molecular_Weight	276.4
80783	Covalent_Unit_Count	1
45934213	Hydrogen_Bond_Acceptor_Count	16
25094462	Structure_Complexity	913
20477345	Defined_Atom_Stereo_Count	0
58084	XLogP3-AA	2.6
12367600	Isotope_Atom_Count	0
10093379	Isotope_Atom_Count	0
67204829	Total_Formal_Charge	0
5459377	XLogP3-AA	11.3
91618104	Total_Formal_Charge	0
9887884	Hydrogen_Bond_Acceptor_Count	5
426	Rotatable_Bond_Count	11
5365794	Hydrogen_Bond_Donor_Count	0
4273	Structure_Complexity	551
56668931	Mono_Isotopic_Weight	354.20557608
11402147	Defined_Bond_Stereo_Count	0
25137911	Hydrogen_Bond_Donor_Count	0
23204	Molecular_Weight	204.35
70582	Molecular_Weight	328.16
17825268	Rotatable_Bond_Count	3
66081	Defined_Bond_Stereo_Count	0
13450	Tautomer_Count	81
55290205	Exact_Mass	98.048012819
9799888	Hydrogen_Bond_Donor_Count	1
5284597	TPSA	37.3
17390	Mono_Isotopic_Weight	221.141578849
15731	Defined_Bond_Stereo_Count	0
16664362	Defined_Bond_Stereo_Count	0
87998	Non-hydrogen_Atom_Count	15
135465069	Tautomer_Count	4
11356283	Mono_Isotopic_Weight	211.08445790
214321	Total_Formal_Charge	0
403805	Undefined_Bond_Stereo_Count	0
3139	Defined_Bond_Stereo_Count	0
46907953	Non-hydrogen_Atom_Count	10
7454	Hydrogen_Bond_Donor_Count	0
509147	Structure_Complexity	322
37864	TPSA	29.5
44565819	Isotope_Atom_Count	0
439356	Mono_Isotopic_Weight	203.105862047
71681634	Total_Formal_Charge	0
16138	Tautomer_Count	1
60287	Exact_Mass	263.188529040
56842207	Defined_Bond_Stereo_Count	0
447956	Defined_Bond_Stereo_Count	0
5365543	Mono_Isotopic_Weight	120.093900383
101534	TPSA	75.3
197160	Molecular_Weight	338.66
11030720	Exact_Mass	196.07355886
3801	Undefined_Bond_Stereo_Count	1
5460185	Defined_Bond_Stereo_Count	0
45055483	Covalent_Unit_Count	3
15430	Covalent_Unit_Count	1
165495	Covalent_Unit_Count	4
1150567	TPSA	38.8
534566	Covalent_Unit_Count	1
142559332	Hydrogen_Bond_Acceptor_Count	1
10285793	Tautomer_Count	1
6059187	Hydrogen_Bond_Acceptor_Count	3
14420972	Mono_Isotopic_Weight	140.076974926
54708862	Isotope_Atom_Count	0
57750312	Covalent_Unit_Count	1
117266253	Defined_Bond_Stereo_Count	0
9590	Non-hydrogen_Atom_Count	10
11712071	Molecular_Weight	450.0
12746	Rotatable_Bond_Count	0
23262319	Isotope_Atom_Count	0
13010228	Molecular_Weight	98.10
61778	Structure_Complexity	76
90315	Exact_Mass	384.18965124
92043128	Non-hydrogen_Atom_Count	53
65780	Defined_Atom_Stereo_Count	0
135509116	Covalent_Unit_Count	1
94034	Total_Formal_Charge	0
60196363	Covalent_Unit_Count	1
73234850	Hydrogen_Bond_Acceptor_Count	6
223866	Hydrogen_Bond_Donor_Count	3
3033953	Hydrogen_Bond_Acceptor_Count	9
1227	XLogP3-AA	0.3
564664	Hydrogen_Bond_Acceptor_Count	0
22859	Exact_Mass	474.01915776
4594378	Rotatable_Bond_Count	4
71517366	Structure_Complexity	1020
20728	Undefined_Atom_Stereo_Count	7
31315	TPSA	69.6
11783	Covalent_Unit_Count	1
6855	Isotope_Atom_Count	0
15620607	Isotope_Atom_Count	0
3008	Hydrogen_Bond_Donor_Count	0
445318	Non-hydrogen_Atom_Count	20
123164	Exact_Mass	14.0156500638
11081093	Isotope_Atom_Count	0
78904	Defined_Atom_Stereo_Count	0
32266	Rotatable_Bond_Count	4
643976	Structure_Complexity	844
3883	Covalent_Unit_Count	1
3085023	Tautomer_Count	2
90658992	Mono_Isotopic_Weight	260.05352843
3019	Total_Formal_Charge	0
59390227	Covalent_Unit_Count	1
77160509	Non-hydrogen_Atom_Count	6
2168	Rotatable_Bond_Count	6
19418150	Hydrogen_Bond_Acceptor_Count	0
5447	Undefined_Atom_Stereo_Count	0
4332	Rotatable_Bond_Count	13
412781	Covalent_Unit_Count	1
5324683	XLogP3-AA	1.3
131704481	Structure_Complexity	1290
445723	Total_Formal_Charge	0
2893	Total_Formal_Charge	0
58781694	Defined_Bond_Stereo_Count	0
534838	Exact_Mass	94.053098200
259992	Defined_Bond_Stereo_Count	0
69052440	Total_Formal_Charge	0
381117	Hydrogen_Bond_Acceptor_Count	5
20859	Undefined_Atom_Stereo_Count	0
18728219	TPSA	38.4
6420022	Exact_Mass	331.1161486
71460926	Isotope_Atom_Count	0
15208	Undefined_Bond_Stereo_Count	0
15951529	Exact_Mass	464.09300959
22049997	Exact_Mass	476.05471
135550179	TPSA	220
15940170	Structure_Complexity	655
78759292	Undefined_Atom_Stereo_Count	1
67533	TPSA	6.5
16757547	Exact_Mass	562.15121
135814155	Total_Formal_Charge	0
91315907	Mono_Isotopic_Weight	97.089149355
19592	XLogP3-AA	4.9
132596289	Total_Formal_Charge	0
129652160	Structure_Complexity	233
135423792	Defined_Bond_Stereo_Count	0
123913	Defined_Bond_Stereo_Count	0
63104	Undefined_Bond_Stereo_Count	0
16953	Hydrogen_Bond_Donor_Count	0
98423	Covalent_Unit_Count	1
123917	Tautomer_Count	343
14723648	Defined_Bond_Stereo_Count	0
84072504	Mono_Isotopic_Weight	113.047678466
126664809	Molecular_Weight	303.35
7421	XLogP3	1.6
21331	Undefined_Atom_Stereo_Count	0
4418048	Structure_Complexity	93.1
71681318	Defined_Atom_Stereo_Count	0
346327	Rotatable_Bond_Count	3
57395308	Molecular_Weight	616.7
11274356	Tautomer_Count	9
10186986	Rotatable_Bond_Count	12
20033044	Non-hydrogen_Atom_Count	8
123904644	Undefined_Atom_Stereo_Count	3
3916406	Covalent_Unit_Count	1
1087331	Defined_Bond_Stereo_Count	0
87363	Total_Formal_Charge	0
62705860	Exact_Mass	425.12119258
91845299	Hydrogen_Bond_Donor_Count	8
2761815	Hydrogen_Bond_Acceptor_Count	3
147522	Exact_Mass	80.05019218
27422	Structure_Complexity	104
9884833	XLogP3-AA	3.2
6431	TPSA	0
12848392	Defined_Bond_Stereo_Count	0
48671	TPSA	39.2
22269415	Mono_Isotopic_Weight	99.068413911
20674252	Non-hydrogen_Atom_Count	7
798232	Hydrogen_Bond_Acceptor_Count	3
154419142	Molecular_Weight	113.07
21694866	Defined_Atom_Stereo_Count	0
61041	Undefined_Bond_Stereo_Count	0
214038	Rotatable_Bond_Count	12
739236	Exact_Mass	239.131014166
145567316	Undefined_Bond_Stereo_Count	0
16	Isotope_Atom_Count	0
86851	Structure_Complexity	121
21252905	Non-hydrogen_Atom_Count	8
58606855	Hydrogen_Bond_Donor_Count	0
160617	Hydrogen_Bond_Donor_Count	6
89456730	Hydrogen_Bond_Acceptor_Count	2
20712539	Total_Formal_Charge	0
5364328	Exact_Mass	79.042199164
39793	Defined_Bond_Stereo_Count	0
12590282	Hydrogen_Bond_Donor_Count	0
15664	Hydrogen_Bond_Donor_Count	0
175915	Exact_Mass	250.07537038
54111851	Defined_Atom_Stereo_Count	0
9989226	Defined_Atom_Stereo_Count	0
6918474	Mono_Isotopic_Weight	215.0349209
18805	Isotope_Atom_Count	0
76007601	Total_Formal_Charge	0
448043	Isotope_Atom_Count	0
70689065	Defined_Atom_Stereo_Count	0
55255930	Isotope_Atom_Count	0
44310838	Structure_Complexity	593
67314475	Undefined_Atom_Stereo_Count	0
66783827	Non-hydrogen_Atom_Count	5
118990144	Exact_Mass	97.052763847
156428	Hydrogen_Bond_Donor_Count	4
12480949	Structure_Complexity	94.4
123422	Mono_Isotopic_Weight	148.074896272
1013376	Non-hydrogen_Atom_Count	26
67326	Undefined_Atom_Stereo_Count	0
9811353	Undefined_Atom_Stereo_Count	0
71624343	Undefined_Bond_Stereo_Count	0
14647	XLogP3-AA	4.7
15643399	Molecular_Weight	98.19
58072202	TPSA	26.3
11574638	TPSA	53.1
1616961	Non-hydrogen_Atom_Count	20
11349000	Exact_Mass	362.12127520
53432920	Hydrogen_Bond_Acceptor_Count	0
57023262	Undefined_Bond_Stereo_Count	1
20695916	Rotatable_Bond_Count	1
19938019	Undefined_Bond_Stereo_Count	0
445576	TPSA	54.4
55286482	Molecular_Weight	114.10
5365642	Total_Formal_Charge	0
118285	Hydrogen_Bond_Donor_Count	2
42552697	Rotatable_Bond_Count	4
88064	Exact_Mass	131.058243149
14831302	Rotatable_Bond_Count	2
12817960	Molecular_Weight	98.14
375	Covalent_Unit_Count	1
17946	XLogP3	2.9
12146	Molecular_Weight	142.20
5288453	Mono_Isotopic_Weight	488.12131415
71821	XLogP3-AA	4.1
134692352	Hydrogen_Bond_Donor_Count	3
12353957	Undefined_Atom_Stereo_Count	2
67214	Undefined_Bond_Stereo_Count	0
140376	Molecular_Weight	108.14
59904077	Defined_Bond_Stereo_Count	0
117899707	Structure_Complexity	74.6
5324166	Total_Formal_Charge	0
10177255	Molecular_Weight	371.8
9828138	Hydrogen_Bond_Donor_Count	3
95571	Hydrogen_Bond_Acceptor_Count	2
25190761	XLogP3-AA	3.6
155613706	Non-hydrogen_Atom_Count	8
5289547	Defined_Bond_Stereo_Count	1
5188	Structure_Complexity	455
131704316	Defined_Atom_Stereo_Count	0
65263	Rotatable_Bond_Count	32
139062655	Defined_Bond_Stereo_Count	0
25069561	Hydrogen_Bond_Acceptor_Count	9
12201380	Hydrogen_Bond_Donor_Count	0
194622	Hydrogen_Bond_Acceptor_Count	5
86210061	Structure_Complexity	267
72466	Undefined_Atom_Stereo_Count	9
22643	Mono_Isotopic_Weight	243.1026065
13676	Undefined_Atom_Stereo_Count	1
118371793	Non-hydrogen_Atom_Count	8
36272	Hydrogen_Bond_Acceptor_Count	7
115089	Tautomer_Count	45
615	Non-hydrogen_Atom_Count	14
124745612	Total_Formal_Charge	0
13129596	Covalent_Unit_Count	1
23338788	Hydrogen_Bond_Acceptor_Count	2
53643	Isotope_Atom_Count	0
636345	Defined_Bond_Stereo_Count	0
12739608	XLogP3-AA	2.8
57358782	Total_Formal_Charge	0
9847219	XLogP3-AA	4.8
545831	Covalent_Unit_Count	1
78514	Undefined_Bond_Stereo_Count	0
3852430	Mono_Isotopic_Weight	509.7086
98282	Tautomer_Count	3
11170949	XLogP3-AA	0.1
3251	TPSA	118
5495	Exact_Mass	320.11946368
52945780	Undefined_Bond_Stereo_Count	0
9048976	Rotatable_Bond_Count	7
13315542	Covalent_Unit_Count	1
85573568	Mono_Isotopic_Weight	97.063997236
12358970	Total_Formal_Charge	0
234808	Rotatable_Bond_Count	0
24745723	Exact_Mass	221.06228316
56890	Rotatable_Bond_Count	4
6918123	Isotope_Atom_Count	0
53465913	Total_Formal_Charge	0
168963	Molecular_Weight	375.75
122356	Total_Formal_Charge	0
580104	Isotope_Atom_Count	0
91468768	Molecular_Weight	108.18
4040	Hydrogen_Bond_Donor_Count	2
24946103	Hydrogen_Bond_Donor_Count	2
4745	XLogP3-AA	4.2
26369821	Covalent_Unit_Count	1
638144	Defined_Bond_Stereo_Count	1
16219567	Molecular_Weight	342.30
12529300	Isotope_Atom_Count	0
10006	Defined_Bond_Stereo_Count	0
59791	TPSA	80.6
158726884	TPSA	17.8
3294	Exact_Mass	241.07389321
73648	Undefined_Atom_Stereo_Count	0
67948733	Rotatable_Bond_Count	3
88447703	Undefined_Atom_Stereo_Count	0
153534619	Hydrogen_Bond_Acceptor_Count	2
7247	XLogP3-AA	3
59660022	Mono_Isotopic_Weight	96.057514874
114644	Isotope_Atom_Count	0
692159	Defined_Atom_Stereo_Count	0
135983	Non-hydrogen_Atom_Count	11
10887743	Rotatable_Bond_Count	26
22060156	Non-hydrogen_Atom_Count	12
64107	Tautomer_Count	8
78759283	Isotope_Atom_Count	0
101821629	Mono_Isotopic_Weight	127.964803
61103	Hydrogen_Bond_Acceptor_Count	0
146158568	Mono_Isotopic_Weight	527.23263824
5708528	Rotatable_Bond_Count	0
489	Defined_Atom_Stereo_Count	0
1068	Structure_Complexity	2.8
5746	Rotatable_Bond_Count	4
6537505	Hydrogen_Bond_Acceptor_Count	3
6435397	Defined_Atom_Stereo_Count	0
91410652	Non-hydrogen_Atom_Count	8
12313776	Isotope_Atom_Count	0
403	Covalent_Unit_Count	1
155893624	Exact_Mass	109.052763847
76973216	Tautomer_Count	1
76852230	Undefined_Atom_Stereo_Count	1
50385	Molecular_Weight	364.4
6436057	Isotope_Atom_Count	0
57773	Rotatable_Bond_Count	5
34521	Exact_Mass	207.08954328
133611945	Undefined_Bond_Stereo_Count	0
71359064	XLogP3-AA	1.1
123591	Exact_Mass	720
42268	Rotatable_Bond_Count	2
10654192	Molecular_Weight	112.13
83952	Isotope_Atom_Count	0
3081078	TPSA	23.6
3442	Rotatable_Bond_Count	4
45275554	Mono_Isotopic_Weight	492.1939613
57394706	Defined_Atom_Stereo_Count	0
31473	Defined_Bond_Stereo_Count	0
6957672	Covalent_Unit_Count	1
15178986	Total_Formal_Charge	0
12548640	Isotope_Atom_Count	0
5808	Rotatable_Bond_Count	4
2250	Defined_Bond_Stereo_Count	0
9547700	Hydrogen_Bond_Donor_Count	1
54758599	Hydrogen_Bond_Acceptor_Count	30
10608	Total_Formal_Charge	0
194674	Hydrogen_Bond_Acceptor_Count	4
21910271	Undefined_Atom_Stereo_Count	0
19607	Hydrogen_Bond_Acceptor_Count	5
349252	Total_Formal_Charge	0
19212	Defined_Atom_Stereo_Count	10
23642	Undefined_Bond_Stereo_Count	0
147912	XLogP3	4.6
89076189	Total_Formal_Charge	0
16008685	Covalent_Unit_Count	1
22817	Hydrogen_Bond_Acceptor_Count	1
20578853	Defined_Bond_Stereo_Count	0
61420	Defined_Bond_Stereo_Count	0
142994149	Undefined_Atom_Stereo_Count	0
13450501	Structure_Complexity	53.9
5068681	Defined_Atom_Stereo_Count	0
3086167	Total_Formal_Charge	0
21793339	Rotatable_Bond_Count	0
13800357	Covalent_Unit_Count	1
129695690	Defined_Bond_Stereo_Count	0
57131886	Structure_Complexity	84.4
57395975	Rotatable_Bond_Count	9
73700849	Undefined_Atom_Stereo_Count	0
202792	Exact_Mass	212.06981089
461	Total_Formal_Charge	0
190291	Tautomer_Count	2
53825954	TPSA	101
561861	Molecular_Weight	194.23
60196435	Isotope_Atom_Count	0
12031	Defined_Atom_Stereo_Count	0
11281445	Hydrogen_Bond_Donor_Count	4
64689	Hydrogen_Bond_Acceptor_Count	6
20821286	XLogP3-AA	0.8
23380334	Total_Formal_Charge	0
10167713	Undefined_Bond_Stereo_Count	0
59973	Rotatable_Bond_Count	10
55284046	Structure_Complexity	55.7
121459	Undefined_Atom_Stereo_Count	0
31335	Covalent_Unit_Count	1
12096001	Rotatable_Bond_Count	6
11389368	Hydrogen_Bond_Acceptor_Count	2
2967	Undefined_Bond_Stereo_Count	0
4369413	Mono_Isotopic_Weight	370.08480950
76743	Mono_Isotopic_Weight	309.0323340
10347891	Total_Formal_Charge	0
123737063	Structure_Complexity	65.1
11575	Mono_Isotopic_Weight	203.94360
11513	Defined_Bond_Stereo_Count	0
12950123	Non-hydrogen_Atom_Count	7
21359349	Mono_Isotopic_Weight	155.142041939
23663973	Structure_Complexity	452
14786610	Defined_Bond_Stereo_Count	0
5327150	Structure_Complexity	578
5283339	Hydrogen_Bond_Acceptor_Count	1
19101060	Defined_Bond_Stereo_Count	0
15561101	TPSA	56
46841789	Structure_Complexity	808
156599213	Defined_Atom_Stereo_Count	6
70811	Undefined_Bond_Stereo_Count	0
26136	Total_Formal_Charge	0
27422	Defined_Atom_Stereo_Count	0
53999929	Molecular_Weight	113.07
85942939	Molecular_Weight	105.14
7585	XLogP3-AA	4.8
535824	Covalent_Unit_Count	1
5287969	Defined_Bond_Stereo_Count	0
56927690	Isotope_Atom_Count	0
20137	Hydrogen_Bond_Acceptor_Count	2
20136721	Hydrogen_Bond_Donor_Count	0
8201	Covalent_Unit_Count	1
71742706	Molecular_Weight	114.14
96327588	Defined_Atom_Stereo_Count	16
119098214	Molecular_Weight	98.14
60189	Molecular_Weight	286.37
56840781	Hydrogen_Bond_Acceptor_Count	8
28064878	Rotatable_Bond_Count	1
44571098	Hydrogen_Bond_Acceptor_Count	8
2735122	Hydrogen_Bond_Donor_Count	0
71453618	Covalent_Unit_Count	1
13198341	Hydrogen_Bond_Donor_Count	3
117295	Defined_Atom_Stereo_Count	0
18728307	Structure_Complexity	77
755	Defined_Bond_Stereo_Count	0
8304	Mono_Isotopic_Weight	208.12283153
1342	Hydrogen_Bond_Donor_Count	1
12290	Non-hydrogen_Atom_Count	7
54057642	Total_Formal_Charge	0
2415	Undefined_Bond_Stereo_Count	0
11768526	Defined_Atom_Stereo_Count	0
5324278	Mono_Isotopic_Weight	87.068413911
51021	TPSA	62.9
14818493	XLogP3-AA	0.9
535623	Rotatable_Bond_Count	0
57760	Defined_Atom_Stereo_Count	0
8899	Exact_Mass	243.219829168
7892	Defined_Atom_Stereo_Count	0
44235958	Molecular_Weight	793.4
6451084	Rotatable_Bond_Count	14
687604	Hydrogen_Bond_Donor_Count	0
49288	XLogP3	1.8
52865	Defined_Atom_Stereo_Count	0
11081093	Tautomer_Count	1
9576891	Hydrogen_Bond_Acceptor_Count	5
874073	Structure_Complexity	506
26421	Defined_Atom_Stereo_Count	0
12182	Structure_Complexity	107
11521066	Exact_Mass	88.052429494
129010376	Hydrogen_Bond_Acceptor_Count	5
28125489	Undefined_Bond_Stereo_Count	0
21142	Exact_Mass	178.04773803
129833854	Hydrogen_Bond_Acceptor_Count	7
25066467	Isotope_Atom_Count	0
135471308	Covalent_Unit_Count	1
21941690	Non-hydrogen_Atom_Count	8
71171	Exact_Mass	679.26758446
20535613	Structure_Complexity	52
1546	XLogP3	0.8
7306	Defined_Bond_Stereo_Count	0
11755113	Hydrogen_Bond_Acceptor_Count	10
5274271	Undefined_Bond_Stereo_Count	0
9815689	Total_Formal_Charge	0
11286501	Defined_Bond_Stereo_Count	0
53763878	Undefined_Atom_Stereo_Count	0
5287792	Total_Formal_Charge	0
23725051	Undefined_Atom_Stereo_Count	1
5227	Defined_Atom_Stereo_Count	0
23688976	Exact_Mass	229.07485883
11954	Mono_Isotopic_Weight	135.068413911
2296	Tautomer_Count	5
5232423	XLogP3	4.7
6400	Tautomer_Count	1
21608699	Molecular_Weight	290.4
40960	Isotope_Atom_Count	0
7115	Hydrogen_Bond_Acceptor_Count	0
20041648	XLogP3-AA	0.4
93221	Non-hydrogen_Atom_Count	51
86736	Undefined_Bond_Stereo_Count	0
5311221	Structure_Complexity	526
61024	Tautomer_Count	1
131664	Total_Formal_Charge	0
11167	TPSA	44.4
32798	TPSA	80.7
123610848	TPSA	27.1
978766	Covalent_Unit_Count	1
11525116	Structure_Complexity	692
9559	Undefined_Atom_Stereo_Count	0
123519634	TPSA	0
4912932	Isotope_Atom_Count	0
1516506	Defined_Bond_Stereo_Count	0
2528	XLogP3-AA	1.9
11189402	Isotope_Atom_Count	0
11347535	Molecular_Weight	313.77
22246713	Non-hydrogen_Atom_Count	8
64371	XLogP3-AA	3.5
98047376	Hydrogen_Bond_Donor_Count	1
129822315	Mono_Isotopic_Weight	203.983424
16667743	TPSA	128
15951484	Defined_Atom_Stereo_Count	0
90334	Hydrogen_Bond_Donor_Count	1
23688461	Rotatable_Bond_Count	0
5742832	Covalent_Unit_Count	1
11787114	XLogP3-AA	1.6
68741938	Defined_Bond_Stereo_Count	0
89371029	Defined_Bond_Stereo_Count	0
10225191	Undefined_Atom_Stereo_Count	0
10297818	Structure_Complexity	552
88489334	Non-hydrogen_Atom_Count	8
4164	Undefined_Bond_Stereo_Count	0
57358493	Tautomer_Count	36
446195	Non-hydrogen_Atom_Count	17
46907787	Total_Formal_Charge	0
91700388	Defined_Bond_Stereo_Count	0
56928166	Non-hydrogen_Atom_Count	145
875202	Defined_Atom_Stereo_Count	0
24752	Rotatable_Bond_Count	8
453	Undefined_Atom_Stereo_Count	4
6620	Structure_Complexity	272
17309	Hydrogen_Bond_Donor_Count	0
32315	Defined_Atom_Stereo_Count	0
71583378	XLogP3-AA	3.4
90479783	Hydrogen_Bond_Acceptor_Count	10
66972027	Hydrogen_Bond_Acceptor_Count	2
274730	Hydrogen_Bond_Donor_Count	3
78072498	Undefined_Atom_Stereo_Count	2
1426	Undefined_Atom_Stereo_Count	1
16212969	Defined_Bond_Stereo_Count	2
13817	Molecular_Weight	680.8
447884	Total_Formal_Charge	0
13069	Rotatable_Bond_Count	0
18596	Hydrogen_Bond_Donor_Count	0
10427712	Defined_Atom_Stereo_Count	0
19078651	Hydrogen_Bond_Donor_Count	1
25171662	TPSA	117
13837	Rotatable_Bond_Count	2
12209630	Isotope_Atom_Count	0
12965	Defined_Bond_Stereo_Count	0
5362118	TPSA	135
18626413	Non-hydrogen_Atom_Count	8
25419	Undefined_Atom_Stereo_Count	0
3525005	TPSA	38.8
219081	Defined_Atom_Stereo_Count	0
504571	Undefined_Bond_Stereo_Count	0
28660	Rotatable_Bond_Count	1
11419598	Non-hydrogen_Atom_Count	31
66192	Defined_Atom_Stereo_Count	0
8348	Hydrogen_Bond_Acceptor_Count	2
4974205	Covalent_Unit_Count	1
124933	Defined_Atom_Stereo_Count	6
11197171	Isotope_Atom_Count	0
71517366	Hydrogen_Bond_Acceptor_Count	8
14416018	Non-hydrogen_Atom_Count	7
138506	Total_Formal_Charge	0
43226	Covalent_Unit_Count	1
71264	Hydrogen_Bond_Donor_Count	1
55299417	Hydrogen_Bond_Acceptor_Count	0
67611425	XLogP3-AA	1
7499	Rotatable_Bond_Count	1
70589	Undefined_Atom_Stereo_Count	0
9938	Covalent_Unit_Count	1
76054	Hydrogen_Bond_Donor_Count	1
9221	Defined_Bond_Stereo_Count	0
1317	Rotatable_Bond_Count	9
15535273	Non-hydrogen_Atom_Count	7
3661	Defined_Bond_Stereo_Count	0
5585	Hydrogen_Bond_Donor_Count	0
19070	Undefined_Atom_Stereo_Count	0
21402940	Total_Formal_Charge	0
2762785	Molecular_Weight	113.09
612130	Isotope_Atom_Count	0
119242	Total_Formal_Charge	0
24728635	Hydrogen_Bond_Donor_Count	1
2757950	Defined_Bond_Stereo_Count	0
54111	TPSA	38.8
13384041	Molecular_Weight	332.31
10046162	Undefined_Atom_Stereo_Count	0
16732312	Molecular_Weight	454.9
53674114	Undefined_Bond_Stereo_Count	0
62398693	Hydrogen_Bond_Donor_Count	1
15758	Total_Formal_Charge	0
108312	Molecular_Weight	178.27
135887824	Undefined_Atom_Stereo_Count	4
282752	Structure_Complexity	267
694743	Structure_Complexity	368
75505	Defined_Atom_Stereo_Count	0
129709955	Defined_Atom_Stereo_Count	0
266934	Hydrogen_Bond_Donor_Count	5
436515	Covalent_Unit_Count	1
21864560	Structure_Complexity	1930
95745	Hydrogen_Bond_Acceptor_Count	3
15691707	Non-hydrogen_Atom_Count	7
1481	Structure_Complexity	328
123788466	Exact_Mass	95.048347172
1756	Mono_Isotopic_Weight	187.038176411
9549213	Tautomer_Count	3
44556162	XLogP3-AA	6.2
75502	Exact_Mass	342.27700969
26956	Structure_Complexity	275
687818	Rotatable_Bond_Count	5
1803	Molecular_Weight	243.22
86277	Molecular_Weight	304.73
417753	Hydrogen_Bond_Acceptor_Count	4
21930930	Exact_Mass	108.032362755
124247	Hydrogen_Bond_Donor_Count	3
139585852	Rotatable_Bond_Count	0
50905713	Undefined_Bond_Stereo_Count	0
445995	Tautomer_Count	1
10603	Defined_Atom_Stereo_Count	0
35056	Structure_Complexity	154
449435	Defined_Bond_Stereo_Count	0
188205	Covalent_Unit_Count	1
139158	Isotope_Atom_Count	0
63142	Hydrogen_Bond_Acceptor_Count	3
53832747	Isotope_Atom_Count	0
398517	TPSA	100
131125742	Molecular_Weight	95.14
5364712	Exact_Mass	212.214015512
855423	Hydrogen_Bond_Donor_Count	1
23080868	Mono_Isotopic_Weight	111.068413911
57782	Non-hydrogen_Atom_Count	20
14707	Structure_Complexity	432
31041	Hydrogen_Bond_Acceptor_Count	1
10545	Non-hydrogen_Atom_Count	12
314	TPSA	175
3456	Structure_Complexity	440
59508	Non-hydrogen_Atom_Count	28
5717801	Molecular_Weight	479.8
14200857	Undefined_Atom_Stereo_Count	0
161764	Molecular_Weight	628.1
89456730	Rotatable_Bond_Count	0
52993101	Covalent_Unit_Count	1
12993402	Exact_Mass	252.208930132
57864687	Defined_Atom_Stereo_Count	0
54682507	Undefined_Bond_Stereo_Count	0
129627867	Defined_Atom_Stereo_Count	0
2733749	Undefined_Atom_Stereo_Count	0
12771867	Total_Formal_Charge	0
87815038	Undefined_Atom_Stereo_Count	0
60196375	Molecular_Weight	587.7
5310957	Isotope_Atom_Count	0
3063	Undefined_Atom_Stereo_Count	5
44280082	TPSA	71.5
136648	Total_Formal_Charge	0
6420023	Hydrogen_Bond_Acceptor_Count	26
5289590	Hydrogen_Bond_Donor_Count	4
137375527	Mono_Isotopic_Weight	406.04292
133688938	Rotatable_Bond_Count	7
9812645	Tautomer_Count	1001
20206050	Total_Formal_Charge	0
7225	Mono_Isotopic_Weight	133.052763847
19870792	Defined_Bond_Stereo_Count	0
127036660	Molecular_Weight	355.6
58095446	Covalent_Unit_Count	1
11306	Undefined_Atom_Stereo_Count	0
8314	Total_Formal_Charge	0
7610	Mono_Isotopic_Weight	137.084063974
3032361	Hydrogen_Bond_Acceptor_Count	2
92588	Non-hydrogen_Atom_Count	8
14581	Non-hydrogen_Atom_Count	15
58992	Tautomer_Count	3
140793266	Rotatable_Bond_Count	1
70040	Defined_Bond_Stereo_Count	0
21856472	Undefined_Bond_Stereo_Count	0
22988955	Molecular_Weight	100.12
9246	Total_Formal_Charge	0
3087722	Isotope_Atom_Count	0
88261	Mono_Isotopic_Weight	230.224580195
6359	Hydrogen_Bond_Donor_Count	0
23263244	TPSA	18.5
45256107	Defined_Atom_Stereo_Count	0
76538949	Mono_Isotopic_Weight	102.079312947
153305234	Rotatable_Bond_Count	4
576026	Molecular_Weight	188.26
6971070	Defined_Atom_Stereo_Count	0
7560	Covalent_Unit_Count	1
10632854	Exact_Mass	223.063328530
49866505	TPSA	84.5
10331863	Mono_Isotopic_Weight	240.10627659
11513733	Hydrogen_Bond_Donor_Count	0
23741	Exact_Mass	240.245315640
16058629	Defined_Bond_Stereo_Count	0
135398515	Hydrogen_Bond_Donor_Count	1
10723	Isotope_Atom_Count	0
6473883	Exact_Mass	834.54530517
19933060	Rotatable_Bond_Count	3
306049	Exact_Mass	222.0811428
84945	Molecular_Weight	483.6189
70933	Defined_Bond_Stereo_Count	0
11349170	Exact_Mass	368.19607403
68535	Undefined_Bond_Stereo_Count	0
53465	Hydrogen_Bond_Donor_Count	0
58550597	Molecular_Weight	96.13
77011628	Covalent_Unit_Count	1
55250378	Covalent_Unit_Count	1
129317940	Mono_Isotopic_Weight	412.16814520
74031	Hydrogen_Bond_Acceptor_Count	2
47462	Undefined_Atom_Stereo_Count	0
97289	Defined_Bond_Stereo_Count	0
13001614	Mono_Isotopic_Weight	115.074561919
20519089	Molecular_Weight	351.0
49867926	Undefined_Atom_Stereo_Count	0
10043211	XLogP3-AA	5.2
101946434	TPSA	0
11585872	Undefined_Bond_Stereo_Count	0
14323	Tautomer_Count	3
70680970	Molecular_Weight	472.5
5281071	Hydrogen_Bond_Acceptor_Count	4
5281072	Undefined_Bond_Stereo_Count	0
7121	Exact_Mass	182.05790880
81832	Hydrogen_Bond_Acceptor_Count	5
11154496	Defined_Atom_Stereo_Count	0
25006	Hydrogen_Bond_Acceptor_Count	1
134687906	Non-hydrogen_Atom_Count	59
449331	Exact_Mass	1099.61785045
5365794	Tautomer_Count	1
24776149	Defined_Bond_Stereo_Count	0
8651	Molecular_Weight	210.23
5459861	Structure_Complexity	176
41448	Mono_Isotopic_Weight	268.07355886
9832912	Covalent_Unit_Count	1
3798	Defined_Bond_Stereo_Count	0
11719407	Mono_Isotopic_Weight	452.1403890
2756396	Structure_Complexity	58.3
13113546	Molecular_Weight	99.13
62752	Tautomer_Count	21
5283339	Isotope_Atom_Count	0
135837103	XLogP3-AA	0.1
57346808	Hydrogen_Bond_Donor_Count	11
7558	XLogP3	3.5
57403867	Hydrogen_Bond_Donor_Count	3
69813	Covalent_Unit_Count	1
35056	Rotatable_Bond_Count	1
3016390	Mono_Isotopic_Weight	118.099379685
31284	XLogP3	6.8
175534	Undefined_Bond_Stereo_Count	0
140945	Covalent_Unit_Count	1
73697	Mono_Isotopic_Weight	204.043596145
6432517	Exact_Mass	304.240230259
101625661	Total_Formal_Charge	0
63179	Molecular_Weight	513.6
29352	Exact_Mass	152.083729621
56654130	Undefined_Bond_Stereo_Count	0
4755801	Undefined_Atom_Stereo_Count	0
10630437	Hydrogen_Bond_Donor_Count	0
51039095	Rotatable_Bond_Count	8
5282280	Hydrogen_Bond_Donor_Count	2
55652	Hydrogen_Bond_Donor_Count	0
16220118	Rotatable_Bond_Count	4
75357255	Isotope_Atom_Count	0
831	Hydrogen_Bond_Donor_Count	3
5081	TPSA	78.8
441337	Hydrogen_Bond_Acceptor_Count	5
6442568	Non-hydrogen_Atom_Count	12
9568077	Rotatable_Bond_Count	6
85695	Exact_Mass	211.06920175
1060	Hydrogen_Bond_Acceptor_Count	3
7296	Defined_Bond_Stereo_Count	0
11636795	Undefined_Bond_Stereo_Count	0
14555267	Hydrogen_Bond_Donor_Count	1
5284469	XLogP3-AA	4.7
291	Molecular_Weight	489.33
2762809	Isotope_Atom_Count	0
5459124	Undefined_Bond_Stereo_Count	0
8259	Structure_Complexity	38.5
667483	XLogP3-AA	3.8
122214804	Undefined_Bond_Stereo_Count	0
18364059	Mono_Isotopic_Weight	86.036779430
698851	Hydrogen_Bond_Donor_Count	0
9548661	Defined_Atom_Stereo_Count	10
12472552	Covalent_Unit_Count	1
9570438	Undefined_Bond_Stereo_Count	0
10031428	Non-hydrogen_Atom_Count	43
62835	Tautomer_Count	2
1549062	Molecular_Weight	268.2
17652	Defined_Bond_Stereo_Count	0
5249	Covalent_Unit_Count	1
91010248	Total_Formal_Charge	0
219093	Exact_Mass	353.0367680
46900403	Undefined_Atom_Stereo_Count	1
23663976	Tautomer_Count	1
17963347	Covalent_Unit_Count	1
6379	Covalent_Unit_Count	2
2723721	Undefined_Bond_Stereo_Count	0
23757	Covalent_Unit_Count	1
25256833	Non-hydrogen_Atom_Count	20
14236	Undefined_Bond_Stereo_Count	0
3192	Defined_Bond_Stereo_Count	0
3480590	Structure_Complexity	467
12607584	Undefined_Bond_Stereo_Count	0
11332423	Defined_Atom_Stereo_Count	0
22134406	Mono_Isotopic_Weight	113.047678466
151129985	Hydrogen_Bond_Acceptor_Count	3
11979956	TPSA	719
7090	Hydrogen_Bond_Donor_Count	1
10737	Exact_Mass	225.115364102
131747	Isotope_Atom_Count	0
139059561	Structure_Complexity	160
6422124	XLogP3-AA	2.5
67240553	Undefined_Atom_Stereo_Count	0
21867906	Covalent_Unit_Count	2
23681559	Undefined_Atom_Stereo_Count	0
210332	Mono_Isotopic_Weight	393.22770851
11446361	Hydrogen_Bond_Donor_Count	1
5713	XLogP3-AA	5.2
71808	Rotatable_Bond_Count	1
73357753	TPSA	89
25125217	Mono_Isotopic_Weight	487.18312413
700999	Rotatable_Bond_Count	2
44134949	Defined_Bond_Stereo_Count	0
123776311	Covalent_Unit_Count	1
4643	Molecular_Weight	362.5
2914	Exact_Mass	416.1754371
9811	Hydrogen_Bond_Acceptor_Count	2
23164725	Undefined_Bond_Stereo_Count	0
256019	Defined_Bond_Stereo_Count	0
5353495	Hydrogen_Bond_Acceptor_Count	15
75240	Total_Formal_Charge	0
15496999	Defined_Atom_Stereo_Count	0
656664	Mono_Isotopic_Weight	320.1291556
13331	TPSA	20.3
24550	Defined_Atom_Stereo_Count	0
4113127	Hydrogen_Bond_Donor_Count	3
9363	Total_Formal_Charge	0
22024814	Isotope_Atom_Count	0
274667	Structure_Complexity	362
3730	Undefined_Atom_Stereo_Count	3
969105	Structure_Complexity	423
70695654	Total_Formal_Charge	0
147633433	Hydrogen_Bond_Acceptor_Count	4
226102	Undefined_Atom_Stereo_Count	0
3781988	Hydrogen_Bond_Donor_Count	0
204109	Exact_Mass	381.08349271
59295968	Exact_Mass	487.1674122
15561101	Hydrogen_Bond_Donor_Count	1
567118	Mono_Isotopic_Weight	99.043261792
6082	Undefined_Bond_Stereo_Count	0
5311283	Undefined_Atom_Stereo_Count	1
10346870	XLogP3-AA	3.3
129774195	Rotatable_Bond_Count	0
18956015	Rotatable_Bond_Count	0
132451761	Non-hydrogen_Atom_Count	293
291446	Isotope_Atom_Count	0
274070	Rotatable_Bond_Count	2
21859	Undefined_Bond_Stereo_Count	0
25418	Rotatable_Bond_Count	1
5479	Defined_Bond_Stereo_Count	0
281	Undefined_Atom_Stereo_Count	0
53322430	Mono_Isotopic_Weight	320.13855916
27435	Structure_Complexity	327
22028207	Non-hydrogen_Atom_Count	7
334	Non-hydrogen_Atom_Count	29
123239	Isotope_Atom_Count	0
60946	Covalent_Unit_Count	3
96701	Hydrogen_Bond_Donor_Count	1
107166	Covalent_Unit_Count	1
13651	Undefined_Bond_Stereo_Count	0
23554324	Hydrogen_Bond_Donor_Count	2
588	Defined_Bond_Stereo_Count	0
75842	XLogP3-AA	2.5
78493	XLogP3-AA	2.1
441934	Molecular_Weight	933.1
10131842	Hydrogen_Bond_Donor_Count	0
57697	Structure_Complexity	489
96395	Total_Formal_Charge	0
124605148	Exact_Mass	665.30474055
400189	Undefined_Atom_Stereo_Count	1
46174097	XLogP3	0.6
705388	Covalent_Unit_Count	1
60769	TPSA	67.9
3081364	Total_Formal_Charge	0
73425380	Covalent_Unit_Count	1
11234052	Molecular_Weight	370.4
71584544	Defined_Bond_Stereo_Count	0
870	Non-hydrogen_Atom_Count	45
12231382	TPSA	9.2
126011	XLogP3	0.7
23471	TPSA	32.7
24706	Molecular_Weight	608.8
142965989	XLogP3-AA	5.1
9793773	Defined_Bond_Stereo_Count	0
11286230	Hydrogen_Bond_Donor_Count	12
91850189	Undefined_Bond_Stereo_Count	0
265375	Isotope_Atom_Count	0
144440	Undefined_Atom_Stereo_Count	1
121892	XLogP3-AA	2.8
19888391	Isotope_Atom_Count	0
68365444	Rotatable_Bond_Count	0
67320864	Molecular_Weight	113.11
6917681	Hydrogen_Bond_Donor_Count	3
59277756	Structure_Complexity	58.1
25887	Isotope_Atom_Count	0
22022636	Defined_Bond_Stereo_Count	0
751826	XLogP3	0.5
16217526	Defined_Bond_Stereo_Count	0
131003005	Isotope_Atom_Count	0
26662	Hydrogen_Bond_Donor_Count	0
900	Undefined_Bond_Stereo_Count	0
148763531	Defined_Atom_Stereo_Count	0
10130120	Non-hydrogen_Atom_Count	10
20055400	Tautomer_Count	1
443042	Rotatable_Bond_Count	4
134826704	Hydrogen_Bond_Acceptor_Count	17
23681217	TPSA	81.6
23682187	Rotatable_Bond_Count	5
11181	Structure_Complexity	79.8
17928	Hydrogen_Bond_Donor_Count	1
16116961	Non-hydrogen_Atom_Count	35
3082718	Exact_Mass	390.1265688
71675	Exact_Mass	259.1127773
16049024	Total_Formal_Charge	0
55973	Undefined_Atom_Stereo_Count	0
443310	Covalent_Unit_Count	1
120942	Total_Formal_Charge	4
177976	Mono_Isotopic_Weight	375.16818752
143051390	Rotatable_Bond_Count	2
10295295	Isotope_Atom_Count	0
130285	TPSA	42
92546	Covalent_Unit_Count	1
72700	Isotope_Atom_Count	0
10579	XLogP3-AA	7
90530	Covalent_Unit_Count	1
71306415	TPSA	210
134688093	Exact_Mass	804.46599222
971023	Rotatable_Bond_Count	6
53846424	TPSA	60.7
34237	Undefined_Bond_Stereo_Count	0
129630288	Rotatable_Bond_Count	4
7463	Total_Formal_Charge	0
222155	Rotatable_Bond_Count	5
15184871	Exact_Mass	82.053098200
10964423	Undefined_Atom_Stereo_Count	1
544588	Defined_Bond_Stereo_Count	0
13803506	Mono_Isotopic_Weight	108.093900383
71733	Structure_Complexity	287
265652	Exact_Mass	106.00885060
72871	Defined_Atom_Stereo_Count	0
168263	Structure_Complexity	83.5
54686183	Undefined_Atom_Stereo_Count	0
54046302	Covalent_Unit_Count	1
71681166	Isotope_Atom_Count	0
138059757	Non-hydrogen_Atom_Count	31
6975516	Covalent_Unit_Count	1
628949	Tautomer_Count	3
2117002	Isotope_Atom_Count	0
575609	Total_Formal_Charge	0
93125	Total_Formal_Charge	0
5280343	Total_Formal_Charge	0
2136	Isotope_Atom_Count	0
5281609	Hydrogen_Bond_Acceptor_Count	10
141697522	TPSA	110
5962	Covalent_Unit_Count	1
19962896	Mono_Isotopic_Weight	96.068748264
18622	Covalent_Unit_Count	1
57750369	Defined_Atom_Stereo_Count	0
20351642	Mono_Isotopic_Weight	254.08171824
6884	Tautomer_Count	1
67277	Undefined_Bond_Stereo_Count	0
118098295	Hydrogen_Bond_Acceptor_Count	11
19843	XLogP3-AA	0.7
82326	Undefined_Atom_Stereo_Count	0
8500	Mono_Isotopic_Weight	134.073164938
71142	Non-hydrogen_Atom_Count	28
90485	Mono_Isotopic_Weight	206.094294304
6437065	Covalent_Unit_Count	2
13400657	Non-hydrogen_Atom_Count	7
5429	Total_Formal_Charge	0
66602237	Isotope_Atom_Count	0
151182	Structure_Complexity	285
7287	Hydrogen_Bond_Donor_Count	1
71663	Undefined_Bond_Stereo_Count	2
17163	XLogP3-AA	5.4
42509	Isotope_Atom_Count	0
9835303	Total_Formal_Charge	0
4723	Covalent_Unit_Count	1
90498	Mono_Isotopic_Weight	84.068748264
21547072	Undefined_Atom_Stereo_Count	0
64658	Structure_Complexity	387
994627	Non-hydrogen_Atom_Count	27
71395877	Isotope_Atom_Count	0
22020761	Defined_Bond_Stereo_Count	0
51380895	Hydrogen_Bond_Donor_Count	1
39066	Isotope_Atom_Count	0
14872976	Structure_Complexity	65.1
79961	Structure_Complexity	59.7
7407	Total_Formal_Charge	0
11976366	Defined_Atom_Stereo_Count	0
22833502	Mono_Isotopic_Weight	289.920654
83960	Defined_Bond_Stereo_Count	0
44310513	Total_Formal_Charge	0
6604876	Covalent_Unit_Count	1
11574	TPSA	0
6479653	TPSA	355
131698425	Rotatable_Bond_Count	1
124723	Exact_Mass	128.058577502
51021	Defined_Bond_Stereo_Count	0
21750168	Rotatable_Bond_Count	1
498142	Hydrogen_Bond_Donor_Count	4
9910975	Structure_Complexity	544
20095	Rotatable_Bond_Count	2
53931	Molecular_Weight	277.19
55303612	Mono_Isotopic_Weight	113.047678466
69332506	Rotatable_Bond_Count	0
97702695	Hydrogen_Bond_Donor_Count	2
90127662	Exact_Mass	112.088815002
605877	Non-hydrogen_Atom_Count	19
582056	Undefined_Bond_Stereo_Count	0
11383075	Undefined_Atom_Stereo_Count	0
44792	Exact_Mass	173.177964357
5351154	Exact_Mass	184.11849242
609	Non-hydrogen_Atom_Count	16
102004607	Hydrogen_Bond_Donor_Count	17
69242	Undefined_Bond_Stereo_Count	0
24360	Total_Formal_Charge	0
2393	Defined_Atom_Stereo_Count	0
6843	XLogP3	3.1
18929959	Total_Formal_Charge	0
447661	Covalent_Unit_Count	1
42608159	XLogP3-AA	4.5
2797779	Defined_Atom_Stereo_Count	0
10396821	Exact_Mass	116.047344113
79484	TPSA	57.5
28230148	TPSA	93.2
14678668	Hydrogen_Bond_Acceptor_Count	2
3810	Rotatable_Bond_Count	7
15983966	Covalent_Unit_Count	1
3418	Total_Formal_Charge	0
44570889	Total_Formal_Charge	0
9834591	Isotope_Atom_Count	0
93320	Defined_Bond_Stereo_Count	0
120095	XLogP3-AA	1
41743	Hydrogen_Bond_Acceptor_Count	3
445354	Defined_Bond_Stereo_Count	4
156594090	Total_Formal_Charge	0
1636	Exact_Mass	488.13412551
83569	Isotope_Atom_Count	0
6420	Undefined_Atom_Stereo_Count	0
86607	TPSA	46.5
656321	Hydrogen_Bond_Donor_Count	1
5284	XLogP3-AA	7
22636846	Structure_Complexity	124
40466924	Hydrogen_Bond_Donor_Count	1
22502	Defined_Bond_Stereo_Count	0
135457035	Undefined_Bond_Stereo_Count	0
71624469	Rotatable_Bond_Count	1
78747	Isotope_Atom_Count	0
22054419	TPSA	34.9
44445686	Mono_Isotopic_Weight	416.32904526
78031	Mono_Isotopic_Weight	229.99456046
11890	Undefined_Atom_Stereo_Count	0
2077	Structure_Complexity	591
190	Defined_Atom_Stereo_Count	0
139291730	Undefined_Atom_Stereo_Count	0
93513	Undefined_Bond_Stereo_Count	0
43517	Mono_Isotopic_Weight	301.11365002
10772937	Isotope_Atom_Count	0
441244	Defined_Atom_Stereo_Count	0
4584	Non-hydrogen_Atom_Count	57
25227436	Mono_Isotopic_Weight	428.1727518
68137	Structure_Complexity	202
15670683	Molecular_Weight	87.12
24214097	Undefined_Atom_Stereo_Count	0
68986097	Mono_Isotopic_Weight	766.33349644
11769408	Exact_Mass	195.125928785
62963	Undefined_Bond_Stereo_Count	0
28280	Hydrogen_Bond_Donor_Count	6
24838350	Undefined_Atom_Stereo_Count	1
96638024	TPSA	25.2
44570851	Isotope_Atom_Count	0
10171487	TPSA	73.4
11837140	Exact_Mass	260.94488788
276224	Structure_Complexity	77.7
66330	XLogP3	3
21031014	XLogP3-AA	0.3
135300	Hydrogen_Bond_Donor_Count	0
126963424	Hydrogen_Bond_Donor_Count	0
16258	Exact_Mass	163.026943022
59169	Hydrogen_Bond_Acceptor_Count	2
719018	Covalent_Unit_Count	1
5289158	Rotatable_Bond_Count	2
44350128	XLogP3-AA	1.5
544137	Non-hydrogen_Atom_Count	8
10082421	TPSA	46.5
18757414	Covalent_Unit_Count	1
91469693	Covalent_Unit_Count	1
71305034	Structure_Complexity	636
25058173	Total_Formal_Charge	0
17880	Isotope_Atom_Count	0
153274329	Undefined_Bond_Stereo_Count	0
45116667	XLogP3-AA	0.4
23332	Hydrogen_Bond_Acceptor_Count	5
14954	TPSA	55.4
703965	Mono_Isotopic_Weight	218.05138412
9226	Covalent_Unit_Count	1
14923878	TPSA	0
16211197	Hydrogen_Bond_Acceptor_Count	5
8791	TPSA	26.3
60196380	Defined_Atom_Stereo_Count	0
13795006	Undefined_Bond_Stereo_Count	0
123167244	Undefined_Bond_Stereo_Count	0
158294441	Hydrogen_Bond_Donor_Count	1
68266	Exact_Mass	146.073164938
70864	Total_Formal_Charge	0
131254	Structure_Complexity	729
9827103	Hydrogen_Bond_Acceptor_Count	12
14133354	TPSA	21.8
27882	Hydrogen_Bond_Acceptor_Count	2
3014106	Hydrogen_Bond_Donor_Count	0
2347	Defined_Bond_Stereo_Count	0
75531	Defined_Atom_Stereo_Count	0
12606301	Defined_Atom_Stereo_Count	0
497300	Defined_Bond_Stereo_Count	0
51299	Defined_Atom_Stereo_Count	0
42610	Structure_Complexity	521
19471	XLogP3-AA	0.1
23114997	Exact_Mass	100.088815002
1396	Hydrogen_Bond_Acceptor_Count	7
31284	Defined_Atom_Stereo_Count	0
1549133	XLogP3-AA	4.4
9271	Exact_Mass	411.771136
243556	Undefined_Bond_Stereo_Count	0
10351656	Hydrogen_Bond_Acceptor_Count	2
24472	Defined_Atom_Stereo_Count	0
9085	Structure_Complexity	189
118158	Non-hydrogen_Atom_Count	6
22392829	Undefined_Bond_Stereo_Count	0
17882722	Molecular_Weight	114.10
20426485	Exact_Mass	100.088815002
1615208	Defined_Bond_Stereo_Count	0
159374	Hydrogen_Bond_Donor_Count	0
84715993	Hydrogen_Bond_Donor_Count	1
11937	Total_Formal_Charge	0
136594	Tautomer_Count	1
5368076	Non-hydrogen_Atom_Count	12
28430	Total_Formal_Charge	0
11349389	Isotope_Atom_Count	0
71463896	Undefined_Bond_Stereo_Count	0
689013	Total_Formal_Charge	0
10310138	Total_Formal_Charge	0
2764838	Hydrogen_Bond_Donor_Count	0
101543	Hydrogen_Bond_Donor_Count	5
59894	Defined_Bond_Stereo_Count	0
162404783	Structure_Complexity	79.1
8974	Defined_Bond_Stereo_Count	0
85989631	Hydrogen_Bond_Donor_Count	0
5521	Non-hydrogen_Atom_Count	10
5367460	Structure_Complexity	327
159747	Non-hydrogen_Atom_Count	11
70694228	Rotatable_Bond_Count	9
22245467	TPSA	127
15655	Molecular_Weight	86.09
824609	Mono_Isotopic_Weight	312.0777887
7853	Exact_Mass	57.057849228
23567810	Structure_Complexity	111
141350819	Structure_Complexity	107
38970	Isotope_Atom_Count	0
94021	Mono_Isotopic_Weight	212.14124450
134694678	Molecular_Weight	585.7
49871818	Structure_Complexity	706
164946845	Hydrogen_Bond_Acceptor_Count	19
13394149	Mono_Isotopic_Weight	429.05183761
453359	Undefined_Atom_Stereo_Count	0
5283393	Hydrogen_Bond_Acceptor_Count	1
87216	Hydrogen_Bond_Donor_Count	4
59910362	Undefined_Atom_Stereo_Count	1
6154037	Tautomer_Count	2
11815817	Undefined_Bond_Stereo_Count	0
8015	Defined_Bond_Stereo_Count	0
71587428	Covalent_Unit_Count	5
79127	Mono_Isotopic_Weight	108.093900383
693502	Isotope_Atom_Count	0
104933	Hydrogen_Bond_Donor_Count	1
5289547	Molecular_Weight	344.5
51947	Exact_Mass	376.09977
6360	XLogP3-AA	2.1
8160	Covalent_Unit_Count	1
11532248	Undefined_Bond_Stereo_Count	0
71458869	Defined_Atom_Stereo_Count	0
96428	Structure_Complexity	243
5310969	Undefined_Bond_Stereo_Count	0
53079	Structure_Complexity	287
9570639	Total_Formal_Charge	0
2791	Hydrogen_Bond_Acceptor_Count	6
46780152	Structure_Complexity	688
74441087	Undefined_Atom_Stereo_Count	1
90016	Undefined_Bond_Stereo_Count	0
3776	Tautomer_Count	6
123809	Hydrogen_Bond_Donor_Count	11
19594968	Isotope_Atom_Count	0
52508	Undefined_Atom_Stereo_Count	1
12487265	Molecular_Weight	116.11
20752353	Undefined_Bond_Stereo_Count	0
12742	Hydrogen_Bond_Donor_Count	0
13205839	Isotope_Atom_Count	0
65894	Rotatable_Bond_Count	3
55423	Undefined_Atom_Stereo_Count	0
85546	Undefined_Bond_Stereo_Count	0
4872633	Isotope_Atom_Count	0
11617	Undefined_Atom_Stereo_Count	0
3394	TPSA	37.3
13848	Covalent_Unit_Count	1
71152	Covalent_Unit_Count	1
44208919	Hydrogen_Bond_Acceptor_Count	5
27145	Undefined_Atom_Stereo_Count	0
85979179	XLogP3-AA	0.7
638678	Covalent_Unit_Count	1
197148	Isotope_Atom_Count	0
54075	Total_Formal_Charge	0
10017019	Exact_Mass	288.00106
41368	Non-hydrogen_Atom_Count	20
5284361	Undefined_Atom_Stereo_Count	6
80283	Mono_Isotopic_Weight	103.063328530
7021156	Rotatable_Bond_Count	4
72758	Tautomer_Count	2
25780	TPSA	39.7
129721137	Isotope_Atom_Count	0
5259916	Molecular_Weight	114.10
20055424	XLogP3-AA	2.7
840260	Structure_Complexity	400
10900	Tautomer_Count	1
32468	TPSA	89.8
11083822	Hydrogen_Bond_Acceptor_Count	1
3089	Defined_Atom_Stereo_Count	0
3229	Defined_Bond_Stereo_Count	0
164	Defined_Atom_Stereo_Count	0
6805	Mono_Isotopic_Weight	237.935512
9820186	Structure_Complexity	484
39176	Molecular_Weight	114.19
13933900	TPSA	35.3
16221	Hydrogen_Bond_Donor_Count	0
168924	Hydrogen_Bond_Donor_Count	0
16224456	Exact_Mass	609.26612791
89053237	Molecular_Weight	107.11
12029691	Undefined_Bond_Stereo_Count	0
66141	Undefined_Bond_Stereo_Count	0
89149682	Molecular_Weight	101.15
5282367	Undefined_Atom_Stereo_Count	0
515443	Undefined_Bond_Stereo_Count	0
45356876	Hydrogen_Bond_Donor_Count	1
13696436	Undefined_Bond_Stereo_Count	0
12328	Hydrogen_Bond_Donor_Count	1
120574	Undefined_Atom_Stereo_Count	0
198231	Rotatable_Bond_Count	3
12286866	TPSA	33
6917941	Covalent_Unit_Count	3
5284516	Defined_Atom_Stereo_Count	2
6224	Exact_Mass	257.97283534
21401558	Defined_Atom_Stereo_Count	0
5215	Hydrogen_Bond_Donor_Count	2
17778639	Non-hydrogen_Atom_Count	6
24756910	Covalent_Unit_Count	1
68976065	Covalent_Unit_Count	1
62321	Molecular_Weight	224.34
46204403	Structure_Complexity	77
3779	Hydrogen_Bond_Acceptor_Count	4
24203	Rotatable_Bond_Count	0
83167	Structure_Complexity	299
65730	Isotope_Atom_Count	0
38963	Mono_Isotopic_Weight	392.1502850
565593	Undefined_Atom_Stereo_Count	0
119097769	Defined_Atom_Stereo_Count	0
25171648	Undefined_Atom_Stereo_Count	0
56603655	XLogP3-AA	0.5
8868	Tautomer_Count	5
21558567	Non-hydrogen_Atom_Count	7
53808	Mono_Isotopic_Weight	276.0553220
274412	Non-hydrogen_Atom_Count	8
20490762	TPSA	62.8
12540907	TPSA	37.4
5071	Undefined_Atom_Stereo_Count	1
69334703	Undefined_Bond_Stereo_Count	0
71737800	Defined_Bond_Stereo_Count	0
96289	Structure_Complexity	133
70046010	Structure_Complexity	108
133562683	Isotope_Atom_Count	0
90258	Covalent_Unit_Count	1
6442	Defined_Atom_Stereo_Count	0
50112	Molecular_Weight	1473.6
18380143	Undefined_Bond_Stereo_Count	0
28774	Undefined_Bond_Stereo_Count	0
45269673	Hydrogen_Bond_Donor_Count	1
12302675	Covalent_Unit_Count	1
29878	Defined_Bond_Stereo_Count	0
12295187	Covalent_Unit_Count	1
2745687	Hydrogen_Bond_Acceptor_Count	7
6436140	Mono_Isotopic_Weight	516.04095583
16987	Mono_Isotopic_Weight	251.9937843
40240	Non-hydrogen_Atom_Count	29
11510567	Defined_Bond_Stereo_Count	0
23724817	Isotope_Atom_Count	0
533909	TPSA	35.2
206	Mono_Isotopic_Weight	180.06338810
59867303	Non-hydrogen_Atom_Count	8
44237360	Non-hydrogen_Atom_Count	44
54293066	Defined_Bond_Stereo_Count	0
213020	Undefined_Atom_Stereo_Count	0
61362	TPSA	17.1
25113157	TPSA	178
7861	TPSA	9.2
6918078	Mono_Isotopic_Weight	400.18456586
79076	Hydrogen_Bond_Acceptor_Count	7
14453685	Undefined_Atom_Stereo_Count	2
24883	TPSA	0
12576852	Non-hydrogen_Atom_Count	8
79117672	Mono_Isotopic_Weight	111.068413911
10221470	Non-hydrogen_Atom_Count	20
139758	Exact_Mass	164.156500638
135018	Structure_Complexity	460
71433133	Covalent_Unit_Count	1
71081	Hydrogen_Bond_Donor_Count	0
11287722	XLogP3-AA	2.7
15699917	Covalent_Unit_Count	1
73480	Hydrogen_Bond_Donor_Count	2
44280082	Undefined_Bond_Stereo_Count	0
22833326	Hydrogen_Bond_Donor_Count	0
15875	Undefined_Bond_Stereo_Count	0
22600970	Defined_Bond_Stereo_Count	0
95997	Undefined_Atom_Stereo_Count	0
65584	Non-hydrogen_Atom_Count	12
53731118	Hydrogen_Bond_Acceptor_Count	1
7566944	Defined_Bond_Stereo_Count	0
16106	Defined_Bond_Stereo_Count	0
13531445	Isotope_Atom_Count	0
10866310	Molecular_Weight	116.20
7092	Structure_Complexity	220
6447131	Molecular_Weight	810.4
146159143	Covalent_Unit_Count	1
3437	Undefined_Bond_Stereo_Count	0
6914273	Mono_Isotopic_Weight	314.06511943
136224833	Non-hydrogen_Atom_Count	69
62932	Total_Formal_Charge	0
69834	Hydrogen_Bond_Donor_Count	0
160434	Structure_Complexity	118
11675641	Defined_Atom_Stereo_Count	0
90429111	Total_Formal_Charge	0
13804280	Defined_Bond_Stereo_Count	0
11651921	TPSA	110
54760130	Hydrogen_Bond_Donor_Count	2
44120020	Non-hydrogen_Atom_Count	36
5484735	Tautomer_Count	14
9797055	Defined_Bond_Stereo_Count	0
67406	Defined_Bond_Stereo_Count	0
180576	Rotatable_Bond_Count	3
44565777	Undefined_Bond_Stereo_Count	0
11263488	Undefined_Bond_Stereo_Count	0
24750	Tautomer_Count	1
91936940	Undefined_Atom_Stereo_Count	0
68510675	Total_Formal_Charge	0
42095	Hydrogen_Bond_Acceptor_Count	5
79488	Hydrogen_Bond_Acceptor_Count	1
44916	Defined_Atom_Stereo_Count	0
18502	TPSA	29.4
142551	Tautomer_Count	1
70969	Tautomer_Count	1
252499	TPSA	38.7
9803788	Undefined_Bond_Stereo_Count	0
13624608	Exact_Mass	189.053826475
7076	Undefined_Atom_Stereo_Count	0
134129158	Total_Formal_Charge	0
258030	Total_Formal_Charge	0
17806258	Mono_Isotopic_Weight	107.037113783
70693548	Total_Formal_Charge	0
2723699	Tautomer_Count	2
6410758	Total_Formal_Charge	0
447340	Hydrogen_Bond_Acceptor_Count	3
855556	Exact_Mass	293.08341252
63985	Hydrogen_Bond_Acceptor_Count	6
57545	Total_Formal_Charge	0
44629805	Covalent_Unit_Count	2
5352982	Total_Formal_Charge	0
12486323	Mono_Isotopic_Weight	120.078644241
177708	Non-hydrogen_Atom_Count	1
86439	Mono_Isotopic_Weight	433.0539994
27236	Undefined_Bond_Stereo_Count	0
14862984	Total_Formal_Charge	0
21666609	Total_Formal_Charge	0
73093	Rotatable_Bond_Count	9
12560	Hydrogen_Bond_Acceptor_Count	14
41505	Covalent_Unit_Count	1
6866	Hydrogen_Bond_Acceptor_Count	1
725692	Total_Formal_Charge	0
151114	Non-hydrogen_Atom_Count	39
292283	Undefined_Atom_Stereo_Count	0
2224	Defined_Bond_Stereo_Count	0
53316398	Covalent_Unit_Count	3
15559706	Mono_Isotopic_Weight	385.816009
16049374	Mono_Isotopic_Weight	481.1260618
14041489	Isotope_Atom_Count	0
81426	Isotope_Atom_Count	0
16682738	TPSA	52.6
52949465	Undefined_Atom_Stereo_Count	0
23528316	Mono_Isotopic_Weight	113.058911855
18924037	Undefined_Bond_Stereo_Count	0
8497	Hydrogen_Bond_Donor_Count	1
243415	Defined_Bond_Stereo_Count	0
57073922	Undefined_Atom_Stereo_Count	1
35908	TPSA	41.6
5284369	Covalent_Unit_Count	1
6273	Defined_Bond_Stereo_Count	0
846297	Defined_Bond_Stereo_Count	0
4224596	XLogP3	2.3
21019405	TPSA	50.1
22212137	Covalent_Unit_Count	1
12162479	Undefined_Bond_Stereo_Count	0
23286	Undefined_Bond_Stereo_Count	0
888457	Exact_Mass	341.0488569
64017	Defined_Atom_Stereo_Count	0
135209752	Non-hydrogen_Atom_Count	8
20473149	Defined_Atom_Stereo_Count	0
64948	Defined_Atom_Stereo_Count	0
25622	Undefined_Bond_Stereo_Count	0
5462099	Tautomer_Count	1
14221	Hydrogen_Bond_Acceptor_Count	1
31005	Hydrogen_Bond_Acceptor_Count	2
10298	Hydrogen_Bond_Acceptor_Count	3
15460	Hydrogen_Bond_Acceptor_Count	0
1669	Mono_Isotopic_Weight	167.094628657
6324604	Molecular_Weight	458.0
3117357	Rotatable_Bond_Count	1
70590037	Non-hydrogen_Atom_Count	37
72921	Exact_Mass	123.068413911
818256	Defined_Bond_Stereo_Count	0
21483017	Structure_Complexity	100
15078	Hydrogen_Bond_Donor_Count	3
90488875	Covalent_Unit_Count	3
57401196	Structure_Complexity	637
19738210	Defined_Atom_Stereo_Count	0
60724	XLogP3-AA	2.6
102249560	Rotatable_Bond_Count	2
98265	Structure_Complexity	71.1
67535	Rotatable_Bond_Count	1
124328800	Undefined_Atom_Stereo_Count	0
22314	Molecular_Weight	382.6
84215	Defined_Bond_Stereo_Count	0
14294229	Undefined_Bond_Stereo_Count	0
24868267	Defined_Atom_Stereo_Count	0
73425380	Exact_Mass	684.01028135
6506250	Undefined_Atom_Stereo_Count	1
192630	Total_Formal_Charge	0
102600809	Hydrogen_Bond_Donor_Count	6
42768	Exact_Mass	520.22725974
9909677	Undefined_Bond_Stereo_Count	0
748002	Defined_Bond_Stereo_Count	0
41368	Defined_Bond_Stereo_Count	0
7173	Undefined_Atom_Stereo_Count	0
12747	Undefined_Bond_Stereo_Count	0
68321915	Exact_Mass	336.15862589
71541098	Molecular_Weight	256.17
6925	Undefined_Atom_Stereo_Count	0
53803	Total_Formal_Charge	0
825744	Mono_Isotopic_Weight	338.153146591
235970	Mono_Isotopic_Weight	434.1496163
11519741	Defined_Atom_Stereo_Count	1
78328	Hydrogen_Bond_Acceptor_Count	3
70754	Defined_Bond_Stereo_Count	0
8974	TPSA	140
10101	Defined_Atom_Stereo_Count	0
25114553	XLogP3-AA	2.4
135564980	XLogP3-AA	3.6
535479	Mono_Isotopic_Weight	82.053098200
16003	Isotope_Atom_Count	0
444022	Total_Formal_Charge	0
2218	Undefined_Bond_Stereo_Count	0
9378	Mono_Isotopic_Weight	182.05790880
53856717	Defined_Bond_Stereo_Count	0
6419708	Structure_Complexity	567
123400934	Defined_Bond_Stereo_Count	0
22491624	Total_Formal_Charge	0
46228852	Hydrogen_Bond_Acceptor_Count	7
5282165	Tautomer_Count	4
16760	TPSA	50.7
7070	Total_Formal_Charge	0
65335	Isotope_Atom_Count	0
6918096	Isotope_Atom_Count	0
32131	Hydrogen_Bond_Donor_Count	3
54453800	TPSA	54.5
74777	Total_Formal_Charge	0
23724530	Covalent_Unit_Count	1
70190	Defined_Bond_Stereo_Count	0
6604042	Structure_Complexity	198
8673	Defined_Bond_Stereo_Count	0
129800133	Defined_Bond_Stereo_Count	0
3032396	Isotope_Atom_Count	0
51381	Exact_Mass	152.083729621
90488914	Defined_Bond_Stereo_Count	0
30550	Molecular_Weight	770.6
16212746	Defined_Bond_Stereo_Count	0
6211	Non-hydrogen_Atom_Count	9
136400	Non-hydrogen_Atom_Count	13
14611919	Undefined_Bond_Stereo_Count	0
826870	TPSA	20.3
9624	Exact_Mass	179.85445
1801	Exact_Mass	160.074896272
4451502	Tautomer_Count	3
7951	Tautomer_Count	1
20055404	Rotatable_Bond_Count	7
124222418	Covalent_Unit_Count	1
12940550	Tautomer_Count	5
44669160	Defined_Atom_Stereo_Count	0
5281877	Undefined_Bond_Stereo_Count	0
10789	Total_Formal_Charge	0
13007516	Covalent_Unit_Count	1
118578546	Defined_Atom_Stereo_Count	0
138323	Exact_Mass	98.073164938
10220680	Undefined_Atom_Stereo_Count	0
980	Covalent_Unit_Count	1
19188	Covalent_Unit_Count	1
16219042	Hydrogen_Bond_Acceptor_Count	2
6436055	TPSA	232
23525700	Isotope_Atom_Count	0
12148	Exact_Mass	150.079312947
18591	Mono_Isotopic_Weight	128.156500638
1923	Hydrogen_Bond_Donor_Count	1
71624686	Hydrogen_Bond_Acceptor_Count	4
6442439	Undefined_Atom_Stereo_Count	0
2778339	Undefined_Atom_Stereo_Count	0
7021	Exact_Mass	238.08412354
13694	Hydrogen_Bond_Acceptor_Count	0
443716	Rotatable_Bond_Count	0
297777	Mono_Isotopic_Weight	413.18383758
227541	Total_Formal_Charge	0
10986200	Isotope_Atom_Count	0
141285438	Structure_Complexity	101
77843966	Tautomer_Count	308
19743370	Mono_Isotopic_Weight	116.083729621
46906319	Exact_Mass	325.14780704
25256833	Undefined_Atom_Stereo_Count	0
1871	Mono_Isotopic_Weight	175.026943022
71671	Undefined_Atom_Stereo_Count	1
5884	Mono_Isotopic_Weight	745.09110351
42609610	Tautomer_Count	11
20485709	Mono_Isotopic_Weight	109.052763847
57023262	Defined_Bond_Stereo_Count	0
4722595	Defined_Bond_Stereo_Count	0
123653016	Undefined_Atom_Stereo_Count	0
14109	Covalent_Unit_Count	1
118210118	XLogP3-AA	0
19349372	Rotatable_Bond_Count	1
22829	XLogP3-AA	3.3
505	Hydrogen_Bond_Acceptor_Count	11
153767626	TPSA	29.6
976	Undefined_Bond_Stereo_Count	0
443003	Non-hydrogen_Atom_Count	13
12556904	TPSA	37.3
13017	Total_Formal_Charge	0
124918602	Isotope_Atom_Count	0
600269	Hydrogen_Bond_Acceptor_Count	2
9823	Undefined_Atom_Stereo_Count	0
14956	Tautomer_Count	2
12921732	Hydrogen_Bond_Donor_Count	0
78160	Defined_Atom_Stereo_Count	0
5362456	Mono_Isotopic_Weight	271.157228913
93077	Undefined_Atom_Stereo_Count	0
5280795	Undefined_Atom_Stereo_Count	0
5460263	TPSA	66.2
45116665	Exact_Mass	110.084398327
440175	Covalent_Unit_Count	1
31098	Total_Formal_Charge	0
5460389	Undefined_Bond_Stereo_Count	0
7839	Rotatable_Bond_Count	1
77012	Structure_Complexity	639
118327	Non-hydrogen_Atom_Count	24
44160137	Non-hydrogen_Atom_Count	27
20838085	Hydrogen_Bond_Donor_Count	3
41912	Hydrogen_Bond_Donor_Count	1
445904	Hydrogen_Bond_Acceptor_Count	5
519186	Isotope_Atom_Count	0
155032	Rotatable_Bond_Count	8
12423177	Mono_Isotopic_Weight	113.084063974
169109	Molecular_Weight	215.25
15906	Undefined_Bond_Stereo_Count	0
41684	XLogP3-AA	2
233208	Mono_Isotopic_Weight	85.052763847
44395161	Undefined_Bond_Stereo_Count	0
25019940	Exact_Mass	557.22384613
75211	Rotatable_Bond_Count	10
68016	Rotatable_Bond_Count	1
735950	Hydrogen_Bond_Acceptor_Count	2
529341	Isotope_Atom_Count	0
22274936	Hydrogen_Bond_Acceptor_Count	7
89027467	Hydrogen_Bond_Donor_Count	0
413534	Rotatable_Bond_Count	4
54685047	Isotope_Atom_Count	0
5289295	Total_Formal_Charge	0
16131215	Hydrogen_Bond_Donor_Count	13
86585	Isotope_Atom_Count	0
158550	Defined_Atom_Stereo_Count	4
5702096	Defined_Atom_Stereo_Count	3
54475	Undefined_Bond_Stereo_Count	0
4662	Hydrogen_Bond_Donor_Count	7
5702236	Molecular_Weight	261.34
123936	Molecular_Weight	281.33
21158560	Undefined_Atom_Stereo_Count	0
441364	Total_Formal_Charge	0
48384	Hydrogen_Bond_Donor_Count	1
704528	Defined_Atom_Stereo_Count	1
3579812	Structure_Complexity	1140
91694113	Undefined_Atom_Stereo_Count	2
751	TPSA	57.5
128918	Tautomer_Count	1
9423	Molecular_Weight	254.37
2756	Undefined_Atom_Stereo_Count	0
4340561	Isotope_Atom_Count	0
6641	Molecular_Weight	270.4
69342090	Molecular_Weight	108.10
9886249	Structure_Complexity	698
55105	Molecular_Weight	306.0
11539562	Structure_Complexity	722
21445949	Hydrogen_Bond_Acceptor_Count	2
3796	Molecular_Weight	455.10
135444614	XLogP3-AA	4.3
56945145	Undefined_Atom_Stereo_Count	1
135489810	Isotope_Atom_Count	0
62015	Hydrogen_Bond_Donor_Count	0
152943	Mono_Isotopic_Weight	379.17433553
6433083	Undefined_Bond_Stereo_Count	0
44348	Tautomer_Count	1
54688694	Rotatable_Bond_Count	2
10046647	Rotatable_Bond_Count	5
91773	Rotatable_Bond_Count	4
5386	Non-hydrogen_Atom_Count	14
8534	Hydrogen_Bond_Donor_Count	3
104973	Defined_Atom_Stereo_Count	0
522621	Hydrogen_Bond_Acceptor_Count	0
133620	Structure_Complexity	275
11412863	Exact_Mass	192.0828400
78819	Defined_Bond_Stereo_Count	0
53762932	Defined_Bond_Stereo_Count	0
14563	TPSA	45.8
4369034	TPSA	221
64929	Covalent_Unit_Count	1
69640	Undefined_Bond_Stereo_Count	0
72266	Hydrogen_Bond_Acceptor_Count	8
77328	Hydrogen_Bond_Acceptor_Count	2
77541	Defined_Bond_Stereo_Count	0
198382	Exact_Mass	175.0400063
64988	Undefined_Atom_Stereo_Count	0
84647611	Non-hydrogen_Atom_Count	7
48889	Hydrogen_Bond_Donor_Count	0
30971	Isotope_Atom_Count	0
31201	Defined_Bond_Stereo_Count	0
21917310	Tautomer_Count	1
25701	Hydrogen_Bond_Donor_Count	3
604767	Mono_Isotopic_Weight	244.08644602
22401764	Undefined_Atom_Stereo_Count	0
4437320	Hydrogen_Bond_Acceptor_Count	4
11865423	Rotatable_Bond_Count	11
833992	Undefined_Bond_Stereo_Count	0
3040551	Exact_Mass	323.1288213
24556	Non-hydrogen_Atom_Count	5
35020890	TPSA	74.6
588151	Tautomer_Count	2
65478	Hydrogen_Bond_Acceptor_Count	9
59295974	Non-hydrogen_Atom_Count	38
34676239	Defined_Atom_Stereo_Count	1
20239	Covalent_Unit_Count	1
23597592	TPSA	29.5
3032854	Undefined_Atom_Stereo_Count	1
2083	Isotope_Atom_Count	0
92222	Non-hydrogen_Atom_Count	14
829	Isotope_Atom_Count	0
101656013	XLogP3-AA	4.5
14907580	XLogP3-AA	0.6
38531	Structure_Complexity	310
73241	Structure_Complexity	171
61014	Hydrogen_Bond_Donor_Count	0
16241	Total_Formal_Charge	0
10237	XLogP3-AA	2.6
56991659	Non-hydrogen_Atom_Count	8
3349	Total_Formal_Charge	0
4659569	Molecular_Weight	273.24
9895264	Covalent_Unit_Count	1
49867704	Structure_Complexity	163
5282948	Defined_Bond_Stereo_Count	2
71081	Isotope_Atom_Count	0
23305129	Hydrogen_Bond_Donor_Count	4
36906	XLogP3	1
69102	Rotatable_Bond_Count	0
6914282	Covalent_Unit_Count	1
705	Tautomer_Count	48
10047141	Undefined_Bond_Stereo_Count	0
13019077	Undefined_Bond_Stereo_Count	0
121323963	Total_Formal_Charge	0
7482	Defined_Atom_Stereo_Count	0
637541	Isotope_Atom_Count	0
34633	Rotatable_Bond_Count	6
69781756	Defined_Atom_Stereo_Count	0
147336409	Mono_Isotopic_Weight	94.078250319
16141649	Non-hydrogen_Atom_Count	125
77077	Defined_Atom_Stereo_Count	0
7597	Molecular_Weight	214.22
10960	Covalent_Unit_Count	1
2971	Mono_Isotopic_Weight	322.21440943
6973628	Hydrogen_Bond_Donor_Count	0
11173546	Covalent_Unit_Count	1
688930	Non-hydrogen_Atom_Count	20
17016	Non-hydrogen_Atom_Count	10
30140	Non-hydrogen_Atom_Count	10
18075	Tautomer_Count	20
18852	Undefined_Atom_Stereo_Count	0
14324	Isotope_Atom_Count	0
14274724	Undefined_Bond_Stereo_Count	0
75516	Total_Formal_Charge	0
31000	Molecular_Weight	277.23
989	Non-hydrogen_Atom_Count	9
6437064	Undefined_Atom_Stereo_Count	0
19082030	Defined_Atom_Stereo_Count	0
16134395	Total_Formal_Charge	0
110789	TPSA	20.2
24841	Defined_Atom_Stereo_Count	0
21787	Defined_Atom_Stereo_Count	0
11789136	Isotope_Atom_Count	0
638105	XLogP3-AA	0.1
9956	Defined_Atom_Stereo_Count	0
5388962	Covalent_Unit_Count	1
54367722	Defined_Atom_Stereo_Count	0
259821	Undefined_Atom_Stereo_Count	0
5464262	Covalent_Unit_Count	4
93083	Non-hydrogen_Atom_Count	6
36890	Tautomer_Count	2
23283113	TPSA	0
13991589	Isotope_Atom_Count	0
940892	Covalent_Unit_Count	1
41872	Rotatable_Bond_Count	2
97597	Total_Formal_Charge	0
24776140	Undefined_Bond_Stereo_Count	0
11408688	Defined_Bond_Stereo_Count	0
731361	Undefined_Bond_Stereo_Count	1
23681217	Exact_Mass	206.06673650
13050832	Defined_Bond_Stereo_Count	0
251504	Exact_Mass	113.047678466
69310	Mono_Isotopic_Weight	554.45463969
21041051	Covalent_Unit_Count	1
65394	Isotope_Atom_Count	0
5359541	Isotope_Atom_Count	0
5353758	Defined_Atom_Stereo_Count	0
3724921	Mono_Isotopic_Weight	114.104465066
95043	Total_Formal_Charge	0
587311	Rotatable_Bond_Count	2
2309	Hydrogen_Bond_Acceptor_Count	5
105970	Structure_Complexity	393
558889	Total_Formal_Charge	0
66028	Defined_Bond_Stereo_Count	0
409747	Structure_Complexity	61.2
13848132	Total_Formal_Charge	0
6657	Molecular_Weight	103.12
3262018	Hydrogen_Bond_Acceptor_Count	3
6450232	Molecular_Weight	373.4
56927690	Defined_Atom_Stereo_Count	0
4916	Non-hydrogen_Atom_Count	21
2746	Covalent_Unit_Count	1
57395977	Structure_Complexity	570
8069	Defined_Atom_Stereo_Count	0
37829	XLogP3-AA	2.4
17132	Isotope_Atom_Count	0
5464200	Undefined_Bond_Stereo_Count	0
26314	Mono_Isotopic_Weight	900.21723713
688691	XLogP3-AA	2
138370	XLogP3-AA	3.1
22836365	Molecular_Weight	181.15
46883307	Undefined_Bond_Stereo_Count	0
7713	Total_Formal_Charge	0
449331	Rotatable_Bond_Count	31
122403016	Hydrogen_Bond_Acceptor_Count	97
83193	TPSA	30.4
319715	Undefined_Atom_Stereo_Count	2
5288606	Molecular_Weight	259.09
90478690	Rotatable_Bond_Count	6
674188	Total_Formal_Charge	0
69885	Hydrogen_Bond_Donor_Count	0
25512	Hydrogen_Bond_Donor_Count	0
140625088	Mono_Isotopic_Weight	284.16237386
12297	Hydrogen_Bond_Donor_Count	1
58270418	Covalent_Unit_Count	1
21553255	Structure_Complexity	76.2
78644	Defined_Atom_Stereo_Count	0
102503853	Undefined_Atom_Stereo_Count	0
4359	Undefined_Atom_Stereo_Count	0
53384934	Hydrogen_Bond_Donor_Count	7
74760	Hydrogen_Bond_Acceptor_Count	2
168131	Total_Formal_Charge	1
21538770	Total_Formal_Charge	0
65014	Defined_Atom_Stereo_Count	0
18212	Mono_Isotopic_Weight	197.12766012
8208	Tautomer_Count	1
16113378	Hydrogen_Bond_Donor_Count	1
23663992	Defined_Bond_Stereo_Count	1
4005	Rotatable_Bond_Count	5
162379291	Defined_Atom_Stereo_Count	0
134688930	Hydrogen_Bond_Donor_Count	1
23378249	Non-hydrogen_Atom_Count	11
68081017	Defined_Atom_Stereo_Count	0
15457	Rotatable_Bond_Count	4
10614	Covalent_Unit_Count	1
71311141	Undefined_Bond_Stereo_Count	0
33515	Hydrogen_Bond_Donor_Count	0
3826	Hydrogen_Bond_Donor_Count	1
2844	Hydrogen_Bond_Donor_Count	5
19350299	XLogP3-AA	0
638011	Hydrogen_Bond_Donor_Count	0
91933514	Structure_Complexity	3700
73889	Structure_Complexity	397
20395	XLogP3-AA	4.3
71541174	Non-hydrogen_Atom_Count	23
2722	TPSA	33.1
4113	Covalent_Unit_Count	1
12160932	Defined_Atom_Stereo_Count	0
81093	Undefined_Atom_Stereo_Count	0
6629	Non-hydrogen_Atom_Count	11
153386860	Non-hydrogen_Atom_Count	8
970440	Non-hydrogen_Atom_Count	22
22082536	XLogP3-AA	1.2
22836365	Exact_Mass	181.06674293
2708	Hydrogen_Bond_Acceptor_Count	3
6869	Non-hydrogen_Atom_Count	24
954673	Isotope_Atom_Count	0
15774	Exact_Mass	481.20108287
152274	Total_Formal_Charge	0
12589	Total_Formal_Charge	0
139080466	Defined_Atom_Stereo_Count	2
95890	Hydrogen_Bond_Donor_Count	0
13023574	Hydrogen_Bond_Donor_Count	3
16013	Undefined_Atom_Stereo_Count	0
76292	Undefined_Atom_Stereo_Count	0
1355	Rotatable_Bond_Count	1
5281082	Structure_Complexity	659
3791	XLogP3	2.1
5527	Isotope_Atom_Count	0
2772	Exact_Mass	489.11515669
11589590	Undefined_Bond_Stereo_Count	0
101254315	Undefined_Atom_Stereo_Count	0
26388	Exact_Mass	445.14938408
25181577	Undefined_Atom_Stereo_Count	0
163050677	Molecular_Weight	284.35
3329	Exact_Mass	285.06709375
610	TPSA	127
135444779	Covalent_Unit_Count	1
70580528	Structure_Complexity	773
54601877	Defined_Atom_Stereo_Count	0
55294	Undefined_Atom_Stereo_Count	0
64033	Hydrogen_Bond_Acceptor_Count	5
11282394	Exact_Mass	452.13186158
3996620	Exact_Mass	231.07696722
40428463	Hydrogen_Bond_Donor_Count	0
12350	TPSA	0
160368576	Exact_Mass	114.02900871
5413034	Non-hydrogen_Atom_Count	19
9446	Covalent_Unit_Count	1
112029	Isotope_Atom_Count	0
77245	Total_Formal_Charge	0
129696858	TPSA	116
16224456	Tautomer_Count	1
11084586	Rotatable_Bond_Count	6
118969738	Mono_Isotopic_Weight	113.03892530
9340	Molecular_Weight	286.8
6918580	Isotope_Atom_Count	0
4914498	TPSA	20.2
67807	Tautomer_Count	1
8763	Rotatable_Bond_Count	11
829795	Hydrogen_Bond_Donor_Count	2
10007	Undefined_Bond_Stereo_Count	0
94175	Molecular_Weight	324.4
6254	XLogP3-AA	2.7
540987	Mono_Isotopic_Weight	388.20971797
6611744	Isotope_Atom_Count	0
12453880	Undefined_Bond_Stereo_Count	0
721861	Non-hydrogen_Atom_Count	14
5282468	Non-hydrogen_Atom_Count	41
18414892	Hydrogen_Bond_Acceptor_Count	4
160534	Structure_Complexity	86.9
141772581	Total_Formal_Charge	0
9856149	Defined_Bond_Stereo_Count	1
39356	Isotope_Atom_Count	0
10785	Molecular_Weight	114.14
86278438	XLogP3-AA	3.1
101916	Rotatable_Bond_Count	0
87098264	Undefined_Bond_Stereo_Count	0
7017843	Defined_Bond_Stereo_Count	0
77574	Isotope_Atom_Count	0
136364887	Isotope_Atom_Count	0
9739	Undefined_Bond_Stereo_Count	0
10313382	Undefined_Atom_Stereo_Count	0
68682560	TPSA	128
130411460	Defined_Bond_Stereo_Count	1
67511	Defined_Bond_Stereo_Count	0
67947	Rotatable_Bond_Count	1
88767	Molecular_Weight	355.3
19989310	Isotope_Atom_Count	0
19927	Non-hydrogen_Atom_Count	7
6328526	Covalent_Unit_Count	2
5336	Defined_Bond_Stereo_Count	0
135398513	Exact_Mass	225.08618923
56955071	Molecular_Weight	339.4
20696068	Hydrogen_Bond_Donor_Count	1
24958200	Structure_Complexity	449
216992	Total_Formal_Charge	0
9571009	Total_Formal_Charge	0
5370052	Total_Formal_Charge	0
151449	TPSA	20.2
118596336	Total_Formal_Charge	0
75705	Defined_Bond_Stereo_Count	0
5311057	Undefined_Atom_Stereo_Count	0
591683	Defined_Atom_Stereo_Count	0
67175581	Defined_Atom_Stereo_Count	0
70677	Mono_Isotopic_Weight	444.00685688
656980	Structure_Complexity	146
138023	Undefined_Atom_Stereo_Count	2
578771	Undefined_Bond_Stereo_Count	0
6995749	Defined_Atom_Stereo_Count	0
70265544	XLogP3-AA	1.2
25171662	XLogP3-AA	2.1
10017019	Undefined_Bond_Stereo_Count	0
10290773	Hydrogen_Bond_Acceptor_Count	3
57535	Rotatable_Bond_Count	8
68858	Mono_Isotopic_Weight	277.146664230
3078519	Rotatable_Bond_Count	2
9812414	Rotatable_Bond_Count	10
23675341	Covalent_Unit_Count	2
23982	Rotatable_Bond_Count	0
71695437	TPSA	33
102019	Mono_Isotopic_Weight	161.0607417
17038	Exact_Mass	348.907860
104746	Undefined_Bond_Stereo_Count	0
8022	Defined_Bond_Stereo_Count	0
647	Rotatable_Bond_Count	5
44468216	Tautomer_Count	3
5288674	Undefined_Bond_Stereo_Count	0
123801	Structure_Complexity	174
25231140	Rotatable_Bond_Count	3
46936871	Defined_Atom_Stereo_Count	5
71411033	Rotatable_Bond_Count	1
37612	TPSA	37
71081	Structure_Complexity	60.5
5081356	Structure_Complexity	1080
22320	Structure_Complexity	64.6
66248	Hydrogen_Bond_Acceptor_Count	3
11833	Defined_Atom_Stereo_Count	0
3515	Exact_Mass	198.140850574
54178	Total_Formal_Charge	0
7941	XLogP3	3.7
140982253	Hydrogen_Bond_Acceptor_Count	1
5230726	Mono_Isotopic_Weight	264.175224706
6975	Covalent_Unit_Count	1
82789	Defined_Bond_Stereo_Count	0
13400658	Molecular_Weight	87.12
5281075	XLogP3	2.9
135410917	Defined_Atom_Stereo_Count	0
19784171	TPSA	29.1
25210	Undefined_Bond_Stereo_Count	0
701651	TPSA	58
3033012	Rotatable_Bond_Count	5
229295	Mono_Isotopic_Weight	410.28209507
59904965	Structure_Complexity	0
138442	Undefined_Atom_Stereo_Count	0
70722	Undefined_Bond_Stereo_Count	0
3984	Structure_Complexity	458
13424661	TPSA	126
8494	XLogP3	1.4
19993419	Hydrogen_Bond_Donor_Count	1
27387	Non-hydrogen_Atom_Count	21
61295	XLogP3-AA	1.6
3744783	Undefined_Bond_Stereo_Count	0
81831	Defined_Bond_Stereo_Count	0
138677	Hydrogen_Bond_Donor_Count	1
69089	XLogP3-AA	1.9
22961298	Isotope_Atom_Count	0
12309464	Total_Formal_Charge	0
79346	XLogP3-AA	0.5
2846928	Undefined_Atom_Stereo_Count	0
443310	Mono_Isotopic_Weight	852.38063989
5351564	Undefined_Bond_Stereo_Count	0
54033886	Isotope_Atom_Count	0
5284579	Isotope_Atom_Count	0
55595	Defined_Bond_Stereo_Count	0
11733	Hydrogen_Bond_Donor_Count	0
1550694	Molecular_Weight	360.5
3079842	Isotope_Atom_Count	0
16212746	Undefined_Atom_Stereo_Count	0
66144	TPSA	43.4
44244962	Undefined_Bond_Stereo_Count	0
31272	XLogP3	1.8
56949517	Structure_Complexity	643
96261	Covalent_Unit_Count	1
19241	Tautomer_Count	1
161930	Hydrogen_Bond_Donor_Count	2
163685	Structure_Complexity	511
4389	Exact_Mass	215.07937252
29675	Isotope_Atom_Count	0
7170	Rotatable_Bond_Count	5
64402	Tautomer_Count	1
68234591	XLogP3-AA	1.1
24006	Structure_Complexity	70.8
89487	TPSA	20.2
4282864	Non-hydrogen_Atom_Count	58
44414758	TPSA	55.1
78412	Tautomer_Count	1
4369579	Isotope_Atom_Count	0
15565266	Hydrogen_Bond_Acceptor_Count	2
202792	Defined_Atom_Stereo_Count	0
123481823	Covalent_Unit_Count	1
88709052	Undefined_Atom_Stereo_Count	2
8271	Undefined_Bond_Stereo_Count	0
23947	Undefined_Atom_Stereo_Count	0
60184	Molecular_Weight	368.5
45116609	Molecular_Weight	101.15
9223	Hydrogen_Bond_Acceptor_Count	1
4162420	Covalent_Unit_Count	1
9884817	Non-hydrogen_Atom_Count	25
81110	Undefined_Bond_Stereo_Count	0
9176	Exact_Mass	278.109550447
12375133	Covalent_Unit_Count	1
54682938	Undefined_Bond_Stereo_Count	0
23663404	Defined_Atom_Stereo_Count	5
6603806	Defined_Atom_Stereo_Count	1
12268623	Structure_Complexity	122
41287	Hydrogen_Bond_Donor_Count	1
46900403	Structure_Complexity	468
233085	Hydrogen_Bond_Acceptor_Count	4
132939820	Mono_Isotopic_Weight	181.06674293
614	Undefined_Bond_Stereo_Count	0
24771	Non-hydrogen_Atom_Count	4
590556	Exact_Mass	148.03851076
779179	Undefined_Atom_Stereo_Count	0
137843	Rotatable_Bond_Count	2
123914282	Undefined_Bond_Stereo_Count	0
66105	Molecular_Weight	354.4
28540	Hydrogen_Bond_Acceptor_Count	2
78160	Defined_Bond_Stereo_Count	0
13224	Non-hydrogen_Atom_Count	12
13379559	Structure_Complexity	111
2277	Total_Formal_Charge	0
522769	Total_Formal_Charge	0
105426925	Undefined_Bond_Stereo_Count	0
10887840	Hydrogen_Bond_Donor_Count	1
5240	Structure_Complexity	42.9
107780	Rotatable_Bond_Count	6
3983	Rotatable_Bond_Count	24
94834	Rotatable_Bond_Count	0
11587639	Molecular_Weight	310.4
19918535	Structure_Complexity	65.1
8528	Molecular_Weight	335.4
57399796	Covalent_Unit_Count	1
2933256	Covalent_Unit_Count	1
86083878	TPSA	0
87110	Exact_Mass	151.0188769
23675242	Tautomer_Count	1
526624	Covalent_Unit_Count	1
19040543	Defined_Bond_Stereo_Count	0
69137	Isotope_Atom_Count	0
10286159	Defined_Atom_Stereo_Count	3
51030987	Structure_Complexity	647
28839	Undefined_Bond_Stereo_Count	0
429734	Undefined_Bond_Stereo_Count	0
5280440	Defined_Bond_Stereo_Count	2
66063	Hydrogen_Bond_Acceptor_Count	2
9936727	Defined_Bond_Stereo_Count	0
94154	Total_Formal_Charge	0
54332589	Undefined_Bond_Stereo_Count	1
14742703	Exact_Mass	349.16779360
20312691	TPSA	53.3
71584166	Undefined_Atom_Stereo_Count	0
16129759	Undefined_Atom_Stereo_Count	20
107275	Defined_Bond_Stereo_Count	0
6973628	Isotope_Atom_Count	0
11749756	Rotatable_Bond_Count	10
10027781	Covalent_Unit_Count	1
24721009	Tautomer_Count	1
115811143	Mono_Isotopic_Weight	110.073164938
56	Undefined_Bond_Stereo_Count	8
168707	Undefined_Atom_Stereo_Count	0
46883935	Total_Formal_Charge	0
68116	Structure_Complexity	202
135409836	Hydrogen_Bond_Donor_Count	6
21886	Hydrogen_Bond_Acceptor_Count	2
444493	Non-hydrogen_Atom_Count	51
564664	Mono_Isotopic_Weight	108.093900383
524667	Structure_Complexity	62.4
44207128	XLogP3-AA	7.4
33013	Rotatable_Bond_Count	5
57406911	Non-hydrogen_Atom_Count	32
9848989	TPSA	62.2
984396	Structure_Complexity	598
3032600	Defined_Bond_Stereo_Count	0
157849	Isotope_Atom_Count	0
60196385	Defined_Atom_Stereo_Count	0
32767	XLogP3-AA	3.6
19649	TPSA	336
23642275	Rotatable_Bond_Count	2
95187	Undefined_Atom_Stereo_Count	0
77828	Defined_Bond_Stereo_Count	0
23581796	XLogP3	2.7
6918283	TPSA	239
62080	Undefined_Bond_Stereo_Count	0
8602	Hydrogen_Bond_Acceptor_Count	2
16212969	Rotatable_Bond_Count	2
3514	Total_Formal_Charge	0
71986	Total_Formal_Charge	0
39605	Non-hydrogen_Atom_Count	6
24776154	Defined_Atom_Stereo_Count	0
74651	Mono_Isotopic_Weight	166.062994177
53316138	TPSA	170
13613	XLogP3	0.9
57621	Molecular_Weight	403.9
17916	Hydrogen_Bond_Donor_Count	1
108218	Rotatable_Bond_Count	5
154826	Exact_Mass	339.16708015
237662	Total_Formal_Charge	0
54584753	Isotope_Atom_Count	0
71482	Hydrogen_Bond_Acceptor_Count	7
71455485	Non-hydrogen_Atom_Count	35
75066	Undefined_Atom_Stereo_Count	0
31075	Mono_Isotopic_Weight	294.173213330
14798	Defined_Bond_Stereo_Count	0
9548889	Defined_Atom_Stereo_Count	0
22037858	Exact_Mass	86.011627311
65776	Defined_Bond_Stereo_Count	0
5020	Tautomer_Count	268
6433266	Tautomer_Count	1
75320	Total_Formal_Charge	0
519247	XLogP3-AA	1.1
53446942	Covalent_Unit_Count	1
11704019	TPSA	59.4
86805	TPSA	82
74098	Non-hydrogen_Atom_Count	15
11610354	Undefined_Atom_Stereo_Count	0
29249	Isotope_Atom_Count	0
21987892	Molecular_Weight	206.35
21100	Rotatable_Bond_Count	4
104746	Tautomer_Count	2
136572	Hydrogen_Bond_Donor_Count	0
2734229	Structure_Complexity	206
44241743	Structure_Complexity	799
1551553	Undefined_Bond_Stereo_Count	0
65258	Undefined_Atom_Stereo_Count	0
24086	Defined_Atom_Stereo_Count	5
10154	Structure_Complexity	461
25273609	Defined_Bond_Stereo_Count	0
9571009	Undefined_Atom_Stereo_Count	1
22596604	Defined_Bond_Stereo_Count	0
60942	Defined_Bond_Stereo_Count	0
5360970	Defined_Atom_Stereo_Count	6
2777208	Covalent_Unit_Count	1
9022	XLogP3-AA	2.1
42754	Total_Formal_Charge	0
7853	Isotope_Atom_Count	0
8674	Mono_Isotopic_Weight	303.97114494
143403310	Hydrogen_Bond_Donor_Count	2
1189	TPSA	146
10707	TPSA	91.6
24825270	Total_Formal_Charge	0
5282474	Non-hydrogen_Atom_Count	35
162639137	Exact_Mass	422.15115773
54680783	XLogP3-AA	1.7
5281764	Defined_Atom_Stereo_Count	2
112553	Mono_Isotopic_Weight	168.115029749
117938207	Isotope_Atom_Count	0
27893	Non-hydrogen_Atom_Count	8
254129	Rotatable_Bond_Count	2
3637	TPSA	63.8
9414	Defined_Atom_Stereo_Count	0
12412244	Undefined_Atom_Stereo_Count	0
643189	Hydrogen_Bond_Acceptor_Count	1
11970126	Non-hydrogen_Atom_Count	12
104904	Total_Formal_Charge	0
19608838	TPSA	41.6
19828393	XLogP3-AA	0.9
15559317	Exact_Mass	842.51400504
2151	Hydrogen_Bond_Donor_Count	1
94973	Molecular_Weight	110.11
3871	Mono_Isotopic_Weight	344.13186158
7955	Undefined_Atom_Stereo_Count	0
73355083	Mono_Isotopic_Weight	408.1153171
21322859	TPSA	20.3
64968	Hydrogen_Bond_Acceptor_Count	14
50543	Covalent_Unit_Count	1
73386890	Total_Formal_Charge	0
10909564	Isotope_Atom_Count	0
10176216	Covalent_Unit_Count	4
69862751	Undefined_Bond_Stereo_Count	0
101082	Defined_Bond_Stereo_Count	0
43899	Mono_Isotopic_Weight	626.15537
5743568	TPSA	104
3549191	Covalent_Unit_Count	1
84647603	Isotope_Atom_Count	0
11573395	Mono_Isotopic_Weight	325.157897619
941	Molecular_Weight	336.21
22234	Non-hydrogen_Atom_Count	12
93146	Covalent_Unit_Count	1
5068775	Hydrogen_Bond_Acceptor_Count	2
4739262	Structure_Complexity	475
21450	Hydrogen_Bond_Acceptor_Count	3
62411	Exact_Mass	174.08920892
134976	Molecular_Weight	222.24
71459167	Rotatable_Bond_Count	5
4659	Covalent_Unit_Count	5
22277879	Mono_Isotopic_Weight	116.083729621
13992155	XLogP3-AA	6.6
67403	Undefined_Bond_Stereo_Count	0
54007	Defined_Bond_Stereo_Count	0
97747	Rotatable_Bond_Count	11
285886	Molecular_Weight	284.3
63546	Covalent_Unit_Count	1
17845830	Mono_Isotopic_Weight	113.058911855
5556	Rotatable_Bond_Count	1
38316	Molecular_Weight	191.23
329	Hydrogen_Bond_Acceptor_Count	8
66376	Non-hydrogen_Atom_Count	1
94781	Rotatable_Bond_Count	4
166585863	Defined_Atom_Stereo_Count	0
476	Isotope_Atom_Count	0
55264361	Mono_Isotopic_Weight	99.068413911
22349965	Undefined_Bond_Stereo_Count	0
45140016	Defined_Bond_Stereo_Count	1
5364598	Hydrogen_Bond_Donor_Count	0
19044091	Isotope_Atom_Count	0
16114404	Undefined_Atom_Stereo_Count	0
75321	Defined_Bond_Stereo_Count	0
9983746	Rotatable_Bond_Count	3
14454	Mono_Isotopic_Weight	102.104465066
287983	Non-hydrogen_Atom_Count	6
139059144	Non-hydrogen_Atom_Count	19
131705644	Hydrogen_Bond_Donor_Count	8
21040078	Hydrogen_Bond_Donor_Count	1
57396473	Undefined_Atom_Stereo_Count	0
161209	Undefined_Atom_Stereo_Count	1
73278	Covalent_Unit_Count	1
443869	TPSA	114
246728	TPSA	17.1
542158	Isotope_Atom_Count	0
146157736	Covalent_Unit_Count	1
6424	Molecular_Weight	310.81
136796	Hydrogen_Bond_Acceptor_Count	0
10330781	XLogP3	0.9
62583	Defined_Bond_Stereo_Count	0
57475	Hydrogen_Bond_Donor_Count	2
19549	Molecular_Weight	199.63
9889867	Isotope_Atom_Count	0
57429842	Molecular_Weight	114.14
70235	Covalent_Unit_Count	1
9819610	Non-hydrogen_Atom_Count	23
23335676	Isotope_Atom_Count	0
54726191	Defined_Bond_Stereo_Count	0
58505	TPSA	86.9
60196345	Hydrogen_Bond_Acceptor_Count	6
600809	TPSA	26
61199	Mono_Isotopic_Weight	142.062994177
134283942	TPSA	20.3
6587	Rotatable_Bond_Count	0
2110	TPSA	83.6
24595	Tautomer_Count	1
11073365	Isotope_Atom_Count	0
19095	Molecular_Weight	494.5
53878449	Rotatable_Bond_Count	0
21827	XLogP3-AA	1
87485	Exact_Mass	200.03813935
53485229	Defined_Bond_Stereo_Count	0
80108693	Rotatable_Bond_Count	1
15257141	Total_Formal_Charge	0
135814	Exact_Mass	296.17360725
13528037	Tautomer_Count	7
40537360	Undefined_Bond_Stereo_Count	0
143588	TPSA	0
93186	Structure_Complexity	136
24744154	Defined_Bond_Stereo_Count	0
3033818	Non-hydrogen_Atom_Count	24
72571	TPSA	117
161729	Total_Formal_Charge	0
57104	TPSA	104
18199	Hydrogen_Bond_Acceptor_Count	2
117783900	Undefined_Atom_Stereo_Count	3
5064	Hydrogen_Bond_Acceptor_Count	7
60160561	Non-hydrogen_Atom_Count	40
56841872	Mono_Isotopic_Weight	392.19990218
59277765	Undefined_Atom_Stereo_Count	0
5458585	Rotatable_Bond_Count	15
12210218	Total_Formal_Charge	0
57345538	Undefined_Atom_Stereo_Count	0
101982233	Structure_Complexity	0
83372	TPSA	45.8
5819	Isotope_Atom_Count	0
85145	Rotatable_Bond_Count	16
68600	XLogP3-AA	3.7
23247721	Defined_Atom_Stereo_Count	2
222465	Undefined_Atom_Stereo_Count	0
1609	Isotope_Atom_Count	0
5366074	Molecular_Weight	190.28
7909	Total_Formal_Charge	0
4890	Tautomer_Count	2
673473	Isotope_Atom_Count	0
4636051	Mono_Isotopic_Weight	385.94736
1717915	Defined_Bond_Stereo_Count	0
220936	TPSA	54.4
45357473	Undefined_Atom_Stereo_Count	3
53385491	Defined_Bond_Stereo_Count	3
9840517	Defined_Atom_Stereo_Count	1
126968472	Rotatable_Bond_Count	2
5702220	Total_Formal_Charge	0
86015488	Non-hydrogen_Atom_Count	8
101684738	Structure_Complexity	133
448	XLogP3	0.9
19006610	Exact_Mass	114.104465066
15365	Covalent_Unit_Count	1
447001	Mono_Isotopic_Weight	302.08923998
2992	Exact_Mass	212.10485899
139024314	TPSA	60.7
134731361	Hydrogen_Bond_Acceptor_Count	16
45791180	Non-hydrogen_Atom_Count	7
90993	Mono_Isotopic_Weight	244.121177757
44305779	Exact_Mass	500.05177
134694634	XLogP3-AA	6
54942	TPSA	50.8
450598	TPSA	83.6
446504	Covalent_Unit_Count	1
9994296	Defined_Bond_Stereo_Count	0
21417010	Defined_Bond_Stereo_Count	0
9819043	Undefined_Bond_Stereo_Count	0
70008	Rotatable_Bond_Count	0
67502	Undefined_Bond_Stereo_Count	0
121596688	Exact_Mass	1564.87256155
13511919	Isotope_Atom_Count	0
70310	Undefined_Atom_Stereo_Count	0
6328534	Defined_Atom_Stereo_Count	0
30627	Rotatable_Bond_Count	10
38771	Non-hydrogen_Atom_Count	14
11953895	Mono_Isotopic_Weight	297.948962
154256	Tautomer_Count	15
736104	Structure_Complexity	248
1892	Hydrogen_Bond_Donor_Count	1
11062308	Undefined_Atom_Stereo_Count	0
24848367	Hydrogen_Bond_Acceptor_Count	3
559740	Defined_Bond_Stereo_Count	0
15808	Non-hydrogen_Atom_Count	15
25243830	Covalent_Unit_Count	1
67713	Rotatable_Bond_Count	1
519514	TPSA	12.5
20811708	Hydrogen_Bond_Donor_Count	0
1935	Covalent_Unit_Count	1
34072	Isotope_Atom_Count	0
155713	TPSA	57.6
30323	Mono_Isotopic_Weight	527.17914612
86063	Non-hydrogen_Atom_Count	13
6258	Defined_Atom_Stereo_Count	0
49800054	XLogP3	3.4
5236	Rotatable_Bond_Count	0
146157955	Rotatable_Bond_Count	8
67113727	TPSA	30.3
21618092	Exact_Mass	111.104799419
23724526	TPSA	46.5
11083833	Undefined_Atom_Stereo_Count	0
9432	Hydrogen_Bond_Acceptor_Count	2
301520	Defined_Bond_Stereo_Count	0
71237	Hydrogen_Bond_Acceptor_Count	8
8949	Total_Formal_Charge	0
601880	TPSA	63.6
200424	Undefined_Atom_Stereo_Count	0
5062223	Undefined_Bond_Stereo_Count	0
36822	Hydrogen_Bond_Acceptor_Count	2
150310	Non-hydrogen_Atom_Count	30
12537312	Mono_Isotopic_Weight	110.073164938
1463	Undefined_Bond_Stereo_Count	0
22421116	Hydrogen_Bond_Donor_Count	0
24900813	XLogP3-AA	3
60078648	TPSA	110
5469424	Non-hydrogen_Atom_Count	25
627254	Defined_Bond_Stereo_Count	0
11551	Defined_Atom_Stereo_Count	0
7906	Hydrogen_Bond_Donor_Count	0
11517146	XLogP3-AA	4.3
58611	Defined_Bond_Stereo_Count	0
89395924	Hydrogen_Bond_Donor_Count	1
6604334	Mono_Isotopic_Weight	842.51400504
1223	Total_Formal_Charge	0
5317	Covalent_Unit_Count	1
83967	Mono_Isotopic_Weight	312.07799279
71371762	Molecular_Weight	96.13
78747	Defined_Atom_Stereo_Count	0
21058	Structure_Complexity	273
14238	Undefined_Bond_Stereo_Count	1
78398	Defined_Atom_Stereo_Count	0
14930278	Isotope_Atom_Count	0
81226	Total_Formal_Charge	0
567	Exact_Mass	279.009769
71773445	TPSA	297
6453	Structure_Complexity	400
101589314	Undefined_Atom_Stereo_Count	2
24648	Isotope_Atom_Count	0
208922	Hydrogen_Bond_Donor_Count	0
5988	Structure_Complexity	395
5335	Non-hydrogen_Atom_Count	22
8875	Structure_Complexity	451
99905	Total_Formal_Charge	0
108043	Undefined_Bond_Stereo_Count	0
10047141	Rotatable_Bond_Count	5
87140770	Total_Formal_Charge	0
13317841	Molecular_Weight	112.13
14909259	Undefined_Bond_Stereo_Count	0
15133384	Isotope_Atom_Count	0
316542	Rotatable_Bond_Count	3
61100	Molecular_Weight	234.28
3413668	XLogP3-AA	5
65731	Undefined_Bond_Stereo_Count	0
44417326	Hydrogen_Bond_Donor_Count	3
2803172	Exact_Mass	223.08579531
56962215	Hydrogen_Bond_Donor_Count	1
165901	Mono_Isotopic_Weight	307.0975211
153442	Total_Formal_Charge	0
9576412	Isotope_Atom_Count	0
8041	Defined_Atom_Stereo_Count	0
84878	Undefined_Bond_Stereo_Count	0
220401	TPSA	66
76292	Hydrogen_Bond_Acceptor_Count	2
89785	TPSA	97.6
13664903	Undefined_Atom_Stereo_Count	1
126843096	Total_Formal_Charge	0
148127	Undefined_Atom_Stereo_Count	0
9892481	Rotatable_Bond_Count	11
15273916	TPSA	21.6
5284623	Hydrogen_Bond_Acceptor_Count	14
135439051	Rotatable_Bond_Count	12
11550	Defined_Bond_Stereo_Count	0
53643899	Mono_Isotopic_Weight	158.05790880
11387409	Mono_Isotopic_Weight	514.9921034
242605	Total_Formal_Charge	0
277	Defined_Bond_Stereo_Count	0
6537099	TPSA	26.3
71449859	Covalent_Unit_Count	1
138231	Total_Formal_Charge	0
92444	Mono_Isotopic_Weight	335.860066
13611196	XLogP3-AA	2.1
67858481	XLogP3-AA	0
16683023	Rotatable_Bond_Count	4
6971047	Defined_Bond_Stereo_Count	0
133268468	Undefined_Bond_Stereo_Count	0
98488	Defined_Atom_Stereo_Count	0
94630	Non-hydrogen_Atom_Count	5
132157	Defined_Atom_Stereo_Count	0
118010650	Undefined_Atom_Stereo_Count	0
5506	Hydrogen_Bond_Acceptor_Count	2
511	Undefined_Atom_Stereo_Count	0
11565240	XLogP3-AA	1.2
78609	Molecular_Weight	434.5
7185	Covalent_Unit_Count	1
20080634	Structure_Complexity	88.5
4843	Defined_Bond_Stereo_Count	0
22022636	Rotatable_Bond_Count	0
101815863	Defined_Atom_Stereo_Count	0
3692	Undefined_Bond_Stereo_Count	0
2578	Defined_Bond_Stereo_Count	0
1335	Exact_Mass	133.07389321
71713951	TPSA	106
5659	Non-hydrogen_Atom_Count	22
13401731	Total_Formal_Charge	0
3799953	Defined_Atom_Stereo_Count	0
123963	Hydrogen_Bond_Acceptor_Count	3
119084740	Structure_Complexity	119
19868281	Structure_Complexity	103
9804302	Non-hydrogen_Atom_Count	30
7014	Undefined_Bond_Stereo_Count	0
15811016	Covalent_Unit_Count	3
41206	Non-hydrogen_Atom_Count	18
64427	Defined_Atom_Stereo_Count	0
90479783	Undefined_Atom_Stereo_Count	0
131204	TPSA	89.8
139568	TPSA	0
54144952	Undefined_Bond_Stereo_Count	0
137490	XLogP3-AA	2.7
2733797	Isotope_Atom_Count	0
3570	Mono_Isotopic_Weight	353.116426730
5408	Molecular_Weight	288.4
10456134	Mono_Isotopic_Weight	444.25118886
11581936	Defined_Atom_Stereo_Count	0
55298701	Non-hydrogen_Atom_Count	7
80528	Molecular_Weight	128.56
11418570	Tautomer_Count	1
112499971	Molecular_Weight	674.5
17110	Structure_Complexity	194
5353466	Total_Formal_Charge	0
3209	Hydrogen_Bond_Donor_Count	1
53914181	Exact_Mass	94.041864811
86761	Hydrogen_Bond_Donor_Count	1
97469	Structure_Complexity	159
5224206	Hydrogen_Bond_Donor_Count	0
85891258	Exact_Mass	113.120449483
6438149	Non-hydrogen_Atom_Count	26
7526	Undefined_Atom_Stereo_Count	0
127382	TPSA	92.7
176163	Undefined_Atom_Stereo_Count	1
26644345	Covalent_Unit_Count	1
220705	Isotope_Atom_Count	0
968472	Defined_Atom_Stereo_Count	0
10462	Undefined_Atom_Stereo_Count	0
12218833	Defined_Bond_Stereo_Count	0
7850	Tautomer_Count	1
20871316	Exact_Mass	112.088815002
13120	Rotatable_Bond_Count	4
530423	TPSA	17.1
65490	XLogP3	3.7
271553	Hydrogen_Bond_Donor_Count	1
46229348	Isotope_Atom_Count	0
968625	Total_Formal_Charge	0
13348970	TPSA	67.2
24756	Structure_Complexity	144
3246495	Total_Formal_Charge	0
54746	Rotatable_Bond_Count	8
132451761	Undefined_Bond_Stereo_Count	0
139341721	Total_Formal_Charge	0
93205	Hydrogen_Bond_Acceptor_Count	8
72187569	Structure_Complexity	557
148673	Structure_Complexity	601
6852393	Molecular_Weight	272.4
16126651	Defined_Bond_Stereo_Count	0
154058	Covalent_Unit_Count	2
58071	XLogP3-AA	2.7
45086592	TPSA	83.6
9886249	Mono_Isotopic_Weight	382.13536548
10632	Undefined_Bond_Stereo_Count	0
56680335	Undefined_Atom_Stereo_Count	0
13205839	Defined_Atom_Stereo_Count	0
12502857	TPSA	23.8
6604605	Undefined_Atom_Stereo_Count	0
10189783	Undefined_Bond_Stereo_Count	0
143888994	Covalent_Unit_Count	1
170472	TPSA	129
16748289	Molecular_Weight	318.3
8692	Undefined_Atom_Stereo_Count	1
21124389	Defined_Bond_Stereo_Count	0
4735	Non-hydrogen_Atom_Count	25
9048	Hydrogen_Bond_Donor_Count	3
12059921	Hydrogen_Bond_Acceptor_Count	1
16048558	Hydrogen_Bond_Acceptor_Count	3
16699	Mono_Isotopic_Weight	157.110278721
13017912	Mono_Isotopic_Weight	560.27338086
23697816	TPSA	88.3
6471	Isotope_Atom_Count	0
67465	Hydrogen_Bond_Donor_Count	1
58028426	Total_Formal_Charge	0
34452	Covalent_Unit_Count	1
13860942	TPSA	64.6
51030054	Hydrogen_Bond_Donor_Count	0
15559073	Molecular_Weight	278.4
32069	Tautomer_Count	1
87468828	Total_Formal_Charge	0
5283748	XLogP3-AA	5
4816	Tautomer_Count	1
72200848	Hydrogen_Bond_Acceptor_Count	7
9483	Defined_Atom_Stereo_Count	0
86453	Molecular_Weight	429.8
1477065	Undefined_Atom_Stereo_Count	0
6321392	Mono_Isotopic_Weight	324.10698424
92209	Hydrogen_Bond_Donor_Count	1
20372730	Molecular_Weight	116.16
59022	Hydrogen_Bond_Acceptor_Count	2
524954	Exact_Mass	106.078250319
5903	Defined_Bond_Stereo_Count	0
11960529	Hydrogen_Bond_Acceptor_Count	3
5354043	Total_Formal_Charge	0
14355861	Isotope_Atom_Count	0
54572303	Rotatable_Bond_Count	2
129744573	Undefined_Bond_Stereo_Count	0
7584	TPSA	20.2
20708	Isotope_Atom_Count	0
23182417	Structure_Complexity	119
89074	Molecular_Weight	377.06
8553	Rotatable_Bond_Count	0
7616	Molecular_Weight	143.27
18539784	Isotope_Atom_Count	0
137214744	Molecular_Weight	796.9
70694805	XLogP3-AA	0.6
52945794	Defined_Bond_Stereo_Count	0
129876172	Exact_Mass	341.12632271
11178236	Hydrogen_Bond_Donor_Count	0
21464101	TPSA	29.1
98675	Isotope_Atom_Count	0
94866	Structure_Complexity	311
8063	XLogP3-AA	1.1
9385	Isotope_Atom_Count	0
79045	Isotope_Atom_Count	0
48000	Structure_Complexity	936
73219	Total_Formal_Charge	0
65562	TPSA	259
146157455	Total_Formal_Charge	0
20549002	Hydrogen_Bond_Donor_Count	0
13807316	Exact_Mass	114.068079557
16911	Undefined_Bond_Stereo_Count	0
67513158	TPSA	26.3
513956	XLogP3-AA	4.7
681950	Structure_Complexity	285
11385	Mono_Isotopic_Weight	194.084398327
550206	TPSA	45.5
6918030	Defined_Bond_Stereo_Count	1
4759	Non-hydrogen_Atom_Count	25
55939	Undefined_Bond_Stereo_Count	0
89737	Total_Formal_Charge	0
57398255	Exact_Mass	479.16272547
24848343	Structure_Complexity	289
93005	Tautomer_Count	2
1864	Non-hydrogen_Atom_Count	18
6918584	Structure_Complexity	2790
24404	Undefined_Bond_Stereo_Count	0
4059	XLogP3	1.4
9926639	Mono_Isotopic_Weight	308.1291556
20202559	Isotope_Atom_Count	0
54557	Defined_Bond_Stereo_Count	0
14502695	Structure_Complexity	109
41432	XLogP3	0.1
18213	Rotatable_Bond_Count	2
8344	Exact_Mass	282.11033829
44224066	TPSA	180
119391	Isotope_Atom_Count	0
91185	Isotope_Atom_Count	0
8809	Hydrogen_Bond_Acceptor_Count	5
3050428	Covalent_Unit_Count	1
135443389	Structure_Complexity	142
12268623	Covalent_Unit_Count	1
12659781	Non-hydrogen_Atom_Count	6
64459	Non-hydrogen_Atom_Count	20
89229710	Mono_Isotopic_Weight	113.058911855
642781	Covalent_Unit_Count	1
19738571	Total_Formal_Charge	0
90877284	Covalent_Unit_Count	1
23238238	TPSA	168
4571243	Structure_Complexity	296
148192	Exact_Mass	704.38974802
121903	Isotope_Atom_Count	0
688311	Undefined_Bond_Stereo_Count	1
4915	Mono_Isotopic_Weight	221.152812238
13950368	Exact_Mass	98.036779430
126961192	Exact_Mass	678.07845408
12209630	Defined_Bond_Stereo_Count	0
10307850	Defined_Atom_Stereo_Count	0
455733	Exact_Mass	262.168127949
53869568	Hydrogen_Bond_Donor_Count	0
71509158	Molecular_Weight	717.6
13400	Undefined_Bond_Stereo_Count	0
444899	Exact_Mass	304.240230259
443732	Mono_Isotopic_Weight	71.073499291
9797657	XLogP3	3.5
66615678	Covalent_Unit_Count	1
2723822	Non-hydrogen_Atom_Count	7
575278	Exact_Mass	115.099714038
107526	TPSA	118
6419921	Rotatable_Bond_Count	3
11744644	Molecular_Weight	453.5
107744	Defined_Bond_Stereo_Count	0
54682458	Undefined_Bond_Stereo_Count	0
12754184	Mono_Isotopic_Weight	97.089149355
19031167	Exact_Mass	101.120449483
10987299	Isotope_Atom_Count	0
47649	Molecular_Weight	160.3
25023856	Non-hydrogen_Atom_Count	34
10058	Total_Formal_Charge	0
122214804	Mono_Isotopic_Weight	311.9868610
107502	Hydrogen_Bond_Donor_Count	3
53684795	Defined_Bond_Stereo_Count	0
5311309	Undefined_Bond_Stereo_Count	0
1639804	XLogP3-AA	2.5
124226575	Hydrogen_Bond_Donor_Count	7
14017587	Rotatable_Bond_Count	9
161561	Molecular_Weight	430.9
22288608	Exact_Mass	106.053098200
123664	Total_Formal_Charge	0
40926	Covalent_Unit_Count	1
7822	Rotatable_Bond_Count	4
22866	Hydrogen_Bond_Acceptor_Count	14
145454	Covalent_Unit_Count	1
13627693	XLogP3-AA	0.3
13245696	Structure_Complexity	103
44284481	Defined_Atom_Stereo_Count	23
2826	Tautomer_Count	1
5499	Defined_Atom_Stereo_Count	0
72114	TPSA	40.6
22386380	Hydrogen_Bond_Donor_Count	1
1142	Undefined_Atom_Stereo_Count	5
135942119	Undefined_Bond_Stereo_Count	0
44418576	Undefined_Atom_Stereo_Count	0
26470525	Molecular_Weight	342.30
24822135	Structure_Complexity	555
136951315	Covalent_Unit_Count	2
95566291	XLogP3-AA	5.1
23103	Molecular_Weight	191.23
53825954	Exact_Mass	446.26683893
49866022	Isotope_Atom_Count	0
43102	Mono_Isotopic_Weight	260.188863393
21414	Undefined_Bond_Stereo_Count	0
71457270	Covalent_Unit_Count	1
867	Hydrogen_Bond_Acceptor_Count	4
3031	Total_Formal_Charge	0
8680	Undefined_Bond_Stereo_Count	0
96457	TPSA	112
23279304	Defined_Bond_Stereo_Count	0
53998308	Structure_Complexity	86.1
96865	Hydrogen_Bond_Acceptor_Count	1
13609305	Defined_Atom_Stereo_Count	0
135398638	Molecular_Weight	136.11
433604	Structure_Complexity	142
90397060	Defined_Bond_Stereo_Count	1
1551097	Exact_Mass	273.00689880
10154203	Defined_Bond_Stereo_Count	0
12021642	Hydrogen_Bond_Donor_Count	1
57179768	Hydrogen_Bond_Donor_Count	1
15480	Undefined_Bond_Stereo_Count	0
160753	TPSA	43.4
25835	TPSA	0
10452732	Tautomer_Count	2
4789	Undefined_Bond_Stereo_Count	0
58024981	Exact_Mass	113.058911855
3246941	Structure_Complexity	354
10143016	Total_Formal_Charge	0
56972160	Total_Formal_Charge	0
841083	Defined_Atom_Stereo_Count	0
85728	Rotatable_Bond_Count	1
8052	Isotope_Atom_Count	0
15123308	Hydrogen_Bond_Donor_Count	1
3444	Defined_Bond_Stereo_Count	0
18698713	Total_Formal_Charge	0
60196305	Structure_Complexity	533
79437	Structure_Complexity	414
8477	Undefined_Atom_Stereo_Count	0
71300410	Undefined_Atom_Stereo_Count	0
5311093	Covalent_Unit_Count	1
12444324	Undefined_Atom_Stereo_Count	0
45791261	Covalent_Unit_Count	1
24865264	Non-hydrogen_Atom_Count	33
128919	Structure_Complexity	541
582408	TPSA	46.2
635186	Isotope_Atom_Count	0
26038	Exact_Mass	311.74429
62369	Undefined_Bond_Stereo_Count	0
56955180	TPSA	56.7
14949211	TPSA	12
10238746	Exact_Mass	435.28857743
25271810	Undefined_Atom_Stereo_Count	0
144946255	Exact_Mass	112.088815002
429734	Rotatable_Bond_Count	5
71463602	Structure_Complexity	1260
118704754	Non-hydrogen_Atom_Count	29
6437387	Mono_Isotopic_Weight	416.32904526
451189	Defined_Atom_Stereo_Count	0
91802613	Covalent_Unit_Count	1
24181146	Non-hydrogen_Atom_Count	22
52940827	Hydrogen_Bond_Acceptor_Count	5
403821	Undefined_Bond_Stereo_Count	0
20498	Rotatable_Bond_Count	5
99646539	Mono_Isotopic_Weight	284.16237386
24748573	Total_Formal_Charge	0
119047	Hydrogen_Bond_Donor_Count	0
551630	Undefined_Atom_Stereo_Count	1
39624	Molecular_Weight	353.8
5289382	Hydrogen_Bond_Donor_Count	7
11040	Mono_Isotopic_Weight	104.047344113
57452847	Undefined_Bond_Stereo_Count	0
16212687	Defined_Atom_Stereo_Count	2
566849	Exact_Mass	168.09727168
66133	Hydrogen_Bond_Donor_Count	0
83860	Undefined_Atom_Stereo_Count	6
11582651	XLogP3-AA	3.7
29356	Rotatable_Bond_Count	6
163771360	Rotatable_Bond_Count	2
70128954	Hydrogen_Bond_Acceptor_Count	1
67000	Defined_Atom_Stereo_Count	0
76949	Hydrogen_Bond_Acceptor_Count	3
72518	Undefined_Bond_Stereo_Count	0
62413	Tautomer_Count	1
77996	Hydrogen_Bond_Acceptor_Count	3
659840	Tautomer_Count	3
398687	Undefined_Bond_Stereo_Count	0
5357253	Non-hydrogen_Atom_Count	8
67113727	Structure_Complexity	277
10021783	Isotope_Atom_Count	0
154262592	Rotatable_Bond_Count	1
81981	Structure_Complexity	227
9589475	Defined_Bond_Stereo_Count	1
59018485	Undefined_Bond_Stereo_Count	0
71713793	Hydrogen_Bond_Acceptor_Count	4
164543616	Mono_Isotopic_Weight	113.047678466
54095609	Defined_Bond_Stereo_Count	0
285033	Defined_Atom_Stereo_Count	4
227112	Hydrogen_Bond_Donor_Count	2
5497195	XLogP3-AA	7.5
13404	Non-hydrogen_Atom_Count	10
131740853	Hydrogen_Bond_Donor_Count	3
53316418	Mono_Isotopic_Weight	384.99109039
2771917	Mono_Isotopic_Weight	98.084398327
57217341	Total_Formal_Charge	0
67462786	Undefined_Atom_Stereo_Count	0
3021	Exact_Mass	451.26421316
460516	Hydrogen_Bond_Acceptor_Count	7
5283748	Undefined_Atom_Stereo_Count	0
102201652	Non-hydrogen_Atom_Count	34
61574	XLogP3-AA	5.6
18428533	Undefined_Atom_Stereo_Count	0
6877	Exact_Mass	165.078978594
71268957	Hydrogen_Bond_Acceptor_Count	6
23219736	TPSA	49.7
94306	Molecular_Weight	154.16
131874127	Hydrogen_Bond_Acceptor_Count	4
10171288	Isotope_Atom_Count	0
3015773	Non-hydrogen_Atom_Count	7
1951	Undefined_Bond_Stereo_Count	0
15221251	Molecular_Weight	322.28
76335	Hydrogen_Bond_Donor_Count	0
70693550	Covalent_Unit_Count	1
140286824	Defined_Bond_Stereo_Count	0
11527635	Covalent_Unit_Count	1
24769	Defined_Atom_Stereo_Count	0
21493122	Hydrogen_Bond_Donor_Count	1
60196404	Hydrogen_Bond_Donor_Count	1
463694	Hydrogen_Bond_Acceptor_Count	4
57384040	Defined_Atom_Stereo_Count	0
12642	Isotope_Atom_Count	0
62143	Undefined_Atom_Stereo_Count	0
636908	Mono_Isotopic_Weight	338.06378202
21470	Molecular_Weight	696.8
163263	Undefined_Bond_Stereo_Count	0
135771852	Defined_Atom_Stereo_Count	4
5370664	Rotatable_Bond_Count	3
13561	Total_Formal_Charge	0
23688957	Rotatable_Bond_Count	1
21602045	Hydrogen_Bond_Donor_Count	2
115212	Non-hydrogen_Atom_Count	38
12669582	XLogP3-AA	0.7
73854	Rotatable_Bond_Count	13
2818985	Non-hydrogen_Atom_Count	26
92838	Defined_Bond_Stereo_Count	0
1379	TPSA	55.8
67938294	XLogP3-AA	0.3
866400	Hydrogen_Bond_Acceptor_Count	5
71307528	Non-hydrogen_Atom_Count	73
146018879	Non-hydrogen_Atom_Count	44
4141522	Molecular_Weight	169.20
2723755	Rotatable_Bond_Count	1
14029616	Molecular_Weight	168.28
4164	Mono_Isotopic_Weight	271.06669983
57398254	XLogP3-AA	3.1
77072	Total_Formal_Charge	1
1255	Total_Formal_Charge	0
314282	Rotatable_Bond_Count	1
68718	Undefined_Atom_Stereo_Count	0
11115983	Covalent_Unit_Count	1
54681041	TPSA	206
7795	Exact_Mass	158.130679813
3234	Defined_Atom_Stereo_Count	0
10937607	Rotatable_Bond_Count	0
158385	Mono_Isotopic_Weight	1148.43169
76335	Hydrogen_Bond_Acceptor_Count	1
927764	Mono_Isotopic_Weight	256.18992602
92851	Defined_Atom_Stereo_Count	1
4820	Covalent_Unit_Count	1
57458936	Hydrogen_Bond_Acceptor_Count	28
69777941	Undefined_Bond_Stereo_Count	0
52919	TPSA	46.6
158431	Undefined_Atom_Stereo_Count	0
78521	Tautomer_Count	7
29934831	Isotope_Atom_Count	0
9514	Covalent_Unit_Count	1
78968	Non-hydrogen_Atom_Count	6
77129	Defined_Atom_Stereo_Count	0
11545	Defined_Bond_Stereo_Count	0
12990	Total_Formal_Charge	0
1061	Tautomer_Count	1
20547	Rotatable_Bond_Count	2
68097	Hydrogen_Bond_Donor_Count	2
9868219	Rotatable_Bond_Count	12
42350	Rotatable_Bond_Count	3
82505	Defined_Atom_Stereo_Count	0
71783	Rotatable_Bond_Count	6
6534	Undefined_Bond_Stereo_Count	0
13397	TPSA	20.2
704245	Hydrogen_Bond_Acceptor_Count	4
413537	Defined_Bond_Stereo_Count	0
154552978	Undefined_Atom_Stereo_Count	0
75312	Molecular_Weight	259.43
97105	Defined_Bond_Stereo_Count	0
24945227	TPSA	81.1
57394706	Structure_Complexity	648
14818447	Rotatable_Bond_Count	0
24200857	Undefined_Atom_Stereo_Count	0
11701820	Undefined_Bond_Stereo_Count	0
119196	Exact_Mass	595.20536087
14962	Defined_Bond_Stereo_Count	0
73216	TPSA	93.4
40473182	Hydrogen_Bond_Acceptor_Count	5
24203	Mono_Isotopic_Weight	141.94078407
71571512	Non-hydrogen_Atom_Count	36
4424	Total_Formal_Charge	0
44631912	Molecular_Weight	434.5
8870	Defined_Bond_Stereo_Count	0
3973230	Hydrogen_Bond_Acceptor_Count	2
13235324	Isotope_Atom_Count	0
10709065	Hydrogen_Bond_Acceptor_Count	4
199229	Hydrogen_Bond_Acceptor_Count	2
80265	Total_Formal_Charge	0
9854489	Covalent_Unit_Count	1
156592279	Defined_Bond_Stereo_Count	1
21319	Hydrogen_Bond_Acceptor_Count	8
44571147	Hydrogen_Bond_Acceptor_Count	8
69763756	Defined_Atom_Stereo_Count	0
135977933	Covalent_Unit_Count	1
17751002	Isotope_Atom_Count	0
13908	Defined_Atom_Stereo_Count	0
98181817	Covalent_Unit_Count	1
91456	Structure_Complexity	207
10486	Total_Formal_Charge	0
5473310	Mono_Isotopic_Weight	286.04773803
74362	XLogP3-AA	0.7
139585898	Total_Formal_Charge	0
8477	TPSA	100
706992	Hydrogen_Bond_Donor_Count	0
10675	Total_Formal_Charge	0
75184787	Defined_Bond_Stereo_Count	0
16218979	Undefined_Bond_Stereo_Count	0
18442594	Hydrogen_Bond_Acceptor_Count	3
9894291	Total_Formal_Charge	0
644007	Exact_Mass	289.13140809
16058317	Non-hydrogen_Atom_Count	91
53689385	Hydrogen_Bond_Donor_Count	0
15443631	Defined_Bond_Stereo_Count	0
36688115	Molecular_Weight	325.5
59755737	Hydrogen_Bond_Donor_Count	0
19933114	Undefined_Atom_Stereo_Count	2
6436173	Covalent_Unit_Count	1
825522	TPSA	52.6
134688015	Hydrogen_Bond_Donor_Count	0
3034285	XLogP3-AA	3.7
129010089	Defined_Atom_Stereo_Count	15
122672156	Defined_Atom_Stereo_Count	0
6733	Isotope_Atom_Count	0
45270144	Total_Formal_Charge	0
9943908	Exact_Mass	255.1026065
20179	Defined_Bond_Stereo_Count	0
78422638	Isotope_Atom_Count	0
9549303	Defined_Bond_Stereo_Count	0
91857355	Mono_Isotopic_Weight	342.11621151
76688	TPSA	26
6386	TPSA	20.2
14966433	Undefined_Atom_Stereo_Count	0
102175	Hydrogen_Bond_Donor_Count	4
17754089	Structure_Complexity	148
3153	Isotope_Atom_Count	0
44338587	Covalent_Unit_Count	1
5282318	Hydrogen_Bond_Donor_Count	2
123357638	Hydrogen_Bond_Acceptor_Count	2
22132384	Undefined_Bond_Stereo_Count	0
24802149	Exact_Mass	180.06338810
46893453	Defined_Atom_Stereo_Count	0
119438	Total_Formal_Charge	4
5301	Covalent_Unit_Count	1
69833	Hydrogen_Bond_Acceptor_Count	1
59202444	Undefined_Atom_Stereo_Count	5
12562238	Rotatable_Bond_Count	2
545800	Exact_Mass	184.219100893
14988402	Undefined_Atom_Stereo_Count	0
166548151	Mono_Isotopic_Weight	107.073499291
2734898	Hydrogen_Bond_Acceptor_Count	3
57399438	Structure_Complexity	552
23666342	Tautomer_Count	1
17571562	Rotatable_Bond_Count	3
85784776	Molecular_Weight	182.14
87355672	Non-hydrogen_Atom_Count	8
14675	Defined_Atom_Stereo_Count	0
6004	Defined_Atom_Stereo_Count	0
47955	Total_Formal_Charge	0
123875320	Non-hydrogen_Atom_Count	8
23087774	Structure_Complexity	99.1
543880	Covalent_Unit_Count	1
53786	Total_Formal_Charge	0
71453749	Total_Formal_Charge	0
40460	Tautomer_Count	5
2734118	Hydrogen_Bond_Acceptor_Count	0
78491	Mono_Isotopic_Weight	193.99424
123779724	Mono_Isotopic_Weight	112.088815002
543069	Total_Formal_Charge	0
45488107	Covalent_Unit_Count	1
74888	Covalent_Unit_Count	1
58501	Exact_Mass	378.173213330
117957447	Mono_Isotopic_Weight	102.079312947
185792	Defined_Bond_Stereo_Count	0
91996	Total_Formal_Charge	0
5280343	Mono_Isotopic_Weight	302.04265265
86640	Non-hydrogen_Atom_Count	13
14644797	Defined_Bond_Stereo_Count	0
53702849	Total_Formal_Charge	0
12535	Non-hydrogen_Atom_Count	30
25184868	Molecular_Weight	154.25
68289914	XLogP3-AA	1.3
80076	Rotatable_Bond_Count	1
21158	Molecular_Weight	86.13
5282459	Hydrogen_Bond_Donor_Count	0
7282	TPSA	0
444742	Mono_Isotopic_Weight	1379.2204766
76537	Structure_Complexity	168
93131	Structure_Complexity	146
10307851	Mono_Isotopic_Weight	100.052429494
90643	Structure_Complexity	372
18477728	Mono_Isotopic_Weight	957.58135632
22234	Hydrogen_Bond_Donor_Count	2
12260467	Non-hydrogen_Atom_Count	8
62258	Isotope_Atom_Count	0
15689273	Undefined_Bond_Stereo_Count	0
533854	Undefined_Bond_Stereo_Count	0
11773	Non-hydrogen_Atom_Count	19
67736	Mono_Isotopic_Weight	945.85178
21863620	Undefined_Bond_Stereo_Count	0
46213929	Defined_Atom_Stereo_Count	0
27868	TPSA	26.3
46216142	Hydrogen_Bond_Acceptor_Count	8
67515	XLogP3-AA	1
24441	Defined_Atom_Stereo_Count	0
12618861	XLogP3-AA	0.3
36688490	Covalent_Unit_Count	1
279451	Defined_Bond_Stereo_Count	0
24973879	Exact_Mass	110.109550447
5756	Isotope_Atom_Count	0
11789150	Isotope_Atom_Count	0
37109	Hydrogen_Bond_Donor_Count	1
66082	Rotatable_Bond_Count	2
2795218	Hydrogen_Bond_Donor_Count	1
95902	Undefined_Atom_Stereo_Count	0
9583	Total_Formal_Charge	0
222073	TPSA	26.3
5651	Exact_Mass	1447.4301997
694648	XLogP3-AA	3.6
5463081	Rotatable_Bond_Count	0
9284	TPSA	34.6
176155	Molecular_Weight	377.4
20542	Total_Formal_Charge	0
99049	Defined_Atom_Stereo_Count	0
10438	Rotatable_Bond_Count	2
79956	Mono_Isotopic_Weight	401.05039832
84975	Defined_Atom_Stereo_Count	0
637858	Defined_Bond_Stereo_Count	1
107758	Hydrogen_Bond_Acceptor_Count	18
54224045	Structure_Complexity	40.7
9855795	Molecular_Weight	204.35
6891	Non-hydrogen_Atom_Count	13
67543	Undefined_Atom_Stereo_Count	0
71721420	Rotatable_Bond_Count	1
10130270	Non-hydrogen_Atom_Count	14
18413907	Mono_Isotopic_Weight	95.073499291
44031	Hydrogen_Bond_Donor_Count	1
13311902	Non-hydrogen_Atom_Count	7
14195	Hydrogen_Bond_Acceptor_Count	2
12320138	Hydrogen_Bond_Donor_Count	0
59177	Isotope_Atom_Count	0
172309	Molecular_Weight	304.31
62852	TPSA	99.4
6450800	Hydrogen_Bond_Donor_Count	1
17736	Hydrogen_Bond_Acceptor_Count	0
4469	Covalent_Unit_Count	9
9643	Molecular_Weight	232.94
2175	Rotatable_Bond_Count	9
5284614	Defined_Atom_Stereo_Count	0
75548	Isotope_Atom_Count	0
71312306	Defined_Bond_Stereo_Count	0
9818919	Exact_Mass	331.06920175
88077632	Structure_Complexity	185
6394935	Defined_Atom_Stereo_Count	0
2224	XLogP3-AA	7.6
10409	Hydrogen_Bond_Acceptor_Count	1
5282181	Structure_Complexity	643
16015	Structure_Complexity	724
16667730	Non-hydrogen_Atom_Count	58
20448997	Non-hydrogen_Atom_Count	7
87985	Rotatable_Bond_Count	3
24352	Total_Formal_Charge	0
135554980	Defined_Atom_Stereo_Count	0
11137094	Undefined_Atom_Stereo_Count	0
97043	Isotope_Atom_Count	0
24765417	Non-hydrogen_Atom_Count	19
7004913	Total_Formal_Charge	0
5311211	Undefined_Bond_Stereo_Count	0
8190	TPSA	47.9
695356	TPSA	51.5
153100734	Covalent_Unit_Count	1
2724123	Structure_Complexity	131
135763205	Rotatable_Bond_Count	3
177084	Hydrogen_Bond_Acceptor_Count	1
2795	Total_Formal_Charge	0
74431	Exact_Mass	269.177964357
25273237	Mono_Isotopic_Weight	389.20764703
76543883	Total_Formal_Charge	0
9867061	Non-hydrogen_Atom_Count	30
77050446	TPSA	32.6
441350	Undefined_Bond_Stereo_Count	0
84440	Total_Formal_Charge	0
398675	Molecular_Weight	461.6
798232	Total_Formal_Charge	0
135900090	TPSA	220
8912	Total_Formal_Charge	0
136351428	Defined_Atom_Stereo_Count	0
1761	Hydrogen_Bond_Acceptor_Count	8
446934	Defined_Atom_Stereo_Count	8
95187	Rotatable_Bond_Count	0
91250151	TPSA	17.1
6478	Molecular_Weight	272.8
2336	Undefined_Bond_Stereo_Count	0
1981	Exact_Mass	415.0822650
131839580	Mono_Isotopic_Weight	681.24869948
53346602	Rotatable_Bond_Count	2
171018	Total_Formal_Charge	0
4425	Hydrogen_Bond_Acceptor_Count	5
21884954	Isotope_Atom_Count	0
760	Non-hydrogen_Atom_Count	5
74864	Defined_Bond_Stereo_Count	0
94180	XLogP3-AA	2
42153	Isotope_Atom_Count	0
295763	Covalent_Unit_Count	1
59761113	Isotope_Atom_Count	0
68658	Molecular_Weight	313.22
67374621	Exact_Mass	398.17427596
70	Molecular_Weight	130.14
304	Total_Formal_Charge	0
118669896	Molecular_Weight	112.17
89229710	Isotope_Atom_Count	0
170944	Hydrogen_Bond_Donor_Count	1
71340855	Defined_Bond_Stereo_Count	0
232443	Structure_Complexity	355
22246713	Total_Formal_Charge	0
67108207	Non-hydrogen_Atom_Count	21
5736	Undefined_Bond_Stereo_Count	0
15291	Undefined_Bond_Stereo_Count	0
56949517	Undefined_Bond_Stereo_Count	0
3938668	Non-hydrogen_Atom_Count	21
12318317	Covalent_Unit_Count	1
108313	XLogP3-AA	3
15589	Rotatable_Bond_Count	2
19754593	Defined_Bond_Stereo_Count	0
5813717	Defined_Atom_Stereo_Count	0
35912	Isotope_Atom_Count	0
5311096	Tautomer_Count	2
456161	Covalent_Unit_Count	1
66070	Tautomer_Count	3
11572	Mono_Isotopic_Weight	96.093900383
6999977	Defined_Atom_Stereo_Count	1
135437285	Rotatable_Bond_Count	2
135659016	Hydrogen_Bond_Acceptor_Count	15
155008	Exact_Mass	556.13694696
96490	Covalent_Unit_Count	1
55840	Defined_Atom_Stereo_Count	0
5362792	Molecular_Weight	142.24
20486	Defined_Bond_Stereo_Count	0
77912	Defined_Atom_Stereo_Count	0
131567	Undefined_Bond_Stereo_Count	0
25201603	Undefined_Bond_Stereo_Count	0
5175	TPSA	54.6
85939688	Total_Formal_Charge	0
67782238	Isotope_Atom_Count	0
18170	Mono_Isotopic_Weight	149.02992040
154549233	Hydrogen_Bond_Donor_Count	0
56033	TPSA	117
3364	Defined_Bond_Stereo_Count	0
10254700	Mono_Isotopic_Weight	483.04035
11314197	Isotope_Atom_Count	0
3009	Exact_Mass	182.08668395
444614	Undefined_Atom_Stereo_Count	1
308140	Exact_Mass	374.07903816
9964065	Total_Formal_Charge	0
53276	Rotatable_Bond_Count	6
13012673	Molecular_Weight	71.08
130567	Rotatable_Bond_Count	8
444913	Total_Formal_Charge	0
139062656	Undefined_Bond_Stereo_Count	0
131714458	Hydrogen_Bond_Acceptor_Count	10
5536	Isotope_Atom_Count	0
8373	Total_Formal_Charge	0
60196404	Structure_Complexity	886
5709759	Tautomer_Count	1
67128499	Total_Formal_Charge	0
85573191	Hydrogen_Bond_Acceptor_Count	2
5284349	Defined_Bond_Stereo_Count	0
52918127	Hydrogen_Bond_Donor_Count	1
657690	Total_Formal_Charge	1
123831	Defined_Bond_Stereo_Count	0
61040	Exact_Mass	182.130679813
68604	TPSA	78.3
53846421	Non-hydrogen_Atom_Count	30
4025	Undefined_Bond_Stereo_Count	0
86278355	Rotatable_Bond_Count	31
24642	Exact_Mass	239.94328
14146220	Isotope_Atom_Count	0
274080	Hydrogen_Bond_Donor_Count	4
95005	Structure_Complexity	222
2164	TPSA	75.3
442021	Exact_Mass	394.18925731
121489349	Hydrogen_Bond_Acceptor_Count	31
15575	Undefined_Bond_Stereo_Count	0
36255	Undefined_Atom_Stereo_Count	0
11253	Non-hydrogen_Atom_Count	6
3032910	Structure_Complexity	469
38016	XLogP3	7.1
89053264	Rotatable_Bond_Count	1
6211	Defined_Bond_Stereo_Count	0
16665	Mono_Isotopic_Weight	128.156500638
140112497	Hydrogen_Bond_Donor_Count	1
11627212	Molecular_Weight	484.6
11305985	Rotatable_Bond_Count	14
140273	Molecular_Weight	113.16
17992338	Mono_Isotopic_Weight	100.063662883
147594753	Total_Formal_Charge	0
98648	Tautomer_Count	1
69260851	TPSA	53
118010510	Defined_Bond_Stereo_Count	0
14612499	Undefined_Atom_Stereo_Count	2
260127	Isotope_Atom_Count	0
451447	Exact_Mass	279.0734316
535535	Hydrogen_Bond_Acceptor_Count	1
118610865	Total_Formal_Charge	0
160508452	Defined_Bond_Stereo_Count	0
65013	Defined_Atom_Stereo_Count	0
118248246	Molecular_Weight	108.10
18462872	TPSA	49.3
52442	Exact_Mass	323.212338489
440959	Mono_Isotopic_Weight	161.06880783
135398640	Hydrogen_Bond_Donor_Count	5
12309460	Molecular_Weight	406.9
236666	Rotatable_Bond_Count	0
57174031	XLogP3	3.8
11828754	TPSA	324
7067359	Isotope_Atom_Count	0
19851629	Undefined_Atom_Stereo_Count	0
91819969	Mono_Isotopic_Weight	923.48784986
4026	Covalent_Unit_Count	1
6552009	Total_Formal_Charge	0
10474	Hydrogen_Bond_Donor_Count	0
70579	Exact_Mass	421.92576
91711338	Total_Formal_Charge	0
22678982	Structure_Complexity	365
21150622	Defined_Atom_Stereo_Count	0
10942665	Undefined_Atom_Stereo_Count	0
6427080	XLogP3-AA	2.6
10887985	Exact_Mass	138.140850574
41897	Exact_Mass	211.1127773
46897877	Hydrogen_Bond_Donor_Count	5
1637	Rotatable_Bond_Count	8
135480785	Hydrogen_Bond_Donor_Count	7
66815	Defined_Bond_Stereo_Count	0
9001	Total_Formal_Charge	0
32040	Covalent_Unit_Count	1
49757967	Structure_Complexity	67.4
6180	Undefined_Atom_Stereo_Count	1
6675	Molecular_Weight	515.7
60196414	Undefined_Bond_Stereo_Count	0
70278898	Exact_Mass	398.21180428
571982	Molecular_Weight	476.13
240373	Covalent_Unit_Count	1
657201	Molecular_Weight	362.3
15586	Hydrogen_Bond_Donor_Count	0
57384040	Defined_Bond_Stereo_Count	0
15560749	TPSA	60.2
168871	XLogP3-AA	2.7
327044	Total_Formal_Charge	0
11423559	Structure_Complexity	131
2724372	XLogP3	2.7
69162577	Hydrogen_Bond_Donor_Count	1
163090690	Rotatable_Bond_Count	11
946899	Undefined_Bond_Stereo_Count	0
49869173	Hydrogen_Bond_Donor_Count	1
3831985	Non-hydrogen_Atom_Count	31
413525	Mono_Isotopic_Weight	286.1236763
25142172	Total_Formal_Charge	0
118988145	Total_Formal_Charge	0
87149	Undefined_Bond_Stereo_Count	0
85539715	Undefined_Bond_Stereo_Count	0
54408458	Rotatable_Bond_Count	0
5282109	TPSA	26.3
23729769	Covalent_Unit_Count	1
23681382	Rotatable_Bond_Count	1
6796	Isotope_Atom_Count	0
37034	XLogP3	7.2
74353448	Mono_Isotopic_Weight	556.18755704
71762	Non-hydrogen_Atom_Count	73
366248	Hydrogen_Bond_Acceptor_Count	4
68193	Structure_Complexity	261
18353888	Mono_Isotopic_Weight	350.16891579
86956	Molecular_Weight	228.4
5281249	Undefined_Bond_Stereo_Count	0
74576	Hydrogen_Bond_Donor_Count	0
71961	Mono_Isotopic_Weight	493.16311939
2572	Mono_Isotopic_Weight	175.08445790
71433133	Defined_Bond_Stereo_Count	0
73216	Total_Formal_Charge	0
11317	TPSA	0
519449	Tautomer_Count	1
10942338	Non-hydrogen_Atom_Count	6
157209529	Total_Formal_Charge	0
66091	Tautomer_Count	2
66673773	Non-hydrogen_Atom_Count	8
108381	Hydrogen_Bond_Donor_Count	2
23483	Tautomer_Count	1
53869568	Mono_Isotopic_Weight	111.068413911
97383	Covalent_Unit_Count	1
57402653	Isotope_Atom_Count	0
67505	Undefined_Bond_Stereo_Count	0
10453870	Undefined_Bond_Stereo_Count	0
9917013	Structure_Complexity	1150
17162	Hydrogen_Bond_Donor_Count	0
18353957	Mono_Isotopic_Weight	111.068413911
271	Total_Formal_Charge	2
53317131	Undefined_Bond_Stereo_Count	0
87293	Undefined_Atom_Stereo_Count	0
104794	Undefined_Atom_Stereo_Count	0
20090050	Hydrogen_Bond_Donor_Count	1
77287	Tautomer_Count	1
46934352	Undefined_Bond_Stereo_Count	0
523251	Defined_Atom_Stereo_Count	0
20798615	Total_Formal_Charge	0
31573	Rotatable_Bond_Count	6
44576048	Isotope_Atom_Count	0
6442928	Mono_Isotopic_Weight	408.15326573
137553931	Covalent_Unit_Count	1
25167777	TPSA	115
44126086	Hydrogen_Bond_Acceptor_Count	5
221881	Isotope_Atom_Count	0
70691388	Mono_Isotopic_Weight	3946.9206749
122361610	Mono_Isotopic_Weight	430.23553880
9029	Defined_Bond_Stereo_Count	0
36688117	Undefined_Bond_Stereo_Count	0
3696	Tautomer_Count	9
4736	TPSA	23.5
2734	Hydrogen_Bond_Donor_Count	2
11768551	Covalent_Unit_Count	1
44324941	Undefined_Bond_Stereo_Count	0
71496458	Isotope_Atom_Count	0
89205570	Rotatable_Bond_Count	0
78383862	Defined_Atom_Stereo_Count	0
67122	TPSA	77.3
101883476	Mono_Isotopic_Weight	364.22497412
51397515	Exact_Mass	545.09131438
824336	Rotatable_Bond_Count	5
25010556	Covalent_Unit_Count	1
91021644	Structure_Complexity	149
131709170	TPSA	476
13898	Defined_Bond_Stereo_Count	0
260716	Covalent_Unit_Count	1
12263	Covalent_Unit_Count	1
701741	XLogP3-AA	1.8
19375004	Structure_Complexity	67.4
3032282	Rotatable_Bond_Count	40
71305059	Defined_Atom_Stereo_Count	2
5458769	XLogP3-AA	4
18487	Hydrogen_Bond_Acceptor_Count	1
15950520	XLogP3-AA	1.6
57800	Molecular_Weight	408.3
3355	Non-hydrogen_Atom_Count	28
46891563	Covalent_Unit_Count	1
86220885	TPSA	26
62414	Total_Formal_Charge	0
12329	Defined_Bond_Stereo_Count	0
5354043	XLogP3	5.7
21737	Isotope_Atom_Count	0
53672079	Covalent_Unit_Count	1
93538	Isotope_Atom_Count	0
41505	Defined_Bond_Stereo_Count	0
135860757	Molecular_Weight	389.9
12599704	Undefined_Bond_Stereo_Count	0
15940571	Hydrogen_Bond_Donor_Count	2
18432427	Structure_Complexity	286
8099	Exact_Mass	240.05936535
449435	Rotatable_Bond_Count	8
32803	XLogP3-AA	0.6
54525629	Undefined_Bond_Stereo_Count	0
11690378	Structure_Complexity	624
83805	TPSA	124
14146878	Isotope_Atom_Count	0
427860	Isotope_Atom_Count	0
91414	Rotatable_Bond_Count	2
77064	Mono_Isotopic_Weight	88.100048391
3854	Hydrogen_Bond_Donor_Count	3
161929	Total_Formal_Charge	0
53815669	Non-hydrogen_Atom_Count	7
7992	Tautomer_Count	1
71916	TPSA	78.8
24874	Covalent_Unit_Count	1
11228763	Hydrogen_Bond_Acceptor_Count	1
97865	TPSA	77
7672	Undefined_Bond_Stereo_Count	0
91408078	Mono_Isotopic_Weight	116.047344113
142798	Total_Formal_Charge	0
12271363	Rotatable_Bond_Count	1
176167	Undefined_Atom_Stereo_Count	0
451188	Non-hydrogen_Atom_Count	12
12287	Defined_Bond_Stereo_Count	0
10246505	XLogP3	3.7
2703	Tautomer_Count	1
11582651	Undefined_Atom_Stereo_Count	0
51086	Covalent_Unit_Count	1
4928	Mono_Isotopic_Weight	225.15896025
93563	Tautomer_Count	1
12487261	Hydrogen_Bond_Donor_Count	1
25223	Covalent_Unit_Count	1
69462	Hydrogen_Bond_Acceptor_Count	4
4489	Non-hydrogen_Atom_Count	51
11316914	Rotatable_Bond_Count	4
57257887	Total_Formal_Charge	0
89936880	Exact_Mass	527.23263824
124040753	Undefined_Atom_Stereo_Count	4
556684	Total_Formal_Charge	0
6010	Hydrogen_Bond_Donor_Count	1
16741878	Isotope_Atom_Count	0
6443013	Non-hydrogen_Atom_Count	21
8590	Total_Formal_Charge	0
73782	XLogP3	2.9
5289296	Total_Formal_Charge	0
11387605	Rotatable_Bond_Count	8
66587032	Total_Formal_Charge	0
4833	Exact_Mass	614.28930571
74411	Undefined_Atom_Stereo_Count	0
23638	Undefined_Bond_Stereo_Count	0
57391320	Covalent_Unit_Count	1
12309339	Hydrogen_Bond_Donor_Count	8
23661867	Hydrogen_Bond_Donor_Count	0
119574	TPSA	67.6
2781343	Isotope_Atom_Count	0
77554	Hydrogen_Bond_Acceptor_Count	2
12201381	Undefined_Atom_Stereo_Count	0
51711	Isotope_Atom_Count	0
3032282	Mono_Isotopic_Weight	734.56998054
10194504	Defined_Bond_Stereo_Count	0
131750179	Molecular_Weight	1109.3
667468	TPSA	12.5
50925625	Undefined_Bond_Stereo_Count	0
71317118	Exact_Mass	275.13688739
80654	Non-hydrogen_Atom_Count	10
46181941	Undefined_Atom_Stereo_Count	1
12209630	Hydrogen_Bond_Acceptor_Count	2
8670	Molecular_Weight	221.12
70685	Covalent_Unit_Count	1
70926	Hydrogen_Bond_Donor_Count	2
54169147	Non-hydrogen_Atom_Count	8
10928	Non-hydrogen_Atom_Count	6
55288974	Defined_Atom_Stereo_Count	0
556722	Exact_Mass	108.093900383
2742181	Isotope_Atom_Count	0
23685849	Rotatable_Bond_Count	7
45344	TPSA	22.9
6540640	Molecular_Weight	505.0
14976610	Mono_Isotopic_Weight	109.089149355
142123799	Exact_Mass	102.079312947
193581	Exact_Mass	108.05349212
188802	Non-hydrogen_Atom_Count	22
49836020	Exact_Mass	806.42908786
1991	Undefined_Bond_Stereo_Count	0
118388018	Molecular_Weight	114.06
2466	Total_Formal_Charge	0
2318546	Molecular_Weight	334.4
11569	Undefined_Bond_Stereo_Count	0
656673	Total_Formal_Charge	0
69975	Defined_Bond_Stereo_Count	0
96299	Defined_Bond_Stereo_Count	0
6070	Hydrogen_Bond_Acceptor_Count	3
7423	XLogP3	1.4
36920	Molecular_Weight	295.4
11949646	Tautomer_Count	1
68315	Defined_Atom_Stereo_Count	0
536431	Mono_Isotopic_Weight	116.083729621
14116454	Molecular_Weight	98.10
68981	XLogP3-AA	0.9
16221342	Isotope_Atom_Count	0
10219384	Molecular_Weight	96.979
21876618	Hydrogen_Bond_Acceptor_Count	2
11990755	Rotatable_Bond_Count	4
262282	Hydrogen_Bond_Donor_Count	1
3568	Exact_Mass	338.10016753
15979	Mono_Isotopic_Weight	268.313001276
11957517	Isotope_Atom_Count	0
17898580	Molecular_Weight	100.16
79497	Mono_Isotopic_Weight	176.120115130
134767951	Defined_Atom_Stereo_Count	3
643798	Hydrogen_Bond_Donor_Count	2
2825062	XLogP3-AA	3.5
10178705	Undefined_Atom_Stereo_Count	0
6437071	Covalent_Unit_Count	1
2723719	Non-hydrogen_Atom_Count	47
11829372	Total_Formal_Charge	0
221387	Tautomer_Count	2
954767	Molecular_Weight	279.3
13791373	Exact_Mass	111.068413911
5353607	Hydrogen_Bond_Acceptor_Count	6
6718	Tautomer_Count	1
67967	Total_Formal_Charge	0
10405144	Non-hydrogen_Atom_Count	18
73648	XLogP3-AA	3.2
521076	Covalent_Unit_Count	1
127909	Total_Formal_Charge	0
48973	Mono_Isotopic_Weight	275.188529040
91026652	Total_Formal_Charge	0
81472	XLogP3-AA	0.6
448812	Tautomer_Count	1000
82479	Defined_Bond_Stereo_Count	0
57829	XLogP3-AA	3.1
79476	Molecular_Weight	248.4
9824131	Undefined_Bond_Stereo_Count	0
24284832	Mono_Isotopic_Weight	115.063328530
8880	Undefined_Bond_Stereo_Count	0
129225	Mono_Isotopic_Weight	179.131014166
42642645	Mono_Isotopic_Weight	632.24464114
6160	Mono_Isotopic_Weight	289.18419255
5280608	XLogP3-AA	0.6
4436967	Non-hydrogen_Atom_Count	27
91820194	Structure_Complexity	283
18732	Structure_Complexity	79.6
54078821	Molecular_Weight	212.24
15278234	Defined_Bond_Stereo_Count	0
138107735	Defined_Bond_Stereo_Count	0
1976	Molecular_Weight	643.6
5283853	Structure_Complexity	637
44242317	Non-hydrogen_Atom_Count	42
129652927	Total_Formal_Charge	0
153683405	Covalent_Unit_Count	1
45026	Hydrogen_Bond_Donor_Count	3
141725394	Exact_Mass	103.063328530
129864969	Molecular_Weight	388.4
19793984	Defined_Bond_Stereo_Count	0
53480	Hydrogen_Bond_Acceptor_Count	1
40652	Covalent_Unit_Count	1
1364	XLogP3-AA	6.2
12358803	Rotatable_Bond_Count	10
13898	XLogP3-AA	2.7
11567707	Total_Formal_Charge	0
6527064	Covalent_Unit_Count	3
135439051	Structure_Complexity	215
85822	Mono_Isotopic_Weight	161.05104977
12634655	Structure_Complexity	109
76539	Molecular_Weight	403.6
12687005	Molecular_Weight	303.4
3035405	Undefined_Atom_Stereo_Count	3
202792	Hydrogen_Bond_Acceptor_Count	2
3167	Hydrogen_Bond_Donor_Count	1
6918295	Total_Formal_Charge	0
3033988	Hydrogen_Bond_Donor_Count	0
20470622	Structure_Complexity	145
16682983	Molecular_Weight	351.75
27982	Rotatable_Bond_Count	2
217409	XLogP3	2.3
57927	Defined_Bond_Stereo_Count	0
148118273	Isotope_Atom_Count	0
7017958	Isotope_Atom_Count	0
10032582	Non-hydrogen_Atom_Count	49
22082546	Rotatable_Bond_Count	2
62441	Hydrogen_Bond_Donor_Count	4
3424274	Non-hydrogen_Atom_Count	11
5460326	Mono_Isotopic_Weight	205.03569700
16547	Mono_Isotopic_Weight	210.05282342
11347535	Hydrogen_Bond_Donor_Count	2
64107	TPSA	118
24965990	Tautomer_Count	1
3946663	Defined_Atom_Stereo_Count	0
36415	Rotatable_Bond_Count	1
17318	TPSA	54
6331630	Total_Formal_Charge	0
95848	Rotatable_Bond_Count	7
5460797	Exact_Mass	118.050418117
23724817	Rotatable_Bond_Count	12
689	Non-hydrogen_Atom_Count	28
38911	Undefined_Atom_Stereo_Count	0
150728341	XLogP3-AA	1.3
601791	Hydrogen_Bond_Donor_Count	0
719704	Undefined_Atom_Stereo_Count	0
42174	Defined_Atom_Stereo_Count	0
19883311	Undefined_Atom_Stereo_Count	1
5311093	Rotatable_Bond_Count	18
98365	Exact_Mass	172.063662883
70144	Molecular_Weight	164.16
644213	Total_Formal_Charge	0
13792437	Undefined_Bond_Stereo_Count	0
19828862	Isotope_Atom_Count	0
19884492	Non-hydrogen_Atom_Count	7
15529	Covalent_Unit_Count	1
67535	Exact_Mass	189.078978594
14706	Structure_Complexity	432
10364560	Structure_Complexity	565
11377	Defined_Atom_Stereo_Count	0
104726	Defined_Atom_Stereo_Count	0
17882607	Hydrogen_Bond_Donor_Count	0
529197	Total_Formal_Charge	0
74041115	Covalent_Unit_Count	1
89683805	Molecular_Weight	473.4
191841	Hydrogen_Bond_Donor_Count	3
69807449	Mono_Isotopic_Weight	110.084398327
67247971	Molecular_Weight	406.4
84647707	Structure_Complexity	103
4822	Rotatable_Bond_Count	0
21703573	Undefined_Bond_Stereo_Count	0
31364	Non-hydrogen_Atom_Count	13
16129703	Molecular_Weight	6963
6992020	Hydrogen_Bond_Acceptor_Count	4
65256	Rotatable_Bond_Count	0
17846631	Structure_Complexity	240
11417	Undefined_Bond_Stereo_Count	0
17806	XLogP3-AA	3.5
213043	Undefined_Atom_Stereo_Count	1
88142236	Total_Formal_Charge	0
71600846	Isotope_Atom_Count	0
45157716	Hydrogen_Bond_Donor_Count	5
46470	Tautomer_Count	2
441037	Exact_Mass	267.09541650
27888	Undefined_Bond_Stereo_Count	0
23804	Total_Formal_Charge	0
9939298	Undefined_Atom_Stereo_Count	0
20060494	Non-hydrogen_Atom_Count	7
123608	Undefined_Bond_Stereo_Count	0
3081561	Exact_Mass	1679.5653479
122214397	Non-hydrogen_Atom_Count	33
154992	Tautomer_Count	1
11396	Non-hydrogen_Atom_Count	12
73415798	Hydrogen_Bond_Acceptor_Count	20
3731	Rotatable_Bond_Count	10
135565042	Non-hydrogen_Atom_Count	29
78808	Structure_Complexity	69.2
158782	Undefined_Atom_Stereo_Count	0
148673	Hydrogen_Bond_Acceptor_Count	6
12749	Tautomer_Count	2
5284537	Hydrogen_Bond_Acceptor_Count	3
54193461	Exact_Mass	85.052763847
7790	XLogP3-AA	2.4
7021156	Molecular_Weight	118.17
72959169	Undefined_Bond_Stereo_Count	1
38627	Defined_Atom_Stereo_Count	0
19743370	Molecular_Weight	116.16
551185	Molecular_Weight	100.16
444	Exact_Mass	239.1076919
19962876	Defined_Atom_Stereo_Count	0
254021	Mono_Isotopic_Weight	223.063328530
53912836	Exact_Mass	99.043261792
2734243	Rotatable_Bond_Count	7
23914	Isotope_Atom_Count	0
62705861	Undefined_Atom_Stereo_Count	0
9664	XLogP3-AA	1.5
237953	Undefined_Atom_Stereo_Count	0
54756	Mono_Isotopic_Weight	160.125200510
16722120	Isotope_Atom_Count	0
10419143	Total_Formal_Charge	0
167845	Defined_Bond_Stereo_Count	0
72038	XLogP3-AA	2.9
23704143	Tautomer_Count	4
5284585	Rotatable_Bond_Count	4
442504	Non-hydrogen_Atom_Count	11
10436952	Undefined_Atom_Stereo_Count	1
5280492	Molecular_Weight	336.5
11988953	Isotope_Atom_Count	0
16076883	Undefined_Bond_Stereo_Count	0
447587	TPSA	21.2
18183443	Undefined_Atom_Stereo_Count	1
259751	Hydrogen_Bond_Acceptor_Count	4
23603	Molecular_Weight	237.30
58863	Defined_Bond_Stereo_Count	0
74484	Molecular_Weight	260.99
549318	Hydrogen_Bond_Acceptor_Count	1
52148	TPSA	75.6
9570639	Molecular_Weight	388.6
70144	Mono_Isotopic_Weight	164.047344113
84221363	Isotope_Atom_Count	0
296197	Molecular_Weight	292.33
5288252	TPSA	111
20294925	XLogP3	0.3
56036	Hydrogen_Bond_Acceptor_Count	4
160692	Mono_Isotopic_Weight	251.094628657
12313776	Rotatable_Bond_Count	0
6713368	Hydrogen_Bond_Acceptor_Count	1
6434144	Covalent_Unit_Count	2
13158	Structure_Complexity	118
2882	Undefined_Atom_Stereo_Count	0
68602320	Total_Formal_Charge	0
1071	Undefined_Bond_Stereo_Count	4
76217	Undefined_Bond_Stereo_Count	0
53846420	Hydrogen_Bond_Acceptor_Count	3
94335	Undefined_Atom_Stereo_Count	1
14739174	Non-hydrogen_Atom_Count	8
25271812	Hydrogen_Bond_Acceptor_Count	2
7658	Hydrogen_Bond_Acceptor_Count	2
58230405	TPSA	151
8142	Tautomer_Count	1
56962313	Undefined_Atom_Stereo_Count	0
556685	Structure_Complexity	76.2
44563145	Mono_Isotopic_Weight	382.19173754
71474517	Structure_Complexity	1840
67126	Defined_Atom_Stereo_Count	0
197740	Structure_Complexity	284
94215	Structure_Complexity	46.9
1242	Structure_Complexity	291
24648	Defined_Atom_Stereo_Count	0
17460	Undefined_Bond_Stereo_Count	0
2228691	Hydrogen_Bond_Acceptor_Count	5
2423	Isotope_Atom_Count	0
9854073	Hydrogen_Bond_Donor_Count	3
3413668	Mono_Isotopic_Weight	270.161979940
5280644	Undefined_Bond_Stereo_Count	0
70545463	Molecular_Weight	95.14
21873177	Hydrogen_Bond_Acceptor_Count	15
15129466	Defined_Atom_Stereo_Count	0
11988953	Tautomer_Count	1
13961743	Defined_Atom_Stereo_Count	0
295258	XLogP3	3
24884197	Rotatable_Bond_Count	1
96160	Exact_Mass	69.057849228
22909	Covalent_Unit_Count	1
149798	XLogP3-AA	1.1
223407	Undefined_Atom_Stereo_Count	7
25945	Isotope_Atom_Count	0
132777208	Structure_Complexity	382
21343689	Covalent_Unit_Count	1
7083	Non-hydrogen_Atom_Count	20
3047786	Hydrogen_Bond_Donor_Count	0
63079	Total_Formal_Charge	0
20727	Structure_Complexity	63.5
47198	Tautomer_Count	3
73707	Exact_Mass	575.6805
68149181	Hydrogen_Bond_Donor_Count	1
9470	TPSA	45.2
44571102	Rotatable_Bond_Count	4
123385140	Hydrogen_Bond_Acceptor_Count	1
135505	Covalent_Unit_Count	1
69885	Defined_Atom_Stereo_Count	0
20746480	Molecular_Weight	108.10
443944	Defined_Bond_Stereo_Count	0
54111	Mono_Isotopic_Weight	289.0401358
57784	Defined_Bond_Stereo_Count	0
679777	Total_Formal_Charge	0
6918188	Undefined_Atom_Stereo_Count	0
5311201	Molecular_Weight	398.5
7454	Undefined_Bond_Stereo_Count	0
24884361	Mono_Isotopic_Weight	184.219100893
92024228	Non-hydrogen_Atom_Count	18
76469	Isotope_Atom_Count	0
6411	Tautomer_Count	1
446816	Defined_Atom_Stereo_Count	0
561	Hydrogen_Bond_Acceptor_Count	7
3452	Molecular_Weight	127.14
802074	XLogP3-AA	4.8
8528	Undefined_Atom_Stereo_Count	0
4351	Structure_Complexity	152
9803119	Undefined_Bond_Stereo_Count	0
3081276	Defined_Atom_Stereo_Count	7
24848341	Mono_Isotopic_Weight	285.14254485
413538	Defined_Bond_Stereo_Count	0
84715968	Mono_Isotopic_Weight	97.089149355
70124	Non-hydrogen_Atom_Count	10
167451	Rotatable_Bond_Count	5
825784	Covalent_Unit_Count	1
98094	Molecular_Weight	128.22
53317813	Rotatable_Bond_Count	6
439280	Rotatable_Bond_Count	3
130224411	Undefined_Bond_Stereo_Count	0
5284583	Covalent_Unit_Count	1
11094575	Defined_Atom_Stereo_Count	0
252163	Defined_Atom_Stereo_Count	0
3032396	Rotatable_Bond_Count	12
14298876	Hydrogen_Bond_Acceptor_Count	2
118087148	Undefined_Atom_Stereo_Count	2
44319	Undefined_Atom_Stereo_Count	0
57621	TPSA	49.2
77813014	Non-hydrogen_Atom_Count	8
123942782	Defined_Atom_Stereo_Count	0
51346964	Covalent_Unit_Count	1
15204529	XLogP3-AA	1.1
139085816	Covalent_Unit_Count	1
22320	Isotope_Atom_Count	0
594028	Undefined_Bond_Stereo_Count	0
1979	Defined_Atom_Stereo_Count	0
164330	Exact_Mass	1397.576390
23690449	Total_Formal_Charge	0
5284649	Covalent_Unit_Count	1
25758	Hydrogen_Bond_Donor_Count	1
21180574	Exact_Mass	108.043596145
57061367	Total_Formal_Charge	0
128847	Covalent_Unit_Count	1
53723365	Rotatable_Bond_Count	2
158726884	Rotatable_Bond_Count	0
717	Rotatable_Bond_Count	4
53298027	Undefined_Bond_Stereo_Count	0
20693488	XLogP3-AA	0.6
6849	Molecular_Weight	173.17
349890	Undefined_Atom_Stereo_Count	1
133108869	Structure_Complexity	133
11228026	Isotope_Atom_Count	0
20972	Defined_Atom_Stereo_Count	0
5284540	Hydrogen_Bond_Acceptor_Count	7
138404353	Covalent_Unit_Count	2
23441	TPSA	74.6
18029	Covalent_Unit_Count	1
134601	Undefined_Bond_Stereo_Count	0
54745	Hydrogen_Bond_Acceptor_Count	6
65923	Structure_Complexity	765
52598	Mono_Isotopic_Weight	372.15862589
163284980	Hydrogen_Bond_Donor_Count	11
23675341	Hydrogen_Bond_Donor_Count	2
12931852	Molecular_Weight	82.10
23163355	Isotope_Atom_Count	0
13267937	Non-hydrogen_Atom_Count	30
521486	Covalent_Unit_Count	1
10986305	Undefined_Bond_Stereo_Count	0
36966	Hydrogen_Bond_Donor_Count	2
12428017	Rotatable_Bond_Count	1
84253	Undefined_Atom_Stereo_Count	0
70355	Tautomer_Count	1
72502326	Covalent_Unit_Count	1
11224214	Molecular_Weight	431.5
80168	Tautomer_Count	1
63952	Tautomer_Count	6
143506727	Undefined_Atom_Stereo_Count	1
55910	Exact_Mass	306.07316
9664	TPSA	0
10096946	Mono_Isotopic_Weight	486.1128541
70697365	Defined_Atom_Stereo_Count	0
57468	Exact_Mass	348.2099045
12811926	Covalent_Unit_Count	1
143723227	Defined_Bond_Stereo_Count	0
70912	XLogP3	0.5
9794197	Rotatable_Bond_Count	3
9984487	Hydrogen_Bond_Acceptor_Count	8
13245088	Non-hydrogen_Atom_Count	8
12997	Tautomer_Count	1
5281522	Tautomer_Count	1
24849132	Defined_Bond_Stereo_Count	0
81927	Rotatable_Bond_Count	9
86623588	Covalent_Unit_Count	2
44359653	Hydrogen_Bond_Acceptor_Count	18
8090	TPSA	26.3
10336591	Molecular_Weight	100.16
52361	Defined_Bond_Stereo_Count	0
10351092	Undefined_Bond_Stereo_Count	0
55286155	Undefined_Atom_Stereo_Count	0
16662	Undefined_Bond_Stereo_Count	0
133886	Defined_Bond_Stereo_Count	0
11597	Defined_Bond_Stereo_Count	0
43102	Undefined_Atom_Stereo_Count	0
2555	Structure_Complexity	358
1013432	TPSA	109
26129	Undefined_Atom_Stereo_Count	0
25023855	Undefined_Bond_Stereo_Count	0
73946427	Isotope_Atom_Count	0
108	Defined_Atom_Stereo_Count	0
70684314	Defined_Atom_Stereo_Count	0
3033017	Exact_Mass	242.10889899
3638	Isotope_Atom_Count	0
188966	Defined_Bond_Stereo_Count	0
12850184	Molecular_Weight	426.34
133886	Tautomer_Count	7
122706529	Covalent_Unit_Count	1
82343	Rotatable_Bond_Count	6
1341	Rotatable_Bond_Count	3
24748573	Molecular_Weight	349.8
540987	Rotatable_Bond_Count	12
71849	Covalent_Unit_Count	3
85812	Hydrogen_Bond_Donor_Count	0
44404640	Molecular_Weight	651.9
96701	Covalent_Unit_Count	1
141543352	Defined_Atom_Stereo_Count	0
140695	Defined_Atom_Stereo_Count	0
16654980	Covalent_Unit_Count	1
183729	Hydrogen_Bond_Donor_Count	0
42790	Exact_Mass	630.14908
129873282	Defined_Bond_Stereo_Count	0
9332	Exact_Mass	219.07727831
586	Exact_Mass	131.069476538
5310966	Covalent_Unit_Count	1
54255838	Total_Formal_Charge	0
644019	Molecular_Weight	314.5
10282517	Exact_Mass	615.18616351
54758308	Mono_Isotopic_Weight	471.26342531
91753565	Hydrogen_Bond_Acceptor_Count	0
8054	Hydrogen_Bond_Acceptor_Count	3
135398748	Hydrogen_Bond_Acceptor_Count	5
15456	Molecular_Weight	275.28
9902	Non-hydrogen_Atom_Count	24
61749380	Rotatable_Bond_Count	2
6323491	Hydrogen_Bond_Acceptor_Count	6
39628	Tautomer_Count	1
18321713	Isotope_Atom_Count	0
10158453	Undefined_Bond_Stereo_Count	0
156008	Non-hydrogen_Atom_Count	9
2764068	Rotatable_Bond_Count	4
9402	Undefined_Atom_Stereo_Count	7
252198	Defined_Bond_Stereo_Count	0
8063338	Tautomer_Count	1
71416538	Defined_Bond_Stereo_Count	0
76956224	Non-hydrogen_Atom_Count	31
67125854	Molecular_Weight	115.13
623849	Exact_Mass	290.130679813
72568	TPSA	37.4
139852	Rotatable_Bond_Count	2
91378988	TPSA	44.7
429551	Hydrogen_Bond_Acceptor_Count	2
101744	XLogP3	2.7
163468867	Rotatable_Bond_Count	1
6440459	Mono_Isotopic_Weight	794.36980042
54011	Defined_Bond_Stereo_Count	0
73820465	Undefined_Atom_Stereo_Count	7
11565240	Structure_Complexity	457
19956670	Undefined_Atom_Stereo_Count	1
533884	Mono_Isotopic_Weight	99.104799419
134692450	TPSA	162
3751373	XLogP3-AA	0.1
12553931	TPSA	26.3
7875	Total_Formal_Charge	0
80695	Non-hydrogen_Atom_Count	31
18938	Total_Formal_Charge	0
11345	Defined_Bond_Stereo_Count	0
3856780	Hydrogen_Bond_Acceptor_Count	6
96563	Defined_Bond_Stereo_Count	0
564864	Mono_Isotopic_Weight	236.9944134
53326688	XLogP3-AA	5.3
8670	Defined_Bond_Stereo_Count	0
13276908	Hydrogen_Bond_Donor_Count	1
4498243	Undefined_Bond_Stereo_Count	0
21304401	Total_Formal_Charge	0
66509091	Hydrogen_Bond_Donor_Count	5
12472	Covalent_Unit_Count	1
359231	Structure_Complexity	96.6
135418174	XLogP3-AA	1.4
45051637	Rotatable_Bond_Count	0
79998	Total_Formal_Charge	0
3266	Total_Formal_Charge	0
21621538	Rotatable_Bond_Count	2
2734168	Undefined_Bond_Stereo_Count	0
54548956	Defined_Bond_Stereo_Count	0
86811257	Structure_Complexity	110
101307877	Undefined_Bond_Stereo_Count	0
15969	Molecular_Weight	220.05
25008765	Total_Formal_Charge	0
12695793	TPSA	3
13543311	Isotope_Atom_Count	0
9256	Hydrogen_Bond_Donor_Count	0
11372270	Molecular_Weight	375.3
10953427	Mono_Isotopic_Weight	91.042199164
56776542	Molecular_Weight	250.02
92043261	Structure_Complexity	117
24818	Mono_Isotopic_Weight	267.75064
66603	Defined_Atom_Stereo_Count	0
7449	TPSA	62.9
19994812	Hydrogen_Bond_Acceptor_Count	3
21263577	Total_Formal_Charge	0
91185	Defined_Atom_Stereo_Count	0
29393	Hydrogen_Bond_Acceptor_Count	8
53652433	Mono_Isotopic_Weight	112.052429494
97391	Molecular_Weight	142.20
64862	Defined_Bond_Stereo_Count	0
625277	Defined_Bond_Stereo_Count	0
690730	Mono_Isotopic_Weight	178.03131738
403802	XLogP3-AA	3.9
24742076	Defined_Bond_Stereo_Count	0
10145345	Covalent_Unit_Count	1
91322204	Mono_Isotopic_Weight	112.088815002
14238	Defined_Bond_Stereo_Count	0
117791079	Defined_Atom_Stereo_Count	0
55284122	Hydrogen_Bond_Acceptor_Count	2
44123754	Exact_Mass	468.11987140
117120	Isotope_Atom_Count	0
11073219	XLogP3-AA	26.4
57548589	Hydrogen_Bond_Acceptor_Count	0
76674	Undefined_Bond_Stereo_Count	0
15475335	TPSA	48.9
79123	Undefined_Atom_Stereo_Count	1
8691	Molecular_Weight	249.70
15526206	Undefined_Atom_Stereo_Count	0
55414	Structure_Complexity	317
27872	Non-hydrogen_Atom_Count	31
594832	Rotatable_Bond_Count	1
56668820	Undefined_Atom_Stereo_Count	1
5305	Non-hydrogen_Atom_Count	29
132519	Exact_Mass	388.21105539
11240438	Defined_Atom_Stereo_Count	0
46964	Defined_Bond_Stereo_Count	0
12514401	Covalent_Unit_Count	1
72699435	Total_Formal_Charge	0
3344	Molecular_Weight	260.33
58079819	Hydrogen_Bond_Donor_Count	1
7192	XLogP3	2.8
57441994	Undefined_Atom_Stereo_Count	0
47824	Hydrogen_Bond_Acceptor_Count	4
87481019	Total_Formal_Charge	0
21946307	Non-hydrogen_Atom_Count	7
447480	Rotatable_Bond_Count	4
46202081	Defined_Bond_Stereo_Count	0
448925	Rotatable_Bond_Count	4
21058179	Defined_Bond_Stereo_Count	0
34755	Isotope_Atom_Count	0
6374	Non-hydrogen_Atom_Count	4
121763185	Undefined_Atom_Stereo_Count	3
3739682	Undefined_Atom_Stereo_Count	0
23665759	Non-hydrogen_Atom_Count	6
15590756	Defined_Atom_Stereo_Count	0
71258	Hydrogen_Bond_Acceptor_Count	6
637991	Undefined_Bond_Stereo_Count	0
712373	Defined_Atom_Stereo_Count	0
129652893	Defined_Atom_Stereo_Count	0
95209	Exact_Mass	181.05613515
3889	Hydrogen_Bond_Donor_Count	4
5462212	Exact_Mass	919.23532538
121410806	Non-hydrogen_Atom_Count	37
57583195	Defined_Atom_Stereo_Count	0
5478936	Non-hydrogen_Atom_Count	39
10964421	XLogP3	1.6
3045335	Undefined_Atom_Stereo_Count	0
77314383	TPSA	9.2
71586635	Covalent_Unit_Count	1
137895	Covalent_Unit_Count	1
123888456	Molecular_Weight	109.17
14789	Structure_Complexity	27.9
12271349	Undefined_Atom_Stereo_Count	2
151011	Covalent_Unit_Count	1
49007	Undefined_Bond_Stereo_Count	0
135749824	Undefined_Atom_Stereo_Count	0
154515422	Non-hydrogen_Atom_Count	8
67556876	Hydrogen_Bond_Acceptor_Count	3
12097423	Non-hydrogen_Atom_Count	8
107676	Undefined_Atom_Stereo_Count	0
59827440	Structure_Complexity	403
47294	Defined_Atom_Stereo_Count	0
20056828	Hydrogen_Bond_Acceptor_Count	18
3386966	Defined_Bond_Stereo_Count	0
22086042	XLogP3-AA	1.5
97234	TPSA	74.5
89187987	Defined_Atom_Stereo_Count	0
154479899	Undefined_Atom_Stereo_Count	3
7915	Tautomer_Count	1
44454985	XLogP3-AA	2.2
16318	Molecular_Weight	498.6
1808	Defined_Bond_Stereo_Count	0
21031	Covalent_Unit_Count	1
168076	Isotope_Atom_Count	0
10772948	Hydrogen_Bond_Donor_Count	0
23682789	Exact_Mass	452.09440780
40500	Molecular_Weight	395.3
10258195	Exact_Mass	611.25260310
62816	Defined_Bond_Stereo_Count	0
146159872	Hydrogen_Bond_Acceptor_Count	17
9903930	XLogP3-AA	2.1
71905	Isotope_Atom_Count	0
10200813	Total_Formal_Charge	0
16213460	Defined_Bond_Stereo_Count	0
100308	Defined_Atom_Stereo_Count	2
9830317	Exact_Mass	608.0995698
4158	Molecular_Weight	233.31
3853312	Defined_Atom_Stereo_Count	0
5282426	Covalent_Unit_Count	1
15532	Structure_Complexity	256
124905	Total_Formal_Charge	0
3081362	Tautomer_Count	970
2307	Hydrogen_Bond_Acceptor_Count	7
170254	Defined_Bond_Stereo_Count	0
54544621	Rotatable_Bond_Count	2
161810	Total_Formal_Charge	0
6323336	Undefined_Atom_Stereo_Count	0
65938	TPSA	229
71398	Covalent_Unit_Count	1
154392753	Undefined_Atom_Stereo_Count	0
54678431	Undefined_Bond_Stereo_Count	0
59594973	Total_Formal_Charge	0
3086173	Rotatable_Bond_Count	6
134694392	Undefined_Atom_Stereo_Count	2
69370	Hydrogen_Bond_Acceptor_Count	2
165609608	Rotatable_Bond_Count	2
77051	Exact_Mass	190.062994177
1017	Covalent_Unit_Count	1
90921336	Undefined_Atom_Stereo_Count	1
969472	Undefined_Atom_Stereo_Count	0
119097350	Hydrogen_Bond_Donor_Count	0
57121306	Defined_Bond_Stereo_Count	0
74195	Undefined_Atom_Stereo_Count	0
36688117	Rotatable_Bond_Count	5
2040	Undefined_Atom_Stereo_Count	0
29637	Non-hydrogen_Atom_Count	13
41779	Undefined_Bond_Stereo_Count	0
9889200	Mono_Isotopic_Weight	395.09397721
16854	Structure_Complexity	177
107969	Hydrogen_Bond_Acceptor_Count	3
520190	Exact_Mass	290.260965704
130509102	TPSA	56
11544171	Covalent_Unit_Count	1
197883	Undefined_Atom_Stereo_Count	0
4693	Undefined_Atom_Stereo_Count	9
46909057	Structure_Complexity	557
13973648	Non-hydrogen_Atom_Count	10
97341	TPSA	12.5
1150344	Covalent_Unit_Count	1
94396	Undefined_Bond_Stereo_Count	1
145720674	Hydrogen_Bond_Acceptor_Count	20
16218740	Covalent_Unit_Count	1
162651	Non-hydrogen_Atom_Count	3
57473238	Mono_Isotopic_Weight	97.027611728
94011387	Mono_Isotopic_Weight	342.11621151
135594347	Rotatable_Bond_Count	5
122874	Structure_Complexity	152
12480891	TPSA	3.2
23681045	Tautomer_Count	1
57054055	Isotope_Atom_Count	0
5152771	Covalent_Unit_Count	1
78255	Total_Formal_Charge	0
46936966	Hydrogen_Bond_Donor_Count	8
14619651	Hydrogen_Bond_Acceptor_Count	4
16122643	Defined_Atom_Stereo_Count	0
12730529	Non-hydrogen_Atom_Count	11
1291	Undefined_Atom_Stereo_Count	1
5702068	Undefined_Atom_Stereo_Count	3
454	XLogP3-AA	2.7
11197	Non-hydrogen_Atom_Count	26
3462	Defined_Atom_Stereo_Count	0
146013258	Covalent_Unit_Count	1
15511	Mono_Isotopic_Weight	104.06597156
135554980	Molecular_Weight	87.04
637996	Hydrogen_Bond_Donor_Count	0
4259	Undefined_Atom_Stereo_Count	2
3889	Mono_Isotopic_Weight	520.10124741
814152	TPSA	88.6
69980	Isotope_Atom_Count	0
23723057	Hydrogen_Bond_Acceptor_Count	5
698364	Undefined_Atom_Stereo_Count	0
27284	Structure_Complexity	0
4171	Exact_Mass	267.18344366
91528	TPSA	80.9
443586	Mono_Isotopic_Weight	183.05315777
54173839	XLogP3-AA	2.1
13163973	Structure_Complexity	88.5
8519	Tautomer_Count	1
107994	Undefined_Atom_Stereo_Count	0
64927	Total_Formal_Charge	0
613570	TPSA	12.9
45199	Hydrogen_Bond_Acceptor_Count	5
13945	Rotatable_Bond_Count	4
148202	Undefined_Atom_Stereo_Count	0
71439018	Covalent_Unit_Count	4
68770	Hydrogen_Bond_Acceptor_Count	4
54366638	Hydrogen_Bond_Donor_Count	0
9799979	Exact_Mass	379.22597718
11349000	Molecular_Weight	362.4
12381421	Hydrogen_Bond_Donor_Count	0
547110	Isotope_Atom_Count	0
16272	Defined_Atom_Stereo_Count	0
4615	Molecular_Weight	426.6
6435893	Hydrogen_Bond_Donor_Count	5
1123	Total_Formal_Charge	0
12263	Exact_Mass	101.047678466
22833547	Covalent_Unit_Count	1
6405709	TPSA	77.8
16052038	Defined_Atom_Stereo_Count	9
12278548	Defined_Bond_Stereo_Count	0
68604	XLogP3-AA	2.8
54691418	Non-hydrogen_Atom_Count	15
178096	Hydrogen_Bond_Donor_Count	2
62354	Exact_Mass	620.28327683
54477013	Mono_Isotopic_Weight	704.53560641
67518639	Defined_Bond_Stereo_Count	0
2762895	Non-hydrogen_Atom_Count	8
5748217	Non-hydrogen_Atom_Count	33
9170	Molecular_Weight	228.3
90976358	Isotope_Atom_Count	0
55300028	Hydrogen_Bond_Acceptor_Count	1
139088049	Mono_Isotopic_Weight	683.203529
17174	Non-hydrogen_Atom_Count	8
53762327	Defined_Bond_Stereo_Count	0
6851740	Non-hydrogen_Atom_Count	37
154518019	Exact_Mass	82.053098200
137090	XLogP3-AA	1.6
9831783	Covalent_Unit_Count	3
656837	Non-hydrogen_Atom_Count	36
534918	Molecular_Weight	110.20
16821	Mono_Isotopic_Weight	198.161979940
6971096	Undefined_Bond_Stereo_Count	0
132584645	Hydrogen_Bond_Donor_Count	0
139584807	Defined_Bond_Stereo_Count	1
124143	Isotope_Atom_Count	0
54582078	Mono_Isotopic_Weight	359.13150553
5280934	Covalent_Unit_Count	1
54576693	Rotatable_Bond_Count	3
24944555	Hydrogen_Bond_Donor_Count	0
53466061	Structure_Complexity	650
44429	Defined_Bond_Stereo_Count	0
12412245	Hydrogen_Bond_Donor_Count	1
13438404	Rotatable_Bond_Count	1
45120354	Molecular_Weight	114.14
76902	Rotatable_Bond_Count	6
16740	Hydrogen_Bond_Acceptor_Count	4
20387203	Rotatable_Bond_Count	4
45120480	Molecular_Weight	110.15
70412	Isotope_Atom_Count	0
292661	Hydrogen_Bond_Donor_Count	3
13710569	Molecular_Weight	80.13
721436	Defined_Atom_Stereo_Count	1
402035	Hydrogen_Bond_Donor_Count	0
64644	TPSA	121
22203	Non-hydrogen_Atom_Count	24
7756	XLogP3-AA	1.5
2811264	Exact_Mass	337.15904043
59886072	TPSA	110
398559	Hydrogen_Bond_Acceptor_Count	7
14601092	Undefined_Bond_Stereo_Count	0
13810472	Hydrogen_Bond_Acceptor_Count	1
91270	Hydrogen_Bond_Acceptor_Count	8
13727	Total_Formal_Charge	0
445561	Structure_Complexity	1140
10866282	Defined_Bond_Stereo_Count	0
87402170	Isotope_Atom_Count	0
75989941	Undefined_Atom_Stereo_Count	2
49867938	Isotope_Atom_Count	0
47703	Molecular_Weight	284.4
23691042	Tautomer_Count	1
14325613	Defined_Atom_Stereo_Count	0
443403	Structure_Complexity	467
71333302	Mono_Isotopic_Weight	114.031694049
6374	Undefined_Bond_Stereo_Count	0
71152	Tautomer_Count	4
5083	Undefined_Atom_Stereo_Count	0
9799518	Structure_Complexity	554
3983	Undefined_Bond_Stereo_Count	0
17541	TPSA	29.5
134826704	Exact_Mass	1142.51450758
824784	XLogP3-AA	4.5
32065	Defined_Atom_Stereo_Count	0
86252	Hydrogen_Bond_Donor_Count	1
60196302	Isotope_Atom_Count	0
79876409	TPSA	26
23545554	Isotope_Atom_Count	0
65819	XLogP3-AA	1.3
8130	Hydrogen_Bond_Donor_Count	0
48068	Non-hydrogen_Atom_Count	38
122235961	Structure_Complexity	65.1
92231	Exact_Mass	220.182715385
82938	Hydrogen_Bond_Donor_Count	0
20561716	TPSA	47.8
24180686	Rotatable_Bond_Count	17
6271	Undefined_Bond_Stereo_Count	0
19032309	Undefined_Atom_Stereo_Count	1
43984	Non-hydrogen_Atom_Count	27
12025	Mono_Isotopic_Weight	85.052763847
46936572	Undefined_Atom_Stereo_Count	0
52914006	Hydrogen_Bond_Donor_Count	2
6700	Isotope_Atom_Count	0
465585	Molecular_Weight	582.7
77191	Covalent_Unit_Count	1
101254312	Defined_Atom_Stereo_Count	5
67569543	Undefined_Atom_Stereo_Count	0
118248246	Covalent_Unit_Count	1
636374	Rotatable_Bond_Count	8
72732	Exact_Mass	242.094294304
11385	Total_Formal_Charge	0
3385	Molecular_Weight	130.08
12488	Isotope_Atom_Count	0
52421	Rotatable_Bond_Count	9
96356	Defined_Atom_Stereo_Count	0
66537	Structure_Complexity	205
588963	Non-hydrogen_Atom_Count	20
10953450	TPSA	30.2
13863632	Hydrogen_Bond_Acceptor_Count	1
136237316	Hydrogen_Bond_Acceptor_Count	7
25261	Rotatable_Bond_Count	7
136115428	Rotatable_Bond_Count	1
130144828	Undefined_Bond_Stereo_Count	0
9920369	Isotope_Atom_Count	0
86435	Undefined_Bond_Stereo_Count	0
472335	Non-hydrogen_Atom_Count	29
70119	Undefined_Bond_Stereo_Count	0
71306828	Non-hydrogen_Atom_Count	40
114880	Exact_Mass	510.30401228
73292	Tautomer_Count	3
10800	TPSA	112
8259	Mono_Isotopic_Weight	147.924948
5189	Undefined_Atom_Stereo_Count	0
99915	Exact_Mass	210.115698455
25024304	Structure_Complexity	690
3017320	XLogP3-AA	2.2
139158	Rotatable_Bond_Count	0
9881360	Isotope_Atom_Count	0
135449284	Isotope_Atom_Count	0
30914	Non-hydrogen_Atom_Count	9
6918589	Covalent_Unit_Count	1
23279533	Defined_Bond_Stereo_Count	0
91696	Defined_Bond_Stereo_Count	0
82161	Non-hydrogen_Atom_Count	18
202225	Defined_Bond_Stereo_Count	0
9548637	Structure_Complexity	496
16227342	Structure_Complexity	116
53670643	Defined_Atom_Stereo_Count	0
37175	Defined_Atom_Stereo_Count	0
80511	Structure_Complexity	21.5
2194	Tautomer_Count	1
146159626	Rotatable_Bond_Count	5
9549284	Defined_Bond_Stereo_Count	1
8398	Non-hydrogen_Atom_Count	25
2828708	TPSA	29.1
22175060	Mono_Isotopic_Weight	117.078978594
1551246	Isotope_Atom_Count	0
15071968	Exact_Mass	100.052429494
498142	Covalent_Unit_Count	4
79723	Hydrogen_Bond_Acceptor_Count	8
18962468	Undefined_Bond_Stereo_Count	0
10095659	Structure_Complexity	575
3440	Mono_Isotopic_Weight	330.0077203
134826477	Rotatable_Bond_Count	19
28620	TPSA	282
15940949	Hydrogen_Bond_Donor_Count	4
26690	Exact_Mass	199.193614421
11544171	Hydrogen_Bond_Donor_Count	2
9805776	Exact_Mass	494.16239112
1396	Mono_Isotopic_Weight	444.97074
224004	Defined_Atom_Stereo_Count	8
11159325	Hydrogen_Bond_Acceptor_Count	3
12175949	Non-hydrogen_Atom_Count	29
394428	Isotope_Atom_Count	0
11116690	Exact_Mass	182.05831813
556722	Defined_Atom_Stereo_Count	0
53393586	Mono_Isotopic_Weight	527.23263824
78414	Hydrogen_Bond_Donor_Count	0
9794056	Defined_Atom_Stereo_Count	5
410214	Isotope_Atom_Count	0
994872	Hydrogen_Bond_Donor_Count	2
12467	Molecular_Weight	393.70
809622	Isotope_Atom_Count	0
4333	Undefined_Atom_Stereo_Count	2
72200876	Hydrogen_Bond_Acceptor_Count	7
17697	Structure_Complexity	131
1385867	Mono_Isotopic_Weight	102.128274515
67285	Mono_Isotopic_Weight	171.104799419
20710	Tautomer_Count	1
1479778	Exact_Mass	317.0641130
16106	XLogP3-AA	2.8
11779028	Rotatable_Bond_Count	2
99295	Molecular_Weight	87.15
5281037	Isotope_Atom_Count	0
12000240	Mono_Isotopic_Weight	569.17851286
398663	Hydrogen_Bond_Acceptor_Count	3
64369	Rotatable_Bond_Count	3
6195	TPSA	17.1
91788	Undefined_Atom_Stereo_Count	1
91805	XLogP3-AA	1.7
18506437	Undefined_Bond_Stereo_Count	0
44629522	Molecular_Weight	582.7
12580406	Total_Formal_Charge	0
3714	Structure_Complexity	700
2813772	Rotatable_Bond_Count	3
25101755	Covalent_Unit_Count	1
13200773	Defined_Atom_Stereo_Count	0
68081	Defined_Bond_Stereo_Count	0
51029964	Exact_Mass	463.18894022
65663	TPSA	97
15951420	Defined_Bond_Stereo_Count	0
5280353	Covalent_Unit_Count	1
153812233	Structure_Complexity	68.5
319701	Structure_Complexity	743
6604893	Exact_Mass	244.08120465
144793800	Mono_Isotopic_Weight	102.079312947
89349947	Non-hydrogen_Atom_Count	8
11698	Covalent_Unit_Count	1
22906680	Exact_Mass	109.052763847
8515	Isotope_Atom_Count	0
20465494	Structure_Complexity	84.1
46783403	TPSA	198
10483883	Isotope_Atom_Count	0
10049	XLogP3	2.7
16211286	Hydrogen_Bond_Acceptor_Count	11
13661	Defined_Atom_Stereo_Count	0
59117176	Non-hydrogen_Atom_Count	8
2136	Structure_Complexity	336
101973938	Structure_Complexity	772
2762830	Tautomer_Count	2
76583	Total_Formal_Charge	0
347381	TPSA	83.1
335	Mono_Isotopic_Weight	108.057514874
5460700	Defined_Atom_Stereo_Count	0
9874874	Hydrogen_Bond_Acceptor_Count	11
7991	Structure_Complexity	59.1
20192394	Structure_Complexity	139
2758223	Exact_Mass	197.9751535
2576	Hydrogen_Bond_Acceptor_Count	4
12248	Non-hydrogen_Atom_Count	6
13696436	Mono_Isotopic_Weight	335.9808379
84098	Hydrogen_Bond_Acceptor_Count	8
101254308	Molecular_Weight	182.15
53892222	Hydrogen_Bond_Acceptor_Count	5
92461203	Exact_Mass	313.1193192
13932	Total_Formal_Charge	0
439577	Hydrogen_Bond_Donor_Count	1
154416437	Undefined_Atom_Stereo_Count	2
9576891	Total_Formal_Charge	0
15983287	Defined_Bond_Stereo_Count	0
60196392	Non-hydrogen_Atom_Count	19
56928061	Defined_Bond_Stereo_Count	0
109198	Molecular_Weight	485.7
59772685	Molecular_Weight	432.4
23668198	Rotatable_Bond_Count	3
10290744	Defined_Atom_Stereo_Count	0
701498	Undefined_Bond_Stereo_Count	0
102552746	Undefined_Atom_Stereo_Count	1
135539121	Isotope_Atom_Count	0
23866	Isotope_Atom_Count	0
97524	Structure_Complexity	266
32350	Molecular_Weight	731.7
44336199	Defined_Atom_Stereo_Count	0
448051	Undefined_Bond_Stereo_Count	0
14671576	Hydrogen_Bond_Donor_Count	0
16220015	Molecular_Weight	360.4
5360237	Hydrogen_Bond_Acceptor_Count	19
20996	Hydrogen_Bond_Acceptor_Count	0
70783	Isotope_Atom_Count	0
528166	TPSA	0
11817188	Defined_Atom_Stereo_Count	0
6917778	Mono_Isotopic_Weight	282.1498911
557134	Mono_Isotopic_Weight	112.052429494
7085	Hydrogen_Bond_Acceptor_Count	3
266651	Non-hydrogen_Atom_Count	47
66683197	Undefined_Atom_Stereo_Count	1
198015	Undefined_Bond_Stereo_Count	0
60152109	Undefined_Bond_Stereo_Count	0
6492	Undefined_Bond_Stereo_Count	0
520744	Mono_Isotopic_Weight	142.135765193
124524089	TPSA	272
23723057	Rotatable_Bond_Count	1
8157	Defined_Atom_Stereo_Count	0
20234583	TPSA	20.2
9917	Tautomer_Count	1
154479899	Mono_Isotopic_Weight	112.052429494
83969	Defined_Bond_Stereo_Count	0
96257	Hydrogen_Bond_Acceptor_Count	6
53667465	Structure_Complexity	89.9
117881739	Total_Formal_Charge	0
121207368	TPSA	29.1
89741632	Molecular_Weight	416.5
2745	Undefined_Atom_Stereo_Count	5
157736	Exact_Mass	309.19400834
3990	Non-hydrogen_Atom_Count	31
2563	Total_Formal_Charge	0
10004622	Non-hydrogen_Atom_Count	34
5372813	Rotatable_Bond_Count	2
21618	Covalent_Unit_Count	1
12763	Isotope_Atom_Count	0
222536	TPSA	52.6
12760725	Total_Formal_Charge	0
97656	Non-hydrogen_Atom_Count	30
10130220	Defined_Atom_Stereo_Count	4
55840	Undefined_Atom_Stereo_Count	0
141466486	Defined_Bond_Stereo_Count	0
67686	Structure_Complexity	336
2898	Undefined_Atom_Stereo_Count	0
22153558	Mono_Isotopic_Weight	85.089149355
21501	Tautomer_Count	2
17344	Molecular_Weight	257.5
533854	XLogP3-AA	0.7
281	Structure_Complexity	10
9584	Covalent_Unit_Count	1
42580057	Undefined_Bond_Stereo_Count	0
7047	Covalent_Unit_Count	1
125820	Non-hydrogen_Atom_Count	21
15446403	Hydrogen_Bond_Acceptor_Count	1
19688498	Defined_Bond_Stereo_Count	0
85669790	XLogP3-AA	1.7
54435026	TPSA	29.5
43102	Hydrogen_Bond_Acceptor_Count	2
6433513	Covalent_Unit_Count	3
5489638	Undefined_Atom_Stereo_Count	0
5829	Molecular_Weight	102.18
57399440	Total_Formal_Charge	0
317	Defined_Atom_Stereo_Count	0
441406	Defined_Atom_Stereo_Count	7
76262	Covalent_Unit_Count	1
636367	Mono_Isotopic_Weight	193.05863707
13662384	Undefined_Bond_Stereo_Count	0
67437	Exact_Mass	156.115029749
27648	Tautomer_Count	1
101815861	Exact_Mass	273.870525
21991095	Mono_Isotopic_Weight	111.079647300
7854	Covalent_Unit_Count	1
90771502	Non-hydrogen_Atom_Count	8
12599701	Exact_Mass	102.068079557
219105	XLogP3	1.4
134032	Structure_Complexity	605
10290812	Covalent_Unit_Count	1
41574	TPSA	69.6
793266	Mono_Isotopic_Weight	262.0621387
8673	TPSA	151
12300006	XLogP3-AA	1.6
18712663	Tautomer_Count	1
131704316	Hydrogen_Bond_Acceptor_Count	10
41515	XLogP3-AA	3.6
5486998	TPSA	152
36431	TPSA	69.6
88027139	Defined_Atom_Stereo_Count	0
53393621	Isotope_Atom_Count	0
11126188	Isotope_Atom_Count	0
4036	Undefined_Bond_Stereo_Count	0
827	Molecular_Weight	152.15
7499	Total_Formal_Charge	0
441467	Molecular_Weight	261.27
139920	Tautomer_Count	1
94381	Molecular_Weight	333.4
64972	TPSA	65
13327304	Defined_Atom_Stereo_Count	0
78962	Hydrogen_Bond_Acceptor_Count	0
9164	Hydrogen_Bond_Acceptor_Count	0
73183709	Hydrogen_Bond_Donor_Count	1
11815841	Defined_Bond_Stereo_Count	0
12282	Exact_Mass	455.7369
13385	Rotatable_Bond_Count	0
55036	Structure_Complexity	593
136229126	Exact_Mass	206.17427596
6096206	Mono_Isotopic_Weight	830.24537723
163143	Hydrogen_Bond_Acceptor_Count	10
18999023	Isotope_Atom_Count	0
409746	Rotatable_Bond_Count	1
81184	Rotatable_Bond_Count	0
25006686	XLogP3-AA	4.7
123880197	Non-hydrogen_Atom_Count	8
11786594	TPSA	132
73828	XLogP3-AA	2.1
82335	Defined_Atom_Stereo_Count	1
11701	Structure_Complexity	159
14264246	Isotope_Atom_Count	0
123492457	TPSA	0
44387934	Defined_Bond_Stereo_Count	0
15827531	XLogP3-AA	2.2
17586	Hydrogen_Bond_Donor_Count	0
208916	Structure_Complexity	153
71454287	Hydrogen_Bond_Donor_Count	2
12298493	Hydrogen_Bond_Acceptor_Count	2
19118	Exact_Mass	501.98813164
138264	Tautomer_Count	1
12285892	Covalent_Unit_Count	1
12933763	Hydrogen_Bond_Donor_Count	1
32966	Defined_Atom_Stereo_Count	0
3094	Defined_Atom_Stereo_Count	0
666418	Exact_Mass	180.07211956
43704	Covalent_Unit_Count	1
6324103	Hydrogen_Bond_Acceptor_Count	2
3649	Tautomer_Count	1
9861780	Hydrogen_Bond_Acceptor_Count	8
18273	Tautomer_Count	1
138195	TPSA	26.3
62351	Exact_Mass	147.01764164
11789157	Covalent_Unit_Count	1
19547	Defined_Bond_Stereo_Count	0
51814	Total_Formal_Charge	0
21924633	Covalent_Unit_Count	1
12414299	Total_Formal_Charge	0
12328	Covalent_Unit_Count	1
91067785	Covalent_Unit_Count	1
15570	XLogP3	0.5
13217239	Defined_Atom_Stereo_Count	0
91825716	Molecular_Weight	245.32
10701806	Molecular_Weight	114.14
16211283	Molecular_Weight	396.9
56953649	Structure_Complexity	490
62512	XLogP3-AA	9.7
13194811	Hydrogen_Bond_Donor_Count	0
688091	Molecular_Weight	214.24
44531955	Covalent_Unit_Count	1
446916	XLogP3-AA	2.9
31497	Mono_Isotopic_Weight	235.12084340
120737	Hydrogen_Bond_Donor_Count	1
3249988	Rotatable_Bond_Count	2
557678	Total_Formal_Charge	0
76968809	Isotope_Atom_Count	0
94154	Defined_Atom_Stereo_Count	2
10964453	TPSA	12.5
5293	Non-hydrogen_Atom_Count	37
731747	Hydrogen_Bond_Donor_Count	2
54160801	Molecular_Weight	98.10
121489349	Molecular_Weight	2013.3
42471	Molecular_Weight	382.0
18615953	Molecular_Weight	116.12
23378923	Hydrogen_Bond_Acceptor_Count	1
11635721	Total_Formal_Charge	0
6077	Structure_Complexity	414
124769750	Total_Formal_Charge	0
2734687	Structure_Complexity	41.6
98175	TPSA	27.7
13199930	Non-hydrogen_Atom_Count	12
2723766	Undefined_Bond_Stereo_Count	0
38306	Covalent_Unit_Count	1
1629	Defined_Bond_Stereo_Count	0
132541087	Molecular_Weight	260.33
6437875	Undefined_Atom_Stereo_Count	1
146779553	Undefined_Bond_Stereo_Count	0
843190	Mono_Isotopic_Weight	333.09358328
22134406	Hydrogen_Bond_Acceptor_Count	3
8881	Rotatable_Bond_Count	2
3795601	Non-hydrogen_Atom_Count	8
62332	Isotope_Atom_Count	0
9887537	Isotope_Atom_Count	0
11669	Tautomer_Count	1
68321895	Undefined_Bond_Stereo_Count	0
172285	TPSA	143
5065	Hydrogen_Bond_Acceptor_Count	11
56837137	Covalent_Unit_Count	2
44279790	Undefined_Atom_Stereo_Count	1
20483595	Mono_Isotopic_Weight	106.053098200
6481	Defined_Atom_Stereo_Count	0
7924	TPSA	35.5
60096125	Exact_Mass	113.047678466
71810	TPSA	26.3
6427110	Total_Formal_Charge	0
135403591	Hydrogen_Bond_Acceptor_Count	3
60196432	Mono_Isotopic_Weight	255.831566
131704262	Total_Formal_Charge	0
21805409	Non-hydrogen_Atom_Count	7
16906	Undefined_Bond_Stereo_Count	0
23165199	Undefined_Bond_Stereo_Count	0
91365800	Covalent_Unit_Count	1
71072040	TPSA	53
3779	Mono_Isotopic_Weight	211.12084340
72950888	Exact_Mass	571.18312413
12582	Isotope_Atom_Count	0
549876	Undefined_Atom_Stereo_Count	0
71455277	Isotope_Atom_Count	0
129012189	Rotatable_Bond_Count	7
93847	Hydrogen_Bond_Donor_Count	0
70069	Structure_Complexity	669
7496	Non-hydrogen_Atom_Count	20
3532561	Undefined_Atom_Stereo_Count	0
138122	Mono_Isotopic_Weight	41.026549100
3333	Exact_Mass	383.0691135
16693	Molecular_Weight	189.04
92131818	Isotope_Atom_Count	0
76957520	Undefined_Atom_Stereo_Count	0
21359	Isotope_Atom_Count	0
57829	Rotatable_Bond_Count	4
130443288	Mono_Isotopic_Weight	1201.84136802
23712863	Exact_Mass	105.1426841
4262071	TPSA	66.8
26129	Rotatable_Bond_Count	0
73557521	Molecular_Weight	190.09
74766064	Total_Formal_Charge	0
44187	TPSA	271
9578243	Total_Formal_Charge	0
140400	Undefined_Atom_Stereo_Count	0
71312306	Rotatable_Bond_Count	0
135400184	TPSA	106
675533	TPSA	77.2
104930	Defined_Bond_Stereo_Count	0
2021	Non-hydrogen_Atom_Count	23
5384876	Defined_Atom_Stereo_Count	0
45116623	Total_Formal_Charge	0
64737	Undefined_Bond_Stereo_Count	0
84647731	TPSA	29.5
44571147	Structure_Complexity	605
65420	Isotope_Atom_Count	0
57406717	Covalent_Unit_Count	1
671	Undefined_Bond_Stereo_Count	0
2801745	Defined_Atom_Stereo_Count	0
893	Hydrogen_Bond_Donor_Count	1
23210737	Hydrogen_Bond_Acceptor_Count	3
317459	Covalent_Unit_Count	1
2724564	Defined_Bond_Stereo_Count	0
87595	Undefined_Bond_Stereo_Count	0
823	Hydrogen_Bond_Acceptor_Count	6
7487	Hydrogen_Bond_Donor_Count	0
3296738	XLogP3-AA	2.4
2734664	Exact_Mass	140.065741536
6209	Total_Formal_Charge	0
10975460	Structure_Complexity	106
57869404	Mono_Isotopic_Weight	114.104465066
2948	Undefined_Atom_Stereo_Count	0
23385871	TPSA	3.2
81415695	Mono_Isotopic_Weight	112.088815002
5130673	Defined_Bond_Stereo_Count	0
11240515	Non-hydrogen_Atom_Count	7
11876	Tautomer_Count	2
4646	XLogP3	1.6
81485	TPSA	99.9
90754	Covalent_Unit_Count	1
14462	Covalent_Unit_Count	1
67239	Undefined_Atom_Stereo_Count	0
59886072	Undefined_Bond_Stereo_Count	0
18999022	Undefined_Atom_Stereo_Count	2
72429	TPSA	169
15532	TPSA	89.8
284950	Covalent_Unit_Count	1
6323264	Total_Formal_Charge	0
44338970	Hydrogen_Bond_Donor_Count	3
176907	Non-hydrogen_Atom_Count	19
439918	Molecular_Weight	175.14
3026856	Undefined_Atom_Stereo_Count	0
55004	Total_Formal_Charge	0
35935	Covalent_Unit_Count	1
71720685	Hydrogen_Bond_Acceptor_Count	11
642240	Rotatable_Bond_Count	2
5717	XLogP3-AA	5.5
1486	Undefined_Bond_Stereo_Count	0
2014	Exact_Mass	288.0777887
22266611	Defined_Bond_Stereo_Count	0
781234	TPSA	48.9
123097	Exact_Mass	79.0532269373
83909	Molecular_Weight	360.3
3045402	Undefined_Atom_Stereo_Count	0
194647	Mono_Isotopic_Weight	495.16014201
446113	Undefined_Bond_Stereo_Count	0
23087	Exact_Mass	153.078978594
123832392	Hydrogen_Bond_Donor_Count	0
7496	XLogP3-AA	3.7
148121	Molecular_Weight	477.5
10405318	Undefined_Atom_Stereo_Count	0
474523	Total_Formal_Charge	0
14924951	Isotope_Atom_Count	0
15004	Defined_Bond_Stereo_Count	0
89976630	Exact_Mass	107.037113783
71172	Total_Formal_Charge	0
91667835	Rotatable_Bond_Count	4
4351	Undefined_Atom_Stereo_Count	0
19851301	Undefined_Atom_Stereo_Count	0
21973793	Undefined_Bond_Stereo_Count	0
6440764	Molecular_Weight	574.3
6432105	Exact_Mass	326.199428076
46195832	Tautomer_Count	308
11657	Total_Formal_Charge	0
5283338	Defined_Bond_Stereo_Count	1
60196284	Non-hydrogen_Atom_Count	31
18984521	Hydrogen_Bond_Donor_Count	1
26192	Undefined_Bond_Stereo_Count	0
3034010	Defined_Bond_Stereo_Count	0
11062312	XLogP3-AA	1.1
13610	Tautomer_Count	1
62802	Isotope_Atom_Count	0
20129	Total_Formal_Charge	0
1035	Rotatable_Bond_Count	12
562087	Mono_Isotopic_Weight	206.094294304
123381573	Mono_Isotopic_Weight	86.048012819
61029	Hydrogen_Bond_Acceptor_Count	3
17806836	Covalent_Unit_Count	1
2733525	Exact_Mass	563.25191714
25008940	Defined_Atom_Stereo_Count	2
165637859	Molecular_Weight	112.13
3365553	Defined_Atom_Stereo_Count	0
143061	Isotope_Atom_Count	0
94746	Non-hydrogen_Atom_Count	8
70128954	Defined_Atom_Stereo_Count	0
631271	Structure_Complexity	426
61265	Exact_Mass	115.099714038
9574768	Total_Formal_Charge	0
88715	Non-hydrogen_Atom_Count	18
17816	Total_Formal_Charge	0
147912	Undefined_Atom_Stereo_Count	1
89518758	Total_Formal_Charge	0
11815279	Molecular_Weight	80.13
68292207	TPSA	36
101808860	Defined_Atom_Stereo_Count	0
69016240	Structure_Complexity	229
11462546	Non-hydrogen_Atom_Count	26
139105	Tautomer_Count	1
5311356	Molecular_Weight	398.5
54036153	Molecular_Weight	111.14
66136	Hydrogen_Bond_Acceptor_Count	4
21118312	Defined_Atom_Stereo_Count	7
5282227	Hydrogen_Bond_Acceptor_Count	7
805985	Covalent_Unit_Count	1
230995	Exact_Mass	162.068079557
557021	Undefined_Bond_Stereo_Count	0
71333816	Isotope_Atom_Count	0
123612613	Total_Formal_Charge	0
23422	Hydrogen_Bond_Donor_Count	8
70696864	XLogP3-AA	2.1
36572	Hydrogen_Bond_Donor_Count	0
23692128	Non-hydrogen_Atom_Count	48
118944	Non-hydrogen_Atom_Count	8
65759	Structure_Complexity	582
879	Defined_Atom_Stereo_Count	0
64212	Covalent_Unit_Count	1
21637412	Exact_Mass	410.24570956
9815576	TPSA	132
90078	Tautomer_Count	3
7470	XLogP3	2.3
521300	Undefined_Atom_Stereo_Count	0
126968498	Undefined_Atom_Stereo_Count	0
1135	Total_Formal_Charge	0
123737063	Defined_Atom_Stereo_Count	0
34515	Molecular_Weight	332.4
66708	Undefined_Bond_Stereo_Count	0
23496	Exact_Mass	189.87999
7370	Non-hydrogen_Atom_Count	10
6474320	Total_Formal_Charge	0
21784	Defined_Bond_Stereo_Count	0
102069	Non-hydrogen_Atom_Count	32
165	Defined_Atom_Stereo_Count	0
123133975	Defined_Atom_Stereo_Count	11
12888	Isotope_Atom_Count	0
38455	Total_Formal_Charge	0
16117309	Isotope_Atom_Count	0
131407356	TPSA	51.8
7070	Tautomer_Count	1
108018	Defined_Bond_Stereo_Count	0
5245	Exact_Mass	283.00107569
19595920	Defined_Bond_Stereo_Count	0
7007	Tautomer_Count	1
2060890	Exact_Mass	342.0771200
44565798	XLogP3-AA	1.7
50514	Rotatable_Bond_Count	9
2742181	Defined_Atom_Stereo_Count	0
9639	Undefined_Bond_Stereo_Count	0
8919	Tautomer_Count	1
19423644	Non-hydrogen_Atom_Count	7
97832	Molecular_Weight	100.12
62173	XLogP3-AA	5.9
49866901	TPSA	148
19375411	Structure_Complexity	119
123161	Rotatable_Bond_Count	0
21364	Hydrogen_Bond_Donor_Count	0
45275554	Undefined_Bond_Stereo_Count	0
44338773	Defined_Bond_Stereo_Count	0
60199965	Rotatable_Bond_Count	6
122108	Hydrogen_Bond_Donor_Count	7
534940	Mono_Isotopic_Weight	101.047678466
53865481	Defined_Bond_Stereo_Count	0
55300789	Undefined_Bond_Stereo_Count	0
2724505	Covalent_Unit_Count	1
164164517	Isotope_Atom_Count	0
21537140	Isotope_Atom_Count	0
60169	Rotatable_Bond_Count	29
21916	Non-hydrogen_Atom_Count	23
33068	Hydrogen_Bond_Donor_Count	1
40185	Covalent_Unit_Count	1
123242204	Molecular_Weight	114.14
156970	Hydrogen_Bond_Donor_Count	0
17719	Covalent_Unit_Count	1
66558858	Rotatable_Bond_Count	3
44419240	Defined_Atom_Stereo_Count	1
168908	Hydrogen_Bond_Acceptor_Count	6
25110841	Defined_Bond_Stereo_Count	0
135473834	Undefined_Bond_Stereo_Count	0
22327	Mono_Isotopic_Weight	266.297351212
69624	TPSA	0
94228	Structure_Complexity	574
118210311	Non-hydrogen_Atom_Count	8
3790985	Total_Formal_Charge	0
7450	Total_Formal_Charge	0
91528	Undefined_Atom_Stereo_Count	1
12271341	Covalent_Unit_Count	1
53701126	Undefined_Bond_Stereo_Count	0
139042762	Defined_Bond_Stereo_Count	0
9801597	Covalent_Unit_Count	1
17129	Hydrogen_Bond_Donor_Count	0
129627537	Structure_Complexity	3150
595	Hydrogen_Bond_Donor_Count	4
19130	Rotatable_Bond_Count	5
91514136	Structure_Complexity	86.1
98468	Tautomer_Count	1
9141	Hydrogen_Bond_Acceptor_Count	1
135408511	XLogP3-AA	4.5
21481285	Defined_Atom_Stereo_Count	0
12544790	Hydrogen_Bond_Acceptor_Count	1
62724	Molecular_Weight	412.3
12962871	Defined_Bond_Stereo_Count	0
234735	Undefined_Bond_Stereo_Count	0
10953798	Structure_Complexity	0
25124826	Molecular_Weight	444.5
6437385	Mono_Isotopic_Weight	858.47655690
27522	Molecular_Weight	576.3
8177	Exact_Mass	162.125594432
9971484	Undefined_Bond_Stereo_Count	0
7579	Structure_Complexity	162
70077074	Undefined_Bond_Stereo_Count	0
14197638	TPSA	26
714	Total_Formal_Charge	0
153816117	Molecular_Weight	113.11
843179	TPSA	82.8
87823	Isotope_Atom_Count	0
11332416	Isotope_Atom_Count	5
2422	Molecular_Weight	340.4
11229	Total_Formal_Charge	0
13166770	XLogP3-AA	1.5
323004	Undefined_Bond_Stereo_Count	0
129627802	XLogP3-AA	2.1
57340472	Defined_Atom_Stereo_Count	0
59296041	XLogP3-AA	1.6
71309	Isotope_Atom_Count	0
58516110	Structure_Complexity	685
518234	XLogP3-AA	1.5
23670844	Total_Formal_Charge	0
19425	Total_Formal_Charge	0
6437064	Exact_Mass	688.39751874
9934678	Non-hydrogen_Atom_Count	29
101116130	Mono_Isotopic_Weight	108.032362755
57882	Rotatable_Bond_Count	11
6918331	Hydrogen_Bond_Donor_Count	2
9601896	Defined_Atom_Stereo_Count	0
98889	Defined_Bond_Stereo_Count	0
58265621	Non-hydrogen_Atom_Count	7
20872204	TPSA	51.6
20442	Covalent_Unit_Count	1
128918	Undefined_Bond_Stereo_Count	0
44560080	Defined_Atom_Stereo_Count	9
5460294	Mono_Isotopic_Weight	132.02968267
91386640	Non-hydrogen_Atom_Count	7
21354474	Total_Formal_Charge	0
70048	Defined_Atom_Stereo_Count	0
5273472	Hydrogen_Bond_Donor_Count	1
57357187	Hydrogen_Bond_Donor_Count	1
375912	Hydrogen_Bond_Acceptor_Count	1
10885665	Non-hydrogen_Atom_Count	35
8265	XLogP3-AA	2.4
77676	Molecular_Weight	136.17
54120934	Molecular_Weight	99.09
5094	Undefined_Bond_Stereo_Count	0
760021	Molecular_Weight	229.27
21867279	Non-hydrogen_Atom_Count	3
91827561	Hydrogen_Bond_Acceptor_Count	18
84151	XLogP3	4.5
15103	Isotope_Atom_Count	0
52942291	Defined_Atom_Stereo_Count	1
31423	Rotatable_Bond_Count	0
606817	TPSA	135
154017157	Undefined_Bond_Stereo_Count	0
10275789	XLogP3-AA	3.8
2103	Isotope_Atom_Count	0
3363251	Hydrogen_Bond_Acceptor_Count	2
147226284	Undefined_Atom_Stereo_Count	2
80369	Total_Formal_Charge	0
568783	Isotope_Atom_Count	0
139742	Mono_Isotopic_Weight	108.068748264
123698	TPSA	20.3
542338	Mono_Isotopic_Weight	100.088815002
550811	Covalent_Unit_Count	1
89131	Structure_Complexity	320
23549397	Total_Formal_Charge	0
14965861	Covalent_Unit_Count	1
7213679	Isotope_Atom_Count	0
53477794	Defined_Bond_Stereo_Count	1
65624	Isotope_Atom_Count	0
36383	XLogP3-AA	0.4
123692	Defined_Atom_Stereo_Count	0
135415564	Hydrogen_Bond_Donor_Count	5
14464	Tautomer_Count	1
155894642	Undefined_Atom_Stereo_Count	0
71737801	Undefined_Bond_Stereo_Count	0
22749	Exact_Mass	116.120115130
58501	Defined_Atom_Stereo_Count	0
15273943	XLogP3-AA	1.4
74080	Hydrogen_Bond_Acceptor_Count	2
68169200	Structure_Complexity	122
140523	Exact_Mass	125.058911855
10357919	Molecular_Weight	308.4
494148	Undefined_Atom_Stereo_Count	8
12527495	Undefined_Bond_Stereo_Count	0
13123	Defined_Bond_Stereo_Count	0
67591	TPSA	44.8
2469	Defined_Atom_Stereo_Count	0
637932	Hydrogen_Bond_Donor_Count	0
23642227	Exact_Mass	580.28969963
23689036	Defined_Bond_Stereo_Count	0
11831	Total_Formal_Charge	0
5944	Exact_Mass	196.07355886
91163310	Hydrogen_Bond_Donor_Count	0
96201	XLogP3-AA	4.9
67356	Molecular_Weight	510.4
47167	Covalent_Unit_Count	1
123228414	Hydrogen_Bond_Donor_Count	1
12161	TPSA	0
543995	Exact_Mass	114.068079557
10456134	Covalent_Unit_Count	1
13908	Rotatable_Bond_Count	0
15910	Undefined_Bond_Stereo_Count	0
15615	Undefined_Atom_Stereo_Count	0
18710462	Isotope_Atom_Count	0
76922	Undefined_Bond_Stereo_Count	0
3661	Non-hydrogen_Atom_Count	21
23723027	Structure_Complexity	121
820051	Non-hydrogen_Atom_Count	12
47491	Structure_Complexity	514
6746	Isotope_Atom_Count	0
139254656	Mono_Isotopic_Weight	242.07251349
19375416	Mono_Isotopic_Weight	110.073164938
95162410	Hydrogen_Bond_Acceptor_Count	11
56205	Structure_Complexity	672
108059	XLogP3-AA	2.9
28332	Tautomer_Count	1
763936	Structure_Complexity	208
31097	Hydrogen_Bond_Donor_Count	1
23695982	Hydrogen_Bond_Donor_Count	1
56635545	Undefined_Bond_Stereo_Count	0
63093	Isotope_Atom_Count	0
2922	Undefined_Bond_Stereo_Count	2
67191	TPSA	86.7
73229	Covalent_Unit_Count	1
12598088	Hydrogen_Bond_Donor_Count	1
7015	Defined_Atom_Stereo_Count	0
73913	Hydrogen_Bond_Acceptor_Count	5
21701560	Undefined_Bond_Stereo_Count	0
18766934	XLogP3-AA	1.3
122451302	Exact_Mass	416.32904526
445715	Covalent_Unit_Count	1
121231162	Defined_Atom_Stereo_Count	3
11521070	Undefined_Bond_Stereo_Count	0
8203	Non-hydrogen_Atom_Count	21
72200631	Mono_Isotopic_Weight	579.26411653
20387237	Undefined_Atom_Stereo_Count	2
688938	Hydrogen_Bond_Donor_Count	0
5484286	Undefined_Atom_Stereo_Count	0
15529	Hydrogen_Bond_Acceptor_Count	3
3883	Undefined_Atom_Stereo_Count	1
75464	Undefined_Bond_Stereo_Count	0
21047	Mono_Isotopic_Weight	397.24259324
131728182	Exact_Mass	183.0697956
16409	Exact_Mass	366.02863691
11451	Molecular_Weight	174.18
53631972	Total_Formal_Charge	0
12190	Molecular_Weight	120.15
82755	TPSA	60.7
3073200	Defined_Bond_Stereo_Count	0
11534	Defined_Atom_Stereo_Count	0
485482	Molecular_Weight	309.4
23642	Mono_Isotopic_Weight	140.02958605
126968951	Hydrogen_Bond_Donor_Count	4
11954258	Molecular_Weight	667.8
64964	Non-hydrogen_Atom_Count	14
12695795	Defined_Bond_Stereo_Count	0
11541153	Defined_Bond_Stereo_Count	0
10441672	Covalent_Unit_Count	1
52291	Hydrogen_Bond_Acceptor_Count	1
20699949	Hydrogen_Bond_Donor_Count	2
4472	Undefined_Bond_Stereo_Count	0
40466988	Rotatable_Bond_Count	11
24808	Defined_Atom_Stereo_Count	0
20220664	Hydrogen_Bond_Acceptor_Count	2
3239396	Non-hydrogen_Atom_Count	20
139782102	Hydrogen_Bond_Donor_Count	1
34763	Defined_Bond_Stereo_Count	0
49862872	Total_Formal_Charge	0
71277	Isotope_Atom_Count	0
3955344	Structure_Complexity	599
13153908	Isotope_Atom_Count	0
100969894	Isotope_Atom_Count	0
121972	Mono_Isotopic_Weight	340.06478
21303298	Total_Formal_Charge	0
9106	Rotatable_Bond_Count	0
3082780	Hydrogen_Bond_Acceptor_Count	2
4436	Non-hydrogen_Atom_Count	16
71457269	Hydrogen_Bond_Acceptor_Count	6
446934	Molecular_Weight	292.5
5324776	Undefined_Atom_Stereo_Count	0
141344	Covalent_Unit_Count	1
2987927	Undefined_Atom_Stereo_Count	1
1219	Isotope_Atom_Count	0
9821849	Molecular_Weight	391.5
84063980	Defined_Bond_Stereo_Count	0
145996610	Undefined_Atom_Stereo_Count	0
61833	Rotatable_Bond_Count	0
70280758	Rotatable_Bond_Count	4
192627	Molecular_Weight	289.33
72137	Isotope_Atom_Count	0
23158108	Structure_Complexity	51.9
5485193	Structure_Complexity	619
69333956	Non-hydrogen_Atom_Count	8
20767631	Structure_Complexity	104
162652	TPSA	93.4
522841	Hydrogen_Bond_Donor_Count	0
599202	Exact_Mass	173.084063974
101316975	TPSA	135
7018640	Mono_Isotopic_Weight	111.079647300
66187	Total_Formal_Charge	0
3086652	Undefined_Bond_Stereo_Count	0
9270	Rotatable_Bond_Count	5
13574950	Defined_Atom_Stereo_Count	0
13807316	Undefined_Bond_Stereo_Count	0
3340552	Undefined_Atom_Stereo_Count	0
6363	Total_Formal_Charge	0
9690	XLogP3	4.7
6432238	Structure_Complexity	2.8
12298493	TPSA	44
16719	Non-hydrogen_Atom_Count	12
13401731	TPSA	21.9
366731	Non-hydrogen_Atom_Count	18
8109	Molecular_Weight	104.15
2423	Defined_Atom_Stereo_Count	0
8283	Defined_Bond_Stereo_Count	0
13918	Hydrogen_Bond_Acceptor_Count	1
15001198	Hydrogen_Bond_Acceptor_Count	0
20475566	Total_Formal_Charge	0
460612	Mono_Isotopic_Weight	304.0745332
57369253	Isotope_Atom_Count	6
854019	Isotope_Atom_Count	0
684	Hydrogen_Bond_Acceptor_Count	16
447555	Defined_Atom_Stereo_Count	1
74279	Total_Formal_Charge	0
21895916	Defined_Atom_Stereo_Count	0
71452498	Total_Formal_Charge	0
174782	Structure_Complexity	841
65591	Isotope_Atom_Count	0
77949	Defined_Bond_Stereo_Count	0
5391	Rotatable_Bond_Count	1
69627204	Hydrogen_Bond_Donor_Count	0
146027509	Molecular_Weight	527.5
5352728	Structure_Complexity	90.9
29359	Undefined_Bond_Stereo_Count	0
151746651	Undefined_Atom_Stereo_Count	0
55790	TPSA	34.5
57404185	Total_Formal_Charge	0
80281	Undefined_Atom_Stereo_Count	0
44631912	Defined_Atom_Stereo_Count	0
15972136	Hydrogen_Bond_Donor_Count	0
520190	Molecular_Weight	290.5
590907	Rotatable_Bond_Count	0
446925	Rotatable_Bond_Count	16
11077530	Molecular_Weight	303.14
22784	Undefined_Atom_Stereo_Count	0
16620	Mono_Isotopic_Weight	109.089149355
52943962	Defined_Atom_Stereo_Count	0
447877	Rotatable_Bond_Count	28
129675901	Structure_Complexity	226
17835	Non-hydrogen_Atom_Count	11
5064267	Exact_Mass	405.99294301
11673085	Defined_Atom_Stereo_Count	1
2554	TPSA	46.3
16083167	Undefined_Bond_Stereo_Count	0
67054	Undefined_Bond_Stereo_Count	0
71777706	Rotatable_Bond_Count	6
71812105	Hydrogen_Bond_Acceptor_Count	3
47640	Defined_Bond_Stereo_Count	0
30251	Defined_Atom_Stereo_Count	0
31528	Isotope_Atom_Count	0
155143	TPSA	43.4
9951932	Total_Formal_Charge	0
6976	Isotope_Atom_Count	0
45934355	Structure_Complexity	457
133562630	Mono_Isotopic_Weight	815.44559113
2465	Tautomer_Count	1
87439	Total_Formal_Charge	0
23714647	Total_Formal_Charge	0
85570	Rotatable_Bond_Count	0
636367	Molecular_Weight	193.15
81867	Exact_Mass	257.0243562
30692	XLogP3	3.1
3237289	Hydrogen_Bond_Donor_Count	0
60710317	Undefined_Atom_Stereo_Count	0
60196293	Exact_Mass	372.1404692
60196348	Hydrogen_Bond_Donor_Count	1
67249135	Hydrogen_Bond_Donor_Count	1
5355856	Mono_Isotopic_Weight	224.177630004
46239	Undefined_Bond_Stereo_Count	0
148191	Rotatable_Bond_Count	11
4034	Structure_Complexity	448
57541295	Molecular_Weight	391.5
6440180	Covalent_Unit_Count	1
158627	Undefined_Atom_Stereo_Count	0
21996040	Exact_Mass	114.104465066
10558590	Exact_Mass	113.084063974
11737	Isotope_Atom_Count	0
19028568	Isotope_Atom_Count	0
360081	Isotope_Atom_Count	0
657141	Undefined_Atom_Stereo_Count	0
23629997	Covalent_Unit_Count	1
160883	Hydrogen_Bond_Acceptor_Count	4
627254	Rotatable_Bond_Count	8
11567	Hydrogen_Bond_Donor_Count	0
534094	Undefined_Bond_Stereo_Count	0
65870	Isotope_Atom_Count	0
475319	Molecular_Weight	426.4
124600	Rotatable_Bond_Count	4
3154	XLogP3-AA	0.4
1086	Undefined_Bond_Stereo_Count	0
40539	Non-hydrogen_Atom_Count	13
75358112	Undefined_Bond_Stereo_Count	0
329983	TPSA	13.1
22500965	Molecular_Weight	138.17
322	Structure_Complexity	178
2733336	Molecular_Weight	48.02
134687950	Exact_Mass	493.23118169
55285	XLogP3-AA	4.9
21855	Tautomer_Count	2
118994155	Isotope_Atom_Count	0
139352	Total_Formal_Charge	0
656954	Non-hydrogen_Atom_Count	20
108381	Tautomer_Count	3
23163355	Defined_Atom_Stereo_Count	0
42185	TPSA	65.1
54746	Undefined_Atom_Stereo_Count	0
91657	Hydrogen_Bond_Acceptor_Count	6
2058	Isotope_Atom_Count	0
89843393	Isotope_Atom_Count	0
2336530	Defined_Atom_Stereo_Count	0
380929	Hydrogen_Bond_Donor_Count	4
96393	Mono_Isotopic_Weight	126.079312947
68109743	TPSA	112
14437479	Isotope_Atom_Count	0
45	Undefined_Atom_Stereo_Count	0
19828393	Mono_Isotopic_Weight	135.079647300
267769	Structure_Complexity	426
461307	Hydrogen_Bond_Acceptor_Count	9
71713950	Structure_Complexity	543
12151528	Hydrogen_Bond_Acceptor_Count	2
694041	Hydrogen_Bond_Donor_Count	2
8900	Mono_Isotopic_Weight	100.125200510
3388	Undefined_Atom_Stereo_Count	0
60613	Covalent_Unit_Count	1
21804	Undefined_Bond_Stereo_Count	0
533460	Mono_Isotopic_Weight	71.073499291
9988947	Defined_Atom_Stereo_Count	10
5281070	Covalent_Unit_Count	2
12302681	Non-hydrogen_Atom_Count	23
73200935	Isotope_Atom_Count	0
140287425	Hydrogen_Bond_Acceptor_Count	1
23080912	Total_Formal_Charge	0
118796404	TPSA	241
69016240	Defined_Bond_Stereo_Count	0
67419859	Rotatable_Bond_Count	11
21922278	Non-hydrogen_Atom_Count	7
140996483	Structure_Complexity	99.9
528603	Hydrogen_Bond_Donor_Count	1
109094	Undefined_Atom_Stereo_Count	0
3486	Structure_Complexity	569
14129	Undefined_Atom_Stereo_Count	0
72092	Structure_Complexity	600
4485	Covalent_Unit_Count	1
164167667	Total_Formal_Charge	0
628127	Isotope_Atom_Count	0
72200166	Defined_Atom_Stereo_Count	3
165363357	Defined_Atom_Stereo_Count	7
3055171	Rotatable_Bond_Count	4
81837	Undefined_Atom_Stereo_Count	0
93036	Exact_Mass	385.95146
18497	Total_Formal_Charge	0
16683008	Isotope_Atom_Count	0
59901542	Molecular_Weight	19.057
60573	Exact_Mass	363.11978
13719374	TPSA	20.2
67258919	Undefined_Atom_Stereo_Count	0
24066	Hydrogen_Bond_Donor_Count	2
14806	Tautomer_Count	3
11801	Non-hydrogen_Atom_Count	17
89152969	Exact_Mass	114.104465066
41508	Isotope_Atom_Count	0
45357563	Exact_Mass	406.21555225
223	Defined_Bond_Stereo_Count	0
91604	Exact_Mass	210.161979940
71343994	Defined_Atom_Stereo_Count	0
433902	Mono_Isotopic_Weight	904.44565070
220861	Hydrogen_Bond_Acceptor_Count	14
347477	Covalent_Unit_Count	1
42552662	Non-hydrogen_Atom_Count	23
15732451	Rotatable_Bond_Count	4
10887866	Defined_Atom_Stereo_Count	0
12349471	Undefined_Bond_Stereo_Count	0
7048707	Hydrogen_Bond_Acceptor_Count	2
54526114	Hydrogen_Bond_Donor_Count	0
444837	Undefined_Bond_Stereo_Count	0
101609	Undefined_Bond_Stereo_Count	0
60196441	Mono_Isotopic_Weight	613.21753896
61583	Defined_Bond_Stereo_Count	0
39185	Hydrogen_Bond_Donor_Count	0
11562233	Defined_Atom_Stereo_Count	0
68356363	Covalent_Unit_Count	1
30773	Hydrogen_Bond_Acceptor_Count	6
70447162	Hydrogen_Bond_Donor_Count	0
11655511	Structure_Complexity	732
10192685	Total_Formal_Charge	0
7642	Rotatable_Bond_Count	22
51235	Hydrogen_Bond_Donor_Count	2
350825	Undefined_Bond_Stereo_Count	0
657	Hydrogen_Bond_Donor_Count	7
21902132	Molecular_Weight	101.10
34560	Undefined_Atom_Stereo_Count	0
36037	Mono_Isotopic_Weight	267.173547683
22157549	XLogP3-AA	6.7
129826870	Isotope_Atom_Count	0
11870427	Undefined_Bond_Stereo_Count	0
11389423	Mono_Isotopic_Weight	138.140850574
60044711	Isotope_Atom_Count	0
12014	Undefined_Bond_Stereo_Count	1
13709	Non-hydrogen_Atom_Count	16
13291788	Non-hydrogen_Atom_Count	7
71258	Exact_Mass	314.17427596
711468	Non-hydrogen_Atom_Count	17
30020	Covalent_Unit_Count	1
25657	Hydrogen_Bond_Acceptor_Count	1
177168	Total_Formal_Charge	0
64765	TPSA	4.2
787	Defined_Bond_Stereo_Count	0
3033877	Defined_Atom_Stereo_Count	0
89651175	Defined_Atom_Stereo_Count	0
57159129	Isotope_Atom_Count	0
92272	TPSA	63.6
10986185	Exact_Mass	113.084063974
5319880	Isotope_Atom_Count	0
5934	Exact_Mass	239.142247555
119025724	Undefined_Bond_Stereo_Count	0
69088	Structure_Complexity	232
67683363	Total_Formal_Charge	0
10176670	XLogP3-AA	2.2
12068306	TPSA	0
710649	Molecular_Weight	318.4
61028	Defined_Bond_Stereo_Count	0
8189	Undefined_Bond_Stereo_Count	0
123868	Non-hydrogen_Atom_Count	10
32767	Defined_Bond_Stereo_Count	0
2539	Mono_Isotopic_Weight	510.16383041
64966	Hydrogen_Bond_Acceptor_Count	4
705645	Undefined_Bond_Stereo_Count	0
9961939	Mono_Isotopic_Weight	726.07603
21973740	Undefined_Atom_Stereo_Count	2
21271257	Defined_Atom_Stereo_Count	0
7390	Defined_Atom_Stereo_Count	0
155448	TPSA	99.4
11723971	Undefined_Atom_Stereo_Count	0
115011064	Non-hydrogen_Atom_Count	8
4369233	Non-hydrogen_Atom_Count	18
6918078	Rotatable_Bond_Count	8
25249	Hydrogen_Bond_Donor_Count	2
46882191	Exact_Mass	420.22737416
12343986	Covalent_Unit_Count	1
44353367	Mono_Isotopic_Weight	344.0119330
87906	Undefined_Atom_Stereo_Count	0
13184281	Mono_Isotopic_Weight	118.062994177
117291	Rotatable_Bond_Count	16
13507024	Tautomer_Count	23
20767631	Defined_Atom_Stereo_Count	0
19082030	Molecular_Weight	114.17
54487968	Mono_Isotopic_Weight	110.109550447
19254	TPSA	75.3
3482402	Total_Formal_Charge	0
91749	Defined_Atom_Stereo_Count	0
11263485	Structure_Complexity	53.5
54234	Defined_Bond_Stereo_Count	0
35367	Mono_Isotopic_Weight	112.125200510
9989226	Non-hydrogen_Atom_Count	5
135415564	Exact_Mass	846.44150881
165664742	Structure_Complexity	124
7910	Isotope_Atom_Count	0
134826475	Isotope_Atom_Count	0
67972405	Molecular_Weight	111.10
138493	Defined_Atom_Stereo_Count	0
29936	TPSA	0
76687	Rotatable_Bond_Count	5
68238	Total_Formal_Charge	0
55288198	Non-hydrogen_Atom_Count	8
70308	Hydrogen_Bond_Donor_Count	0
137224318	Exact_Mass	500.18484064
80108978	Molecular_Weight	112.13
135491830	Mono_Isotopic_Weight	327.18681496
13854	Non-hydrogen_Atom_Count	7
32924	Structure_Complexity	126
5111	Structure_Complexity	615
11105655	Hydrogen_Bond_Donor_Count	0
11740218	Exact_Mass	375.1601214
129073603	Defined_Bond_Stereo_Count	0
9889823	Molecular_Weight	447.5
139043493	Defined_Atom_Stereo_Count	0
71091807	Total_Formal_Charge	0
110	Exact_Mass	151.97794440
10946	Defined_Atom_Stereo_Count	0
227996	Rotatable_Bond_Count	2
153834924	Molecular_Weight	98.10
13220	Molecular_Weight	155.24
64061	Undefined_Bond_Stereo_Count	0
549253	Covalent_Unit_Count	1
10264356	Total_Formal_Charge	0
10887840	Covalent_Unit_Count	1
89759530	Defined_Bond_Stereo_Count	0
27119	Molecular_Weight	216.66
5318385	Defined_Atom_Stereo_Count	2
134692366	Exact_Mass	413.22743373
16667743	Undefined_Atom_Stereo_Count	0
3571519	Structure_Complexity	166
67233382	Exact_Mass	367.12560926
21027022	Defined_Bond_Stereo_Count	0
57164040	TPSA	210
5983	Isotope_Atom_Count	0
107885	XLogP3	6.3
8118	Hydrogen_Bond_Donor_Count	0
84071885	Exact_Mass	116.058577502
12262514	Hydrogen_Bond_Donor_Count	1
16490	Defined_Atom_Stereo_Count	9
543882	TPSA	9.2
69892	Exact_Mass	189.115364102
14373	Rotatable_Bond_Count	5
44571221	Defined_Bond_Stereo_Count	0
138059742	Isotope_Atom_Count	0
51030053	Covalent_Unit_Count	1
82693	Undefined_Bond_Stereo_Count	0
529448	Defined_Bond_Stereo_Count	0
10630456	Mono_Isotopic_Weight	112.063662883
121026	Hydrogen_Bond_Acceptor_Count	3
107807	Hydrogen_Bond_Donor_Count	2
751505	Defined_Atom_Stereo_Count	1
90955914	Undefined_Bond_Stereo_Count	0
138718771	Mono_Isotopic_Weight	100.100048391
57916384	Isotope_Atom_Count	0
19422150	Rotatable_Bond_Count	1
21130160	Structure_Complexity	88.4
9231	Rotatable_Bond_Count	0
558502	Hydrogen_Bond_Donor_Count	1
19078026	Molecular_Weight	99.13
10909502	XLogP3	1.7
27919	Molecular_Weight	177.20
21144838	Structure_Complexity	320
5310967	XLogP3	1.1
3839223	TPSA	60.4
87793884	Undefined_Bond_Stereo_Count	0
23274077	XLogP3	1.6
19083156	TPSA	97.2
44144429	Undefined_Bond_Stereo_Count	0
16020006	Undefined_Bond_Stereo_Count	0
23665410	Defined_Bond_Stereo_Count	0
443753	Tautomer_Count	3
59173	Non-hydrogen_Atom_Count	18
44205240	Defined_Bond_Stereo_Count	0
688378	Hydrogen_Bond_Donor_Count	3
5311130	Non-hydrogen_Atom_Count	31
67314475	Exact_Mass	109.063997236
51464	Hydrogen_Bond_Donor_Count	0
55289911	Defined_Bond_Stereo_Count	0
139307343	Undefined_Bond_Stereo_Count	0
544588	Defined_Atom_Stereo_Count	0
60602	Structure_Complexity	1100
11093	Tautomer_Count	1
35330	Defined_Atom_Stereo_Count	0
59514	Isotope_Atom_Count	0
25010556	Defined_Bond_Stereo_Count	0
5364495	Undefined_Atom_Stereo_Count	0
1333	Undefined_Bond_Stereo_Count	0
2348480	Structure_Complexity	439
138860	Structure_Complexity	168
8028	Hydrogen_Bond_Donor_Count	0
53675483	Exact_Mass	416.32904526
7515	Rotatable_Bond_Count	1
32184	Total_Formal_Charge	0
44392103	Covalent_Unit_Count	1
135410916	Isotope_Atom_Count	0
159384	Isotope_Atom_Count	0
59483386	Covalent_Unit_Count	1
101544	Non-hydrogen_Atom_Count	21
1976	Undefined_Bond_Stereo_Count	0
8654	Isotope_Atom_Count	0
147684232	Defined_Atom_Stereo_Count	0
14791281	Mono_Isotopic_Weight	180.115029749
2114	Rotatable_Bond_Count	2
46591	Exact_Mass	215.175952981
7274	Tautomer_Count	1
60155097	Defined_Bond_Stereo_Count	0
23690444	Hydrogen_Bond_Acceptor_Count	3
97815	Molecular_Weight	96.13
138805	Undefined_Atom_Stereo_Count	2
122173994	Molecular_Weight	287.4
18787	Defined_Bond_Stereo_Count	0
38666	Undefined_Atom_Stereo_Count	0
11054	Isotope_Atom_Count	0
11827	Hydrogen_Bond_Donor_Count	1
11150163	Mono_Isotopic_Weight	279.14705815
14535398	Molecular_Weight	151.97
76373	Defined_Atom_Stereo_Count	0
634470	Rotatable_Bond_Count	4
543038	Non-hydrogen_Atom_Count	9
57328385	XLogP3-AA	4.9
135445761	Hydrogen_Bond_Donor_Count	1
505	Mono_Isotopic_Weight	354.05766507
35625	XLogP3-AA	3.5
5440	Structure_Complexity	455
637511	Mono_Isotopic_Weight	132.057514874
9966051	TPSA	40.6
39066	XLogP3-AA	5.2
65991760	Hydrogen_Bond_Donor_Count	1
102171995	Exact_Mass	312.162648646
2157	Defined_Atom_Stereo_Count	0
71517699	Rotatable_Bond_Count	5
59481545	Hydrogen_Bond_Donor_Count	1
73566	Defined_Bond_Stereo_Count	0
5222465	Exact_Mass	110.03437374
9568077	Defined_Bond_Stereo_Count	1
17961316	TPSA	46.2
736500	Rotatable_Bond_Count	1
10039	Defined_Atom_Stereo_Count	0
20673	Covalent_Unit_Count	2
31378	Hydrogen_Bond_Acceptor_Count	6
9835852	XLogP3-AA	1.8
92326	Exact_Mass	268.157563266
521701	Covalent_Unit_Count	5
18555	Total_Formal_Charge	0
79302	Covalent_Unit_Count	1
140732872	Defined_Bond_Stereo_Count	0
5326960	Isotope_Atom_Count	0
31772	Undefined_Atom_Stereo_Count	1
3452	Total_Formal_Charge	0
60688467	Defined_Atom_Stereo_Count	0
5702183	Exact_Mass	554.05420021
210328	TPSA	101
87784	Tautomer_Count	1
81093	XLogP3-AA	1.7
616573	Non-hydrogen_Atom_Count	18
70555429	Hydrogen_Bond_Donor_Count	1
22645860	Hydrogen_Bond_Acceptor_Count	3
54500069	Hydrogen_Bond_Donor_Count	2
9547096	Rotatable_Bond_Count	44
21430458	Mono_Isotopic_Weight	117.078978594
44455234	Hydrogen_Bond_Donor_Count	4
51346127	Exact_Mass	602.43351033
42627755	Hydrogen_Bond_Donor_Count	4
13483800	Undefined_Bond_Stereo_Count	0
12778904	Mono_Isotopic_Weight	84.068748264
5284391	Undefined_Bond_Stereo_Count	0
7087	Defined_Bond_Stereo_Count	0
79345	Isotope_Atom_Count	0
435360	Structure_Complexity	172
4914	Hydrogen_Bond_Acceptor_Count	4
101103333	Undefined_Bond_Stereo_Count	0
126636957	TPSA	279
439501	Hydrogen_Bond_Donor_Count	8
18403043	Molecular_Weight	499.5
64648	Tautomer_Count	1
13756	Total_Formal_Charge	0
135418296	Rotatable_Bond_Count	0
13070698	Structure_Complexity	53.6
66087	Structure_Complexity	102
36109	Molecular_Weight	257.33
101610369	Isotope_Atom_Count	0
9878679	Defined_Bond_Stereo_Count	0
1780	TPSA	37.3
571736	Non-hydrogen_Atom_Count	8
21802862	Undefined_Atom_Stereo_Count	0
67271	Exact_Mass	456.09662023
25512	Undefined_Bond_Stereo_Count	0
53316380	TPSA	61.6
52940883	Total_Formal_Charge	0
4604180	Defined_Atom_Stereo_Count	0
3000226	Total_Formal_Charge	0
9852981	XLogP3-AA	2.3
5208	Rotatable_Bond_Count	3
6604492	Molecular_Weight	525.6
12298391	Defined_Atom_Stereo_Count	0
90813484	Total_Formal_Charge	0
423	Undefined_Atom_Stereo_Count	1
59952	Defined_Bond_Stereo_Count	0
12536733	Total_Formal_Charge	0
595926	Covalent_Unit_Count	1
135484651	Mono_Isotopic_Weight	473.16589610
23003869	Rotatable_Bond_Count	1
145729	Mono_Isotopic_Weight	388.00728326
21014417	Total_Formal_Charge	0
22817455	Defined_Atom_Stereo_Count	4
1115	Undefined_Atom_Stereo_Count	9
6347538	Rotatable_Bond_Count	8
69109362	Mono_Isotopic_Weight	101.047678466
69990	Hydrogen_Bond_Acceptor_Count	1
138264	Defined_Atom_Stereo_Count	0
134687040	Mono_Isotopic_Weight	545.23667825
19871	Covalent_Unit_Count	1
11196237	Mono_Isotopic_Weight	260.08960285
21040078	Covalent_Unit_Count	1
86388	TPSA	70.3
154734215	Defined_Bond_Stereo_Count	0
11174599	Defined_Atom_Stereo_Count	9
129864896	Covalent_Unit_Count	1
54144657	Undefined_Bond_Stereo_Count	1
8565	Undefined_Bond_Stereo_Count	0
58642	TPSA	84.9
24949552	Undefined_Bond_Stereo_Count	0
44595707	Covalent_Unit_Count	1
3014295	TPSA	56.7
160940	Molecular_Weight	298.72
154104	Defined_Atom_Stereo_Count	1
146159220	Covalent_Unit_Count	1
36879	Exact_Mass	190.07759887
2485	Exact_Mass	555.27517176
636399	Isotope_Atom_Count	0
31952	Non-hydrogen_Atom_Count	12
85238	Defined_Bond_Stereo_Count	0
8657	Tautomer_Count	1
20531563	Exact_Mass	85.063997236
102402827	Covalent_Unit_Count	1
97127	Defined_Atom_Stereo_Count	0
60569	Tautomer_Count	1
76048	Isotope_Atom_Count	0
21120209	Hydrogen_Bond_Donor_Count	1
10414749	Hydrogen_Bond_Donor_Count	2
33473	Hydrogen_Bond_Donor_Count	1
991	Covalent_Unit_Count	1
50099	Exact_Mass	325.880439
13587089	Defined_Bond_Stereo_Count	0
57519510	Defined_Bond_Stereo_Count	0
85538	Rotatable_Bond_Count	5
70695760	Undefined_Bond_Stereo_Count	0
22882	Non-hydrogen_Atom_Count	21
89767	Structure_Complexity	754
2976	Non-hydrogen_Atom_Count	33
65067	Structure_Complexity	197
19077486	Undefined_Bond_Stereo_Count	0
54245381	Exact_Mass	118.099379685
2792	Undefined_Atom_Stereo_Count	7
7423	Mono_Isotopic_Weight	138.042927438
535824	Structure_Complexity	66.7
3347	Hydrogen_Bond_Acceptor_Count	4
12074440	Total_Formal_Charge	0
15027981	Rotatable_Bond_Count	0
2210	Non-hydrogen_Atom_Count	24
17946	Non-hydrogen_Atom_Count	11
12435	Tautomer_Count	2
94330	Covalent_Unit_Count	1
15413224	Defined_Atom_Stereo_Count	0
15950085	Non-hydrogen_Atom_Count	31
41539	Hydrogen_Bond_Acceptor_Count	2
138889	Rotatable_Bond_Count	3
3045225	Molecular_Weight	243.30
135018	Defined_Atom_Stereo_Count	3
319715	Mono_Isotopic_Weight	239.07937252
57448808	Hydrogen_Bond_Acceptor_Count	2
5546	Defined_Atom_Stereo_Count	0
6112114	Covalent_Unit_Count	1
17994055	Structure_Complexity	77.7
7540	Defined_Bond_Stereo_Count	0
11455910	Non-hydrogen_Atom_Count	41
17963332	Mono_Isotopic_Weight	541.1204976
15710945	Total_Formal_Charge	0
18324766	Defined_Atom_Stereo_Count	0
142403683	Defined_Atom_Stereo_Count	0
57473636	Undefined_Bond_Stereo_Count	0
701617	Mono_Isotopic_Weight	290.11542367
79316	Total_Formal_Charge	0
22805729	Molecular_Weight	464.5
6518	XLogP3-AA	1.4
80642	Undefined_Atom_Stereo_Count	0
69333796	Isotope_Atom_Count	0
17963334	Molecular_Weight	526.5
59283	Defined_Atom_Stereo_Count	0
143392159	Mono_Isotopic_Weight	112.052429494
126479882	Hydrogen_Bond_Donor_Count	9
18338549	Hydrogen_Bond_Acceptor_Count	2
28500	Total_Formal_Charge	0
12305986	XLogP3-AA	1.1
670	Defined_Atom_Stereo_Count	0
72929	Undefined_Atom_Stereo_Count	0
57521	Defined_Atom_Stereo_Count	0
4595	Rotatable_Bond_Count	2
24815904	Rotatable_Bond_Count	5
71449750	Isotope_Atom_Count	0
882533	Undefined_Bond_Stereo_Count	0
6328657	Isotope_Atom_Count	0
35378	Covalent_Unit_Count	1
2447	TPSA	72.2
20912	Mono_Isotopic_Weight	81.057849228
650960	Non-hydrogen_Atom_Count	34
12877	Undefined_Atom_Stereo_Count	0
14795102	TPSA	40.5
6722	Total_Formal_Charge	0
10219398	Structure_Complexity	160
70821	Structure_Complexity	219
9904	Molecular_Weight	274.4
451239	Undefined_Bond_Stereo_Count	0
131709156	Covalent_Unit_Count	5
9848869	TPSA	143
7267	XLogP3	2.3
60196284	Exact_Mass	451.3217074
22612	Hydrogen_Bond_Donor_Count	2
3085156	Exact_Mass	226.11398438
82362	Hydrogen_Bond_Acceptor_Count	13
7729	Hydrogen_Bond_Donor_Count	1
5281576	Tautomer_Count	111
24191118	Total_Formal_Charge	0
20064163	TPSA	46.2
65115	Molecular_Weight	301.25
123725105	Exact_Mass	115.063328530
22753607	Rotatable_Bond_Count	1
6950337	Rotatable_Bond_Count	2
49853967	Structure_Complexity	617
123942782	Hydrogen_Bond_Acceptor_Count	2
439811	Defined_Atom_Stereo_Count	0
77794	Undefined_Atom_Stereo_Count	0
163326	Defined_Bond_Stereo_Count	0
41037	Hydrogen_Bond_Donor_Count	3
138059664	Molecular_Weight	1467.5
406167	Defined_Atom_Stereo_Count	0
4306558	Rotatable_Bond_Count	9
24848413	Defined_Atom_Stereo_Count	0
6950274	Defined_Bond_Stereo_Count	0
1890	XLogP3-AA	2.5
77662	Isotope_Atom_Count	0
3000241	Defined_Bond_Stereo_Count	0
20680013	Defined_Atom_Stereo_Count	0
146395	Mono_Isotopic_Weight	504.1946483
144292366	Hydrogen_Bond_Acceptor_Count	1
45484175	Structure_Complexity	638
66965363	Tautomer_Count	53
126968545	Structure_Complexity	609
57131946	Undefined_Bond_Stereo_Count	3
154809859	Undefined_Bond_Stereo_Count	1
5283305	Mono_Isotopic_Weight	240.245315640
954444	Molecular_Weight	292.2
36209	Total_Formal_Charge	1
20298886	Covalent_Unit_Count	1
668531	Non-hydrogen_Atom_Count	19
15806	Covalent_Unit_Count	1
6852167	TPSA	145
23199087	Mono_Isotopic_Weight	92.037448136
92879	Rotatable_Bond_Count	6
135398501	Exact_Mass	551.24335857
57674785	XLogP3-AA	1.7
8642	Mono_Isotopic_Weight	326.03153051
7358	TPSA	20.2
7032	Defined_Bond_Stereo_Count	0
11206	Undefined_Atom_Stereo_Count	0
23571381	Undefined_Bond_Stereo_Count	0
158536	Defined_Atom_Stereo_Count	0
123457	Hydrogen_Bond_Acceptor_Count	1
42790	Covalent_Unit_Count	3
11282394	Hydrogen_Bond_Acceptor_Count	11
88365	Hydrogen_Bond_Donor_Count	0
8425	Undefined_Bond_Stereo_Count	0
341876	TPSA	41.6
3166	Defined_Atom_Stereo_Count	0
129629061	Hydrogen_Bond_Donor_Count	0
27375	Exact_Mass	212.0716407
16211656	Mono_Isotopic_Weight	235.9804853
446201	Undefined_Atom_Stereo_Count	0
9883104	Structure_Complexity	270
6441082	Undefined_Atom_Stereo_Count	0
165574	Defined_Atom_Stereo_Count	0
21911205	Undefined_Atom_Stereo_Count	1
16719	Covalent_Unit_Count	1
68009554	Hydrogen_Bond_Donor_Count	8
57406720	TPSA	71.6
5591	Hydrogen_Bond_Donor_Count	2
14324660	Defined_Atom_Stereo_Count	0
134826479	Undefined_Atom_Stereo_Count	0
11319223	Isotope_Atom_Count	0
40510	Tautomer_Count	1
14415253	Rotatable_Bond_Count	1
16399850	Hydrogen_Bond_Donor_Count	1
40473182	Structure_Complexity	179
131668620	Undefined_Bond_Stereo_Count	5
5530	Exact_Mass	133.089149355
69016240	Undefined_Atom_Stereo_Count	0
34695	Exact_Mass	106.078250319
21058	Mono_Isotopic_Weight	309.993027
7851	Hydrogen_Bond_Acceptor_Count	1
5365543	Tautomer_Count	1
35384	Structure_Complexity	411
43806	Hydrogen_Bond_Donor_Count	2
449242	Mono_Isotopic_Weight	360.07225250
5280492	Hydrogen_Bond_Donor_Count	3
71691	Exact_Mass	408.384154838
6204	Hydrogen_Bond_Donor_Count	0
126704391	Molecular_Weight	180.16
20485906	Undefined_Bond_Stereo_Count	0
6444834	Undefined_Atom_Stereo_Count	1
17118	Covalent_Unit_Count	2
38350	Isotope_Atom_Count	0
2779024	Molecular_Weight	126.03
24290	Undefined_Atom_Stereo_Count	0
123373475	Undefined_Bond_Stereo_Count	0
53993017	Defined_Bond_Stereo_Count	0
158524	XLogP3-AA	6
214397	Isotope_Atom_Count	0
445678	Molecular_Weight	148.20
163714395	Defined_Bond_Stereo_Count	0
123639879	Structure_Complexity	58.7
2846	Non-hydrogen_Atom_Count	48
73292	Covalent_Unit_Count	2
53346491	Hydrogen_Bond_Acceptor_Count	4
85505	Exact_Mass	184.9879707
23916	Non-hydrogen_Atom_Count	10
70662473	Defined_Atom_Stereo_Count	1
89723675	TPSA	76.5
9852904	Molecular_Weight	678.6
5770	Hydrogen_Bond_Donor_Count	1
170563	Molecular_Weight	460.7
453	Isotope_Atom_Count	0
59603622	Structure_Complexity	481
72378	Isotope_Atom_Count	0
3032576	Non-hydrogen_Atom_Count	24
21685	Molecular_Weight	206.32
90487871	Molecular_Weight	111.14
44119980	XLogP3-AA	7.5
19385	Defined_Atom_Stereo_Count	0
409347	Non-hydrogen_Atom_Count	20
19736124	Defined_Atom_Stereo_Count	0
77996	Total_Formal_Charge	0
28871	Isotope_Atom_Count	0
71267	Mono_Isotopic_Weight	260.188863393
19707	Total_Formal_Charge	0
25133631	Mono_Isotopic_Weight	380.16485409
65768	Undefined_Bond_Stereo_Count	0
839580	Structure_Complexity	431
127894	Total_Formal_Charge	0
83966	Mono_Isotopic_Weight	331.10558726
21365956	Covalent_Unit_Count	1
86018330	Rotatable_Bond_Count	2
54303301	Exact_Mass	96.093900383
13396	Molecular_Weight	118.14
23338788	Molecular_Weight	100.12
39799	Mono_Isotopic_Weight	483.779990
5311000	Undefined_Atom_Stereo_Count	0
10048368	Undefined_Bond_Stereo_Count	0
71571522	Total_Formal_Charge	0
9865929	Hydrogen_Bond_Donor_Count	2
118177912	Hydrogen_Bond_Acceptor_Count	1
81920	Non-hydrogen_Atom_Count	13
68552	Isotope_Atom_Count	0
69095	Structure_Complexity	363
2776	Hydrogen_Bond_Acceptor_Count	4
25132069	Rotatable_Bond_Count	5
89770232	Non-hydrogen_Atom_Count	23
154518370	Covalent_Unit_Count	1
67528035	Structure_Complexity	52
448372	Covalent_Unit_Count	1
135414248	Defined_Atom_Stereo_Count	0
5017	Undefined_Bond_Stereo_Count	0
91069096	Covalent_Unit_Count	1
40475911	Defined_Atom_Stereo_Count	1
24871267	Rotatable_Bond_Count	8
138971	Hydrogen_Bond_Acceptor_Count	0
9849425	Hydrogen_Bond_Donor_Count	6
66095	Exact_Mass	180.115029749
142834	Exact_Mass	94.078250319
273032	Hydrogen_Bond_Acceptor_Count	4
1553	Undefined_Bond_Stereo_Count	0
247839	Hydrogen_Bond_Donor_Count	1
3843	Mono_Isotopic_Weight	495.17942091
9765	Exact_Mass	182.01064
93114	Hydrogen_Bond_Donor_Count	2
6742	Defined_Atom_Stereo_Count	9
16136912	Structure_Complexity	3700
5353370	Hydrogen_Bond_Donor_Count	1
28674	Exact_Mass	99.043261792
143339316	Mono_Isotopic_Weight	108.093900383
130779	Rotatable_Bond_Count	2
131632500	Covalent_Unit_Count	1
441476	Molecular_Weight	194.14
12001831	Isotope_Atom_Count	0
18530	Non-hydrogen_Atom_Count	7
453131	Rotatable_Bond_Count	3
246724	Isotope_Atom_Count	0
159199	Undefined_Bond_Stereo_Count	0
86761	Covalent_Unit_Count	1
493949	Mono_Isotopic_Weight	201.98883880
19366304	Defined_Atom_Stereo_Count	0
821	XLogP3-AA	21.6
5288149	Undefined_Atom_Stereo_Count	0
12008703	Undefined_Atom_Stereo_Count	0
143686076	Molecular_Weight	97.16
68120	Rotatable_Bond_Count	1
444266	Rotatable_Bond_Count	2
14925	Molecular_Weight	176.12
62130	Tautomer_Count	1
71322980	Exact_Mass	116.083729621
17380	Undefined_Atom_Stereo_Count	2
38359009	Covalent_Unit_Count	1
417452	Molecular_Weight	823.0
35823	Covalent_Unit_Count	1
74170	Defined_Bond_Stereo_Count	0
79811	Undefined_Bond_Stereo_Count	0
37207	Undefined_Atom_Stereo_Count	0
46193082	Total_Formal_Charge	0
22450938	Non-hydrogen_Atom_Count	12
11832956	Rotatable_Bond_Count	0
60160561	Undefined_Bond_Stereo_Count	0
76140	XLogP3-AA	10.4
71738	Defined_Bond_Stereo_Count	0
73648	Non-hydrogen_Atom_Count	28
102004403	Hydrogen_Bond_Donor_Count	11
76957520	Hydrogen_Bond_Donor_Count	3
5057599	Exact_Mass	629.06750493
70696694	Isotope_Atom_Count	0
6328534	Non-hydrogen_Atom_Count	60
23170707	Mono_Isotopic_Weight	112.125200510
59073	Hydrogen_Bond_Acceptor_Count	3
18048	Total_Formal_Charge	0
3442	Defined_Atom_Stereo_Count	0
5459211	Total_Formal_Charge	0
25945	Defined_Bond_Stereo_Count	0
34725	Hydrogen_Bond_Donor_Count	2
68891	Molecular_Weight	409.7
44353367	Defined_Atom_Stereo_Count	0
6918509	Undefined_Bond_Stereo_Count	0
22084	Hydrogen_Bond_Donor_Count	0
86	Non-hydrogen_Atom_Count	11
5378630	Undefined_Bond_Stereo_Count	0
9979	Defined_Atom_Stereo_Count	0
86691500	TPSA	47.6
91016264	Structure_Complexity	173
62719	Mono_Isotopic_Weight	218.13382109
11569967	Structure_Complexity	730
442	TPSA	182
5353439	Defined_Atom_Stereo_Count	0
1706	Exact_Mass	178.121846464
54368096	Mono_Isotopic_Weight	100.088815002
30295	Rotatable_Bond_Count	9
5282455	Rotatable_Bond_Count	18
54686843	Total_Formal_Charge	0
135524781	Defined_Atom_Stereo_Count	0
6453	Rotatable_Bond_Count	6
2016	Undefined_Bond_Stereo_Count	0
15595455	Rotatable_Bond_Count	0
10621272	Hydrogen_Bond_Donor_Count	4
11725479	Defined_Atom_Stereo_Count	0
80125	Covalent_Unit_Count	1
12270430	Hydrogen_Bond_Donor_Count	0
158782	Rotatable_Bond_Count	26
59907918	Molecular_Weight	342.30
6358	Undefined_Bond_Stereo_Count	0
67058	Covalent_Unit_Count	1
121326433	Hydrogen_Bond_Donor_Count	0
824060	Exact_Mass	267.06194637
33196	Non-hydrogen_Atom_Count	22
281459	Hydrogen_Bond_Acceptor_Count	2
59390227	Mono_Isotopic_Weight	463.22485769
60006708	TPSA	21.6
59991562	Non-hydrogen_Atom_Count	8
22103887	Rotatable_Bond_Count	2
6957647	Defined_Atom_Stereo_Count	0
71517699	Exact_Mass	491.0917843
854019	Molecular_Weight	176.21
801066	XLogP3-AA	3.6
21549213	Mono_Isotopic_Weight	102.068079557
14135407	XLogP3-AA	1.4
92246	Isotope_Atom_Count	0
23701721	Undefined_Atom_Stereo_Count	0
77507	Non-hydrogen_Atom_Count	15
31515	Molecular_Weight	293.08
577543	Total_Formal_Charge	0
12232989	Exact_Mass	97.089149355
136115428	Molecular_Weight	111.11
15587	Covalent_Unit_Count	2
5479529	Structure_Complexity	798
7065	Structure_Complexity	298
19830271	Hydrogen_Bond_Acceptor_Count	1
3045401	XLogP3-AA	2.8
339496	Mono_Isotopic_Weight	279.92326
89164217	Undefined_Atom_Stereo_Count	0
71457147	Hydrogen_Bond_Donor_Count	1
2724039	Isotope_Atom_Count	0
19979685	Exact_Mass	112.063662883
6328534	Isotope_Atom_Count	0
41463	Molecular_Weight	378.9
88100859	Hydrogen_Bond_Acceptor_Count	5
6371716	Defined_Bond_Stereo_Count	3
8233	Molecular_Weight	733.9
23680530	Hydrogen_Bond_Donor_Count	2
123455	Undefined_Bond_Stereo_Count	0
16129710	Hydrogen_Bond_Donor_Count	24
16073662	Undefined_Atom_Stereo_Count	0
1899	Isotope_Atom_Count	0
192160	Mono_Isotopic_Weight	342.21949481
11815279	Isotope_Atom_Count	0
1130	Undefined_Atom_Stereo_Count	0
14523561	Rotatable_Bond_Count	9
26462	Isotope_Atom_Count	0
30771	XLogP3-AA	3.2
121733	Rotatable_Bond_Count	3
4048	Defined_Bond_Stereo_Count	0
135926580	Covalent_Unit_Count	1
60196437	Exact_Mass	376.13469677
6258	Isotope_Atom_Count	0
90725416	Exact_Mass	904.44565070
69571381	Defined_Atom_Stereo_Count	0
9811493	Undefined_Atom_Stereo_Count	1
70248	Exact_Mass	148.121177757
23305305	Undefined_Atom_Stereo_Count	0
46884664	Hydrogen_Bond_Acceptor_Count	7
134826704	Defined_Bond_Stereo_Count	0
13507601	Hydrogen_Bond_Donor_Count	1
114129	Rotatable_Bond_Count	4
15457	Isotope_Atom_Count	0
3611392	Defined_Atom_Stereo_Count	0
63093	XLogP3	6.8
5284350	Isotope_Atom_Count	0
117965	Rotatable_Bond_Count	5
16404350	Molecular_Weight	1202.6
40473193	TPSA	147
12519787	Undefined_Bond_Stereo_Count	0
71377454	Rotatable_Bond_Count	1
24229456	Rotatable_Bond_Count	0
26762	Molecular_Weight	229.32
476	Exact_Mass	228.03988975
71887	Hydrogen_Bond_Acceptor_Count	6
5209985	Rotatable_Bond_Count	4
66503	Hydrogen_Bond_Donor_Count	2
11007859	Undefined_Atom_Stereo_Count	0
11083834	Undefined_Bond_Stereo_Count	0
192925	Rotatable_Bond_Count	1
87322	Hydrogen_Bond_Acceptor_Count	6
15174590	Undefined_Bond_Stereo_Count	0
176453	Structure_Complexity	219
5277135	Hydrogen_Bond_Donor_Count	2
155465	Structure_Complexity	160
65531	Structure_Complexity	126
29809	Defined_Bond_Stereo_Count	0
6015	Undefined_Atom_Stereo_Count	1
21987892	Structure_Complexity	144
60813	Undefined_Bond_Stereo_Count	0
59034276	Exact_Mass	180.06338810
59064	Undefined_Bond_Stereo_Count	0
168379	Rotatable_Bond_Count	6
727	Structure_Complexity	104
129860157	Exact_Mass	95.073499291
18139	Molecular_Weight	226.27
5059	TPSA	42.4
4313918	Isotope_Atom_Count	0
21972427	Hydrogen_Bond_Acceptor_Count	2
5857	Undefined_Bond_Stereo_Count	0
5491295	Hydrogen_Bond_Donor_Count	3
32122	Rotatable_Bond_Count	8
538	Total_Formal_Charge	0
58223444	Hydrogen_Bond_Acceptor_Count	2
54688693	Covalent_Unit_Count	1
3008895	Hydrogen_Bond_Acceptor_Count	20
98172	Defined_Atom_Stereo_Count	0
18669444	Covalent_Unit_Count	1
77971	Covalent_Unit_Count	1
70696864	Undefined_Bond_Stereo_Count	0
56283	Molecular_Weight	269.21
73423	Hydrogen_Bond_Donor_Count	2
15037	Molecular_Weight	147.17
12223113	Defined_Bond_Stereo_Count	0
183809	Rotatable_Bond_Count	4
445501	Defined_Atom_Stereo_Count	1
20255128	Undefined_Bond_Stereo_Count	0
82740	Isotope_Atom_Count	0
5248373	Covalent_Unit_Count	1
72032	Undefined_Bond_Stereo_Count	0
102063093	Defined_Bond_Stereo_Count	0
135413496	Undefined_Atom_Stereo_Count	0
76971016	Rotatable_Bond_Count	6
19835	Mono_Isotopic_Weight	160.146329876
209257	XLogP3-AA	0.4
72884	TPSA	58.2
53838967	Undefined_Atom_Stereo_Count	0
5289394	Rotatable_Bond_Count	11
71457270	Mono_Isotopic_Weight	553.2343490
456	Undefined_Atom_Stereo_Count	0
10275777	Rotatable_Bond_Count	7
15528723	Undefined_Bond_Stereo_Count	0
10002668	Structure_Complexity	741
14233	Rotatable_Bond_Count	1
51253	Undefined_Bond_Stereo_Count	0
96135	Isotope_Atom_Count	0
564654	Defined_Bond_Stereo_Count	0
7386	Rotatable_Bond_Count	0
72200037	Covalent_Unit_Count	1
123867984	TPSA	9.2
762788	Undefined_Bond_Stereo_Count	0
101800463	TPSA	19
779	Covalent_Unit_Count	1
860695	Structure_Complexity	447
12695916	TPSA	17.1
11547499	TPSA	132
1550846	Mono_Isotopic_Weight	129.057849228
9797798	TPSA	101
8573	Non-hydrogen_Atom_Count	18
71184	Total_Formal_Charge	0
7546	Exact_Mass	185.084063974
69408	Tautomer_Count	1
11629084	Structure_Complexity	1290
58270057	Total_Formal_Charge	0
46853873	Non-hydrogen_Atom_Count	93
11346	Non-hydrogen_Atom_Count	12
33176	TPSA	68.5
22631092	Undefined_Bond_Stereo_Count	0
250716	TPSA	105
11974019	Defined_Bond_Stereo_Count	0
87367	Undefined_Atom_Stereo_Count	0
6432095	Total_Formal_Charge	0
141343693	Mono_Isotopic_Weight	113.084063974
72187524	Undefined_Bond_Stereo_Count	0
6451155	Covalent_Unit_Count	1
2079	Total_Formal_Charge	0
5798	Rotatable_Bond_Count	0
519963	Undefined_Bond_Stereo_Count	0
86278352	Defined_Atom_Stereo_Count	1
42768	Molecular_Weight	520.6
85538179	Hydrogen_Bond_Acceptor_Count	3
153442	Mono_Isotopic_Weight	275.9721158
143694905	Defined_Atom_Stereo_Count	0
11571906	Hydrogen_Bond_Donor_Count	5
15590756	Rotatable_Bond_Count	0
58265178	Isotope_Atom_Count	0
225147	Exact_Mass	116.083729621
137747	Exact_Mass	52.0313001276
79960033	Undefined_Atom_Stereo_Count	1
9897412	Molecular_Weight	843.1
2331	XLogP3	0.6
74735	Hydrogen_Bond_Donor_Count	0
257761	Hydrogen_Bond_Acceptor_Count	7
6257	Covalent_Unit_Count	1
135404289	Hydrogen_Bond_Donor_Count	2
15001198	Exact_Mass	235.84260
67180	Molecular_Weight	73.09
6335436	Undefined_Atom_Stereo_Count	0
520352	XLogP3	1.3
71449989	Defined_Bond_Stereo_Count	0
21327	Tautomer_Count	1
796414	Molecular_Weight	276.37
827453	Exact_Mass	324.0083890
13180929	Exact_Mass	108.068748264
29837	Structure_Complexity	46.8
135564847	Rotatable_Bond_Count	24
137530132	Hydrogen_Bond_Acceptor_Count	5
533840	Covalent_Unit_Count	1
3073763	TPSA	24.9
23663953	TPSA	97.9
12628168	Structure_Complexity	118
9535	Defined_Bond_Stereo_Count	0
14740383	Structure_Complexity	78.2
17963208	Non-hydrogen_Atom_Count	34
6433198	Molecular_Weight	830.3
143061	Defined_Atom_Stereo_Count	0
5335	Exact_Mass	314.08374688
4346	Rotatable_Bond_Count	10
69610	Structure_Complexity	64
19867655	Defined_Atom_Stereo_Count	0
54587596	Rotatable_Bond_Count	9
44620953	Defined_Atom_Stereo_Count	20
8048	Hydrogen_Bond_Donor_Count	0
10401	TPSA	26.3
1549026	Rotatable_Bond_Count	6
9841854	Covalent_Unit_Count	1
544638	Total_Formal_Charge	0
18520896	Molecular_Weight	124.10
15590756	Mono_Isotopic_Weight	94.016712692
624748	Rotatable_Bond_Count	0
14707	Rotatable_Bond_Count	3
14010333	Non-hydrogen_Atom_Count	23
6992563	Exact_Mass	287.19573968
240	Undefined_Bond_Stereo_Count	0
14816327	TPSA	21.6
10618	Tautomer_Count	1
12196071	Undefined_Bond_Stereo_Count	0
12635750	Isotope_Atom_Count	0
76973294	Undefined_Atom_Stereo_Count	6
89580	Structure_Complexity	34.5
86388	Exact_Mass	335.15214353
11138	XLogP3-AA	0.5
154526012	TPSA	26.3
11715	Defined_Atom_Stereo_Count	0
7571	Rotatable_Bond_Count	4
10844548	Non-hydrogen_Atom_Count	8
7200	Isotope_Atom_Count	0
5289531	Defined_Atom_Stereo_Count	1
285118	Hydrogen_Bond_Donor_Count	0
53846420	XLogP3-AA	5.1
11681588	Total_Formal_Charge	0
31263	Rotatable_Bond_Count	4
443391	Undefined_Atom_Stereo_Count	0
5177120	Molecular_Weight	115.11
368	Hydrogen_Bond_Donor_Count	3
6347	Isotope_Atom_Count	0
16070039	Non-hydrogen_Atom_Count	29
1379	Total_Formal_Charge	0
6993773	Rotatable_Bond_Count	2
9047	Structure_Complexity	376
24181110	Tautomer_Count	2
108147	Non-hydrogen_Atom_Count	59
14246795	Structure_Complexity	124
21493122	Covalent_Unit_Count	1
520744	Defined_Atom_Stereo_Count	0
78808	XLogP3-AA	1.7
249006	Hydrogen_Bond_Donor_Count	2
5375785	Hydrogen_Bond_Donor_Count	0
21336123	Covalent_Unit_Count	1
6618895	Undefined_Bond_Stereo_Count	0
17693	Defined_Atom_Stereo_Count	0
135398638	Undefined_Bond_Stereo_Count	0
4363	Isotope_Atom_Count	0
99025	XLogP3-AA	2.9
3242895	Exact_Mass	374.22055744
10384259	Defined_Atom_Stereo_Count	0
135411	Mono_Isotopic_Weight	398.18819469
517044	Tautomer_Count	1
573598	Total_Formal_Charge	0
17806	Defined_Bond_Stereo_Count	0
6652	TPSA	17.1
55253668	Undefined_Atom_Stereo_Count	0
449369	Hydrogen_Bond_Donor_Count	2
9846875	Exact_Mass	456.19435995
71587201	Undefined_Bond_Stereo_Count	0
439456	Hydrogen_Bond_Donor_Count	9
136873	Covalent_Unit_Count	1
9855476	Defined_Atom_Stereo_Count	0
62240	XLogP3-AA	4.1
21359608	Hydrogen_Bond_Acceptor_Count	3
15686	Exact_Mass	358.25079494
60209624	Defined_Atom_Stereo_Count	0
33539	TPSA	96.2
57515953	Exact_Mass	460.108726
2655	XLogP3	0
24858870	XLogP3-AA	3.7
5288319	Total_Formal_Charge	0
155346	Exact_Mass	287.16337692
93055	Rotatable_Bond_Count	6
514067	Non-hydrogen_Atom_Count	24
15431	Hydrogen_Bond_Donor_Count	0
42291	Undefined_Bond_Stereo_Count	0
475825	Defined_Atom_Stereo_Count	3
600269	Undefined_Atom_Stereo_Count	0
79834	Defined_Atom_Stereo_Count	0
5227	Defined_Bond_Stereo_Count	0
131704233	Exact_Mass	263.129694
4092621	XLogP3-AA	2.2
12201381	Mono_Isotopic_Weight	99.043261792
23521244	Hydrogen_Bond_Acceptor_Count	0
5288631	XLogP3-AA	4.9
3392178	Hydrogen_Bond_Acceptor_Count	1
16219471	Non-hydrogen_Atom_Count	22
7055551	XLogP3-AA	2.9
135544356	Hydrogen_Bond_Acceptor_Count	16
13799	Undefined_Bond_Stereo_Count	0
6915835	Tautomer_Count	1
609492	TPSA	12.9
20548464	Undefined_Atom_Stereo_Count	0
62530	Mono_Isotopic_Weight	206.167065321
963389	Defined_Atom_Stereo_Count	0
58501	Undefined_Atom_Stereo_Count	0
8176	Isotope_Atom_Count	0
105037	Tautomer_Count	1
5357258	Hydrogen_Bond_Acceptor_Count	0
7895	XLogP3	0.9
304265	Structure_Complexity	92.5
160647	Rotatable_Bond_Count	8
11656518	Rotatable_Bond_Count	5
130232326	Molecular_Weight	554.5
10295295	Tautomer_Count	1
102594	Hydrogen_Bond_Donor_Count	1
22264	Non-hydrogen_Atom_Count	27
20472522	Undefined_Atom_Stereo_Count	2
135436520	Defined_Atom_Stereo_Count	0
802	Isotope_Atom_Count	0
208	Undefined_Atom_Stereo_Count	5
12766	Hydrogen_Bond_Donor_Count	1
3848	Rotatable_Bond_Count	3
2244	Exact_Mass	180.04225873
82730	Rotatable_Bond_Count	3
16004722	Isotope_Atom_Count	0
447626	Defined_Bond_Stereo_Count	0
13393280	Covalent_Unit_Count	1
21889252	Defined_Bond_Stereo_Count	0
9574962	Non-hydrogen_Atom_Count	27
39223	Exact_Mass	313.0416773
971	Molecular_Weight	90.03
824784	Total_Formal_Charge	0
5702161	TPSA	93
4136526	Exact_Mass	286.09701070
534439	Exact_Mass	114.104465066
5280604	Defined_Bond_Stereo_Count	10
135398634	Hydrogen_Bond_Donor_Count	3
26117	Molecular_Weight	176.17
134694073	Rotatable_Bond_Count	10
60196379	TPSA	94.8
98181815	Hydrogen_Bond_Donor_Count	1
3034372	Structure_Complexity	106
12625720	Undefined_Atom_Stereo_Count	2
23704140	Structure_Complexity	880
8032	Undefined_Bond_Stereo_Count	0
4339626	Total_Formal_Charge	0
70040	Molecular_Weight	212.29
54961	Hydrogen_Bond_Donor_Count	0
782	Undefined_Atom_Stereo_Count	1
66487	Tautomer_Count	30
65272	Undefined_Atom_Stereo_Count	1
9793926	Structure_Complexity	151
12735	Undefined_Bond_Stereo_Count	0
444360	Defined_Atom_Stereo_Count	1
12487834	TPSA	40.9
124080868	Total_Formal_Charge	0
20006	Covalent_Unit_Count	1
77801	Defined_Bond_Stereo_Count	0
136041721	Hydrogen_Bond_Donor_Count	4
145994598	Covalent_Unit_Count	1
78225435	Isotope_Atom_Count	0
81867	Isotope_Atom_Count	0
70694228	Undefined_Bond_Stereo_Count	0
26979	Mono_Isotopic_Weight	85.97330797
13005	Structure_Complexity	122
134812477	Non-hydrogen_Atom_Count	46
6673	TPSA	25.1
10586	Hydrogen_Bond_Donor_Count	1
61251	TPSA	38.3
81846	Structure_Complexity	464
149514	Total_Formal_Charge	0
100969894	Exact_Mass	116.083729621
5318591	Defined_Atom_Stereo_Count	5
123979022	Isotope_Atom_Count	0
30921	Undefined_Atom_Stereo_Count	1
14913584	TPSA	47.6
17705	Covalent_Unit_Count	1
2455	Molecular_Weight	421.3
107805	Undefined_Atom_Stereo_Count	0
77048	Isotope_Atom_Count	0
11627212	XLogP3-AA	9.4
11124	Structure_Complexity	49.5
94215	Hydrogen_Bond_Donor_Count	2
22022770	Undefined_Atom_Stereo_Count	1
119182	Mono_Isotopic_Weight	303.0534451
1312	Defined_Bond_Stereo_Count	0
18980946	Exact_Mass	113.084063974
3624	Isotope_Atom_Count	0
16932	Undefined_Atom_Stereo_Count	0
40391	Mono_Isotopic_Weight	308.0716407
17912	Non-hydrogen_Atom_Count	21
11105314	Hydrogen_Bond_Acceptor_Count	2
21786118	Covalent_Unit_Count	1
3083020	Rotatable_Bond_Count	0
23540330	Hydrogen_Bond_Donor_Count	1
17756	Molecular_Weight	104.15
16541	Hydrogen_Bond_Donor_Count	0
138991760	Rotatable_Bond_Count	9
1412	TPSA	77.8
10429215	Defined_Bond_Stereo_Count	0
5284557	Hydrogen_Bond_Acceptor_Count	2
11017510	TPSA	36.9
25008940	Non-hydrogen_Atom_Count	36
54760314	Rotatable_Bond_Count	3
9548720	Covalent_Unit_Count	1
32283	Hydrogen_Bond_Donor_Count	2
11670	XLogP3-AA	1.5
86132	Mono_Isotopic_Weight	291.1138399
18745	Molecular_Weight	136.19
57395978	Undefined_Atom_Stereo_Count	1
3093785	Covalent_Unit_Count	1
8923919	Defined_Bond_Stereo_Count	0
8102	Undefined_Atom_Stereo_Count	0
5282363	Undefined_Atom_Stereo_Count	0
443943	Non-hydrogen_Atom_Count	31
81151	Exact_Mass	89.047678466
4030	Rotatable_Bond_Count	4
5546	TPSA	130
94418	Isotope_Atom_Count	0
16204922	Defined_Atom_Stereo_Count	0
15093812	Undefined_Bond_Stereo_Count	0
7460	Tautomer_Count	1
219357	Undefined_Bond_Stereo_Count	0
58604354	Undefined_Atom_Stereo_Count	2
20549002	Undefined_Bond_Stereo_Count	0
4846	Mono_Isotopic_Weight	308.04332136
3251	Hydrogen_Bond_Acceptor_Count	6
80618	Isotope_Atom_Count	0
447153	TPSA	20.2
99564	Defined_Bond_Stereo_Count	0
101630689	Defined_Bond_Stereo_Count	0
66	Undefined_Atom_Stereo_Count	0
994360	Undefined_Bond_Stereo_Count	0
123492457	Hydrogen_Bond_Acceptor_Count	0
78738	Hydrogen_Bond_Acceptor_Count	3
62275	Isotope_Atom_Count	0
79814	Covalent_Unit_Count	1
87505	Total_Formal_Charge	1
416	Exact_Mass	368.12196560
160718893	Non-hydrogen_Atom_Count	8
14	Isotope_Atom_Count	0
12699161	Hydrogen_Bond_Acceptor_Count	1
22065792	Defined_Bond_Stereo_Count	0
91895934	Hydrogen_Bond_Donor_Count	5
13218140	Defined_Atom_Stereo_Count	0
53465	Tautomer_Count	1
19595920	Rotatable_Bond_Count	0
4707	Undefined_Bond_Stereo_Count	0
81476	Undefined_Atom_Stereo_Count	0
17730	Undefined_Bond_Stereo_Count	0
455	Undefined_Bond_Stereo_Count	0
69684	Exact_Mass	142.110613074
15881135	Covalent_Unit_Count	1
90243427	Hydrogen_Bond_Acceptor_Count	2
40467053	Rotatable_Bond_Count	2
4630913	Structure_Complexity	542
8659	TPSA	55
67210	Mono_Isotopic_Weight	298.02258592
445480	Non-hydrogen_Atom_Count	31
5748434	TPSA	358
13334303	Non-hydrogen_Atom_Count	8
57398166	Undefined_Bond_Stereo_Count	0
180288	Isotope_Atom_Count	0
61230	Defined_Atom_Stereo_Count	0
102102069	Exact_Mass	577.80232
4714721	Mono_Isotopic_Weight	112.052429494
5769	TPSA	45.6
71141	Non-hydrogen_Atom_Count	33
67412	Non-hydrogen_Atom_Count	10
158980	Hydrogen_Bond_Acceptor_Count	5
45	Hydrogen_Bond_Donor_Count	3
680502	Non-hydrogen_Atom_Count	25
123314224	Undefined_Bond_Stereo_Count	0
3001055	Rotatable_Bond_Count	9
539077	Total_Formal_Charge	0
9796154	Mono_Isotopic_Weight	294.19434270
71359012	Hydrogen_Bond_Acceptor_Count	1
216416	Hydrogen_Bond_Acceptor_Count	3
73759973	Rotatable_Bond_Count	1
135413518	Non-hydrogen_Atom_Count	32
135487652	Isotope_Atom_Count	0
23667300	Undefined_Bond_Stereo_Count	0
86359	Molecular_Weight	320.0
12740771	Exact_Mass	78.0469501914
136451	Mono_Isotopic_Weight	159.125928785
2728270	Undefined_Atom_Stereo_Count	3
115763542	Undefined_Bond_Stereo_Count	0
12777	TPSA	26.3
21924633	TPSA	17.1
130122059	Total_Formal_Charge	0
135413538	Undefined_Atom_Stereo_Count	0
2955894	XLogP3-AA	3.6
13584912	Defined_Bond_Stereo_Count	0
10866282	Molecular_Weight	110.15
13199930	Structure_Complexity	181
11441554	Molecular_Weight	420.5
23664294	Structure_Complexity	290
41632	Non-hydrogen_Atom_Count	20
81459	Hydrogen_Bond_Acceptor_Count	1
23581796	Total_Formal_Charge	0
10176108	Non-hydrogen_Atom_Count	7
3062280	Rotatable_Bond_Count	8
46919879	Isotope_Atom_Count	0
44567678	Exact_Mass	1814.6085580
10311	Rotatable_Bond_Count	4
6048	Defined_Atom_Stereo_Count	0
12082259	Covalent_Unit_Count	1
79474	Rotatable_Bond_Count	1
60654	Defined_Bond_Stereo_Count	0
7022	Mono_Isotopic_Weight	239.02522894
58018940	Non-hydrogen_Atom_Count	8
5359327	Hydrogen_Bond_Donor_Count	0
637939	Molecular_Weight	98.14
53870064	Defined_Bond_Stereo_Count	0
35489	Mono_Isotopic_Weight	359.010743
25654	Exact_Mass	389.16991885
15567528	Mono_Isotopic_Weight	112.063662883
16854	Tautomer_Count	3
9818306	XLogP3	2.8
6433266	Exact_Mass	372.28757437
28563239	Molecular_Weight	99.13
131668624	XLogP3-AA	2.7
54289557	Mono_Isotopic_Weight	132.115029749
23677989	Hydrogen_Bond_Donor_Count	6
12270637	Total_Formal_Charge	0
5419	XLogP3-AA	1.8
57270176	Covalent_Unit_Count	1
61329	Total_Formal_Charge	0
16051933	Hydrogen_Bond_Acceptor_Count	15
140799438	Undefined_Atom_Stereo_Count	0
3362	Defined_Atom_Stereo_Count	0
10313118	Defined_Atom_Stereo_Count	0
22491624	Structure_Complexity	72.5
9983746	Exact_Mass	254.094294304
5859	Defined_Bond_Stereo_Count	0
342681	Undefined_Atom_Stereo_Count	0
448281	Structure_Complexity	527
21996	Undefined_Atom_Stereo_Count	1
6950578	Undefined_Bond_Stereo_Count	0
89576915	Structure_Complexity	120
56673689	Covalent_Unit_Count	1
10434	Undefined_Atom_Stereo_Count	0
16760374	TPSA	324
9883933	Total_Formal_Charge	0
66663660	Total_Formal_Charge	0
9854489	Defined_Atom_Stereo_Count	9
82528	Hydrogen_Bond_Donor_Count	0
9926832	Molecular_Weight	313.4
40839	Mono_Isotopic_Weight	753.41014911
476778	Defined_Atom_Stereo_Count	3
10039361	Exact_Mass	281.116426730
4591	Undefined_Atom_Stereo_Count	18
53856650	Total_Formal_Charge	0
17754007	Defined_Bond_Stereo_Count	0
9964081	Molecular_Weight	116.11
20226563	Defined_Atom_Stereo_Count	0
197059	Mono_Isotopic_Weight	346.1811912
314582	Defined_Atom_Stereo_Count	0
9821945	Structure_Complexity	532
21594228	Molecular_Weight	532.7
41022	Undefined_Atom_Stereo_Count	1
68027	Covalent_Unit_Count	1
28284151	Mono_Isotopic_Weight	477.1064684
7749	Exact_Mass	102.068079557
83970	Hydrogen_Bond_Acceptor_Count	12
54246209	Undefined_Bond_Stereo_Count	0
25117126	Mono_Isotopic_Weight	510.14094222
10857507	Rotatable_Bond_Count	3
87810	Total_Formal_Charge	0
19028568	Defined_Atom_Stereo_Count	0
57467561	TPSA	18.5
16119086	TPSA	32.3
119432	Defined_Bond_Stereo_Count	0
135398627	Defined_Atom_Stereo_Count	9
2115	Isotope_Atom_Count	0
950975	Undefined_Bond_Stereo_Count	1
73399	Total_Formal_Charge	0
85859507	Defined_Bond_Stereo_Count	0
63991	Hydrogen_Bond_Acceptor_Count	5
146681950	Defined_Atom_Stereo_Count	18
825784	Exact_Mass	248.04119
11655511	Non-hydrogen_Atom_Count	33
53903157	Molecular_Weight	42.040
441033	Covalent_Unit_Count	1
34005	Total_Formal_Charge	0
2733224	Non-hydrogen_Atom_Count	7
1574	TPSA	62
104838	Undefined_Atom_Stereo_Count	0
65689	Exact_Mass	424.20971797
19918	Exact_Mass	218.105527694
72200038	Isotope_Atom_Count	0
6101956	Hydrogen_Bond_Donor_Count	1
14025	Hydrogen_Bond_Donor_Count	0
165956322	Total_Formal_Charge	0
1443	Tautomer_Count	7
89164217	Hydrogen_Bond_Acceptor_Count	2
118994155	Defined_Atom_Stereo_Count	0
22924371	Rotatable_Bond_Count	0
44183569	Rotatable_Bond_Count	6
54757474	Defined_Atom_Stereo_Count	0
5370221	Rotatable_Bond_Count	5
3032536	Mono_Isotopic_Weight	128.870899
9623	Defined_Atom_Stereo_Count	0
5311101	Non-hydrogen_Atom_Count	30
69657541	Hydrogen_Bond_Donor_Count	0
58	Non-hydrogen_Atom_Count	7
3048356	TPSA	23.5
45278337	Total_Formal_Charge	0
52950127	Hydrogen_Bond_Donor_Count	1
446715	Undefined_Atom_Stereo_Count	0
5963	Defined_Atom_Stereo_Count	0
8682	Total_Formal_Charge	1
11600	Structure_Complexity	48.4
285118	Tautomer_Count	1
45117282	Isotope_Atom_Count	0
628447	XLogP3-AA	2.8
13973648	Exact_Mass	147.08954328
59939847	TPSA	49.3
5281078	Non-hydrogen_Atom_Count	31
5281437	Total_Formal_Charge	0
33286	Non-hydrogen_Atom_Count	10
117439	Hydrogen_Bond_Acceptor_Count	5
80455	Covalent_Unit_Count	1
1548886	Non-hydrogen_Atom_Count	25
3811100	Isotope_Atom_Count	0
675239	Undefined_Atom_Stereo_Count	0
42231	Non-hydrogen_Atom_Count	30
24408	Total_Formal_Charge	0
137699683	Non-hydrogen_Atom_Count	47
23690943	Tautomer_Count	6
140112497	Covalent_Unit_Count	1
18947655	Defined_Atom_Stereo_Count	0
90973	Molecular_Weight	328.9
46204763	Undefined_Atom_Stereo_Count	0
561096	Molecular_Weight	92.14
81432	XLogP3-AA	2.5
8254	XLogP3-AA	0.1
12960	Undefined_Atom_Stereo_Count	2
55298881	Mono_Isotopic_Weight	101.084063974
22875828	Exact_Mass	390.18425212
10130337	Hydrogen_Bond_Acceptor_Count	3
115205	Covalent_Unit_Count	1
185495	Hydrogen_Bond_Donor_Count	0
8361	Isotope_Atom_Count	0
101928367	Covalent_Unit_Count	1
18119	Exact_Mass	389.283098129
21464101	Defined_Bond_Stereo_Count	0
3082781	Rotatable_Bond_Count	3
5352435	Isotope_Atom_Count	0
25517	Total_Formal_Charge	0
12207123	Mono_Isotopic_Weight	71.073499291
45116668	Mono_Isotopic_Weight	110.048012819
8914	Covalent_Unit_Count	1
13057924	Rotatable_Bond_Count	0
73415830	Molecular_Weight	360.56
20508	Defined_Atom_Stereo_Count	0
21326740	Undefined_Atom_Stereo_Count	0
118435360	Structure_Complexity	676
54685047	Molecular_Weight	478.9
102239760	Structure_Complexity	1410
4566	Undefined_Bond_Stereo_Count	0
21474	Defined_Atom_Stereo_Count	0
11546350	Hydrogen_Bond_Acceptor_Count	4
1356	Hydrogen_Bond_Donor_Count	5
61141	Isotope_Atom_Count	0
482604	Exact_Mass	284.08575825
31362	Isotope_Atom_Count	0
2724259	Exact_Mass	1122.78526064
17833	Total_Formal_Charge	0
59450	Total_Formal_Charge	1
3560	Hydrogen_Bond_Acceptor_Count	9
135441757	Defined_Bond_Stereo_Count	0
222199	Structure_Complexity	208
104163	Hydrogen_Bond_Donor_Count	2
11539751	Covalent_Unit_Count	1
71454	Structure_Complexity	380
8461	Hydrogen_Bond_Donor_Count	0
961	Non-hydrogen_Atom_Count	1
28905	Total_Formal_Charge	0
3332	Covalent_Unit_Count	1
129864969	Structure_Complexity	620
3586	TPSA	70.1
123894108	Defined_Atom_Stereo_Count	0
837	Defined_Atom_Stereo_Count	0
59844561	Molecular_Weight	547.6
538333	Non-hydrogen_Atom_Count	8
8799	Hydrogen_Bond_Donor_Count	2
71148	Non-hydrogen_Atom_Count	28
100472	Structure_Complexity	343
3760923	Undefined_Atom_Stereo_Count	0
346327	Defined_Atom_Stereo_Count	0
6702	Undefined_Atom_Stereo_Count	0
2947	Rotatable_Bond_Count	0
5363095	Tautomer_Count	1
54280	TPSA	77.3
135564751	Structure_Complexity	737
52944411	Exact_Mass	387.11946125
54675850	Molecular_Weight	137.11
5516	XLogP3-AA	7.2
53240376	Molecular_Weight	725.7
448653	Defined_Bond_Stereo_Count	2
49107	Molecular_Weight	372.3
53448504	Defined_Atom_Stereo_Count	0
6168933	Hydrogen_Bond_Acceptor_Count	8
115080007	TPSA	59.2
57526	Defined_Bond_Stereo_Count	0
147614	TPSA	32.7
319701	Hydrogen_Bond_Acceptor_Count	5
19065710	Undefined_Atom_Stereo_Count	1
28280	Structure_Complexity	246
81971	Defined_Bond_Stereo_Count	0
7098663	Non-hydrogen_Atom_Count	12
15812317	Structure_Complexity	96.4
23284	Non-hydrogen_Atom_Count	20
118346510	Molecular_Weight	111.14
30049	Isotope_Atom_Count	0
71206	Defined_Atom_Stereo_Count	7
9962911	Hydrogen_Bond_Acceptor_Count	16
58806287	Undefined_Bond_Stereo_Count	0
11979704	Hydrogen_Bond_Donor_Count	0
8567	Tautomer_Count	1
9806615	TPSA	205
28950993	Total_Formal_Charge	0
23263244	Molecular_Weight	112.13
9919680	Exact_Mass	422.13789045
60745	Hydrogen_Bond_Donor_Count	0
72165228	Hydrogen_Bond_Acceptor_Count	8
145454	Structure_Complexity	381
22221739	Defined_Atom_Stereo_Count	0
20542700	Total_Formal_Charge	0
131801109	Structure_Complexity	1310
71905	Undefined_Atom_Stereo_Count	0
44366214	Exact_Mass	1034.55759593
446807	Defined_Bond_Stereo_Count	0
630355	TPSA	40.5
12962854	Rotatable_Bond_Count	4
13379958	TPSA	17.1
693165	Hydrogen_Bond_Acceptor_Count	3
68312	Total_Formal_Charge	0
4178	Covalent_Unit_Count	1
9808844	Isotope_Atom_Count	0
21828691	Rotatable_Bond_Count	1
56672298	Mono_Isotopic_Weight	405.12594604
34927	Undefined_Bond_Stereo_Count	0
16683028	Hydrogen_Bond_Acceptor_Count	7
69356	Defined_Bond_Stereo_Count	0
998	Isotope_Atom_Count	0
7537	Undefined_Bond_Stereo_Count	0
89904392	Hydrogen_Bond_Acceptor_Count	3
52950190	Defined_Bond_Stereo_Count	0
820051	XLogP3-AA	0.2
14982	Covalent_Unit_Count	1
87401	XLogP3-AA	3
5311181	Isotope_Atom_Count	0
184900	Total_Formal_Charge	0
2809	XLogP3	3.3
53728104	Undefined_Bond_Stereo_Count	0
18183696	Defined_Bond_Stereo_Count	0
6102852	Mono_Isotopic_Weight	605.13321
107992	Mono_Isotopic_Weight	198.0672241
14510872	Covalent_Unit_Count	1
27531	XLogP3-AA	2.1
5859	Structure_Complexity	418
134754219	Rotatable_Bond_Count	3
735940	Hydrogen_Bond_Donor_Count	0
9604653	Undefined_Atom_Stereo_Count	0
76771	Mono_Isotopic_Weight	217.97208420
9298	Non-hydrogen_Atom_Count	16
3881	Hydrogen_Bond_Acceptor_Count	4
9843750	TPSA	98.7
28610	Rotatable_Bond_Count	7
22859	Non-hydrogen_Atom_Count	32
24066	Non-hydrogen_Atom_Count	15
46835725	Exact_Mass	87.068413911
122449120	Hydrogen_Bond_Donor_Count	1
2832	Isotope_Atom_Count	0
69437	Isotope_Atom_Count	0
75747	Defined_Atom_Stereo_Count	0
7020	Defined_Atom_Stereo_Count	0
40463608	Molecular_Weight	115.13
13331108	Defined_Atom_Stereo_Count	0
107294	Exact_Mass	116.047344113
800463	Undefined_Atom_Stereo_Count	0
5244	Defined_Bond_Stereo_Count	0
2797779	Defined_Bond_Stereo_Count	0
84041	TPSA	41.6
59704271	Mono_Isotopic_Weight	1201.84136802
19070	Hydrogen_Bond_Donor_Count	3
21889252	Undefined_Atom_Stereo_Count	0
30781	Total_Formal_Charge	0
60196331	Exact_Mass	309.01312
96380	Non-hydrogen_Atom_Count	15
57397970	Mono_Isotopic_Weight	510.19706254
73934	Mono_Isotopic_Weight	115.02335542
123458	TPSA	35.2
105766824	Hydrogen_Bond_Acceptor_Count	1
154202106	Undefined_Bond_Stereo_Count	0
63991	Molecular_Weight	533.5
57394598	Structure_Complexity	705
13814	Non-hydrogen_Atom_Count	39
91758680	Defined_Bond_Stereo_Count	0
3149	Undefined_Atom_Stereo_Count	0
126981343	Defined_Bond_Stereo_Count	0
9833652	Total_Formal_Charge	0
292	Mono_Isotopic_Weight	565.07100571
22875828	Tautomer_Count	2
22253	Isotope_Atom_Count	0
102198498	Structure_Complexity	1560
98324	Non-hydrogen_Atom_Count	12
7321	Undefined_Bond_Stereo_Count	0
9400	Non-hydrogen_Atom_Count	32
56649463	Total_Formal_Charge	0
37993	TPSA	70
20139920	Defined_Atom_Stereo_Count	0
3017748	Tautomer_Count	1
68490	Covalent_Unit_Count	1
18004304	Mono_Isotopic_Weight	105.078978594
159384	Defined_Atom_Stereo_Count	0
146158432	Exact_Mass	531.24683176
20746480	Defined_Bond_Stereo_Count	0
59850618	Total_Formal_Charge	0
9340	Defined_Bond_Stereo_Count	0
6918293	Isotope_Atom_Count	0
44310707	Hydrogen_Bond_Donor_Count	1
1247	Hydrogen_Bond_Donor_Count	1
28397	Non-hydrogen_Atom_Count	23
70922	Defined_Atom_Stereo_Count	0
71323382	Mono_Isotopic_Weight	77.026549100
136887	Mono_Isotopic_Weight	110.073164938
10802	Isotope_Atom_Count	0
2224	Mono_Isotopic_Weight	356.23270009
47714	Isotope_Atom_Count	0
59811194	TPSA	0
86289608	Undefined_Atom_Stereo_Count	0
2733245	Undefined_Atom_Stereo_Count	0
135398653	Mono_Isotopic_Weight	239.10183929
25590	Tautomer_Count	1
20639618	Exact_Mass	20.047748626
70623	Isotope_Atom_Count	0
3457331	Defined_Atom_Stereo_Count	0
1367	Defined_Atom_Stereo_Count	0
20691661	Hydrogen_Bond_Donor_Count	2
64247	Rotatable_Bond_Count	3
91100506	Non-hydrogen_Atom_Count	7
135498233	Exact_Mass	165.02867436
24199050	Defined_Bond_Stereo_Count	0
31239	Covalent_Unit_Count	2
11768544	Undefined_Atom_Stereo_Count	0
55284719	Undefined_Atom_Stereo_Count	1
50515	Undefined_Atom_Stereo_Count	0
12438035	Structure_Complexity	79.3
63403	Defined_Atom_Stereo_Count	0
129316177	Molecular_Weight	1229.3
22022636	Molecular_Weight	86.14
50897	Molecular_Weight	383.4
11452716	Structure_Complexity	683
12563	Non-hydrogen_Atom_Count	13
584667	XLogP3-AA	3.9
20654321	Undefined_Bond_Stereo_Count	0
18336916	Exact_Mass	97.089149355
10478142	Non-hydrogen_Atom_Count	28
129856713	Molecular_Weight	176.14
61900360	Structure_Complexity	134
54326118	Rotatable_Bond_Count	2
22068766	Defined_Bond_Stereo_Count	0
95400	Molecular_Weight	186.29
6078	Defined_Bond_Stereo_Count	0
69347980	Covalent_Unit_Count	1
150901	Rotatable_Bond_Count	1
10898649	Structure_Complexity	64
642792	Undefined_Bond_Stereo_Count	0
819	Hydrogen_Bond_Acceptor_Count	30
441328	Rotatable_Bond_Count	4
199480	TPSA	55.8
667449	Molecular_Weight	324.4
44629591	Non-hydrogen_Atom_Count	40
22264	Hydrogen_Bond_Donor_Count	3
20528	Structure_Complexity	395
2734680	Molecular_Weight	562.0
9183	Undefined_Bond_Stereo_Count	0
10888095	Molecular_Weight	152.19
475319	Isotope_Atom_Count	0
44383	Structure_Complexity	544
263077	Total_Formal_Charge	0
574809	Defined_Bond_Stereo_Count	0
123286573	Rotatable_Bond_Count	3
859122	Hydrogen_Bond_Donor_Count	0
134828	Exact_Mass	298.09535693
38855	Rotatable_Bond_Count	19
342681	Mono_Isotopic_Weight	392.19071386
61867	Molecular_Weight	256.17
44560806	Mono_Isotopic_Weight	348.12561169
154511	Non-hydrogen_Atom_Count	17
13595226	Defined_Bond_Stereo_Count	0
11715766	Defined_Bond_Stereo_Count	0
18370	Exact_Mass	181.03750770
66949337	Structure_Complexity	122
8991	Hydrogen_Bond_Donor_Count	1
2434	Undefined_Bond_Stereo_Count	0
5259916	Structure_Complexity	134
5319	Undefined_Bond_Stereo_Count	0
13734208	Tautomer_Count	1
14926954	Undefined_Bond_Stereo_Count	0
129627867	Undefined_Atom_Stereo_Count	0
13348970	Structure_Complexity	66.7
2816105	Isotope_Atom_Count	0
86811394	Mono_Isotopic_Weight	373.97117
5460037	Structure_Complexity	625
9823454	Structure_Complexity	692
101988841	Rotatable_Bond_Count	0
1118	Rotatable_Bond_Count	0
57740148	Defined_Atom_Stereo_Count	0
65708	Molecular_Weight	190.20
53321470	Rotatable_Bond_Count	6
53345582	TPSA	69.6
71309905	Non-hydrogen_Atom_Count	12
453307	XLogP3-AA	1.6
11668120	Hydrogen_Bond_Acceptor_Count	4
65808	Rotatable_Bond_Count	13
161104	Non-hydrogen_Atom_Count	24
3388301	Defined_Bond_Stereo_Count	0
22594079	Mono_Isotopic_Weight	119.00409958
148539	Exact_Mass	132.0341926
8383	Hydrogen_Bond_Donor_Count	0
5903	Exact_Mass	570.25120612
153667070	Defined_Bond_Stereo_Count	0
1957	Molecular_Weight	381.5
5095	Defined_Bond_Stereo_Count	0
10920542	Isotope_Atom_Count	0
123628273	XLogP3-AA	1.1
141395	XLogP3-AA	2.2
15050	Defined_Atom_Stereo_Count	0
1823	Undefined_Atom_Stereo_Count	2
22224160	Exact_Mass	106.078250319
355	Covalent_Unit_Count	1
526950	Molecular_Weight	110.11
53724680	TPSA	12
30154	Mono_Isotopic_Weight	98.950726
3058221	TPSA	108
20820	Undefined_Atom_Stereo_Count	0
24732	Undefined_Bond_Stereo_Count	0
3016570	Exact_Mass	140.120115130
44206533	Hydrogen_Bond_Donor_Count	0
71651624	Molecular_Weight	97.12
7957	Hydrogen_Bond_Acceptor_Count	1
54602908	Mono_Isotopic_Weight	426.139632
19734140	Defined_Atom_Stereo_Count	0
5282548	Hydrogen_Bond_Donor_Count	0
63959	Tautomer_Count	4
20388	Molecular_Weight	534.1
69016240	Hydrogen_Bond_Donor_Count	3
104755	Structure_Complexity	0
46840946	Rotatable_Bond_Count	6
78352	Total_Formal_Charge	0
9917968	Exact_Mass	684.52234258
83465	Molecular_Weight	221.17
44581145	Molecular_Weight	476.9
67214459	Molecular_Weight	111.14
15186998	Undefined_Bond_Stereo_Count	0
5172	Undefined_Bond_Stereo_Count	0
151115	Isotope_Atom_Count	0
12899069	Hydrogen_Bond_Acceptor_Count	6
44393	XLogP3-AA	7
454216	Defined_Atom_Stereo_Count	6
3074943	Structure_Complexity	282
22841634	Non-hydrogen_Atom_Count	16
21285	Mono_Isotopic_Weight	229.0425048
95380	Covalent_Unit_Count	1
125409	Covalent_Unit_Count	1
65876	Undefined_Bond_Stereo_Count	0
95447	TPSA	40.5
13360	Undefined_Bond_Stereo_Count	0
66030	Structure_Complexity	182
398640	Structure_Complexity	584
23916	Mono_Isotopic_Weight	140.156500638
12515628	XLogP3-AA	0.9
1201445	Undefined_Bond_Stereo_Count	0
62546	Structure_Complexity	361
119086018	Molecular_Weight	109.09
135121972	Defined_Atom_Stereo_Count	0
4797	Undefined_Bond_Stereo_Count	0
72568	Hydrogen_Bond_Acceptor_Count	4
141295139	Undefined_Bond_Stereo_Count	0
572086	XLogP3-AA	0.7
6918663	Hydrogen_Bond_Donor_Count	1
8506	Hydrogen_Bond_Donor_Count	2
4177	XLogP3-AA	3.7
153648135	Non-hydrogen_Atom_Count	7
129661122	Hydrogen_Bond_Donor_Count	3
10944	Undefined_Atom_Stereo_Count	1
68764493	Covalent_Unit_Count	1
12860067	Total_Formal_Charge	0
87809064	Covalent_Unit_Count	1
92303	TPSA	6.5
2734122	TPSA	52.5
5284347	Exact_Mass	205.0658271
143047391	Mono_Isotopic_Weight	87.068413911
9600409	Isotope_Atom_Count	0
5859	Undefined_Atom_Stereo_Count	0
39617	Rotatable_Bond_Count	3
139085145	Covalent_Unit_Count	1
54682458	Structure_Complexity	944
13401682	Non-hydrogen_Atom_Count	8
70698365	Molecular_Weight	656.4
9832447	Molecular_Weight	502.6
19212	Molecular_Weight	464.6
5324054	Total_Formal_Charge	0
136059	Defined_Atom_Stereo_Count	0
59772	Defined_Atom_Stereo_Count	0
142952	Tautomer_Count	1
5574	Total_Formal_Charge	0
82513	Non-hydrogen_Atom_Count	17
14065290	Exact_Mass	112.063662883
78383862	Isotope_Atom_Count	0
17860889	Hydrogen_Bond_Acceptor_Count	2
62542	Defined_Bond_Stereo_Count	0
69834	Tautomer_Count	1
11995188	Total_Formal_Charge	0
15942890	Structure_Complexity	721
20949	Undefined_Bond_Stereo_Count	0
5126	Rotatable_Bond_Count	1
12448	XLogP3-AA	3.7
30781	Undefined_Atom_Stereo_Count	1
101042985	TPSA	46.5
57000164	Exact_Mass	113.011292958
23090608	Hydrogen_Bond_Acceptor_Count	2
69550	Defined_Atom_Stereo_Count	0
12282	Undefined_Bond_Stereo_Count	0
9921468	Defined_Atom_Stereo_Count	1
656832	Covalent_Unit_Count	2
10704	TPSA	43.1
88703	Defined_Bond_Stereo_Count	0
4340561	Molecular_Weight	123.18
21816393	Defined_Bond_Stereo_Count	0
15347	Covalent_Unit_Count	1
18718236	Mono_Isotopic_Weight	111.068413911
138231	Rotatable_Bond_Count	2
50483	Covalent_Unit_Count	2
16130140	Isotope_Atom_Count	0
12567226	Defined_Bond_Stereo_Count	0
53917786	Undefined_Bond_Stereo_Count	0
44452662	XLogP3-AA	2.9
46936613	Rotatable_Bond_Count	8
13654	Structure_Complexity	146
137720	Hydrogen_Bond_Acceptor_Count	2
7128	Mono_Isotopic_Weight	178.099379685
8861	Molecular_Weight	109.13
131698851	Rotatable_Bond_Count	10
76583	Hydrogen_Bond_Donor_Count	0
687818	Hydrogen_Bond_Donor_Count	2
232446	XLogP3-AA	5.4
13095	Isotope_Atom_Count	0
219704	Hydrogen_Bond_Donor_Count	1
2419	TPSA	53.1
303547	TPSA	43.1
75445	Non-hydrogen_Atom_Count	36
7285	Hydrogen_Bond_Donor_Count	0
12647544	Covalent_Unit_Count	1
44119603	Covalent_Unit_Count	1
281135	Isotope_Atom_Count	0
140951	Undefined_Atom_Stereo_Count	0
103439991	XLogP3-AA	0.2
512289	Hydrogen_Bond_Donor_Count	1
62902	Molecular_Weight	144.21
546946	Tautomer_Count	2
72930	Hydrogen_Bond_Acceptor_Count	4
50914184	TPSA	30.7
8497	Hydrogen_Bond_Acceptor_Count	4
49865493	Hydrogen_Bond_Acceptor_Count	3
5365332	Undefined_Bond_Stereo_Count	0
71300725	Defined_Atom_Stereo_Count	0
99987	Undefined_Atom_Stereo_Count	1
56673241	XLogP3-AA	2.8
61743	Molecular_Weight	170.25
84647683	Molecular_Weight	113.12
49750	Undefined_Atom_Stereo_Count	0
228506	Mono_Isotopic_Weight	140.02219199
529031	Total_Formal_Charge	0
71300726	Isotope_Atom_Count	0
8978	Undefined_Atom_Stereo_Count	0
21539078	Structure_Complexity	61.2
97469	Hydrogen_Bond_Acceptor_Count	2
3743706	Exact_Mass	127.06088375
22271690	Undefined_Bond_Stereo_Count	0
86399	Structure_Complexity	191
195	Hydrogen_Bond_Donor_Count	7
219608	Defined_Atom_Stereo_Count	0
16759173	Isotope_Atom_Count	0
10974	Structure_Complexity	75.8
10975431	Rotatable_Bond_Count	1
129628447	Defined_Bond_Stereo_Count	5
4800713	Hydrogen_Bond_Donor_Count	1
13549438	Undefined_Bond_Stereo_Count	0
91532137	Undefined_Bond_Stereo_Count	0
11067463	Structure_Complexity	421
534566	Tautomer_Count	3
12289749	Defined_Atom_Stereo_Count	0
94910	Undefined_Atom_Stereo_Count	0
3034658	Rotatable_Bond_Count	1
2320	Isotope_Atom_Count	0
71474517	Undefined_Atom_Stereo_Count	0
3033821	Defined_Atom_Stereo_Count	0
9938056	Molecular_Weight	574.8
123178849	Total_Formal_Charge	0
75421	Total_Formal_Charge	0
439377	Non-hydrogen_Atom_Count	11
11979704	Tautomer_Count	1
19782027	Defined_Bond_Stereo_Count	0
7779	Undefined_Atom_Stereo_Count	0
9809002	Hydrogen_Bond_Acceptor_Count	6
49652	Total_Formal_Charge	0
4387	Exact_Mass	216.15862589
3213	Structure_Complexity	342
14013	Mono_Isotopic_Weight	79.026943022
139243813	Defined_Atom_Stereo_Count	0
468	Structure_Complexity	1040
17155	Defined_Bond_Stereo_Count	0
14362	Isotope_Atom_Count	0
54515893	Non-hydrogen_Atom_Count	8
154825180	Undefined_Bond_Stereo_Count	0
102492967	Rotatable_Bond_Count	6
21702770	Mono_Isotopic_Weight	114.068079557
84106835	Rotatable_Bond_Count	0
8995	Structure_Complexity	174
76224463	TPSA	65
155465	Defined_Atom_Stereo_Count	0
135476784	Rotatable_Bond_Count	2
151473	Non-hydrogen_Atom_Count	14
575802	Non-hydrogen_Atom_Count	14
10269854	Covalent_Unit_Count	1
20378092	Total_Formal_Charge	0
44230999	TPSA	128
4460493	Covalent_Unit_Count	1
107	Defined_Atom_Stereo_Count	0
18955278	Mono_Isotopic_Weight	97.052763847
86000267	XLogP3-AA	6.3
12724398	Mono_Isotopic_Weight	112.100048391
13713368	Molecular_Weight	395.0
135406868	Exact_Mass	130.01268994
53885557	Defined_Atom_Stereo_Count	0
3651	Total_Formal_Charge	0
3067	Exact_Mass	561.29511936
10399	Undefined_Atom_Stereo_Count	0
60359	Mono_Isotopic_Weight	449.19844227
1652	Defined_Bond_Stereo_Count	0
222155	Covalent_Unit_Count	1
20739	Undefined_Atom_Stereo_Count	0
51030896	Defined_Bond_Stereo_Count	0
72523	TPSA	12
133562785	Isotope_Atom_Count	0
395450	Mono_Isotopic_Weight	397.14492710
24751	Defined_Bond_Stereo_Count	0
73306	TPSA	63.3
21162824	Undefined_Bond_Stereo_Count	0
97109339	Exact_Mass	106.041864811
73185506	TPSA	9.2
16821	Non-hydrogen_Atom_Count	14
16130278	Non-hydrogen_Atom_Count	114
968625	Molecular_Weight	330.4
160212	Molecular_Weight	211.64
15448870	Rotatable_Bond_Count	0
11062335	Molecular_Weight	110.15
34991	Non-hydrogen_Atom_Count	20
135992838	Undefined_Bond_Stereo_Count	0
77487	Rotatable_Bond_Count	4
96420	Exact_Mass	165.090211983
12462026	Covalent_Unit_Count	1
138813	Exact_Mass	96.057514874
712421	Hydrogen_Bond_Donor_Count	2
39676	Structure_Complexity	391
13991585	Covalent_Unit_Count	1
62858	Defined_Atom_Stereo_Count	2
101598717	Covalent_Unit_Count	1
5738	Structure_Complexity	766
61120	Total_Formal_Charge	0
68789	Undefined_Atom_Stereo_Count	1
5315659	Exact_Mass	316.240230259
198212	Molecular_Weight	179.17
71517869	Non-hydrogen_Atom_Count	34
13214209	Non-hydrogen_Atom_Count	8
21466713	Hydrogen_Bond_Donor_Count	1
22323434	Molecular_Weight	466.5
11396	Molecular_Weight	156.22
5462328	Covalent_Unit_Count	1
10094429	Rotatable_Bond_Count	6
117763868	Mono_Isotopic_Weight	419.34787550
6917839	Hydrogen_Bond_Donor_Count	2
135412725	TPSA	129
205970	Undefined_Atom_Stereo_Count	1
73958	Mono_Isotopic_Weight	110.073164938
3398	Undefined_Atom_Stereo_Count	1
529267	Defined_Bond_Stereo_Count	0
6324671	Undefined_Bond_Stereo_Count	0
839611	Defined_Bond_Stereo_Count	0
7048634	Rotatable_Bond_Count	6
358996	TPSA	46.3
53724680	Defined_Bond_Stereo_Count	0
95400	Total_Formal_Charge	0
6992111	Hydrogen_Bond_Donor_Count	1
11310242	Covalent_Unit_Count	1
9707	Mono_Isotopic_Weight	112.032442941
70683717	XLogP3-AA	2.9
16066663	Covalent_Unit_Count	1
21547708	Covalent_Unit_Count	1
5288217	Hydrogen_Bond_Donor_Count	4
56622517	Molecular_Weight	116.16
75614	Rotatable_Bond_Count	5
13810419	Structure_Complexity	161
17396	Undefined_Bond_Stereo_Count	0
46926362	Exact_Mass	335.12454663
159157	Exact_Mass	208.04054465
68009	TPSA	17.1
66257	Structure_Complexity	910
9548590	Hydrogen_Bond_Acceptor_Count	4
5480431	Hydrogen_Bond_Donor_Count	5
613589	Isotope_Atom_Count	0
1393	Isotope_Atom_Count	0
57302612	Non-hydrogen_Atom_Count	6
13050985	Structure_Complexity	91.9
637090	Mono_Isotopic_Weight	86.036779430
15367	Undefined_Bond_Stereo_Count	0
135421876	XLogP3-AA	0.2
87692081	Isotope_Atom_Count	0
5284443	Hydrogen_Bond_Donor_Count	4
674572	Defined_Bond_Stereo_Count	0
3084014	Hydrogen_Bond_Donor_Count	4
87468661	Structure_Complexity	124
71316600	XLogP3-AA	7.7
542420	Isotope_Atom_Count	0
18726540	Undefined_Atom_Stereo_Count	2
667450	Rotatable_Bond_Count	0
12974	Hydrogen_Bond_Donor_Count	0
12347118	Molecular_Weight	116.16
444455	Covalent_Unit_Count	1
10215	Undefined_Bond_Stereo_Count	0
1064	Hydrogen_Bond_Acceptor_Count	6
24361	Covalent_Unit_Count	1
15190665	Rotatable_Bond_Count	0
565635	Rotatable_Bond_Count	4
2267	Mono_Isotopic_Weight	381.1607901
19150	Exact_Mass	405.09945651
45073437	Exact_Mass	310.936458
253298	Undefined_Atom_Stereo_Count	1
20072484	Undefined_Bond_Stereo_Count	0
135403803	Undefined_Atom_Stereo_Count	0
75881	XLogP3-AA	1.5
10869981	XLogP3	3.5
1272	Defined_Bond_Stereo_Count	0
135779828	Covalent_Unit_Count	1
76198	Rotatable_Bond_Count	3
5310983	Isotope_Atom_Count	0
2463138	Non-hydrogen_Atom_Count	7
448223	Undefined_Atom_Stereo_Count	0
60503	Defined_Bond_Stereo_Count	0
135556691	Undefined_Atom_Stereo_Count	0
9474	Structure_Complexity	90.3
9861	Defined_Bond_Stereo_Count	0
84954	Covalent_Unit_Count	1
2480	Molecular_Weight	306.4
57565697	Total_Formal_Charge	0
103648	Undefined_Bond_Stereo_Count	0
91302105	Hydrogen_Bond_Donor_Count	0
1993	Undefined_Bond_Stereo_Count	0
20158038	Defined_Bond_Stereo_Count	0
523547	Undefined_Atom_Stereo_Count	1
87380	Exact_Mass	240.133427172
728	Mono_Isotopic_Weight	251.883389
57483528	Defined_Bond_Stereo_Count	0
584807	XLogP3-AA	3.5
65351	Mono_Isotopic_Weight	147.01764164
122074	Rotatable_Bond_Count	0
21131860	Undefined_Bond_Stereo_Count	0
23674739	Undefined_Bond_Stereo_Count	0
7957	Isotope_Atom_Count	0
53145	Isotope_Atom_Count	0
18335911	Structure_Complexity	109
15758	Undefined_Bond_Stereo_Count	0
547686	Non-hydrogen_Atom_Count	8
24768019	Undefined_Atom_Stereo_Count	0
5352428	Undefined_Bond_Stereo_Count	0
44115	Exact_Mass	334.0884336
84811	Undefined_Atom_Stereo_Count	0
53667465	Hydrogen_Bond_Donor_Count	0
91501151	Hydrogen_Bond_Donor_Count	0
451187	Undefined_Bond_Stereo_Count	0
361762	Structure_Complexity	128
49909	TPSA	36.9
11527661	Defined_Atom_Stereo_Count	1
8016	Defined_Bond_Stereo_Count	0
903738	Exact_Mass	338.0491912
27967	Isotope_Atom_Count	0
70691486	Undefined_Atom_Stereo_Count	0
8714	Hydrogen_Bond_Donor_Count	6
74950937	Hydrogen_Bond_Donor_Count	6
85775728	Non-hydrogen_Atom_Count	8
129317940	Hydrogen_Bond_Acceptor_Count	7
439423	Isotope_Atom_Count	0
6017	Rotatable_Bond_Count	2
57399125	Non-hydrogen_Atom_Count	29
7536516	Mono_Isotopic_Weight	161.095297364
10346870	Molecular_Weight	529.5
37686	Undefined_Bond_Stereo_Count	0
5363685	TPSA	34.1
1630	XLogP3-AA	0.7
2724279	Hydrogen_Bond_Acceptor_Count	3
14270	Total_Formal_Charge	0
14233	Non-hydrogen_Atom_Count	8
66824709	Undefined_Atom_Stereo_Count	0
5284648	Rotatable_Bond_Count	1
12600	Hydrogen_Bond_Donor_Count	6
10991686	Undefined_Atom_Stereo_Count	0
880	Mono_Isotopic_Weight	72.021129366
9416	Hydrogen_Bond_Acceptor_Count	3
6538981	Defined_Bond_Stereo_Count	0
14029615	Defined_Atom_Stereo_Count	1
13597991	Isotope_Atom_Count	0
70690638	Exact_Mass	457.18623762
53441735	TPSA	38.1
1452	Undefined_Bond_Stereo_Count	1
121275199	Defined_Bond_Stereo_Count	0
56663314	Mono_Isotopic_Weight	511.1290284
3073	Hydrogen_Bond_Acceptor_Count	3
5284380	Defined_Atom_Stereo_Count	4
10219763	Hydrogen_Bond_Acceptor_Count	6
11679800	XLogP3-AA	2.4
15620	TPSA	25.3
7868	Defined_Bond_Stereo_Count	0
894	TPSA	166
53487898	Rotatable_Bond_Count	111
92363	XLogP3	1.5
26035	Rotatable_Bond_Count	4
12140167	Undefined_Bond_Stereo_Count	0
7857	Hydrogen_Bond_Donor_Count	1
80654	Isotope_Atom_Count	0
135513268	Undefined_Bond_Stereo_Count	0
888	Undefined_Bond_Stereo_Count	0
89951991	Hydrogen_Bond_Acceptor_Count	11
5281894	Total_Formal_Charge	0
24688	Non-hydrogen_Atom_Count	8
72396	Undefined_Bond_Stereo_Count	0
5562	Molecular_Weight	302.37
57992058	Defined_Bond_Stereo_Count	0
85531465	Exact_Mass	86.036779430
80782	Mono_Isotopic_Weight	171.0450916
22035328	Total_Formal_Charge	0
140083	XLogP3-AA	0.9
91272	Structure_Complexity	429
25091037	Rotatable_Bond_Count	37
5311010	Rotatable_Bond_Count	18
137031	Undefined_Atom_Stereo_Count	0
19601937	Isotope_Atom_Count	0
78407	Covalent_Unit_Count	1
4523333	Exact_Mass	151.039519081
9831414	Hydrogen_Bond_Donor_Count	0
22720	Mono_Isotopic_Weight	103.099714038
4822	Defined_Bond_Stereo_Count	0
78408892	XLogP3-AA	0.1
13740445	Molecular_Weight	97.12
131740853	Exact_Mass	563.13188
129396765	Undefined_Atom_Stereo_Count	0
60199965	Defined_Atom_Stereo_Count	2
1646	Defined_Bond_Stereo_Count	0
10857507	Exact_Mass	238.06886740
97842	Mono_Isotopic_Weight	170.130679813
6257	Structure_Complexity	246
6335507	Rotatable_Bond_Count	10
2794	Undefined_Bond_Stereo_Count	0
3034424	Undefined_Bond_Stereo_Count	0
139099	Defined_Atom_Stereo_Count	0
22316388	Molecular_Weight	108.10
118121642	Hydrogen_Bond_Donor_Count	0
2762892	Defined_Bond_Stereo_Count	0
20448997	Hydrogen_Bond_Acceptor_Count	3
7210	Non-hydrogen_Atom_Count	21
69070	Rotatable_Bond_Count	0
55329	Non-hydrogen_Atom_Count	19
60246	Molecular_Weight	373.9
23305129	Rotatable_Bond_Count	13
146156970	Rotatable_Bond_Count	26
8124	Exact_Mass	162.0811428
3058221	Defined_Bond_Stereo_Count	0
7549	Isotope_Atom_Count	0
3762	TPSA	72.7
10100	Defined_Bond_Stereo_Count	0
2762809	Defined_Atom_Stereo_Count	0
81936	Undefined_Atom_Stereo_Count	0
17179	Molecular_Weight	332.2
694647	Hydrogen_Bond_Acceptor_Count	2
6914282	Structure_Complexity	798
67420901	Undefined_Bond_Stereo_Count	0
53694406	XLogP3-AA	2.8
24900685	Molecular_Weight	464.6
15418402	Rotatable_Bond_Count	0
1028	Hydrogen_Bond_Acceptor_Count	6
5317112	Structure_Complexity	457
74377607	Molecular_Weight	98.10
5246258	Rotatable_Bond_Count	1
5281706	Non-hydrogen_Atom_Count	22
9551858	Hydrogen_Bond_Donor_Count	2
162413	XLogP3	3.7
25142699	Rotatable_Bond_Count	3
71305058	Molecular_Weight	421.3
574495	Undefined_Atom_Stereo_Count	12
29199	Hydrogen_Bond_Donor_Count	2
60602	Rotatable_Bond_Count	11
445794	Molecular_Weight	559.32
22015	Hydrogen_Bond_Donor_Count	0
55288485	Total_Formal_Charge	0
76619	Undefined_Bond_Stereo_Count	0
129814671	Total_Formal_Charge	0
15216102	TPSA	49.3
10236037	Mono_Isotopic_Weight	173.141578849
636367	Isotope_Atom_Count	0
501728	TPSA	235
5994	Covalent_Unit_Count	1
9962	Molecular_Weight	154.26
135476260	Non-hydrogen_Atom_Count	32
135413540	Undefined_Bond_Stereo_Count	0
13019052	Defined_Atom_Stereo_Count	3
36027	Undefined_Bond_Stereo_Count	0
7285	Isotope_Atom_Count	0
10133	Structure_Complexity	605
23736	Hydrogen_Bond_Acceptor_Count	2
22976356	Non-hydrogen_Atom_Count	10
60822	Total_Formal_Charge	0
66265	Mono_Isotopic_Weight	231.12348400
4611851	Hydrogen_Bond_Acceptor_Count	2
85906	Total_Formal_Charge	0
445750	Isotope_Atom_Count	0
10197619	Non-hydrogen_Atom_Count	6
774599	Defined_Atom_Stereo_Count	0
7351	Hydrogen_Bond_Donor_Count	0
101925	Hydrogen_Bond_Donor_Count	2
12397138	Exact_Mass	98.073164938
123630180	Hydrogen_Bond_Donor_Count	0
54415369	Structure_Complexity	58.7
5369209	TPSA	63.6
25195	Total_Formal_Charge	0
1684	Undefined_Bond_Stereo_Count	0
1550470	TPSA	26.3
6047	Structure_Complexity	209
17693	Undefined_Atom_Stereo_Count	0
102029	Total_Formal_Charge	0
19756	Mono_Isotopic_Weight	184.063662883
79137	TPSA	35.5
13721252	Defined_Bond_Stereo_Count	0
7122	Non-hydrogen_Atom_Count	13
6434622	Total_Formal_Charge	0
61083	Structure_Complexity	93.9
449223	Molecular_Weight	431.6
99940264	TPSA	190
8063338	Mono_Isotopic_Weight	115.026943022
443935	Rotatable_Bond_Count	0
15208558	Undefined_Bond_Stereo_Count	0
21777	Total_Formal_Charge	0
14081616	Total_Formal_Charge	0
123286573	XLogP3-AA	0.1
15405197	Covalent_Unit_Count	1
222548	Hydrogen_Bond_Acceptor_Count	0
3035405	Exact_Mass	1212.68532087
44134877	Molecular_Weight	958.9
60196335	Undefined_Bond_Stereo_Count	0
33741	Total_Formal_Charge	0
16133838	Hydrogen_Bond_Acceptor_Count	54
13427567	Structure_Complexity	54.5
82734	Isotope_Atom_Count	0
13848133	Rotatable_Bond_Count	1
443955	Molecular_Weight	350.5
14563	XLogP3-AA	3.4
82418959	Mono_Isotopic_Weight	115.038176411
3293	Undefined_Atom_Stereo_Count	0
443604	Rotatable_Bond_Count	10
17694	Rotatable_Bond_Count	5
7767	Undefined_Atom_Stereo_Count	0
23170707	Rotatable_Bond_Count	1
152821976	Isotope_Atom_Count	0
6857732	Covalent_Unit_Count	1
67486	Isotope_Atom_Count	0
11808	Non-hydrogen_Atom_Count	14
78858	Total_Formal_Charge	0
135565635	Hydrogen_Bond_Acceptor_Count	5
46218908	Rotatable_Bond_Count	14
69251960	Hydrogen_Bond_Donor_Count	1
444215	Isotope_Atom_Count	0
34192	Structure_Complexity	213
7200	Defined_Atom_Stereo_Count	0
68057	Non-hydrogen_Atom_Count	13
225564	Hydrogen_Bond_Acceptor_Count	1
3966	Total_Formal_Charge	0
8718	TPSA	34.1
12148	Covalent_Unit_Count	1
158403	Defined_Atom_Stereo_Count	0
197861	Mono_Isotopic_Weight	195.162314293
2762864	Total_Formal_Charge	0
89027474	Structure_Complexity	101
136183446	Undefined_Bond_Stereo_Count	0
12538241	Hydrogen_Bond_Acceptor_Count	3
11614934	Undefined_Bond_Stereo_Count	0
10975412	Isotope_Atom_Count	0
44155874	Hydrogen_Bond_Donor_Count	0
282752	Total_Formal_Charge	0
59232326	Isotope_Atom_Count	0
5155	Non-hydrogen_Atom_Count	16
68871182	Rotatable_Bond_Count	1
9989237	Structure_Complexity	68.3
2128	Defined_Bond_Stereo_Count	0
53678703	Isotope_Atom_Count	0
126843213	Undefined_Bond_Stereo_Count	0
7118	Structure_Complexity	127
7721	Undefined_Atom_Stereo_Count	0
5189	XLogP3-AA	3.2
4438527	Non-hydrogen_Atom_Count	45
105024	Exact_Mass	196.99550
10131132	Undefined_Bond_Stereo_Count	0
88703	Undefined_Atom_Stereo_Count	0
53757199	Defined_Atom_Stereo_Count	0
14022509	Total_Formal_Charge	0
97730	Defined_Atom_Stereo_Count	0
74320	Tautomer_Count	1
374	Exact_Mass	202.01135253
57399909	Total_Formal_Charge	0
10555	Covalent_Unit_Count	1
26758	Molecular_Weight	223.74
12275054	Total_Formal_Charge	0
104774	Undefined_Atom_Stereo_Count	0
57704514	Defined_Bond_Stereo_Count	0
2308	XLogP3	2.2
7360	Hydrogen_Bond_Donor_Count	1
18626423	Non-hydrogen_Atom_Count	8
729483	Defined_Bond_Stereo_Count	0
6450232	Total_Formal_Charge	0
134990043	Exact_Mass	99.02327524
5463911	Isotope_Atom_Count	0
390798	Hydrogen_Bond_Donor_Count	0
55900	Structure_Complexity	483
183809	Mono_Isotopic_Weight	368.16371127
23663976	Mono_Isotopic_Weight	433.16653072
58528	Exact_Mass	256.121177757
9843750	Rotatable_Bond_Count	5
546996	Structure_Complexity	64.6
283242	Hydrogen_Bond_Acceptor_Count	2
5459958	Structure_Complexity	136
12556661	Hydrogen_Bond_Acceptor_Count	0
225710	Total_Formal_Charge	0
5879967	Isotope_Atom_Count	0
18459757	Undefined_Bond_Stereo_Count	0
71718453	Undefined_Bond_Stereo_Count	0
20514195	Mono_Isotopic_Weight	103.063328530
18521191	Molecular_Weight	97.16
17755052	Molecular_Weight	513.6
23691042	Undefined_Bond_Stereo_Count	0
19693843	Rotatable_Bond_Count	0
81457	XLogP3-AA	0.8
91528	Hydrogen_Bond_Acceptor_Count	4
154776153	Rotatable_Bond_Count	0
55891	Defined_Atom_Stereo_Count	2
35876	Rotatable_Bond_Count	2
135951	Molecular_Weight	279.27
11675641	Undefined_Atom_Stereo_Count	0
52941030	Defined_Atom_Stereo_Count	1
167266	Rotatable_Bond_Count	1
71356554	Defined_Atom_Stereo_Count	1
22206	Molecular_Weight	229.71
14679813	Molecular_Weight	645.8
44419240	Hydrogen_Bond_Acceptor_Count	3
12682	Non-hydrogen_Atom_Count	9
25526	Structure_Complexity	1150
10646616	Mono_Isotopic_Weight	436.02047
5364448	Defined_Bond_Stereo_Count	1
295258	Isotope_Atom_Count	0
5360349	Rotatable_Bond_Count	0
14678666	XLogP3-AA	0
5324810	Hydrogen_Bond_Acceptor_Count	3
20605384	Mono_Isotopic_Weight	96.057514874
3652	Rotatable_Bond_Count	9
11200	Hydrogen_Bond_Acceptor_Count	0
604152	Mono_Isotopic_Weight	201.115364102
3746	Hydrogen_Bond_Acceptor_Count	3
138510	Total_Formal_Charge	0
35372055	Defined_Bond_Stereo_Count	0
166534	Hydrogen_Bond_Acceptor_Count	6
16316	Rotatable_Bond_Count	8
5359	Undefined_Bond_Stereo_Count	0
67493918	Hydrogen_Bond_Acceptor_Count	2
4911	Rotatable_Bond_Count	7
47897	Total_Formal_Charge	0
70413	Tautomer_Count	1
4477	Molecular_Weight	327.12
11635763	Hydrogen_Bond_Acceptor_Count	9
10616	Undefined_Bond_Stereo_Count	0
86790	Non-hydrogen_Atom_Count	7
15024801	Hydrogen_Bond_Donor_Count	0
54685141	Total_Formal_Charge	0
89226742	Hydrogen_Bond_Acceptor_Count	2
161764	Total_Formal_Charge	0
18397995	Mono_Isotopic_Weight	645.24801352
163468867	Total_Formal_Charge	0
21698825	Defined_Atom_Stereo_Count	0
44303980	Exact_Mass	408.28757437
444	Non-hydrogen_Atom_Count	16
97065	TPSA	98.2
91742	Isotope_Atom_Count	0
5462442	Hydrogen_Bond_Donor_Count	2
13245702	Hydrogen_Bond_Acceptor_Count	0
11544171	Non-hydrogen_Atom_Count	24
69849	Undefined_Atom_Stereo_Count	0
70301	Hydrogen_Bond_Donor_Count	2
6405	Isotope_Atom_Count	0
21070	XLogP3	7
135436515	Exact_Mass	444.97762691
31277	Undefined_Bond_Stereo_Count	0
106705	Undefined_Bond_Stereo_Count	0
439202	Hydrogen_Bond_Donor_Count	4
56974851	TPSA	38.3
24769	Structure_Complexity	90.2
13399110	Undefined_Atom_Stereo_Count	0
1024	TPSA	175
11518211	Structure_Complexity	699
518996	Defined_Atom_Stereo_Count	0
14958952	Isotope_Atom_Count	0
60196409	Molecular_Weight	548.0
48920	Undefined_Atom_Stereo_Count	0
20056950	Isotope_Atom_Count	0
135882	Molecular_Weight	249.39
16958	Defined_Bond_Stereo_Count	0
44195064	Structure_Complexity	213
855860	Defined_Bond_Stereo_Count	0
139078440	Defined_Bond_Stereo_Count	0
20514191	Structure_Complexity	62.6
64017	TPSA	112
10973	Undefined_Bond_Stereo_Count	0
11106352	Rotatable_Bond_Count	0
129853863	Exact_Mass	266.260965704
18980	Isotope_Atom_Count	0
3527720	Hydrogen_Bond_Donor_Count	3
21330	Undefined_Bond_Stereo_Count	0
32698	Non-hydrogen_Atom_Count	21
519543	TPSA	52.6
573612	Total_Formal_Charge	0
541087	Undefined_Atom_Stereo_Count	3
16122553	Covalent_Unit_Count	1
9800555	Isotope_Atom_Count	0
2315	Undefined_Atom_Stereo_Count	1
5890	TPSA	415
3879	Undefined_Atom_Stereo_Count	26
41505	Structure_Complexity	314
439156	Defined_Bond_Stereo_Count	0
14251	TPSA	0
5288679	Molecular_Weight	384.4
24775	Total_Formal_Charge	0
21187532	Non-hydrogen_Atom_Count	8
566597	Undefined_Bond_Stereo_Count	0
24825264	Hydrogen_Bond_Acceptor_Count	7
12664944	Mono_Isotopic_Weight	100.088815002
439498	TPSA	93.4
6361	Hydrogen_Bond_Acceptor_Count	0
51803	Molecular_Weight	365.82
60134	Structure_Complexity	533
6954	Undefined_Atom_Stereo_Count	0
89268685	Molecular_Weight	114.10
30664	Total_Formal_Charge	0
21953621	Total_Formal_Charge	0
5778	Total_Formal_Charge	0
4682	Exact_Mass	1401.73914735
143061	Structure_Complexity	123
10971	Structure_Complexity	165
71435578	TPSA	34.1
2655	TPSA	201
13445118	Undefined_Bond_Stereo_Count	0
150736	Undefined_Bond_Stereo_Count	0
102233552	Defined_Bond_Stereo_Count	1
12513438	Defined_Atom_Stereo_Count	0
6917972	Isotope_Atom_Count	0
86287410	XLogP3-AA	2.8
93146	Hydrogen_Bond_Donor_Count	2
6017	Total_Formal_Charge	0
157820065	Total_Formal_Charge	0
70684298	Hydrogen_Bond_Acceptor_Count	4
78771	Total_Formal_Charge	0
44560807	Covalent_Unit_Count	1
123870	Defined_Atom_Stereo_Count	0
134688043	Hydrogen_Bond_Acceptor_Count	12
20838642	Undefined_Bond_Stereo_Count	0
173612	Rotatable_Bond_Count	5
69503325	Rotatable_Bond_Count	0
68432538	Mono_Isotopic_Weight	100.052429494
85673900	Defined_Atom_Stereo_Count	0
4136	Hydrogen_Bond_Donor_Count	1
37632	TPSA	46.3
3554	Mono_Isotopic_Weight	783.29064583
3267	Defined_Atom_Stereo_Count	0
202225	Molecular_Weight	814.0
5681	Tautomer_Count	1
643327	Hydrogen_Bond_Acceptor_Count	3
5056	XLogP3-AA	3.1
98473	Rotatable_Bond_Count	5
21932803	Exact_Mass	121.03884512
6604495	Defined_Bond_Stereo_Count	0
5808883	Exact_Mass	872.49220697
24200857	TPSA	3.2
447378	Undefined_Bond_Stereo_Count	0
12730529	Hydrogen_Bond_Donor_Count	1
66660558	TPSA	18.5
96568	Tautomer_Count	3
441306	Molecular_Weight	475.6
664338	Non-hydrogen_Atom_Count	28
10197842	Mono_Isotopic_Weight	163.06669983
69335094	Molecular_Weight	115.09
44353367	Structure_Complexity	506
13181	Rotatable_Bond_Count	3
44946	Hydrogen_Bond_Acceptor_Count	2
59717617	Hydrogen_Bond_Acceptor_Count	3
13460	Defined_Bond_Stereo_Count	0
7074810	TPSA	74.6
25151504	Defined_Atom_Stereo_Count	3
162918373	Total_Formal_Charge	0
82993	Hydrogen_Bond_Donor_Count	0
10881	Defined_Bond_Stereo_Count	0
6642	Molecular_Weight	214.28
18608	Rotatable_Bond_Count	5
95162416	Hydrogen_Bond_Donor_Count	8
16775060	Structure_Complexity	41.4
525785	XLogP3-AA	1.6
6858006	Molecular_Weight	873.1
138440	Undefined_Bond_Stereo_Count	0
596336	TPSA	47.6
1219	Exact_Mass	247.193614421
64432	Total_Formal_Charge	0
58323974	Non-hydrogen_Atom_Count	8
359231	TPSA	20.2
104838	Hydrogen_Bond_Donor_Count	3
11407637	Defined_Atom_Stereo_Count	0
24586	Defined_Bond_Stereo_Count	0
89	Tautomer_Count	21
131954786	Exact_Mass	3356.8220541
51042	Total_Formal_Charge	0
73078	Defined_Bond_Stereo_Count	0
24751	TPSA	25.1
56738	Covalent_Unit_Count	1
30410	Isotope_Atom_Count	0
5149739	Undefined_Bond_Stereo_Count	0
22726089	Defined_Atom_Stereo_Count	0
23677829	Hydrogen_Bond_Donor_Count	2
2724372	Structure_Complexity	412
137705114	Structure_Complexity	415
58468319	Molecular_Weight	114.19
77171	Exact_Mass	560.18669111
439739	Non-hydrogen_Atom_Count	25
54092188	Isotope_Atom_Count	0
2167	Isotope_Atom_Count	0
25246317	Defined_Atom_Stereo_Count	12
43598	Mono_Isotopic_Weight	226.10275099
54732122	TPSA	83.8
7084	Structure_Complexity	512
3494	Defined_Atom_Stereo_Count	0
4066093	Undefined_Bond_Stereo_Count	0
21685	Defined_Bond_Stereo_Count	0
27350	Undefined_Bond_Stereo_Count	0
104954	TPSA	63
62829	Molecular_Weight	302.4
6918457	Hydrogen_Bond_Acceptor_Count	7
139085145	Molecular_Weight	296.29
135398735	Defined_Atom_Stereo_Count	9
644078	XLogP3-AA	14
16687470	Structure_Complexity	936
65875	Mono_Isotopic_Weight	309.147726857
700140	Undefined_Atom_Stereo_Count	0
9589606	Molecular_Weight	518.4
89769286	Rotatable_Bond_Count	2
138122	Hydrogen_Bond_Donor_Count	1
56962215	Defined_Bond_Stereo_Count	0
23159180	Hydrogen_Bond_Donor_Count	1
7608	Defined_Atom_Stereo_Count	0
31226	Hydrogen_Bond_Donor_Count	0
129720364	Mono_Isotopic_Weight	283.16443955
2845	Undefined_Atom_Stereo_Count	5
8557	Defined_Atom_Stereo_Count	0
10076625	Defined_Bond_Stereo_Count	0
15309593	XLogP3-AA	1.2
284980	Total_Formal_Charge	0
24968	Hydrogen_Bond_Donor_Count	0
14866914	Molecular_Weight	102.09
9552077	Covalent_Unit_Count	7
3037131	Defined_Atom_Stereo_Count	0
14305	Isotope_Atom_Count	0
3033943	Non-hydrogen_Atom_Count	32
34468	Isotope_Atom_Count	0
4205037	TPSA	74.8
33498	Undefined_Bond_Stereo_Count	0
44345361	Rotatable_Bond_Count	3
95724	Tautomer_Count	3
148089453	Covalent_Unit_Count	1
29773	Total_Formal_Charge	0
73755062	Rotatable_Bond_Count	14
104977	Mono_Isotopic_Weight	232.088815002
129852452	Total_Formal_Charge	0
6427097	Total_Formal_Charge	0
21122	Mono_Isotopic_Weight	112.125200510
225710	Undefined_Atom_Stereo_Count	1
359784	Non-hydrogen_Atom_Count	13
5208	Exact_Mass	288.09977361
13877	Structure_Complexity	102
12201383	Undefined_Bond_Stereo_Count	0
57392006	XLogP3-AA	3.3
101894327	Exact_Mass	324.17254462
48918	Undefined_Bond_Stereo_Count	0
2954	TPSA	116
37642	TPSA	23.6
6432729	Molecular_Weight	388.7
11174789	Covalent_Unit_Count	1
893524	Undefined_Atom_Stereo_Count	0
7617	Structure_Complexity	92.1
15136232	Defined_Bond_Stereo_Count	0
6538897	Molecular_Weight	328.16
92922	Undefined_Bond_Stereo_Count	0
143009217	Mono_Isotopic_Weight	111.068413911
18954572	Molecular_Weight	98.10
66509087	Hydrogen_Bond_Acceptor_Count	12
14437479	Undefined_Atom_Stereo_Count	0
237546	Total_Formal_Charge	0
5388925	Defined_Bond_Stereo_Count	4
53364510	Covalent_Unit_Count	1
441289	Undefined_Atom_Stereo_Count	0
10025615	TPSA	40.5
21443942	Structure_Complexity	68.3
419490	Isotope_Atom_Count	0
98055	XLogP3-AA	4
4113127	Exact_Mass	104.094963011
13205764	Defined_Bond_Stereo_Count	0
3956708	Mono_Isotopic_Weight	213.03338833
11480417	Mono_Isotopic_Weight	111.068413911
65675	Undefined_Atom_Stereo_Count	0
45830	Covalent_Unit_Count	1
15575641	Defined_Bond_Stereo_Count	0
6918025	Mono_Isotopic_Weight	1190.50414357
89054492	Hydrogen_Bond_Acceptor_Count	2
11412346	Molecular_Weight	97.16
53921772	Rotatable_Bond_Count	1
12302	Hydrogen_Bond_Acceptor_Count	2
545093	Hydrogen_Bond_Acceptor_Count	1
65774	Hydrogen_Bond_Acceptor_Count	5
53346493	Non-hydrogen_Atom_Count	23
20638786	Defined_Bond_Stereo_Count	0
90410375	Undefined_Atom_Stereo_Count	0
398652	Molecular_Weight	429.5
1004	Mono_Isotopic_Weight	97.97689557
3034424	TPSA	26.3
123679079	Undefined_Atom_Stereo_Count	2
148140	Molecular_Weight	161.20
12289749	Defined_Bond_Stereo_Count	0
44814409	Undefined_Atom_Stereo_Count	0
595921	Tautomer_Count	1
2762894	Structure_Complexity	72.9
263077	TPSA	25.3
137348308	Hydrogen_Bond_Donor_Count	1
49427	Defined_Bond_Stereo_Count	0
92044408	Hydrogen_Bond_Acceptor_Count	28
441278	Hydrogen_Bond_Donor_Count	1
12500500	Hydrogen_Bond_Acceptor_Count	2
2734244	Exact_Mass	240.1420914
5460348	TPSA	60.4
123664524	Covalent_Unit_Count	1
74002265	Hydrogen_Bond_Donor_Count	0
516644	TPSA	30.3
10780	Undefined_Atom_Stereo_Count	0
6918123	Undefined_Atom_Stereo_Count	0
1218	Structure_Complexity	322
22475	Rotatable_Bond_Count	11
580104	Undefined_Atom_Stereo_Count	0
14245	Hydrogen_Bond_Donor_Count	0
5504	Rotatable_Bond_Count	2
6427476	Undefined_Atom_Stereo_Count	2
5284585	Isotope_Atom_Count	0
3173542	Undefined_Bond_Stereo_Count	0
22304	Structure_Complexity	308
12468302	Exact_Mass	97.052763847
66636	TPSA	59
1721	Mono_Isotopic_Weight	290.11140092
85535	Mono_Isotopic_Weight	396.396730897
5281104	Total_Formal_Charge	0
37768	Total_Formal_Charge	0
5283739	Undefined_Bond_Stereo_Count	0
45257	Molecular_Weight	291.4
6437064	Non-hydrogen_Atom_Count	50
69089	Undefined_Atom_Stereo_Count	0
70912	Molecular_Weight	173.21
65667	TPSA	118
81056	Undefined_Bond_Stereo_Count	0
18430	Hydrogen_Bond_Acceptor_Count	1
135403630	Mono_Isotopic_Weight	247.10692467
5326971	Undefined_Bond_Stereo_Count	0
593919	TPSA	50.2
135408752	Mono_Isotopic_Weight	440.07905542
9827529	Defined_Atom_Stereo_Count	0
2810830	Isotope_Atom_Count	0
5830	Rotatable_Bond_Count	3
135410875	Hydrogen_Bond_Acceptor_Count	7
16210995	TPSA	74.4
245	Structure_Complexity	480
3533588	Defined_Bond_Stereo_Count	0
4284331	Undefined_Atom_Stereo_Count	1
12313776	Undefined_Atom_Stereo_Count	0
70838	Isotope_Atom_Count	0
14967651	TPSA	17.1
129738943	Mono_Isotopic_Weight	107.048347172
249006	Non-hydrogen_Atom_Count	8
57392964	Mono_Isotopic_Weight	454.16747650
54375073	Covalent_Unit_Count	1
135476770	Hydrogen_Bond_Donor_Count	6
643208	Rotatable_Bond_Count	6
102360081	Hydrogen_Bond_Donor_Count	1
127527	Isotope_Atom_Count	0
48346	Non-hydrogen_Atom_Count	15
102233552	Total_Formal_Charge	0
14280898	Hydrogen_Bond_Acceptor_Count	2
10510831	TPSA	27
54323317	Exact_Mass	303.14705815
3939	Non-hydrogen_Atom_Count	2
125461707	Undefined_Bond_Stereo_Count	0
101859897	Hydrogen_Bond_Donor_Count	3
11147674	Undefined_Bond_Stereo_Count	0
147246726	Undefined_Atom_Stereo_Count	3
39484	Undefined_Atom_Stereo_Count	0
53259022	Non-hydrogen_Atom_Count	38
70696865	Non-hydrogen_Atom_Count	31
129746471	Exact_Mass	96.021129366
7508	Mono_Isotopic_Weight	110.073164938
44404643	Total_Formal_Charge	0
6504	Structure_Complexity	395
7011	Exact_Mass	163.099714038
5250834	Hydrogen_Bond_Acceptor_Count	0
67172	Tautomer_Count	45
6947362	Mono_Isotopic_Weight	322.168127949
4936	Structure_Complexity	454
720471	XLogP3	0
3364777	Structure_Complexity	72.8
14907580	Defined_Atom_Stereo_Count	0
10360656	Hydrogen_Bond_Donor_Count	1
445929	Total_Formal_Charge	0
49864766	Undefined_Atom_Stereo_Count	0
418296	Exact_Mass	831.112418
11508600	Mono_Isotopic_Weight	352.12232057
33786	TPSA	131
24598	Covalent_Unit_Count	4
688563	Hydrogen_Bond_Acceptor_Count	4
56910	Undefined_Bond_Stereo_Count	0
23338787	Total_Formal_Charge	0
72734520	Non-hydrogen_Atom_Count	36
688570	Structure_Complexity	284
135398559	Hydrogen_Bond_Acceptor_Count	10
23680486	Hydrogen_Bond_Acceptor_Count	5
656685	Structure_Complexity	665
351917	Covalent_Unit_Count	1
142559332	Undefined_Atom_Stereo_Count	0
138950	Covalent_Unit_Count	1
547995	Exact_Mass	102.115698455
160419	TPSA	80.3
11636	Non-hydrogen_Atom_Count	27
44093	Defined_Bond_Stereo_Count	0
71740	Non-hydrogen_Atom_Count	26
36020	Covalent_Unit_Count	1
74861	TPSA	0
11009	Total_Formal_Charge	0
58852839	XLogP3-AA	0.2
25023858	Structure_Complexity	702
96132	Covalent_Unit_Count	1
54133029	Exact_Mass	113.047678466
71584056	Exact_Mass	455.19911098
5312115	Tautomer_Count	1
162636	Non-hydrogen_Atom_Count	11
6364575	Mono_Isotopic_Weight	388.1706265
10102	Molecular_Weight	204.35
44230575	XLogP3-AA	1.8
22203	Defined_Bond_Stereo_Count	0
589209	Hydrogen_Bond_Donor_Count	0
154982320	Hydrogen_Bond_Donor_Count	0
7215	Exact_Mass	264.07886217
10887835	Hydrogen_Bond_Acceptor_Count	1
62495	Mono_Isotopic_Weight	325.16779360
92897	Molecular_Weight	414.4
4874	Hydrogen_Bond_Acceptor_Count	5
59295994	Covalent_Unit_Count	1
14120104	Structure_Complexity	78.2
11749858	Defined_Bond_Stereo_Count	0
57396149	Rotatable_Bond_Count	7
66908	Covalent_Unit_Count	1
12346042	Structure_Complexity	43.7
4068	Exact_Mass	706.84518
317543	Hydrogen_Bond_Acceptor_Count	1
20543	Exact_Mass	456.045747
3625248	Rotatable_Bond_Count	0
121922	Covalent_Unit_Count	1
160944	Defined_Bond_Stereo_Count	0
58064	Defined_Atom_Stereo_Count	0
6436079	XLogP3	6.2
200213	Total_Formal_Charge	0
5228468	Non-hydrogen_Atom_Count	10
298082	Undefined_Atom_Stereo_Count	3
15034633	Covalent_Unit_Count	1
14940	Total_Formal_Charge	0
93375	Hydrogen_Bond_Acceptor_Count	1
25079425	Total_Formal_Charge	0
176077	Non-hydrogen_Atom_Count	11
2734664	Hydrogen_Bond_Acceptor_Count	1
24229456	TPSA	49.8
122738	TPSA	221
11151622	Defined_Bond_Stereo_Count	1
56843898	Defined_Atom_Stereo_Count	0
170813	Isotope_Atom_Count	0
31352	Structure_Complexity	153
129675901	Defined_Bond_Stereo_Count	0
5280757	Molecular_Weight	905.0
50944	Molecular_Weight	245.25
261501	Covalent_Unit_Count	2
6917779	Molecular_Weight	246.35
2132	Molecular_Weight	378.10
53424628	Hydrogen_Bond_Donor_Count	1
77763	Defined_Bond_Stereo_Count	0
6293	Mono_Isotopic_Weight	240.04225873
79809	Undefined_Bond_Stereo_Count	0
6918141	Covalent_Unit_Count	1
47750	Undefined_Bond_Stereo_Count	0
362	Total_Formal_Charge	0
749	Hydrogen_Bond_Donor_Count	8
52021	Hydrogen_Bond_Donor_Count	1
73640	Covalent_Unit_Count	1
156587369	Defined_Atom_Stereo_Count	31
216247	Isotope_Atom_Count	0
21655019	Undefined_Bond_Stereo_Count	0
67338	Isotope_Atom_Count	0
714937	XLogP3-AA	3.8
21868057	Molecular_Weight	96.17
91805	Total_Formal_Charge	0
17593	Hydrogen_Bond_Acceptor_Count	2
164512	Isotope_Atom_Count	0
168625	Rotatable_Bond_Count	2
3179255	Hydrogen_Bond_Acceptor_Count	4
3036703	Defined_Bond_Stereo_Count	0
13466096	Total_Formal_Charge	0
8370	Exact_Mass	283.810166
5288799	Total_Formal_Charge	0
201618	Structure_Complexity	176
17904650	Total_Formal_Charge	0
134694829	Hydrogen_Bond_Acceptor_Count	11
160332	Defined_Atom_Stereo_Count	0
129073603	Hydrogen_Bond_Acceptor_Count	9
124933	Undefined_Atom_Stereo_Count	1
16680	TPSA	52.6
51082	Undefined_Bond_Stereo_Count	0
135398514	Undefined_Bond_Stereo_Count	0
137348324	Total_Formal_Charge	0
447555	TPSA	134
141048867	Isotope_Atom_Count	0
16741878	Rotatable_Bond_Count	15
10648	Hydrogen_Bond_Acceptor_Count	1
9823224	Molecular_Weight	416.6
90409366	Defined_Atom_Stereo_Count	1
21896450	Total_Formal_Charge	0
25052652	Defined_Atom_Stereo_Count	1
16661549	Total_Formal_Charge	0
176595	Exact_Mass	616.04674
91100506	Structure_Complexity	75.3
24808640	Total_Formal_Charge	0
6440183	Molecular_Weight	175.18
73238	Defined_Bond_Stereo_Count	0
6399650	TPSA	75.7
24760653	Rotatable_Bond_Count	5
11126230	TPSA	29.5
8478	TPSA	18.5
87664346	Covalent_Unit_Count	1
72326	Structure_Complexity	786
456389	Defined_Bond_Stereo_Count	0
20062234	Rotatable_Bond_Count	0
541660	Covalent_Unit_Count	1
193581	Isotope_Atom_Count	0
11673085	Mono_Isotopic_Weight	231.0581549
10335364	Total_Formal_Charge	0
34794	Defined_Atom_Stereo_Count	1
84998	Total_Formal_Charge	0
9915861	Undefined_Bond_Stereo_Count	0
6324599	Structure_Complexity	1610
69275	Tautomer_Count	1
62380	Molecular_Weight	342.5
89512131	Molecular_Weight	371.8
12479	XLogP3	1.2
398740	Defined_Bond_Stereo_Count	0
32316	TPSA	41.9
413519	Total_Formal_Charge	1
57892450	Hydrogen_Bond_Donor_Count	1
25849	Hydrogen_Bond_Acceptor_Count	2
46869955	Non-hydrogen_Atom_Count	29
59856471	Mono_Isotopic_Weight	757.37204952
5288595	Defined_Atom_Stereo_Count	0
550030	Exact_Mass	138.104465066
44563066	TPSA	84.7
20705517	Defined_Bond_Stereo_Count	0
45356872	Defined_Bond_Stereo_Count	0
5184	Tautomer_Count	1
16395904	Isotope_Atom_Count	0
159563	Exact_Mass	392.15968852
5459830	Undefined_Bond_Stereo_Count	0
9738	Covalent_Unit_Count	1
73376	Exact_Mass	207.03877100
21447199	Hydrogen_Bond_Acceptor_Count	1
32345	Isotope_Atom_Count	0
11173546	Non-hydrogen_Atom_Count	21
13848132	Undefined_Bond_Stereo_Count	0
21058180	Hydrogen_Bond_Donor_Count	0
3230	Mono_Isotopic_Weight	470.33960994
2723772	Tautomer_Count	3
18757800	Isotope_Atom_Count	0
65774	Rotatable_Bond_Count	1
138115739	Hydrogen_Bond_Donor_Count	12
26442	TPSA	38.3
456199	Rotatable_Bond_Count	4
21876618	Undefined_Atom_Stereo_Count	0
5463134	Exact_Mass	100.052429494
736530	Hydrogen_Bond_Donor_Count	0
139588352	Rotatable_Bond_Count	12
44560808	Covalent_Unit_Count	1
162404783	Isotope_Atom_Count	0
68321900	Exact_Mass	365.17394160
129729130	Non-hydrogen_Atom_Count	34
69568	Structure_Complexity	106
5281609	Undefined_Atom_Stereo_Count	0
5311346	Undefined_Atom_Stereo_Count	0
70693582	Isotope_Atom_Count	0
71335	Hydrogen_Bond_Acceptor_Count	7
8697	Covalent_Unit_Count	1
6124212	Undefined_Atom_Stereo_Count	4
12161	Mono_Isotopic_Weight	118.078250319
99477	Tautomer_Count	3
8510	TPSA	80
59525132	XLogP3-AA	0.1
7181	XLogP3	1
29647	Undefined_Bond_Stereo_Count	0
92406	Non-hydrogen_Atom_Count	20
5288783	Mono_Isotopic_Weight	412.29774513
5984	Rotatable_Bond_Count	5
6795	Rotatable_Bond_Count	0
90769054	XLogP3-AA	0.3
22308	Structure_Complexity	404
72322	Structure_Complexity	502
3081304	Defined_Bond_Stereo_Count	0
24414	TPSA	88.6
135410917	Undefined_Atom_Stereo_Count	0
89353	Total_Formal_Charge	0
2723715	Covalent_Unit_Count	3
23087	Undefined_Atom_Stereo_Count	0
57341	Exact_Mass	298.14297583
124222212	Rotatable_Bond_Count	3
134688669	XLogP3-AA	4.5
29927142	Hydrogen_Bond_Donor_Count	2
17455	Structure_Complexity	791
596	Non-hydrogen_Atom_Count	17
55296078	Rotatable_Bond_Count	1
10833710	Tautomer_Count	9
8365	Defined_Atom_Stereo_Count	0
21894763	Covalent_Unit_Count	1
9047	Total_Formal_Charge	0
56995913	Defined_Bond_Stereo_Count	0
78324	Rotatable_Bond_Count	4
141849	Undefined_Bond_Stereo_Count	0
18380143	Covalent_Unit_Count	1
10133	Rotatable_Bond_Count	4
12412266	Hydrogen_Bond_Donor_Count	0
21470197	Isotope_Atom_Count	0
3015262	Exact_Mass	116.083729621
139291707	Exact_Mass	1137.4964
8906	Non-hydrogen_Atom_Count	18
14257662	Defined_Bond_Stereo_Count	0
58199	Structure_Complexity	329
56841934	Total_Formal_Charge	0
152274	Undefined_Bond_Stereo_Count	0
121749	Tautomer_Count	5
137326482	Covalent_Unit_Count	1
12656387	Structure_Complexity	128
10518	Structure_Complexity	406
906	Mono_Isotopic_Weight	309.10598118
19998	Structure_Complexity	225
14057	Defined_Atom_Stereo_Count	0
6917662	Rotatable_Bond_Count	3
9015	Covalent_Unit_Count	1
556485	Mono_Isotopic_Weight	112.088815002
62325	Exact_Mass	106.0185425
469	Covalent_Unit_Count	1
312915	Exact_Mass	473.24135246
7172302	Defined_Bond_Stereo_Count	0
23665765	Structure_Complexity	256
80009	TPSA	21.9
130429734	Undefined_Bond_Stereo_Count	0
8101	Undefined_Bond_Stereo_Count	0
2724588	Isotope_Atom_Count	0
71321	Undefined_Bond_Stereo_Count	0
141080616	Defined_Atom_Stereo_Count	0
54270986	Molecular_Weight	340.3
7221	Structure_Complexity	101
12256	Covalent_Unit_Count	1
15644502	Defined_Atom_Stereo_Count	0
70014	Exact_Mass	189.00380189
46861612	Non-hydrogen_Atom_Count	30
21864560	Molecular_Weight	1213.4
23328892	Molecular_Weight	114.14
12310	Defined_Bond_Stereo_Count	0
967	Defined_Atom_Stereo_Count	0
139488	TPSA	17.1
5481173	XLogP3	0.4
42095	Hydrogen_Bond_Donor_Count	0
17563	Covalent_Unit_Count	1
11520759	Hydrogen_Bond_Acceptor_Count	12
24729333	XLogP3-AA	1.5
38756	Molecular_Weight	114.19
71643	Undefined_Bond_Stereo_Count	0
117926	Mono_Isotopic_Weight	115.99320054
98650	Defined_Bond_Stereo_Count	0
26560	XLogP3-AA	4.1
33778657	Hydrogen_Bond_Acceptor_Count	4
70697627	Defined_Bond_Stereo_Count	0
10709065	Defined_Bond_Stereo_Count	2
60155184	Undefined_Atom_Stereo_Count	0
968688	Isotope_Atom_Count	0
115116	Hydrogen_Bond_Acceptor_Count	3
61141	Defined_Atom_Stereo_Count	0
284024	Isotope_Atom_Count	0
58492	Hydrogen_Bond_Donor_Count	2
71456042	Exact_Mass	484.13042228
12597	Rotatable_Bond_Count	0
446	XLogP3-AA	2.2
26898	Undefined_Bond_Stereo_Count	0
156614100	Non-hydrogen_Atom_Count	22
705715	Defined_Bond_Stereo_Count	0
440707	Molecular_Weight	346.5
131125742	Hydrogen_Bond_Donor_Count	1
11843834	Defined_Atom_Stereo_Count	0
120737	Molecular_Weight	297.82
61012	Hydrogen_Bond_Donor_Count	0
5777	Covalent_Unit_Count	1
24462	TPSA	88.6
88800	Undefined_Bond_Stereo_Count	0
24848788	Undefined_Bond_Stereo_Count	0
76189844	Structure_Complexity	724
6328657	Undefined_Atom_Stereo_Count	0
53763274	Mono_Isotopic_Weight	94.078250319
3087722	Undefined_Atom_Stereo_Count	0
72474	Hydrogen_Bond_Donor_Count	2
16005120	Molecular_Weight	93.13
16796	Covalent_Unit_Count	1
44149909	Mono_Isotopic_Weight	691.39449905
461	Hydrogen_Bond_Donor_Count	0
68975085	Hydrogen_Bond_Donor_Count	2
69188	Defined_Bond_Stereo_Count	0
22817	Undefined_Atom_Stereo_Count	0
1550489	Non-hydrogen_Atom_Count	7
12497740	Rotatable_Bond_Count	2
121893	Undefined_Bond_Stereo_Count	0
143588	Undefined_Bond_Stereo_Count	0
4592	Molecular_Weight	298.34
78566	Isotope_Atom_Count	0
13855	Defined_Bond_Stereo_Count	0
719625	TPSA	37.3
5293	Undefined_Atom_Stereo_Count	4
136585	Exact_Mass	106.078250319
5037	Covalent_Unit_Count	1
87485	Undefined_Bond_Stereo_Count	0
443404	Rotatable_Bond_Count	0
79619	TPSA	30
90202	Non-hydrogen_Atom_Count	15
71776101	Covalent_Unit_Count	1
40467016	Hydrogen_Bond_Donor_Count	1
136048918	Total_Formal_Charge	0
131801066	Defined_Bond_Stereo_Count	0
855556	Non-hydrogen_Atom_Count	20
21059	Mono_Isotopic_Weight	140.047344113
80779	Hydrogen_Bond_Donor_Count	2
11283	Undefined_Atom_Stereo_Count	0
28145921	Rotatable_Bond_Count	9
12453026	Undefined_Bond_Stereo_Count	0
3342768	Hydrogen_Bond_Acceptor_Count	13
9548696	Molecular_Weight	52.07
5319422	Hydrogen_Bond_Donor_Count	2
2794575	Isotope_Atom_Count	0
141082	Total_Formal_Charge	0
65495	Exact_Mass	458.997796
349713	Isotope_Atom_Count	0
1100	Covalent_Unit_Count	1
54178371	Molecular_Weight	99.13
20230230	Undefined_Atom_Stereo_Count	0
18626415	Isotope_Atom_Count	0
62787	Rotatable_Bond_Count	4
5765	Tautomer_Count	1
13601826	Undefined_Atom_Stereo_Count	1
10534635	TPSA	27
18924037	Covalent_Unit_Count	1
91819969	XLogP3-AA	0.6
13707	Undefined_Bond_Stereo_Count	1
157903531	Undefined_Bond_Stereo_Count	0
10141893	Defined_Atom_Stereo_Count	0
74089	Rotatable_Bond_Count	4
71272	Exact_Mass	392.02910
6651	Structure_Complexity	155
29215	XLogP3-AA	2.9
131238	Total_Formal_Charge	0
63245	Undefined_Bond_Stereo_Count	0
439168	Exact_Mass	169.99802494
13908	Non-hydrogen_Atom_Count	15
10064061	Defined_Atom_Stereo_Count	2
23268532	Defined_Atom_Stereo_Count	0
527855	TPSA	12.5
135495951	Exact_Mass	88.027277375
54585642	Total_Formal_Charge	0
82418990	Mono_Isotopic_Weight	111.043261792
53956489	XLogP3-AA	0.3
6538	Molecular_Weight	430.9
10197646	Defined_Bond_Stereo_Count	0
66219	Isotope_Atom_Count	0
139087394	Mono_Isotopic_Weight	492.18479
54060	Hydrogen_Bond_Donor_Count	0
13992155	Rotatable_Bond_Count	11
26204	Hydrogen_Bond_Acceptor_Count	2
44120140	TPSA	113
135527764	Hydrogen_Bond_Acceptor_Count	4
55244	Undefined_Atom_Stereo_Count	0
43994	Mono_Isotopic_Weight	242.0822054
89248	Non-hydrogen_Atom_Count	23
21932619	Hydrogen_Bond_Acceptor_Count	10
2496	Tautomer_Count	2
165600653	Isotope_Atom_Count	0
123415454	Covalent_Unit_Count	1
6538999	Mono_Isotopic_Weight	485.1385304
13445117	Hydrogen_Bond_Acceptor_Count	2
4849	Structure_Complexity	564
123690360	Defined_Atom_Stereo_Count	0
11765960	Structure_Complexity	1560
108144	Hydrogen_Bond_Donor_Count	2
4454009	Defined_Bond_Stereo_Count	0
8821	Hydrogen_Bond_Donor_Count	0
12375523	Undefined_Bond_Stereo_Count	0
70516989	Hydrogen_Bond_Donor_Count	1
22385728	Hydrogen_Bond_Acceptor_Count	1
2733514	TPSA	134
59072033	Undefined_Atom_Stereo_Count	1
26731	Covalent_Unit_Count	1
21702822	Hydrogen_Bond_Acceptor_Count	1
24848283	Hydrogen_Bond_Acceptor_Count	5
31072	Undefined_Bond_Stereo_Count	0
8411	Exact_Mass	244.121177757
96929	Exact_Mass	217.110278721
65664	Covalent_Unit_Count	1
16134409	Isotope_Atom_Count	0
87279974	Structure_Complexity	96
130055354	Undefined_Bond_Stereo_Count	0
21255244	Hydrogen_Bond_Acceptor_Count	3
5879	Isotope_Atom_Count	0
756126	Hydrogen_Bond_Donor_Count	0
101642132	Isotope_Atom_Count	0
122163231	Mono_Isotopic_Weight	108.99862027
2218	Covalent_Unit_Count	1
3653077	Structure_Complexity	432
25273609	Molecular_Weight	388.9
133728	Hydrogen_Bond_Donor_Count	2
131720661	Mono_Isotopic_Weight	228.06338810
54006622	Molecular_Weight	112.17
390986	Defined_Atom_Stereo_Count	0
129752646	Mono_Isotopic_Weight	395.16904453
1335	Molecular_Weight	133.15
21123040	Hydrogen_Bond_Donor_Count	4
102351	Covalent_Unit_Count	1
57395447	TPSA	93.8
54383554	TPSA	0
23673604	Non-hydrogen_Atom_Count	24
131747	Undefined_Atom_Stereo_Count	0
5353853	XLogP3-AA	6.1
518996	Defined_Bond_Stereo_Count	0
57515833	XLogP3-AA	2
11865410	Isotope_Atom_Count	0
46244173	Hydrogen_Bond_Donor_Count	1
62995	Hydrogen_Bond_Acceptor_Count	7
619387	Undefined_Atom_Stereo_Count	1
89159	XLogP3-AA	1.6
6440728	TPSA	50.9
3829279	Isotope_Atom_Count	0
75921	Non-hydrogen_Atom_Count	16
17855362	Hydrogen_Bond_Acceptor_Count	2
962001	Rotatable_Bond_Count	4
132327702	Defined_Atom_Stereo_Count	0
18345891	Total_Formal_Charge	0
6141	Defined_Bond_Stereo_Count	0
4679699	Isotope_Atom_Count	0
12661198	TPSA	25.1
3055168	Hydrogen_Bond_Acceptor_Count	6
2775149	Covalent_Unit_Count	2
69488	Defined_Atom_Stereo_Count	0
33311	Non-hydrogen_Atom_Count	21
446987	Defined_Bond_Stereo_Count	0
91276	Total_Formal_Charge	0
81006	Covalent_Unit_Count	1
15405197	TPSA	6.5
82259	Isotope_Atom_Count	0
17960143	Structure_Complexity	70
87280891	Hydrogen_Bond_Donor_Count	5
16659841	Hydrogen_Bond_Donor_Count	3
68074148	Structure_Complexity	94.7
118142807	Exact_Mass	126.042927438
10454	XLogP3-AA	1.3
177084	Isotope_Atom_Count	0
9774	XLogP3	0.7
75657	Exact_Mass	127.099714038
168120	Tautomer_Count	3
126569786	Hydrogen_Bond_Acceptor_Count	12
54493752	XLogP3-AA	1.1
23981	Molecular_Weight	151.964
4162	TPSA	46.2
94335	Total_Formal_Charge	0
5	Hydrogen_Bond_Donor_Count	3
16836	Hydrogen_Bond_Acceptor_Count	5
46910592	Undefined_Atom_Stereo_Count	0
135510215	Hydrogen_Bond_Acceptor_Count	5
8112	Isotope_Atom_Count	0
10496	Structure_Complexity	357
11741	Hydrogen_Bond_Donor_Count	2
76538	Exact_Mass	337.941786
240534	Defined_Atom_Stereo_Count	0
72765870	Hydrogen_Bond_Donor_Count	0
44521022	TPSA	72.4
67356	Mono_Isotopic_Weight	509.1282236
146679386	Hydrogen_Bond_Donor_Count	12
227541	TPSA	51.8
443928	XLogP3	2.5
5282209	TPSA	120
124204086	Defined_Bond_Stereo_Count	0
169148	Exact_Mass	202.14297583
15269993	Isotope_Atom_Count	0
3017320	Defined_Bond_Stereo_Count	0
23677058	Structure_Complexity	384
156592059	Exact_Mass	895.04440356
445114	Undefined_Atom_Stereo_Count	0
6125183	TPSA	107
77996	Mono_Isotopic_Weight	416.32904526
636398	Defined_Bond_Stereo_Count	0
69333963	Exact_Mass	112.063662883
101661938	Exact_Mass	662.10129752
96476	Hydrogen_Bond_Acceptor_Count	1
7673	Undefined_Bond_Stereo_Count	0
21922314	Defined_Atom_Stereo_Count	0
54507095	Non-hydrogen_Atom_Count	8
49867832	Undefined_Bond_Stereo_Count	0
41019	Isotope_Atom_Count	0
75691	Hydrogen_Bond_Donor_Count	0
53642689	Total_Formal_Charge	0
66711	Exact_Mass	238.134422523
38200	Mono_Isotopic_Weight	439.745736
63974	Exact_Mass	404.14845513
129627802	Mono_Isotopic_Weight	842.51400504
25607	Hydrogen_Bond_Acceptor_Count	0
90987052	Hydrogen_Bond_Acceptor_Count	0
3328	Defined_Atom_Stereo_Count	0
5299	Rotatable_Bond_Count	6
115235	Covalent_Unit_Count	2
139113917	Exact_Mass	576.15109601
99271	XLogP3-AA	1.9
50993724	Defined_Bond_Stereo_Count	0
134693315	XLogP3	1.4
33334	Hydrogen_Bond_Acceptor_Count	4
443101	Tautomer_Count	208
13483371	Isotope_Atom_Count	0
441113	XLogP3-AA	1.8
122639	Tautomer_Count	36
70919851	Isotope_Atom_Count	0
2777993	Isotope_Atom_Count	0
12383043	Defined_Atom_Stereo_Count	0
135925739	Defined_Atom_Stereo_Count	9
23630065	Defined_Atom_Stereo_Count	0
124605129	Covalent_Unit_Count	1
156358	Defined_Atom_Stereo_Count	0
21800	Undefined_Atom_Stereo_Count	0
71312582	Isotope_Atom_Count	62
13519	XLogP3-AA	1.3
58098237	Undefined_Bond_Stereo_Count	0
11325	Hydrogen_Bond_Acceptor_Count	2
46964	Non-hydrogen_Atom_Count	16
123489618	Structure_Complexity	117
71461541	Hydrogen_Bond_Acceptor_Count	6
2515	Tautomer_Count	6
6919173	Hydrogen_Bond_Donor_Count	3
10664	Undefined_Atom_Stereo_Count	0
561488	Molecular_Weight	106.16
101821020	Covalent_Unit_Count	2
668601	Isotope_Atom_Count	0
44377662	Non-hydrogen_Atom_Count	115
638678	Defined_Bond_Stereo_Count	0
3727	Hydrogen_Bond_Donor_Count	1
6957671	Covalent_Unit_Count	1
4498	Mono_Isotopic_Weight	129.078978594
2781329	Isotope_Atom_Count	0
587	Structure_Complexity	271
69132	Non-hydrogen_Atom_Count	11
1473603	Rotatable_Bond_Count	4
5281670	Structure_Complexity	488
4676	Total_Formal_Charge	0
160817	Mono_Isotopic_Weight	238.062994177
3001055	Structure_Complexity	347
12660241	Isotope_Atom_Count	0
8778	Hydrogen_Bond_Donor_Count	1
10271	Total_Formal_Charge	0
1476679	Molecular_Weight	333.4
2187	Molecular_Weight	293.4
16622	XLogP3-AA	3.3
40466968	Defined_Atom_Stereo_Count	1
57340472	Isotope_Atom_Count	0
117291	Hydrogen_Bond_Acceptor_Count	4
12548640	Hydrogen_Bond_Acceptor_Count	2
13871872	Undefined_Bond_Stereo_Count	0
75657	Molecular_Weight	127.18
13000143	Non-hydrogen_Atom_Count	6
68526	Undefined_Bond_Stereo_Count	0
657180	Undefined_Bond_Stereo_Count	0
59742	Hydrogen_Bond_Acceptor_Count	7
11278075	Undefined_Bond_Stereo_Count	0
133478	Mono_Isotopic_Weight	284.131348519
123208701	Mono_Isotopic_Weight	99.104799419
14743344	TPSA	51.8
4149208	Mono_Isotopic_Weight	199.169804972
9578	Structure_Complexity	150
29935	Defined_Atom_Stereo_Count	0
5376	Mono_Isotopic_Weight	371.224914549
92246	Undefined_Atom_Stereo_Count	0
58095461	Non-hydrogen_Atom_Count	7
1980698	Structure_Complexity	346
83478541	TPSA	26.3
4580	Hydrogen_Bond_Donor_Count	3
4475481	Exact_Mass	447.1228804
565082	TPSA	40.5
21791633	Structure_Complexity	129
68163	Covalent_Unit_Count	1
61948	Mono_Isotopic_Weight	263.88977
141445129	Total_Formal_Charge	0
131714458	Mono_Isotopic_Weight	395.03581088
54367722	Hydrogen_Bond_Acceptor_Count	2
13000	Tautomer_Count	1
121763	XLogP3-AA	1
13574480	Isotope_Atom_Count	0
11768718	Mono_Isotopic_Weight	147.03539970
42790	Total_Formal_Charge	0
13770	Mono_Isotopic_Weight	323.1440774
25011	TPSA	18.5
6842999	Undefined_Atom_Stereo_Count	1
21057641	Covalent_Unit_Count	1
25134692	Isotope_Atom_Count	0
24769	Defined_Bond_Stereo_Count	0
68505	Structure_Complexity	28
65067	Non-hydrogen_Atom_Count	15
1211	XLogP3-AA	6
124636142	Total_Formal_Charge	0
302	Exact_Mass	406.27192431
84871	Exact_Mass	466.111476
107676	Covalent_Unit_Count	3
6464	Rotatable_Bond_Count	3
60165656	XLogP3-AA	3
164675904	Hydrogen_Bond_Acceptor_Count	2
54613184	Hydrogen_Bond_Acceptor_Count	10
64992139	Isotope_Atom_Count	0
74370	Non-hydrogen_Atom_Count	57
9806063	Non-hydrogen_Atom_Count	34
76963834	Defined_Bond_Stereo_Count	0
123187306	Rotatable_Bond_Count	1
48956	Total_Formal_Charge	0
17754111	Structure_Complexity	225
22149470	Molecular_Weight	100.16
13157914	Molecular_Weight	120.15
686703	Hydrogen_Bond_Acceptor_Count	3
122824	Covalent_Unit_Count	2
64033	TPSA	59.4
11380	Molecular_Weight	257.76
10035228	Molecular_Weight	181.15
2044	XLogP3-AA	4
9901946	Covalent_Unit_Count	1
3033992	Undefined_Atom_Stereo_Count	0
6918267	Mono_Isotopic_Weight	755.48197664
11658860	Molecular_Weight	195.69
25215	Exact_Mass	288.1029409
8752	Mono_Isotopic_Weight	396.0701697
9570985	Rotatable_Bond_Count	7
5284645	Defined_Bond_Stereo_Count	1
201412	Structure_Complexity	458
115087054	Total_Formal_Charge	0
4787	TPSA	64.5
25127112	Mono_Isotopic_Weight	404.13619017
23161665	Undefined_Atom_Stereo_Count	2
34549	Covalent_Unit_Count	1
22753628	Structure_Complexity	106
59774	Defined_Atom_Stereo_Count	0
156970	Undefined_Bond_Stereo_Count	0
11055399	Undefined_Bond_Stereo_Count	0
54793	XLogP3-AA	3.8
321	Defined_Atom_Stereo_Count	0
3340152	Defined_Atom_Stereo_Count	0
15096	Isotope_Atom_Count	0
70678590	Molecular_Weight	1355.4
71625031	Mono_Isotopic_Weight	487.22711999
6131	Total_Formal_Charge	0
19845539	Rotatable_Bond_Count	0
45085092	Isotope_Atom_Count	0
49831162	Total_Formal_Charge	0
72809410	Covalent_Unit_Count	1
25106	Defined_Atom_Stereo_Count	0
18980	XLogP3-AA	0.5
21324831	Defined_Atom_Stereo_Count	0
60936	TPSA	146
119747	Hydrogen_Bond_Acceptor_Count	19
15990796	Isotope_Atom_Count	0
44338989	Defined_Atom_Stereo_Count	0
4970	Rotatable_Bond_Count	0
6918204	Hydrogen_Bond_Donor_Count	14
86248095	Hydrogen_Bond_Donor_Count	1
6140	Defined_Atom_Stereo_Count	1
86088606	Exact_Mass	112.052429494
20701649	Non-hydrogen_Atom_Count	7
8121	Undefined_Bond_Stereo_Count	0
1517	Non-hydrogen_Atom_Count	38
3034394	Non-hydrogen_Atom_Count	21
136237316	Mono_Isotopic_Weight	494.25292020
10035228	Exact_Mass	181.06674293
13433600	Hydrogen_Bond_Acceptor_Count	3
134564038	Total_Formal_Charge	0
357	Exact_Mass	217.903761
6267	Hydrogen_Bond_Acceptor_Count	4
94865124	Defined_Atom_Stereo_Count	16
7528	Total_Formal_Charge	0
644007	Undefined_Bond_Stereo_Count	0
6432591	Molecular_Weight	38.05
2843	Rotatable_Bond_Count	11
44229079	Defined_Bond_Stereo_Count	1
694052	Defined_Atom_Stereo_Count	1
77903	Hydrogen_Bond_Donor_Count	0
6321411	Non-hydrogen_Atom_Count	30
96665	Undefined_Atom_Stereo_Count	0
81829	Covalent_Unit_Count	1
5249080	Structure_Complexity	124
237859	Covalent_Unit_Count	1
9746	Defined_Bond_Stereo_Count	0
10384141	Non-hydrogen_Atom_Count	27
11978813	TPSA	73
5462	Rotatable_Bond_Count	7
2815	Total_Formal_Charge	0
15239355	Isotope_Atom_Count	0
60814	Molecular_Weight	412.9
160534	Molecular_Weight	102.09
94418	Mono_Isotopic_Weight	429.20121898
247673	Exact_Mass	545.19104822
46781459	Defined_Atom_Stereo_Count	4
13908	Defined_Bond_Stereo_Count	0
638116	Non-hydrogen_Atom_Count	7
13003788	Covalent_Unit_Count	1
31426	TPSA	80
12637622	Total_Formal_Charge	0
6786	Defined_Bond_Stereo_Count	0
11469055	Undefined_Bond_Stereo_Count	0
65079	Rotatable_Bond_Count	12
3842125	Covalent_Unit_Count	1
21908889	Defined_Atom_Stereo_Count	0
2209	Rotatable_Bond_Count	1
10887853	Defined_Bond_Stereo_Count	0
78157544	Total_Formal_Charge	0
16076883	Molecular_Weight	748.3
28030	Non-hydrogen_Atom_Count	8
497380	Defined_Atom_Stereo_Count	1
15568242	Structure_Complexity	62.7
157568	Non-hydrogen_Atom_Count	7
5484	Mono_Isotopic_Weight	275.08024189
14791281	Molecular_Weight	180.24
6918638	TPSA	104
89248	Defined_Atom_Stereo_Count	0
4788	Undefined_Bond_Stereo_Count	0
225	Defined_Bond_Stereo_Count	0
44410953	Covalent_Unit_Count	1
3811100	Defined_Bond_Stereo_Count	0
31593	Total_Formal_Charge	0
72200357	Undefined_Bond_Stereo_Count	0
18382	Hydrogen_Bond_Donor_Count	1
398637	Non-hydrogen_Atom_Count	28
142798	Structure_Complexity	112
13611194	Hydrogen_Bond_Donor_Count	0
106	Molecular_Weight	185.07
67106798	Defined_Bond_Stereo_Count	0
131740853	Total_Formal_Charge	0
117214253	Defined_Bond_Stereo_Count	0
17825297	Mono_Isotopic_Weight	110.109550447
11480401	Undefined_Bond_Stereo_Count	0
1795	Undefined_Atom_Stereo_Count	0
5281080	Structure_Complexity	1550
53290	XLogP3-AA	4.1
51375034	Defined_Bond_Stereo_Count	0
529268	Defined_Bond_Stereo_Count	0
5659	Rotatable_Bond_Count	15
77991437	Rotatable_Bond_Count	0
446308	Covalent_Unit_Count	1
135413504	XLogP3-AA	1.6
56841653	Defined_Bond_Stereo_Count	0
10659	Structure_Complexity	243
74680	Defined_Atom_Stereo_Count	0
9983746	Defined_Atom_Stereo_Count	0
21987711	Molecular_Weight	113.16
15908	Hydrogen_Bond_Acceptor_Count	3
91701	Defined_Atom_Stereo_Count	0
7265	Hydrogen_Bond_Donor_Count	2
91163310	Undefined_Bond_Stereo_Count	0
72683639	Mono_Isotopic_Weight	631.2692103
59036328	Covalent_Unit_Count	1
64692	Hydrogen_Bond_Donor_Count	1
23551636	Total_Formal_Charge	0
3811882	Undefined_Atom_Stereo_Count	0
9869218	Hydrogen_Bond_Donor_Count	2
43672	Undefined_Bond_Stereo_Count	0
136874	TPSA	29.1
93538	Tautomer_Count	1
50313	TPSA	99.1
172997	Defined_Bond_Stereo_Count	0
138673	XLogP3-AA	1.5
43961	Isotope_Atom_Count	0
15558252	Structure_Complexity	1410
12623293	XLogP3-AA	2.6
23674183	Covalent_Unit_Count	3
46877881	Hydrogen_Bond_Donor_Count	9
49778730	Molecular_Weight	448.5
36382	Total_Formal_Charge	0
20390093	Hydrogen_Bond_Donor_Count	0
14453671	Hydrogen_Bond_Acceptor_Count	1
11306073	Undefined_Atom_Stereo_Count	0
2837669	Structure_Complexity	261
711656	Rotatable_Bond_Count	0
296732	Mono_Isotopic_Weight	220.100048391
56928187	Hydrogen_Bond_Acceptor_Count	10
5378293	Isotope_Atom_Count	0
85909569	Defined_Bond_Stereo_Count	0
710762	Defined_Bond_Stereo_Count	0
196	Hydrogen_Bond_Donor_Count	2
116814	Total_Formal_Charge	0
66992840	Non-hydrogen_Atom_Count	19
71622	Undefined_Bond_Stereo_Count	0
8413	Exact_Mass	212.131348519
119259	Hydrogen_Bond_Donor_Count	3
14388239	Total_Formal_Charge	0
11829365	Covalent_Unit_Count	1
66901	Defined_Atom_Stereo_Count	0
968472	Undefined_Atom_Stereo_Count	0
9826744	Hydrogen_Bond_Donor_Count	1
4510	Molecular_Weight	227.09
5484727	Total_Formal_Charge	0
81923	Exact_Mass	128.083729621
29647	Exact_Mass	515.99670823
24763202	Undefined_Atom_Stereo_Count	0
14049689	Defined_Bond_Stereo_Count	0
13598997	Undefined_Atom_Stereo_Count	0
24750	Structure_Complexity	115
56954881	Isotope_Atom_Count	0
20693488	Isotope_Atom_Count	0
13268340	Mono_Isotopic_Weight	112.063662883
5362391	Undefined_Bond_Stereo_Count	0
135421392	Undefined_Bond_Stereo_Count	0
442636	Undefined_Bond_Stereo_Count	0
23689317	Rotatable_Bond_Count	3
14041	Undefined_Atom_Stereo_Count	0
61370	Undefined_Bond_Stereo_Count	1
11967214	Defined_Atom_Stereo_Count	0
12542141	Defined_Atom_Stereo_Count	0
5084	Mono_Isotopic_Weight	452.22122615
132095682	Hydrogen_Bond_Acceptor_Count	3
57827330	Exact_Mass	437.11333049
82718360	Non-hydrogen_Atom_Count	8
7694	Defined_Atom_Stereo_Count	0
27323	Hydrogen_Bond_Acceptor_Count	2
444655	Non-hydrogen_Atom_Count	9
57173187	Total_Formal_Charge	0
6520	Undefined_Atom_Stereo_Count	0
489	Hydrogen_Bond_Acceptor_Count	9
78960	Hydrogen_Bond_Acceptor_Count	1
77554	Structure_Complexity	302
522007	XLogP3-AA	1.8
298107	Rotatable_Bond_Count	11
72899	Total_Formal_Charge	0
11423561	Hydrogen_Bond_Acceptor_Count	1
197148	Undefined_Atom_Stereo_Count	0
75771	Non-hydrogen_Atom_Count	10
537142	TPSA	12.5
100934359	Structure_Complexity	96.4
5282387	Molecular_Weight	370.59
457825	Structure_Complexity	979
154489025	Undefined_Bond_Stereo_Count	1
66950	TPSA	67.5
97120	Undefined_Bond_Stereo_Count	0
123870986	Non-hydrogen_Atom_Count	7
5288193	Covalent_Unit_Count	1
67174361	Structure_Complexity	108
87517	Isotope_Atom_Count	0
126505488	Molecular_Weight	284.35
32049	Covalent_Unit_Count	1
4469994	Hydrogen_Bond_Acceptor_Count	5
70692775	Isotope_Atom_Count	0
9089	TPSA	18.5
5475	Undefined_Atom_Stereo_Count	0
9868452	Defined_Atom_Stereo_Count	2
13600041	XLogP3-AA	1.6
1099	Undefined_Bond_Stereo_Count	0
45270802	Isotope_Atom_Count	0
15273943	Mono_Isotopic_Weight	112.052429494
8197	Defined_Atom_Stereo_Count	0
14911569	Molecular_Weight	100.12
146993530	Undefined_Atom_Stereo_Count	3
17905	Hydrogen_Bond_Acceptor_Count	1
222697	Structure_Complexity	77.7
138106574	XLogP3-AA	2.1
16270	Rotatable_Bond_Count	2
57796	Hydrogen_Bond_Donor_Count	2
5577	TPSA	69.3
62719	TPSA	31
10722	Undefined_Atom_Stereo_Count	0
11181	Isotope_Atom_Count	0
11055399	Tautomer_Count	2
282471	Isotope_Atom_Count	0
17861	Undefined_Atom_Stereo_Count	0
5284580	Exact_Mass	968.49808019
53486170	Defined_Bond_Stereo_Count	0
629281	TPSA	105
20266	Hydrogen_Bond_Acceptor_Count	4
9960	Defined_Bond_Stereo_Count	0
55250	TPSA	87.9
2051	Undefined_Bond_Stereo_Count	0
11970447	Exact_Mass	352.2029893
151255	Molecular_Weight	141.12
9989	XLogP3-AA	3.1
8176	Undefined_Atom_Stereo_Count	0
57397762	Undefined_Atom_Stereo_Count	0
57829	Isotope_Atom_Count	0
11170938	Hydrogen_Bond_Donor_Count	0
53881088	Undefined_Bond_Stereo_Count	0
398701	Defined_Bond_Stereo_Count	0
191510	Hydrogen_Bond_Acceptor_Count	2
4250936	XLogP3-AA	1
197581	Molecular_Weight	711.4
1268142	TPSA	17.1
15457	Structure_Complexity	43.3
135412736	Covalent_Unit_Count	1
25015692	Rotatable_Bond_Count	7
91395	Covalent_Unit_Count	1
172306	Rotatable_Bond_Count	7
521355	Hydrogen_Bond_Acceptor_Count	1
21343371	Mono_Isotopic_Weight	84.057514874
144946255	Rotatable_Bond_Count	1
101534	Mono_Isotopic_Weight	240.14739250
35343	Non-hydrogen_Atom_Count	10
22314	Covalent_Unit_Count	1
397	Structure_Complexity	205
3796640	Undefined_Bond_Stereo_Count	0
155346	Molecular_Weight	287.36
7201	Non-hydrogen_Atom_Count	10
114849	Isotope_Atom_Count	0
79241	Tautomer_Count	1
92162	Non-hydrogen_Atom_Count	5
85904477	Total_Formal_Charge	0
703036	Molecular_Weight	250.05
129669846	Defined_Bond_Stereo_Count	0
17506	Undefined_Atom_Stereo_Count	0
197083	Structure_Complexity	481
20192394	Non-hydrogen_Atom_Count	13
31265	Hydrogen_Bond_Acceptor_Count	2
18608	Molecular_Weight	208.26
22186211	Exact_Mass	100.052429494
153085381	TPSA	9.2
91156	Exact_Mass	328.240230259
34055	Rotatable_Bond_Count	6
5730	Hydrogen_Bond_Donor_Count	3
3500	Hydrogen_Bond_Acceptor_Count	5
60995	Isotope_Atom_Count	0
3045407	Tautomer_Count	1
777	Rotatable_Bond_Count	1
138510	Rotatable_Bond_Count	1
6490	XLogP3-AA	3.1
44560619	Covalent_Unit_Count	1
12940701	Rotatable_Bond_Count	7
12372	Molecular_Weight	111.18
5279171	Undefined_Bond_Stereo_Count	0
10831	Tautomer_Count	4
5284503	Covalent_Unit_Count	1
864969	Rotatable_Bond_Count	1
65575055	Defined_Bond_Stereo_Count	0
521962	XLogP3-AA	3.2
5464200	Exact_Mass	284.1291556
71391	Undefined_Bond_Stereo_Count	0
68576	Rotatable_Bond_Count	3
12613	XLogP3-AA	3.1
3237289	Undefined_Bond_Stereo_Count	0
85989631	XLogP3-AA	2.1
114869	Hydrogen_Bond_Acceptor_Count	4
446727	Structure_Complexity	450
134694856	Undefined_Bond_Stereo_Count	0
11480819	Mono_Isotopic_Weight	181.06674293
65067	Defined_Bond_Stereo_Count	0
6108	Exact_Mass	167.02185764
166957	Total_Formal_Charge	0
657004	Hydrogen_Bond_Acceptor_Count	5
49	TPSA	54.4
78377	Tautomer_Count	1
11703345	Undefined_Bond_Stereo_Count	0
46877881	Defined_Bond_Stereo_Count	0
11388558	Rotatable_Bond_Count	5
24871329	Exact_Mass	639.8696636
55472	Rotatable_Bond_Count	21
14923	Tautomer_Count	1
7058029	Exact_Mass	148.088815002
314282	Exact_Mass	268.146329876
5326637	Molecular_Weight	273.20
69173085	Non-hydrogen_Atom_Count	7
5881	Undefined_Atom_Stereo_Count	0
9859094	TPSA	0
79083	TPSA	40.5
157921	Exact_Mass	181.0505709
9984488	Covalent_Unit_Count	1
5324278	Defined_Atom_Stereo_Count	0
12576852	Molecular_Weight	112.13
62332	Exact_Mass	242.094294304
63198	Non-hydrogen_Atom_Count	19
12252708	Hydrogen_Bond_Donor_Count	2
398678	Defined_Atom_Stereo_Count	1
10701796	Defined_Atom_Stereo_Count	0
22486676	Non-hydrogen_Atom_Count	6
45259401	Hydrogen_Bond_Donor_Count	2
135391144	Defined_Atom_Stereo_Count	20
139920	Exact_Mass	116.120115130
85489	XLogP3-AA	13.9
49865783	Hydrogen_Bond_Acceptor_Count	2
10207842	Undefined_Atom_Stereo_Count	0
589863	Hydrogen_Bond_Donor_Count	0
9949641	Covalent_Unit_Count	1
179822	Undefined_Atom_Stereo_Count	0
280245	Mono_Isotopic_Weight	247.12084340
44431182	Hydrogen_Bond_Acceptor_Count	10
52944109	Molecular_Weight	415.4
3009363	Covalent_Unit_Count	1
91742	Defined_Atom_Stereo_Count	0
358299	Rotatable_Bond_Count	2
135413534	Defined_Atom_Stereo_Count	1
44456	Defined_Bond_Stereo_Count	0
86287525	Exact_Mass	353.0679523
121444434	Defined_Atom_Stereo_Count	0
1489495	Defined_Atom_Stereo_Count	0
524629	Undefined_Atom_Stereo_Count	2
11149862	Rotatable_Bond_Count	3
5206	Defined_Bond_Stereo_Count	0
6412	Structure_Complexity	104
454216	Structure_Complexity	1350
440995	TPSA	190
132500979	Hydrogen_Bond_Acceptor_Count	3
71517528	Covalent_Unit_Count	1
591200	Total_Formal_Charge	0
581	Defined_Atom_Stereo_Count	0
78323	Hydrogen_Bond_Donor_Count	2
65940	TPSA	129
439517	Tautomer_Count	2
12347357	Structure_Complexity	98.7
220639	Mono_Isotopic_Weight	117.078978594
328257	Non-hydrogen_Atom_Count	7
147205698	TPSA	31.2
31101	Isotope_Atom_Count	0
701198	TPSA	76.7
19065710	Non-hydrogen_Atom_Count	8
106999	Defined_Bond_Stereo_Count	0
717663	Undefined_Bond_Stereo_Count	1
6438361	Exact_Mass	380.1058333
173636	Hydrogen_Bond_Donor_Count	2
497377	Rotatable_Bond_Count	5
480785	Defined_Bond_Stereo_Count	0
4189	Exact_Mass	415.983074
6498	Mono_Isotopic_Weight	118.00885060
118972006	Molecular_Weight	107.15
15586	Tautomer_Count	1
81569	Mono_Isotopic_Weight	117.078978594
9800555	Defined_Atom_Stereo_Count	0
1069	Total_Formal_Charge	0
4692	Exact_Mass	248.14124450
3831	Undefined_Atom_Stereo_Count	5
117947097	Exact_Mass	383.04391352
23282906	Undefined_Atom_Stereo_Count	2
81869	XLogP3	4.5
28397	Hydrogen_Bond_Acceptor_Count	2
61056	Exact_Mass	186.198365449
5483847	Undefined_Atom_Stereo_Count	0
86739056	Covalent_Unit_Count	1
688363	Exact_Mass	238.08412354
6102790	Hydrogen_Bond_Acceptor_Count	6
118371793	Structure_Complexity	171
60196366	Mono_Isotopic_Weight	539.93301
11689	Exact_Mass	489.88745
101684738	Covalent_Unit_Count	1
16129620	Covalent_Unit_Count	1
10976469	Undefined_Bond_Stereo_Count	0
63896	Defined_Bond_Stereo_Count	0
77016	Hydrogen_Bond_Acceptor_Count	4
91259187	Defined_Bond_Stereo_Count	0
3058503	Isotope_Atom_Count	0
969462	Isotope_Atom_Count	0
123332	Covalent_Unit_Count	1
13314	Hydrogen_Bond_Donor_Count	1
83191	Structure_Complexity	42.2
66016	Rotatable_Bond_Count	5
492767	Exact_Mass	333.1066465
161259	Rotatable_Bond_Count	3
4712993	Exact_Mass	330.05282342
54224045	Undefined_Bond_Stereo_Count	0
13159	Molecular_Weight	98.19
61140	Mono_Isotopic_Weight	136.0291072
8265	Exact_Mass	369.810560
12088	Isotope_Atom_Count	0
16130957	Undefined_Atom_Stereo_Count	0
9800068	Hydrogen_Bond_Acceptor_Count	7
12441297	TPSA	25.8
24848261	Defined_Bond_Stereo_Count	0
6518168	Mono_Isotopic_Weight	1134.3697639
5281758	Structure_Complexity	203
24608	Undefined_Bond_Stereo_Count	0
55851	Hydrogen_Bond_Acceptor_Count	2
141758021	Total_Formal_Charge	0
84927	Tautomer_Count	1
55011	Exact_Mass	200.01297080
170249	Total_Formal_Charge	0
139254081	Defined_Atom_Stereo_Count	6
5281800	Covalent_Unit_Count	1
54170005	Undefined_Bond_Stereo_Count	1
22386229	Structure_Complexity	53.7
11669698	Covalent_Unit_Count	1
820103	XLogP3-AA	4.2
56769	Tautomer_Count	1
62425	Covalent_Unit_Count	3
7700	Non-hydrogen_Atom_Count	19
12223113	XLogP3-AA	2.8
20336979	Covalent_Unit_Count	1
546902	Isotope_Atom_Count	0
67233953	Defined_Bond_Stereo_Count	0
961	Structure_Complexity	0
148680795	Mono_Isotopic_Weight	112.088815002
123249	Hydrogen_Bond_Donor_Count	0
107947	Hydrogen_Bond_Donor_Count	4
582	Undefined_Bond_Stereo_Count	0
200	Mono_Isotopic_Weight	338.06275045
46204457	Undefined_Bond_Stereo_Count	0
55290394	Covalent_Unit_Count	1
137909	Defined_Bond_Stereo_Count	0
50925625	Defined_Atom_Stereo_Count	1
441558	Structure_Complexity	147
95391	Hydrogen_Bond_Donor_Count	0
78363	Undefined_Atom_Stereo_Count	0
13863534	Defined_Atom_Stereo_Count	0
11251	XLogP3	0.8
2729005	Isotope_Atom_Count	0
12226994	Structure_Complexity	38.5
18349198	Covalent_Unit_Count	1
217634	Total_Formal_Charge	0
92128	Isotope_Atom_Count	0
135445749	Isotope_Atom_Count	0
192155	Total_Formal_Charge	0
9953769	Non-hydrogen_Atom_Count	31
15008962	Isotope_Atom_Count	0
60196413	Defined_Atom_Stereo_Count	0
23182368	Molecular_Weight	100.08
546996	Hydrogen_Bond_Acceptor_Count	1
57164040	Exact_Mass	645.23224432
10331	XLogP3	2.4
102515443	Hydrogen_Bond_Acceptor_Count	12
609	Total_Formal_Charge	0
185226	Molecular_Weight	95.14
24795070	Undefined_Atom_Stereo_Count	0
11244031	Hydrogen_Bond_Acceptor_Count	3
69342023	Isotope_Atom_Count	0
12471321	Exact_Mass	111.104799419
4604180	Rotatable_Bond_Count	8
82322	Isotope_Atom_Count	0
194338	Rotatable_Bond_Count	4
732872	TPSA	54
129864962	Mono_Isotopic_Weight	322.11398438
5458497	Defined_Bond_Stereo_Count	1
53806072	Covalent_Unit_Count	1
24672	Undefined_Atom_Stereo_Count	0
55286731	Undefined_Bond_Stereo_Count	0
167495	Isotope_Atom_Count	0
9874874	Defined_Bond_Stereo_Count	0
15148131	XLogP3-AA	0.6
6054	Defined_Bond_Stereo_Count	0
57825223	Covalent_Unit_Count	1
8217	Non-hydrogen_Atom_Count	18
131632305	Hydrogen_Bond_Acceptor_Count	5
159384	Rotatable_Bond_Count	0
21093792	TPSA	90.9
90891909	Rotatable_Bond_Count	2
447518	Total_Formal_Charge	0
71586806	Hydrogen_Bond_Acceptor_Count	2
13356643	Hydrogen_Bond_Donor_Count	1
150841	Total_Formal_Charge	0
2675	Hydrogen_Bond_Acceptor_Count	12
9825070	Total_Formal_Charge	0
234485	Isotope_Atom_Count	0
117715670	Hydrogen_Bond_Acceptor_Count	5
23675786	Mono_Isotopic_Weight	509.0191061
22178220	Non-hydrogen_Atom_Count	15
59398673	Structure_Complexity	147
545800	Undefined_Bond_Stereo_Count	0
4811	Mono_Isotopic_Weight	275.16337692
18980923	Isotope_Atom_Count	0
15395	Undefined_Atom_Stereo_Count	0
81882	Covalent_Unit_Count	1
71316	XLogP3-AA	8.7
22053264	Isotope_Atom_Count	0
230976	Molecular_Weight	193.11
20136721	Undefined_Bond_Stereo_Count	0
40691	Tautomer_Count	1
4973027	Hydrogen_Bond_Acceptor_Count	2
14256301	Rotatable_Bond_Count	1
5353613	Total_Formal_Charge	0
68616	Structure_Complexity	428
119057560	Non-hydrogen_Atom_Count	52
15614042	TPSA	89.5
6323266	Hydrogen_Bond_Donor_Count	3
2734117	Hydrogen_Bond_Donor_Count	0
60165806	Defined_Atom_Stereo_Count	1
66251	Covalent_Unit_Count	2
12186	Undefined_Atom_Stereo_Count	1
3034394	Exact_Mass	290.260965704
243274	Isotope_Atom_Count	0
10558601	Hydrogen_Bond_Acceptor_Count	2
65050	Rotatable_Bond_Count	2
15250	Exact_Mass	192.115029749
22349965	Covalent_Unit_Count	1
3158	Hydrogen_Bond_Acceptor_Count	2
5330790	Hydrogen_Bond_Donor_Count	3
297183	Exact_Mass	108.057514874
17242	Undefined_Bond_Stereo_Count	0
59392023	Hydrogen_Bond_Acceptor_Count	1
155465	Rotatable_Bond_Count	0
33498	TPSA	109
10390369	Total_Formal_Charge	0
130114929	Molecular_Weight	82.10
24901349	Molecular_Weight	481.6
92158	Non-hydrogen_Atom_Count	31
171375	Hydrogen_Bond_Donor_Count	4
143506727	Hydrogen_Bond_Acceptor_Count	0
4108	Covalent_Unit_Count	1
56841980	Molecular_Weight	744.7
18317	Undefined_Atom_Stereo_Count	1
10021510	Covalent_Unit_Count	1
49765077	Mono_Isotopic_Weight	356.15584919
636396	Hydrogen_Bond_Donor_Count	13
71713950	Covalent_Unit_Count	1
17753867	Mono_Isotopic_Weight	289.98038
539121	Hydrogen_Bond_Donor_Count	1
11954316	Molecular_Weight	766.3
40998	Rotatable_Bond_Count	13
10235	Total_Formal_Charge	0
27756	Tautomer_Count	1
32169	Defined_Bond_Stereo_Count	0
11534837	Undefined_Bond_Stereo_Count	0
157049	XLogP3-AA	9.2
5746387	Defined_Bond_Stereo_Count	0
6861	Molecular_Weight	185.22
16129672	Undefined_Bond_Stereo_Count	0
11697697	Total_Formal_Charge	0
12132	Defined_Atom_Stereo_Count	0
73764	Defined_Bond_Stereo_Count	0
673534	Isotope_Atom_Count	0
76519	Isotope_Atom_Count	0
122877	TPSA	138
23694217	Hydrogen_Bond_Donor_Count	2
3086401	Defined_Atom_Stereo_Count	3
129664338	Hydrogen_Bond_Donor_Count	1
2724564	Structure_Complexity	96.6
659840	Non-hydrogen_Atom_Count	19
8159	Tautomer_Count	1
69014	Undefined_Atom_Stereo_Count	0
5458730	Undefined_Bond_Stereo_Count	0
11482181	Defined_Bond_Stereo_Count	0
11440685	Covalent_Unit_Count	1
11564168	Undefined_Bond_Stereo_Count	0
9548590	Defined_Atom_Stereo_Count	10
3034394	Defined_Bond_Stereo_Count	0
16659682	Rotatable_Bond_Count	6
5330196	Defined_Atom_Stereo_Count	0
94297	Molecular_Weight	100.12
18049	Exact_Mass	118.099379685
71680844	Rotatable_Bond_Count	4
13653	Defined_Bond_Stereo_Count	0
10964	Covalent_Unit_Count	1
9821945	Hydrogen_Bond_Acceptor_Count	4
49296	Undefined_Bond_Stereo_Count	0
76883	Undefined_Bond_Stereo_Count	0
123516214	Covalent_Unit_Count	1
5281426	Rotatable_Bond_Count	0
13086	Defined_Atom_Stereo_Count	0
14337609	Mono_Isotopic_Weight	96.057514874
2915	Molecular_Weight	152.3
274426	Total_Formal_Charge	0
878	Molecular_Weight	48.11
161218	TPSA	131
54605501	Structure_Complexity	981
644017	Isotope_Atom_Count	0
56643412	Undefined_Atom_Stereo_Count	0
1074953	Undefined_Bond_Stereo_Count	0
57507	Rotatable_Bond_Count	3
9547196	Covalent_Unit_Count	1
45026	Mono_Isotopic_Weight	293.16270821
426	Isotope_Atom_Count	0
122	Total_Formal_Charge	0
12472902	Non-hydrogen_Atom_Count	18
10518	Defined_Bond_Stereo_Count	0
2724141	Undefined_Bond_Stereo_Count	0
131954443	Total_Formal_Charge	0
22246713	TPSA	55.6
13647	Rotatable_Bond_Count	1
5997	Mono_Isotopic_Weight	386.354866087
20632752	Defined_Bond_Stereo_Count	0
4651115	Undefined_Bond_Stereo_Count	3
154561905	Hydrogen_Bond_Acceptor_Count	1
75606	TPSA	66.4
92851	Mono_Isotopic_Weight	121.01974964
535717	Hydrogen_Bond_Donor_Count	0
5363548	Undefined_Atom_Stereo_Count	0
13353092	Defined_Atom_Stereo_Count	0
6401302	Total_Formal_Charge	0
58438	Hydrogen_Bond_Acceptor_Count	3
151039	Rotatable_Bond_Count	2
12754	Molecular_Weight	191.45
317677	Rotatable_Bond_Count	2
11111992	Isotope_Atom_Count	0
134931805	Mono_Isotopic_Weight	112.088815002
129655960	Total_Formal_Charge	0
4078	Isotope_Atom_Count	0
43594	Defined_Atom_Stereo_Count	3
96421	Undefined_Bond_Stereo_Count	1
162955681	Non-hydrogen_Atom_Count	23
79583	Structure_Complexity	283
2972	Mono_Isotopic_Weight	139.063328530
16217359	Isotope_Atom_Count	4
59168911	XLogP3-AA	0.6
72074	XLogP3-AA	0.4
18757800	Non-hydrogen_Atom_Count	10
11724027	Hydrogen_Bond_Acceptor_Count	4
108182	Non-hydrogen_Atom_Count	21
141395	Isotope_Atom_Count	0
68511084	Total_Formal_Charge	0
104775	Isotope_Atom_Count	0
522609	Exact_Mass	577.32641949
440064	Covalent_Unit_Count	1
12104	Isotope_Atom_Count	0
11261	TPSA	20.2
2734232	Defined_Bond_Stereo_Count	0
18391	Rotatable_Bond_Count	1
79535	Isotope_Atom_Count	0
10278	Defined_Bond_Stereo_Count	0
8185	Molecular_Weight	170.29
81650	Defined_Atom_Stereo_Count	0
135398640	Rotatable_Bond_Count	4
165649752	Isotope_Atom_Count	0
13166771	TPSA	9.2
5252481	Total_Formal_Charge	0
31041	Non-hydrogen_Atom_Count	18
242605	Structure_Complexity	248
9884820	Rotatable_Bond_Count	3
224833	Rotatable_Bond_Count	2
13427979	Defined_Atom_Stereo_Count	0
653817	Total_Formal_Charge	0
4634922	Mono_Isotopic_Weight	241.086469272
91497	TPSA	9.2
637541	Undefined_Atom_Stereo_Count	0
55284122	TPSA	35.2
18510	Isotope_Atom_Count	0
8468	Total_Formal_Charge	0
66792062	Defined_Atom_Stereo_Count	0
68529525	Defined_Atom_Stereo_Count	0
25522	Defined_Atom_Stereo_Count	3
16154789	XLogP3-AA	1.7
2723617	Defined_Atom_Stereo_Count	1
46841789	Non-hydrogen_Atom_Count	34
135925739	Total_Formal_Charge	0
44531955	Non-hydrogen_Atom_Count	42
81423	Defined_Bond_Stereo_Count	0
411312	XLogP3-AA	2.8
87237616	Defined_Atom_Stereo_Count	0
25227462	Structure_Complexity	747
12003287	TPSA	110
13707	Non-hydrogen_Atom_Count	15
23622607	Molecular_Weight	503.6
101616201	Covalent_Unit_Count	1
441277	Isotope_Atom_Count	0
71210615	Non-hydrogen_Atom_Count	23
9942228	Covalent_Unit_Count	2
549336	Defined_Atom_Stereo_Count	0
46856306	Hydrogen_Bond_Donor_Count	3
71452498	Molecular_Weight	535.5
96221	Hydrogen_Bond_Donor_Count	3
10176108	Covalent_Unit_Count	1
5363234	Structure_Complexity	362
7848	Undefined_Bond_Stereo_Count	0
44644	Defined_Atom_Stereo_Count	0
2800647	Rotatable_Bond_Count	5
26956	Defined_Atom_Stereo_Count	5
192160	Rotatable_Bond_Count	0
29691	Undefined_Atom_Stereo_Count	0
8936	Rotatable_Bond_Count	10
84975	Undefined_Atom_Stereo_Count	0
74086836	Rotatable_Bond_Count	0
129317062	Defined_Atom_Stereo_Count	1
22608833	Non-hydrogen_Atom_Count	5
3005572	Hydrogen_Bond_Acceptor_Count	9
19089601	TPSA	69.1
34676239	Structure_Complexity	389
68681	Isotope_Atom_Count	0
953	Hydrogen_Bond_Acceptor_Count	7
23567801	Defined_Atom_Stereo_Count	0
6458	Non-hydrogen_Atom_Count	20
163091	Non-hydrogen_Atom_Count	20
93321	Hydrogen_Bond_Donor_Count	4
5460765	Hydrogen_Bond_Donor_Count	3
17848742	Hydrogen_Bond_Donor_Count	1
2804997	Undefined_Atom_Stereo_Count	0
7309	Non-hydrogen_Atom_Count	13
54576693	Isotope_Atom_Count	0
57913	Non-hydrogen_Atom_Count	8
751505	Hydrogen_Bond_Acceptor_Count	4
6992101	TPSA	67.8
15736732	Hydrogen_Bond_Acceptor_Count	4
160439	Hydrogen_Bond_Acceptor_Count	2
3439	Undefined_Atom_Stereo_Count	1
118719297	Hydrogen_Bond_Donor_Count	3
349957	TPSA	20.3
72402	Structure_Complexity	775
10251	Undefined_Bond_Stereo_Count	0
16978	Hydrogen_Bond_Donor_Count	1
2737121	Defined_Atom_Stereo_Count	0
11597	Undefined_Atom_Stereo_Count	0
12441297	Defined_Bond_Stereo_Count	0
58475	Hydrogen_Bond_Acceptor_Count	2
66082	Structure_Complexity	62.7
180335	Mono_Isotopic_Weight	351.1423633
1123	Structure_Complexity	120
135503538	Hydrogen_Bond_Donor_Count	4
101614363	Molecular_Weight	278.39
91414	Hydrogen_Bond_Acceptor_Count	0
24771777	Hydrogen_Bond_Donor_Count	1
62786	Molecular_Weight	231.72
6262	Structure_Complexity	95
271	Rotatable_Bond_Count	0
141011968	Mono_Isotopic_Weight	107.02319505
17208	Covalent_Unit_Count	1
3034023	Structure_Complexity	356
57339238	Total_Formal_Charge	0
5284476	Molecular_Weight	197.24
20054948	Mono_Isotopic_Weight	569.29082182
23674098	Undefined_Bond_Stereo_Count	0
57503849	Molecular_Weight	1261.4
11962143	Structure_Complexity	327
110964	Defined_Bond_Stereo_Count	0
54220457	Total_Formal_Charge	0
5081	Non-hydrogen_Atom_Count	24
11181837	Undefined_Atom_Stereo_Count	0
156622209	Mono_Isotopic_Weight	98.048012819
133679779	Hydrogen_Bond_Acceptor_Count	1
72775170	Rotatable_Bond_Count	1
68791	Covalent_Unit_Count	1
91805	Rotatable_Bond_Count	1
2160	Covalent_Unit_Count	1
43667	Molecular_Weight	214.31
859783	Undefined_Atom_Stereo_Count	0
13584550	TPSA	17.1
2967	Tautomer_Count	3
948954	Defined_Atom_Stereo_Count	0
73707513	Hydrogen_Bond_Acceptor_Count	10
3034351	Undefined_Bond_Stereo_Count	0
98148768	Exact_Mass	342.11621151
222528	Undefined_Atom_Stereo_Count	0
59116084	Molecular_Weight	178.18
556685	Rotatable_Bond_Count	0
86088629	Hydrogen_Bond_Donor_Count	0
19736124	Isotope_Atom_Count	0
6603693	Isotope_Atom_Count	0
3782034	Defined_Bond_Stereo_Count	0
24875372	Molecular_Weight	500.7
15208	Hydrogen_Bond_Acceptor_Count	4
213037	TPSA	167
50895	Non-hydrogen_Atom_Count	24
836041	Isotope_Atom_Count	0
18368760	Rotatable_Bond_Count	2
641496	Covalent_Unit_Count	1
5481173	Non-hydrogen_Atom_Count	37
65340	Exact_Mass	189.0556563
12233	Rotatable_Bond_Count	2
135801111	Isotope_Atom_Count	0
92806	Undefined_Bond_Stereo_Count	0
12455727	Non-hydrogen_Atom_Count	8
9561131	Undefined_Atom_Stereo_Count	0
199614	Structure_Complexity	387
166450050	Covalent_Unit_Count	1
321436	Total_Formal_Charge	0
7259	Exact_Mass	121.089149355
87409	Undefined_Bond_Stereo_Count	0
6406	Defined_Bond_Stereo_Count	0
285552	Defined_Bond_Stereo_Count	0
69896	Structure_Complexity	191
166558989	Non-hydrogen_Atom_Count	8
24822701	Isotope_Atom_Count	0
18527351	Non-hydrogen_Atom_Count	22
11241	Tautomer_Count	1
137724	Defined_Atom_Stereo_Count	0
521158	Undefined_Bond_Stereo_Count	0
5813717	Undefined_Atom_Stereo_Count	0
15090448	Defined_Bond_Stereo_Count	0
9313	Mono_Isotopic_Weight	273.011291
34072	Defined_Bond_Stereo_Count	0
656557	TPSA	236
5507	Covalent_Unit_Count	1
30976	Mono_Isotopic_Weight	150.06539422
68396089	Exact_Mass	114.104465066
20393	Covalent_Unit_Count	1
16079005	Covalent_Unit_Count	2
23703979	Defined_Atom_Stereo_Count	0
59968312	Hydrogen_Bond_Donor_Count	0
55113	Covalent_Unit_Count	1
8434	Defined_Bond_Stereo_Count	0
10553	Isotope_Atom_Count	0
41257	Tautomer_Count	1
145709612	Defined_Bond_Stereo_Count	0
68128	Defined_Bond_Stereo_Count	0
687604	Undefined_Bond_Stereo_Count	0
11937	Tautomer_Count	1
27808	Tautomer_Count	3
16197725	Undefined_Atom_Stereo_Count	0
20555317	TPSA	49.5
14585707	Exact_Mass	114.068079557
19601937	Defined_Bond_Stereo_Count	0
9244	Defined_Atom_Stereo_Count	0
58938020	Structure_Complexity	63.1
135398517	Molecular_Weight	176.17
12539494	Exact_Mass	94.078250319
11032	Undefined_Atom_Stereo_Count	0
7245	Exact_Mass	128.0028925
85925	Hydrogen_Bond_Acceptor_Count	0
3080714	Undefined_Atom_Stereo_Count	0
2455	XLogP3-AA	3.8
3467	Undefined_Atom_Stereo_Count	13
17868	Isotope_Atom_Count	0
148557	Tautomer_Count	1
547400	TPSA	12.5
40469421	Isotope_Atom_Count	0
11427553	Exact_Mass	332.16371127
53903478	Molecular_Weight	197.26
10080906	Tautomer_Count	1
12677196	TPSA	9.2
605461	Total_Formal_Charge	0
123585399	Structure_Complexity	117
2724277	Hydrogen_Bond_Donor_Count	0
99486	Covalent_Unit_Count	1
683214	XLogP3-AA	2.1
69147	Total_Formal_Charge	0
123337109	Undefined_Atom_Stereo_Count	2
9937618	Covalent_Unit_Count	3
20605239	Rotatable_Bond_Count	0
45116687	Isotope_Atom_Count	0
138277	Undefined_Atom_Stereo_Count	0
143888994	Non-hydrogen_Atom_Count	8
89504167	Total_Formal_Charge	0
229	TPSA	90.2
2325	Structure_Complexity	374
12340	Tautomer_Count	1
119095542	Total_Formal_Charge	0
5310969	Hydrogen_Bond_Acceptor_Count	3
57258462	Total_Formal_Charge	0
439530	Undefined_Bond_Stereo_Count	0
21093784	Structure_Complexity	577
869	Defined_Bond_Stereo_Count	0
6604796	Covalent_Unit_Count	1
4727	Molecular_Weight	149.21
25818	Isotope_Atom_Count	0
38031	Hydrogen_Bond_Donor_Count	0
12494974	Hydrogen_Bond_Acceptor_Count	2
11980076	Tautomer_Count	1000
13531445	Hydrogen_Bond_Acceptor_Count	2
445936	Undefined_Bond_Stereo_Count	0
6328027	Total_Formal_Charge	0
13400657	Rotatable_Bond_Count	1
12066	Mono_Isotopic_Weight	206.9489983
11957635	TPSA	24.4
65370	Mono_Isotopic_Weight	563.28025714
4913256	Undefined_Atom_Stereo_Count	0
25271884	Undefined_Bond_Stereo_Count	0
529	Covalent_Unit_Count	1
53319739	Molecular_Weight	279.29
81382	Non-hydrogen_Atom_Count	30
7852	Exact_Mass	59.073499291
181052	XLogP3-AA	3.3
70687387	Isotope_Atom_Count	0
4216510	TPSA	223
79358	Structure_Complexity	186
13388323	Exact_Mass	112.03851076
5927	TPSA	183
88255060	Total_Formal_Charge	0
3475	Hydrogen_Bond_Donor_Count	2
44567678	Covalent_Unit_Count	1
164116	Molecular_Weight	252.27
71435578	Hydrogen_Bond_Donor_Count	0
16329	Mono_Isotopic_Weight	231.98876
142106	TPSA	37.3
46202743	Exact_Mass	439.18083850
86999	Isotope_Atom_Count	0
141508	Undefined_Atom_Stereo_Count	2
117915	Structure_Complexity	105
3246	Hydrogen_Bond_Acceptor_Count	2
134587348	Exact_Mass	597.23450825
70693116	Structure_Complexity	758
440192	Undefined_Atom_Stereo_Count	1
964856	Rotatable_Bond_Count	3
19526	Rotatable_Bond_Count	1
53315792	Hydrogen_Bond_Donor_Count	6
2370	TPSA	52.3
9547713	Molecular_Weight	114.15
9548889	Exact_Mass	305.033937
550830	Undefined_Atom_Stereo_Count	2
58126	Undefined_Atom_Stereo_Count	3
11298500	Undefined_Atom_Stereo_Count	0
121732	XLogP3-AA	1.4
42635875	XLogP3-AA	0.2
53870634	Total_Formal_Charge	0
6436860	Hydrogen_Bond_Donor_Count	1
9975270	Isotope_Atom_Count	0
65217	Non-hydrogen_Atom_Count	27
2752445	Hydrogen_Bond_Acceptor_Count	1
27200	TPSA	112
162839	Defined_Atom_Stereo_Count	0
3085416	Undefined_Bond_Stereo_Count	3
11560414	Total_Formal_Charge	0
14949211	Rotatable_Bond_Count	0
70846	Hydrogen_Bond_Donor_Count	0
56668818	Defined_Bond_Stereo_Count	0
45282362	Undefined_Bond_Stereo_Count	0
35949	Non-hydrogen_Atom_Count	28
23394557	Undefined_Atom_Stereo_Count	0
67849558	Total_Formal_Charge	0
135463451	Undefined_Atom_Stereo_Count	0
16759596	Isotope_Atom_Count	0
24014	Undefined_Bond_Stereo_Count	0
54676228	Molecular_Weight	331.3
88959077	Structure_Complexity	122
12519677	Hydrogen_Bond_Donor_Count	2
181976	Isotope_Atom_Count	0
154342	XLogP3	2.9
164026416	Hydrogen_Bond_Donor_Count	0
129627802	Molecular_Weight	843.1
13233	Rotatable_Bond_Count	0
317053	Hydrogen_Bond_Acceptor_Count	2
123792	Rotatable_Bond_Count	17
54744	Hydrogen_Bond_Acceptor_Count	4
12407	Tautomer_Count	1
115739	Undefined_Atom_Stereo_Count	1
314	Molecular_Weight	323.20
13019	Defined_Atom_Stereo_Count	0
41282	Hydrogen_Bond_Acceptor_Count	0
12658877	Structure_Complexity	39.1
688145	Defined_Bond_Stereo_Count	1
439791	Molecular_Weight	102.18
6373	Undefined_Bond_Stereo_Count	0
6289935	XLogP3	18.2
25199807	Defined_Bond_Stereo_Count	2
18732336	Defined_Bond_Stereo_Count	0
84788	Molecular_Weight	152.09
16078	Rotatable_Bond_Count	4
21692	TPSA	56.3
95083	Hydrogen_Bond_Donor_Count	1
139323923	Hydrogen_Bond_Donor_Count	5
7762	Rotatable_Bond_Count	4
3878721	XLogP3-AA	1.9
23673461	Isotope_Atom_Count	0
73984	Molecular_Weight	104.11
4075158	Molecular_Weight	227.36
129320410	Rotatable_Bond_Count	8
131966078	Covalent_Unit_Count	1
10451	Exact_Mass	120.00674260
5611	TPSA	66.4
13519	Undefined_Bond_Stereo_Count	0
5889665	Isotope_Atom_Count	0
61638	Tautomer_Count	1
57031835	Hydrogen_Bond_Acceptor_Count	1
20342	Undefined_Atom_Stereo_Count	1
10997105	Undefined_Bond_Stereo_Count	0
91264731	Molecular_Weight	94.15
128	Isotope_Atom_Count	0
8002585	TPSA	58.6
8685	Rotatable_Bond_Count	6
523251	Undefined_Atom_Stereo_Count	0
661093	Isotope_Atom_Count	0
135566371	Hydrogen_Bond_Acceptor_Count	8
9953	TPSA	83.6
23347	Undefined_Bond_Stereo_Count	0
82534	Tautomer_Count	1
544792	Exact_Mass	85.089149355
6917754	Tautomer_Count	1
69632	Defined_Bond_Stereo_Count	0
132472265	Structure_Complexity	1970
117752163	Covalent_Unit_Count	1
64588	XLogP3-AA	1.9
24808640	Molecular_Weight	94.11
21752	Covalent_Unit_Count	1
122553	Structure_Complexity	372
28340	Exact_Mass	282.15795719
937394	Mono_Isotopic_Weight	178.110613074
72332	Exact_Mass	545.26248182
13222108	Undefined_Bond_Stereo_Count	0
59876594	Undefined_Atom_Stereo_Count	1
97325	Undefined_Bond_Stereo_Count	0
129712967	TPSA	88.4
72323	Covalent_Unit_Count	1
153627081	Exact_Mass	102.079312947
45278337	Exact_Mass	421.28983728
12066842	Molecular_Weight	98.15
54573150	Structure_Complexity	137
131839611	Rotatable_Bond_Count	5
25375	XLogP3-AA	1.5
439248	Non-hydrogen_Atom_Count	56
11082	Molecular_Weight	216.26
20379467	Structure_Complexity	81.8
11120	Undefined_Bond_Stereo_Count	0
10087998	Non-hydrogen_Atom_Count	24
12741658	Molecular_Weight	100.12
10811	Covalent_Unit_Count	1
24901141	Hydrogen_Bond_Acceptor_Count	6
26139	Undefined_Bond_Stereo_Count	0
206044	Rotatable_Bond_Count	12
16211656	Total_Formal_Charge	0
117188004	Isotope_Atom_Count	0
53671684	Undefined_Bond_Stereo_Count	1
97535	Defined_Bond_Stereo_Count	0
91419082	Undefined_Atom_Stereo_Count	1
6097185	Tautomer_Count	1
102538	Hydrogen_Bond_Donor_Count	0
16639	XLogP3-AA	2.7
10298	Total_Formal_Charge	0
167811	Non-hydrogen_Atom_Count	28
9615347	Rotatable_Bond_Count	10
122172547	Non-hydrogen_Atom_Count	85
54158	Defined_Atom_Stereo_Count	0
8009	XLogP3	0.4
50397	Hydrogen_Bond_Donor_Count	1
44321290	Exact_Mass	548.35151204
1127	Total_Formal_Charge	0
85904472	Hydrogen_Bond_Acceptor_Count	0
225612	TPSA	98
24757913	Mono_Isotopic_Weight	622.23173397
17757212	Mono_Isotopic_Weight	423.1574413
12603004	Undefined_Atom_Stereo_Count	0
486	Structure_Complexity	198
24917008	Covalent_Unit_Count	1
9893	XLogP3	0.6
54266316	Hydrogen_Bond_Donor_Count	2
13867124	Rotatable_Bond_Count	6
123964614	Exact_Mass	94.078250319
13691769	Mono_Isotopic_Weight	188.03342538
129642209	Total_Formal_Charge	0
10407447	Hydrogen_Bond_Acceptor_Count	1
63055	Undefined_Atom_Stereo_Count	0
7973	Covalent_Unit_Count	1
5353635	Mono_Isotopic_Weight	324.10698424
77241	Undefined_Bond_Stereo_Count	0
5940153	Undefined_Bond_Stereo_Count	0
2762919	Defined_Bond_Stereo_Count	0
10715582	Total_Formal_Charge	0
65533	TPSA	157
45214	Undefined_Atom_Stereo_Count	0
66369	Tautomer_Count	1
12059922	Exact_Mass	255.04840
120095	Hydrogen_Bond_Acceptor_Count	1
10329273	Hydrogen_Bond_Donor_Count	1
12285869	Hydrogen_Bond_Acceptor_Count	6
11725766	Undefined_Bond_Stereo_Count	0
12102501	Molecular_Weight	112.13
19370943	Rotatable_Bond_Count	1
2799	Hydrogen_Bond_Donor_Count	1
55285488	Isotope_Atom_Count	0
20667	Covalent_Unit_Count	1
3075	Isotope_Atom_Count	0
637758	XLogP3	3
80530	Non-hydrogen_Atom_Count	12
5281411	Rotatable_Bond_Count	2
30160	Undefined_Atom_Stereo_Count	3
19438038	Isotope_Atom_Count	0
53464	Structure_Complexity	322
132274082	Exact_Mass	1201.84136802
71469	Molecular_Weight	1092.2
60496	Defined_Bond_Stereo_Count	0
165906267	Hydrogen_Bond_Donor_Count	2
4840	Isotope_Atom_Count	0
54177139	Undefined_Bond_Stereo_Count	0
91027594	Hydrogen_Bond_Acceptor_Count	0
10149288	Non-hydrogen_Atom_Count	18
16547	Undefined_Atom_Stereo_Count	0
5364759	Tautomer_Count	1
223407	Isotope_Atom_Count	0
17001	Rotatable_Bond_Count	6
41545	Total_Formal_Charge	0
23427989	Structure_Complexity	1870
88638	Hydrogen_Bond_Donor_Count	2
11725	Undefined_Atom_Stereo_Count	0
6437392	Defined_Bond_Stereo_Count	2
123292394	Undefined_Atom_Stereo_Count	2
21702	Non-hydrogen_Atom_Count	10
105426940	Hydrogen_Bond_Donor_Count	2
15096	Structure_Complexity	104
10047003	Hydrogen_Bond_Donor_Count	1
22502	Defined_Atom_Stereo_Count	3
16020938	Hydrogen_Bond_Donor_Count	1
70681	Mono_Isotopic_Weight	277.2536278
94973	Hydrogen_Bond_Acceptor_Count	2
5948958	XLogP3-AA	6.4
6326	Rotatable_Bond_Count	0
9911830	Undefined_Bond_Stereo_Count	0
69333782	TPSA	45.2
86171381	Structure_Complexity	113
23714647	Rotatable_Bond_Count	2
54311720	Hydrogen_Bond_Donor_Count	1
7715	Tautomer_Count	1
4019563	Hydrogen_Bond_Donor_Count	2
493082	Hydrogen_Bond_Donor_Count	0
5464344	Hydrogen_Bond_Acceptor_Count	7
18606	Hydrogen_Bond_Donor_Count	0
72073	Exact_Mass	162.042927438
65775	Hydrogen_Bond_Donor_Count	0
55298701	Total_Formal_Charge	0
696925	Total_Formal_Charge	0
91339524	Mono_Isotopic_Weight	96.068748264
9865233	Isotope_Atom_Count	0
13472	Defined_Atom_Stereo_Count	5
6918160	Undefined_Bond_Stereo_Count	0
6335951	Isotope_Atom_Count	0
168299	Covalent_Unit_Count	3
148931547	Mono_Isotopic_Weight	1201.84136802
72323	Structure_Complexity	461
24196	Defined_Bond_Stereo_Count	0
22160	Total_Formal_Charge	0
16312	Hydrogen_Bond_Donor_Count	0
78027	Defined_Atom_Stereo_Count	0
73553918	XLogP3-AA	2.4
819291	Non-hydrogen_Atom_Count	8
36832	Non-hydrogen_Atom_Count	8
5311504	TPSA	54.4
11933	Undefined_Bond_Stereo_Count	0
11566	Rotatable_Bond_Count	0
18923110	Undefined_Bond_Stereo_Count	0
10537	Hydrogen_Bond_Donor_Count	1
8969	Hydrogen_Bond_Acceptor_Count	4
75633	Rotatable_Bond_Count	2
27744	Defined_Bond_Stereo_Count	0
129812487	Defined_Bond_Stereo_Count	0
118052411	Defined_Bond_Stereo_Count	0
54173839	Non-hydrogen_Atom_Count	7
87168	Tautomer_Count	1
4679699	Defined_Atom_Stereo_Count	0
40230	Molecular_Weight	203.24
129407	Molecular_Weight	501.8
27428	Rotatable_Bond_Count	1
44193577	TPSA	69.7
5288075	Undefined_Bond_Stereo_Count	0
87642220	Non-hydrogen_Atom_Count	23
25015692	Non-hydrogen_Atom_Count	37
4302963	Covalent_Unit_Count	1
5657	Covalent_Unit_Count	1
73216	Non-hydrogen_Atom_Count	11
84003	Tautomer_Count	4
439207	Tautomer_Count	1
7512	Undefined_Atom_Stereo_Count	0
88043	Rotatable_Bond_Count	1
398745	Defined_Bond_Stereo_Count	0
40146	Rotatable_Bond_Count	3
12511868	Isotope_Atom_Count	0
25418	Total_Formal_Charge	0
4369359	Exact_Mass	407.11807909
101316975	Non-hydrogen_Atom_Count	38
25227462	Undefined_Bond_Stereo_Count	0
11138428	Structure_Complexity	151
7469	Exact_Mass	136.052429494
146156428	Defined_Bond_Stereo_Count	0
424353	Exact_Mass	399.20457303
65335	Non-hydrogen_Atom_Count	18
54605501	TPSA	138
66377	Mono_Isotopic_Weight	256.10592162
444885	Structure_Complexity	403
159889	Undefined_Atom_Stereo_Count	0
12185	Rotatable_Bond_Count	3
97860	Structure_Complexity	322
9934458	Structure_Complexity	612
390658	Undefined_Bond_Stereo_Count	0
52993227	Undefined_Atom_Stereo_Count	0
15575641	Structure_Complexity	138
74441500	Isotope_Atom_Count	0
44629543	Structure_Complexity	1090
311434	Mono_Isotopic_Weight	311.0672836
23440949	Defined_Atom_Stereo_Count	0
3440	Undefined_Bond_Stereo_Count	0
13379958	Covalent_Unit_Count	1
52944532	Molecular_Weight	415.4
139600236	TPSA	49.7
61007	XLogP3	2.1
132935795	Exact_Mass	199.10308534
122411051	Rotatable_Bond_Count	12
18744	Isotope_Atom_Count	0
70732	XLogP3-AA	1.3
10038849	Defined_Bond_Stereo_Count	0
28187	Defined_Bond_Stereo_Count	0
73675	Rotatable_Bond_Count	4
18335911	Total_Formal_Charge	0
448055	XLogP3-AA	2.2
59768	TPSA	67.8
123348667	TPSA	20.3
65651	Rotatable_Bond_Count	4
122081	Defined_Atom_Stereo_Count	0
13078198	Defined_Atom_Stereo_Count	0
70935	Hydrogen_Bond_Donor_Count	2
10909508	Total_Formal_Charge	0
86213522	Defined_Atom_Stereo_Count	0
3796640	Mono_Isotopic_Weight	265.13274550
35740	Structure_Complexity	868
19044091	Undefined_Atom_Stereo_Count	0
25014844	Defined_Atom_Stereo_Count	0
123888456	Covalent_Unit_Count	1
6605	Hydrogen_Bond_Acceptor_Count	5
20387231	Rotatable_Bond_Count	2
15752274	Defined_Bond_Stereo_Count	0
58654632	Structure_Complexity	32.9
53316382	Undefined_Atom_Stereo_Count	0
6321413	Rotatable_Bond_Count	7
9704	Defined_Atom_Stereo_Count	0
12318317	Molecular_Weight	131.17
96780	Structure_Complexity	203
23278715	Structure_Complexity	872
45029742	Exact_Mass	302.07903816
46898058	Undefined_Atom_Stereo_Count	0
5484131	Molecular_Weight	546.6
12585787	XLogP3-AA	2.2
19127	Defined_Atom_Stereo_Count	0
159190124	TPSA	279
78457	Defined_Atom_Stereo_Count	1
15980171	Undefined_Bond_Stereo_Count	0
7654	Hydrogen_Bond_Donor_Count	0
54394834	Covalent_Unit_Count	1
6438895	Hydrogen_Bond_Donor_Count	3
13483371	Defined_Atom_Stereo_Count	0
54760	XLogP3-AA	2.3
7120	Rotatable_Bond_Count	3
57515953	Hydrogen_Bond_Acceptor_Count	7
20515773	TPSA	46.3
18303	TPSA	26.3
51003592	Hydrogen_Bond_Donor_Count	1
133635911	XLogP3-AA	4
93550	Molecular_Weight	273.28
13947131	Defined_Atom_Stereo_Count	0
10893439	Defined_Bond_Stereo_Count	0
12571	Rotatable_Bond_Count	4
83465	Defined_Bond_Stereo_Count	0
12732837	Hydrogen_Bond_Acceptor_Count	1
6708701	XLogP3-AA	0.6
15438	Exact_Mass	222.06742811
130918	Defined_Bond_Stereo_Count	0
138527	Isotope_Atom_Count	0
12052005	Total_Formal_Charge	0
37114	TPSA	49.7
48362	Hydrogen_Bond_Acceptor_Count	1
642781	Structure_Complexity	165
7043	Hydrogen_Bond_Donor_Count	0
16063805	TPSA	35.5
19604	Non-hydrogen_Atom_Count	18
447545	Mono_Isotopic_Weight	659.20027549
17218	Tautomer_Count	1
136010411	Mono_Isotopic_Weight	109.03884512
14868106	Rotatable_Bond_Count	1
93171	Rotatable_Bond_Count	1
5365371	Mono_Isotopic_Weight	337.334464995
73773	Covalent_Unit_Count	1
10313102	Undefined_Bond_Stereo_Count	0
17913	Total_Formal_Charge	0
643985	Covalent_Unit_Count	1
15982533	Undefined_Bond_Stereo_Count	0
70265544	Molecular_Weight	107.11
99080	Defined_Bond_Stereo_Count	0
2752445	Isotope_Atom_Count	0
83904773	Hydrogen_Bond_Acceptor_Count	1
53808	Undefined_Atom_Stereo_Count	0
72200931	Molecular_Weight	459.7
4557	Isotope_Atom_Count	0
90750	Exact_Mass	291.173547683
23279312	Structure_Complexity	123
95456	Mono_Isotopic_Weight	117.078978594
9574343	Non-hydrogen_Atom_Count	36
6907	Exact_Mass	511.60339
139292184	Hydrogen_Bond_Acceptor_Count	17
76720	TPSA	87.7
10451635	XLogP3-AA	3.7
541087	Non-hydrogen_Atom_Count	23
79267	Undefined_Bond_Stereo_Count	0
41442	Isotope_Atom_Count	0
53436961	Defined_Atom_Stereo_Count	0
135618150	Hydrogen_Bond_Donor_Count	10
9526	Isotope_Atom_Count	0
167980	Rotatable_Bond_Count	7
833	Undefined_Bond_Stereo_Count	0
114864	Tautomer_Count	13
7190	TPSA	37.3
22132384	Covalent_Unit_Count	1
76280	XLogP3	2.1
11967809	Defined_Atom_Stereo_Count	0
10011870	Total_Formal_Charge	0
7892	XLogP3-AA	3.2
60121	Isotope_Atom_Count	0
2761815	XLogP3	0.1
49862872	Rotatable_Bond_Count	2
5281034	Exact_Mass	332.23514488
54706138	Tautomer_Count	246
208	Molecular_Weight	260.14
23667627	Hydrogen_Bond_Donor_Count	1
705715	Structure_Complexity	381
19962876	Undefined_Atom_Stereo_Count	0
17569	Covalent_Unit_Count	1
17168	Covalent_Unit_Count	1
12940550	Rotatable_Bond_Count	2
62210	Structure_Complexity	548
945	XLogP3-AA	0.2
246916	Undefined_Bond_Stereo_Count	0
9961878	Defined_Bond_Stereo_Count	0
44577611	Defined_Atom_Stereo_Count	0
11271	Structure_Complexity	72.4
59189978	Undefined_Atom_Stereo_Count	0
5284556	Molecular_Weight	144.60
2724259	Structure_Complexity	999
146158371	Total_Formal_Charge	0
5242388	XLogP3-AA	1.8
21264914	Hydrogen_Bond_Donor_Count	1
3928	XLogP3	0.2
2723650	Isotope_Atom_Count	0
92943	Covalent_Unit_Count	1
254021	Undefined_Bond_Stereo_Count	0
91566861	Total_Formal_Charge	0
2033	Hydrogen_Bond_Donor_Count	1
23719520	Rotatable_Bond_Count	2
10230	Structure_Complexity	167
3478696	Undefined_Bond_Stereo_Count	0
66081	Hydrogen_Bond_Acceptor_Count	0
4560140	Rotatable_Bond_Count	2
94180	Defined_Atom_Stereo_Count	0
10138260	Rotatable_Bond_Count	6
130589021	Undefined_Bond_Stereo_Count	0
1388	Undefined_Atom_Stereo_Count	0
20652880	Hydrogen_Bond_Donor_Count	2
44590341	Undefined_Bond_Stereo_Count	0
4183883	Defined_Atom_Stereo_Count	0
91753	Hydrogen_Bond_Acceptor_Count	4
58436	Tautomer_Count	2
60871	Hydrogen_Bond_Donor_Count	1
558	Exact_Mass	173.08004122
23262897	Hydrogen_Bond_Donor_Count	0
398675	TPSA	36
62232603	XLogP3-AA	0
54445181	Undefined_Atom_Stereo_Count	0
74791	XLogP3	3.7
441307	Exact_Mass	372.1815851
135410906	Covalent_Unit_Count	1
8653	Exact_Mass	216.0341926
67113727	Rotatable_Bond_Count	2
6432640	Defined_Atom_Stereo_Count	1
31357	Mono_Isotopic_Weight	266.16469634
5281055	Mono_Isotopic_Weight	473.12567125
19309	Tautomer_Count	7
17833	Tautomer_Count	1
546078	XLogP3-AA	0.3
101603227	Non-hydrogen_Atom_Count	52
23666830	Total_Formal_Charge	0
78959	Structure_Complexity	75.1
65737	XLogP3-AA	1.8
15309593	Undefined_Bond_Stereo_Count	0
82917	Hydrogen_Bond_Acceptor_Count	2
42993	Covalent_Unit_Count	1
15990796	Defined_Atom_Stereo_Count	0
8717	TPSA	26
53486446	Defined_Bond_Stereo_Count	2
76460	Molecular_Weight	715.0
36255	TPSA	163
95258	XLogP3	1.2
347475	Hydrogen_Bond_Acceptor_Count	1
53883934	Molecular_Weight	112.17
16219444	Non-hydrogen_Atom_Count	24
71857	Defined_Atom_Stereo_Count	0
56679112	Covalent_Unit_Count	1
44267026	Defined_Bond_Stereo_Count	0
14440271	Structure_Complexity	46.8
141344	Undefined_Atom_Stereo_Count	1
572254	Hydrogen_Bond_Acceptor_Count	2
42104317	Defined_Atom_Stereo_Count	3
22174643	Structure_Complexity	57.1
10866310	Defined_Atom_Stereo_Count	0
4228493	Undefined_Atom_Stereo_Count	0
18779923	XLogP3	0.3
29681	Undefined_Bond_Stereo_Count	0
81767	Defined_Atom_Stereo_Count	0
10407447	Isotope_Atom_Count	0
536111	Undefined_Bond_Stereo_Count	0
518696	Undefined_Bond_Stereo_Count	0
151476	Mono_Isotopic_Weight	235.98105
153643637	Undefined_Atom_Stereo_Count	0
18769664	Undefined_Bond_Stereo_Count	0
12164	Covalent_Unit_Count	1
3108	Structure_Complexity	561
22137869	Isotope_Atom_Count	0
12594098	Hydrogen_Bond_Donor_Count	0
9576412	Undefined_Atom_Stereo_Count	0
74857	Tautomer_Count	1
13120	Non-hydrogen_Atom_Count	24
2795887	Undefined_Bond_Stereo_Count	0
437085	Non-hydrogen_Atom_Count	22
121207368	Rotatable_Bond_Count	0
89951991	Covalent_Unit_Count	1
1198	Exact_Mass	192.02700259
98930	Hydrogen_Bond_Donor_Count	0
2334	Undefined_Atom_Stereo_Count	0
11554216	Hydrogen_Bond_Acceptor_Count	5
4076	Defined_Atom_Stereo_Count	0
1469	Undefined_Atom_Stereo_Count	1
10021783	XLogP3-AA	5.4
99516	Exact_Mass	416.32904526
134693234	Hydrogen_Bond_Donor_Count	1
224001	Isotope_Atom_Count	0
87017	Defined_Atom_Stereo_Count	0
54706667	TPSA	80.6
11372270	Undefined_Atom_Stereo_Count	0
19502	Hydrogen_Bond_Donor_Count	0
938021	Covalent_Unit_Count	1
10855394	Hydrogen_Bond_Donor_Count	1
56841556	Undefined_Atom_Stereo_Count	0
56842231	TPSA	355
240534	Hydrogen_Bond_Acceptor_Count	2
11597697	Undefined_Atom_Stereo_Count	0
14081616	Non-hydrogen_Atom_Count	8
6917983	Molecular_Weight	822.9
102601177	Covalent_Unit_Count	1
31398	Rotatable_Bond_Count	0
362828	Mono_Isotopic_Weight	297.11134135
54676884	Defined_Atom_Stereo_Count	0
15291	TPSA	39.2
53670643	Defined_Bond_Stereo_Count	0
146474223	TPSA	27.7
8842	Total_Formal_Charge	0
54332784	Total_Formal_Charge	0
84197	Isotope_Atom_Count	0
71105	TPSA	71.4
76223836	Hydrogen_Bond_Acceptor_Count	2
8020	Defined_Bond_Stereo_Count	0
4020	Isotope_Atom_Count	0
101333850	Non-hydrogen_Atom_Count	10
2723	XLogP3	2
11586735	Rotatable_Bond_Count	3
135413525	Non-hydrogen_Atom_Count	18
130250598	Non-hydrogen_Atom_Count	8
639288	Defined_Bond_Stereo_Count	0
5289534	Isotope_Atom_Count	0
6119	Total_Formal_Charge	0
24287	Structure_Complexity	19.1
65784	Hydrogen_Bond_Acceptor_Count	4
10090750	Exact_Mass	373.204179104
53803	Tautomer_Count	1
122449120	Covalent_Unit_Count	1
39356	Hydrogen_Bond_Acceptor_Count	2
128919	Mono_Isotopic_Weight	381.17043419
11051613	Exact_Mass	114.068079557
20100130	Structure_Complexity	420
446156	Isotope_Atom_Count	0
53935056	Non-hydrogen_Atom_Count	7
20378091	Isotope_Atom_Count	0
3045407	Mono_Isotopic_Weight	578.26281617
123156	Isotope_Atom_Count	0
21306027	Hydrogen_Bond_Donor_Count	0
13363	Covalent_Unit_Count	2
134150175	TPSA	110
1082	Exact_Mass	337.09437113
14792	Mono_Isotopic_Weight	39.9799563
853747	XLogP3-AA	2.6
68638786	Total_Formal_Charge	0
64994767	Covalent_Unit_Count	1
24191118	Structure_Complexity	2.8
33791	Tautomer_Count	1
6433101	XLogP3-AA	4.5
4720	TPSA	80.9
31236	Isotope_Atom_Count	0
157568	TPSA	26.3
5328760	Rotatable_Bond_Count	3
16737690	Exact_Mass	646.18213833
5284613	Non-hydrogen_Atom_Count	38
139211202	XLogP3-AA	4.2
42552713	Undefined_Bond_Stereo_Count	0
71469	Undefined_Bond_Stereo_Count	0
1374121	XLogP3-AA	4.3
15788366	TPSA	66.2
6433892	Total_Formal_Charge	0
46943432	Hydrogen_Bond_Acceptor_Count	5
9255	XLogP3	0.1
24518	Hydrogen_Bond_Donor_Count	0
139057938	Defined_Atom_Stereo_Count	0
11137890	Isotope_Atom_Count	0
3715	Tautomer_Count	5
57223656	Defined_Bond_Stereo_Count	0
3872	Undefined_Bond_Stereo_Count	0
101561	Exact_Mass	120.04225873
148431	Defined_Bond_Stereo_Count	0
69333672	Molecular_Weight	108.10
220705	Undefined_Atom_Stereo_Count	0
91248258	Non-hydrogen_Atom_Count	7
70697365	Undefined_Atom_Stereo_Count	0
20015	Covalent_Unit_Count	1
11611114	Total_Formal_Charge	0
445785	Undefined_Bond_Stereo_Count	0
6966	Defined_Bond_Stereo_Count	0
11787	Structure_Complexity	160
4471892	Non-hydrogen_Atom_Count	4
121877	Total_Formal_Charge	0
8176	TPSA	26.3
75057	Total_Formal_Charge	1
16683012	Isotope_Atom_Count	0
636401	Rotatable_Bond_Count	3
7979	Isotope_Atom_Count	0
5148195	Total_Formal_Charge	0
282518	Molecular_Weight	311.29
3195	Hydrogen_Bond_Donor_Count	0
704232	Defined_Atom_Stereo_Count	0
25127713	Undefined_Bond_Stereo_Count	0
20693488	Defined_Atom_Stereo_Count	0
24870668	Defined_Atom_Stereo_Count	19
137704528	TPSA	195
8287	Molecular_Weight	362.3
580057	Isotope_Atom_Count	0
25079036	Structure_Complexity	2760
8906	XLogP3	7.2
897177	Molecular_Weight	349.4
56982924	Molecular_Weight	117.10
9871092	Mono_Isotopic_Weight	513.00175130
6918331	Mono_Isotopic_Weight	432.18854386
446504	Exact_Mass	393.13584202
7270	Undefined_Bond_Stereo_Count	0
95659	Exact_Mass	198.104465066
9207	Tautomer_Count	1
11949689	Defined_Bond_Stereo_Count	0
18670	Rotatable_Bond_Count	22
10038849	TPSA	23.5
70684314	Undefined_Atom_Stereo_Count	0
7121	Molecular_Weight	182.17
60785	Tautomer_Count	1
92877	Mono_Isotopic_Weight	276.245315640
10072851	Structure_Complexity	731
134688510	Molecular_Weight	560.6
28026	Total_Formal_Charge	0
6452419	Molecular_Weight	322.9
112322	Defined_Atom_Stereo_Count	0
162990683	Covalent_Unit_Count	1
6918540	Molecular_Weight	389.6
134692058	Covalent_Unit_Count	1
53398649	Non-hydrogen_Atom_Count	26
7897	Non-hydrogen_Atom_Count	6
698	Hydrogen_Bond_Donor_Count	1
3034645	Non-hydrogen_Atom_Count	8
134931805	Hydrogen_Bond_Acceptor_Count	1
519726	Exact_Mass	111.079647300
13444042	Molecular_Weight	108.14
17856120	Isotope_Atom_Count	0
5754	Total_Formal_Charge	0
1712094	TPSA	47.9
24758983	Rotatable_Bond_Count	7
254	Covalent_Unit_Count	1
117899707	Rotatable_Bond_Count	1
111026	Structure_Complexity	27.1
22136196	Exact_Mass	114.00654193
44183569	TPSA	168
67651264	Rotatable_Bond_Count	2
456222	Undefined_Bond_Stereo_Count	0
14355861	Undefined_Atom_Stereo_Count	0
71027	TPSA	17.1
637593	Covalent_Unit_Count	1
6227	Tautomer_Count	1
87162901	Isotope_Atom_Count	0
123642	Mono_Isotopic_Weight	408.24129289
69578	Undefined_Bond_Stereo_Count	0
5361917	Covalent_Unit_Count	2
148539	Undefined_Bond_Stereo_Count	0
70120	Defined_Atom_Stereo_Count	0
11909	Hydrogen_Bond_Donor_Count	0
597	Mono_Isotopic_Weight	111.043261792
9823775	Mono_Isotopic_Weight	426.17908655
63720	Defined_Bond_Stereo_Count	0
108144	Tautomer_Count	7
10126019	Rotatable_Bond_Count	7
2461	XLogP3	2.9
3017320	Mono_Isotopic_Weight	96.093900383
70480	Rotatable_Bond_Count	0
53898601	Hydrogen_Bond_Acceptor_Count	2
19738468	Exact_Mass	114.068079557
4675	Rotatable_Bond_Count	6
124635203	TPSA	190
143007	Hydrogen_Bond_Acceptor_Count	1
12387212	Molecular_Weight	104.10
79865794	Exact_Mass	112.088815002
6136	Hydrogen_Bond_Acceptor_Count	5
21947198	Mono_Isotopic_Weight	195.06604493
40784491	Hydrogen_Bond_Acceptor_Count	2
413544	Non-hydrogen_Atom_Count	21
117979204	Covalent_Unit_Count	1
53708930	Covalent_Unit_Count	1
108166	Structure_Complexity	913
101711052	Defined_Atom_Stereo_Count	5
5248607	Non-hydrogen_Atom_Count	7
578	Undefined_Atom_Stereo_Count	9
11837140	Defined_Bond_Stereo_Count	0
57261612	Mono_Isotopic_Weight	109.063997236
44321290	Covalent_Unit_Count	1
9942657	Undefined_Bond_Stereo_Count	0
5364714	XLogP3-AA	5.9
91936863	Structure_Complexity	1840
22902239	Molecular_Weight	94.11
10645	Exact_Mass	332.1113975
70191	Exact_Mass	123.03539970
447278	Undefined_Bond_Stereo_Count	0
60956	XLogP3-AA	0.3
79824	XLogP3	2.1
135013065	Undefined_Bond_Stereo_Count	0
7896	Tautomer_Count	1
13718	Mono_Isotopic_Weight	221.141578849
363357	Mono_Isotopic_Weight	326.235813585
681274	Undefined_Atom_Stereo_Count	0
112230	Defined_Atom_Stereo_Count	0
54700	Hydrogen_Bond_Acceptor_Count	4
81451	Defined_Bond_Stereo_Count	0
67375395	XLogP3-AA	2.8
634493	Hydrogen_Bond_Donor_Count	0
33068	Tautomer_Count	3
55067	Tautomer_Count	1
21650627	Undefined_Atom_Stereo_Count	1
153627081	Structure_Complexity	70.1
22507733	Undefined_Atom_Stereo_Count	0
61100	TPSA	121
136323	XLogP3-AA	2
9969177	TPSA	106
137326482	Defined_Bond_Stereo_Count	0
6917976	Hydrogen_Bond_Acceptor_Count	22
93290	Total_Formal_Charge	0
522251	Isotope_Atom_Count	0
54572926	Total_Formal_Charge	0
87280032	Defined_Bond_Stereo_Count	0
33400	Exact_Mass	343.036958
37678	Molecular_Weight	350.5
159027	Hydrogen_Bond_Acceptor_Count	1
13772685	Defined_Atom_Stereo_Count	0
15560	Structure_Complexity	288
24819	Rotatable_Bond_Count	0
65452	Tautomer_Count	3
5498	Defined_Bond_Stereo_Count	0
543014	Defined_Atom_Stereo_Count	0
53689772	Molecular_Weight	108.10
101987	Rotatable_Bond_Count	4
45934213	Undefined_Bond_Stereo_Count	0
40839	Undefined_Bond_Stereo_Count	0
85539715	Covalent_Unit_Count	1
13063590	Isotope_Atom_Count	0
20695916	Structure_Complexity	70.8
56218	Molecular_Weight	184.28
111032	Hydrogen_Bond_Donor_Count	0
82734	TPSA	61.6
11349505	Exact_Mass	379.0888035
101063449	Exact_Mass	442.19915329
17238	Non-hydrogen_Atom_Count	7
66708	TPSA	26.3
11715767	TPSA	57.8
42602097	XLogP3-AA	2.8
40240	Defined_Atom_Stereo_Count	2
13044948	XLogP3-AA	0.3
15920952	XLogP3-AA	1
85774373	Covalent_Unit_Count	1
48558	Undefined_Bond_Stereo_Count	0
6436003	Exact_Mass	466.21555225
836	Defined_Atom_Stereo_Count	0
266742	Undefined_Bond_Stereo_Count	0
40785065	Mono_Isotopic_Weight	404.25627424
7073	Covalent_Unit_Count	1
42153	Structure_Complexity	247
129626607	Non-hydrogen_Atom_Count	14
126480242	Undefined_Atom_Stereo_Count	0
66909	Molecular_Weight	262.33
9926791	Defined_Bond_Stereo_Count	0
52949543	Total_Formal_Charge	0
71587288	Non-hydrogen_Atom_Count	33
23687810	Structure_Complexity	118
6435110	Hydrogen_Bond_Donor_Count	6
26447	Mono_Isotopic_Weight	154.135765193
12607503	Molecular_Weight	96.13
75714	Non-hydrogen_Atom_Count	8
24090	Hydrogen_Bond_Acceptor_Count	0
36312	TPSA	20.2
88153938	Structure_Complexity	93.1
58806257	Hydrogen_Bond_Acceptor_Count	1
3073	Total_Formal_Charge	0
6866	Mono_Isotopic_Weight	196.9799046
19077508	Total_Formal_Charge	0
20024	Rotatable_Bond_Count	1
71343993	TPSA	52.8
9881504	Tautomer_Count	2
29976	Total_Formal_Charge	0
5372194	Rotatable_Bond_Count	2
15399127	TPSA	29.5
6165177	TPSA	160
37720	Non-hydrogen_Atom_Count	35
58247682	Defined_Atom_Stereo_Count	0
521796	Hydrogen_Bond_Donor_Count	0
10486805	Defined_Atom_Stereo_Count	0
5280570	Non-hydrogen_Atom_Count	32
58979809	Defined_Bond_Stereo_Count	0
38089	Undefined_Bond_Stereo_Count	0
9796440	Structure_Complexity	34.6
66383	Exact_Mass	541.23455300
6675	TPSA	153
57609	Non-hydrogen_Atom_Count	28
3853312	Undefined_Atom_Stereo_Count	0
84221363	Defined_Atom_Stereo_Count	0
39214	Non-hydrogen_Atom_Count	18
84339	Defined_Bond_Stereo_Count	0
68056645	Non-hydrogen_Atom_Count	8
10771	Molecular_Weight	248.71
400185	Defined_Atom_Stereo_Count	0
3047787	Undefined_Bond_Stereo_Count	0
14065290	Covalent_Unit_Count	1
60196265	Covalent_Unit_Count	3
521998	Structure_Complexity	206
17842471	Covalent_Unit_Count	1
9018	Hydrogen_Bond_Donor_Count	1
8037	Molecular_Weight	116.20
11553183	Total_Formal_Charge	0
6017	Hydrogen_Bond_Donor_Count	0
3035405	Molecular_Weight	1213.4
67749	XLogP3-AA	1.6
13180180	Undefined_Atom_Stereo_Count	0
40467109	Molecular_Weight	349.4
14020446	Covalent_Unit_Count	1
18522	Defined_Bond_Stereo_Count	0
377	Hydrogen_Bond_Donor_Count	6
22082547	Hydrogen_Bond_Acceptor_Count	3
95069	Mono_Isotopic_Weight	224.058577502
2724588	Defined_Bond_Stereo_Count	0
90488948	XLogP3-AA	1.9
69912	Covalent_Unit_Count	1
22078	Defined_Atom_Stereo_Count	0
260716	Non-hydrogen_Atom_Count	8
130232326	Hydrogen_Bond_Acceptor_Count	5
94228	Hydrogen_Bond_Donor_Count	2
5329103	Molecular_Weight	414.9
5486705	Hydrogen_Bond_Acceptor_Count	13
821500	Isotope_Atom_Count	0
547678	Rotatable_Bond_Count	2
26865	Rotatable_Bond_Count	3
398654	XLogP3-AA	0.5
113342	XLogP3-AA	1
5281897	Structure_Complexity	737
2293	Isotope_Atom_Count	0
18506426	Rotatable_Bond_Count	3
4855	Total_Formal_Charge	0
123133951	Covalent_Unit_Count	1
78062813	Defined_Atom_Stereo_Count	0
91231076	Non-hydrogen_Atom_Count	8
44548149	TPSA	116
12837	Structure_Complexity	185
543562	Structure_Complexity	98.3
2723810	Tautomer_Count	1
36242	Total_Formal_Charge	0
11482181	Non-hydrogen_Atom_Count	19
12279	Tautomer_Count	1
60759	Molecular_Weight	267.32
16415729	Non-hydrogen_Atom_Count	18
12675	Hydrogen_Bond_Donor_Count	0
107202	Hydrogen_Bond_Acceptor_Count	3
3606	Total_Formal_Charge	0
243	Molecular_Weight	122.12
6604495	Hydrogen_Bond_Donor_Count	4
10175096	Defined_Bond_Stereo_Count	0
45488106	Isotope_Atom_Count	0
124809074	TPSA	272
1429	Mono_Isotopic_Weight	280.20384475
21407	TPSA	29.1
2724995	Exact_Mass	239.10655327
98651	Non-hydrogen_Atom_Count	29
6624	Non-hydrogen_Atom_Count	17
10017965	Covalent_Unit_Count	1
37114	Hydrogen_Bond_Acceptor_Count	3
77456	TPSA	86
12743050	Structure_Complexity	121
79813	Covalent_Unit_Count	1
11349389	TPSA	61.8
70995	Tautomer_Count	1
2146	Isotope_Atom_Count	0
114905	Exact_Mass	509.27371521
68195	Mono_Isotopic_Weight	355.06604838
54166403	Non-hydrogen_Atom_Count	8
12699161	Rotatable_Bond_Count	0
91384976	Mono_Isotopic_Weight	665.30474055
88890	Mono_Isotopic_Weight	280.193948774
18004024	Covalent_Unit_Count	2
12088	Defined_Atom_Stereo_Count	0
131839562	XLogP3-AA	3.4
70291	Non-hydrogen_Atom_Count	11
11116296	Isotope_Atom_Count	0
134767951	Exact_Mass	303.14705815
13707457	Hydrogen_Bond_Donor_Count	0
95946	Isotope_Atom_Count	0
72014	Undefined_Bond_Stereo_Count	0
56665391	Defined_Atom_Stereo_Count	0
1551097	Structure_Complexity	385
67371	Total_Formal_Charge	0
10498042	Rotatable_Bond_Count	5
84042	Hydrogen_Bond_Acceptor_Count	3
57372628	Hydrogen_Bond_Acceptor_Count	3
5330472	Molecular_Weight	365.4
520660	Undefined_Bond_Stereo_Count	0
688669	Covalent_Unit_Count	1
68702	Molecular_Weight	266.30
223579	Defined_Bond_Stereo_Count	0
21791020	Structure_Complexity	77.7
594558	Hydrogen_Bond_Donor_Count	2
61341	Exact_Mass	146.036779430
135449281	Undefined_Atom_Stereo_Count	0
35405	Undefined_Bond_Stereo_Count	0
76049	Hydrogen_Bond_Donor_Count	0
23916	Undefined_Bond_Stereo_Count	1
19960955	Undefined_Bond_Stereo_Count	0
402035	Non-hydrogen_Atom_Count	32
22063278	Mono_Isotopic_Weight	97.089149355
98306	Rotatable_Bond_Count	2
138891	Undefined_Bond_Stereo_Count	0
105146	Rotatable_Bond_Count	0
92843	Mono_Isotopic_Weight	188.11609238
24848260	TPSA	54.1
40496	Total_Formal_Charge	0
119098876	XLogP3-AA	17.5
5282443	Structure_Complexity	336
9100	Hydrogen_Bond_Donor_Count	0
71793	Undefined_Bond_Stereo_Count	0
13898	TPSA	36.3
14759	Defined_Bond_Stereo_Count	0
137430	Undefined_Bond_Stereo_Count	0
24181320	Molecular_Weight	343.27
155817681	Rotatable_Bond_Count	1
12304	Total_Formal_Charge	0
11159305	Mono_Isotopic_Weight	110.073164938
60196286	Undefined_Atom_Stereo_Count	0
11719190	Structure_Complexity	616
74353448	Hydrogen_Bond_Donor_Count	4
72508	Non-hydrogen_Atom_Count	15
733076	Structure_Complexity	393
54492709	Molecular_Weight	110.11
71305057	Molecular_Weight	439.3
8430	XLogP3-AA	3.5
7422	Defined_Bond_Stereo_Count	0
10868	Total_Formal_Charge	0
22274879	Structure_Complexity	104
30874	Non-hydrogen_Atom_Count	13
73166146	Isotope_Atom_Count	0
23684896	Total_Formal_Charge	0
135019886	Isotope_Atom_Count	0
11954316	Undefined_Bond_Stereo_Count	0
8554	Molecular_Weight	194.18
7403	Undefined_Atom_Stereo_Count	0
122372096	Undefined_Bond_Stereo_Count	0
78131	Rotatable_Bond_Count	2
2645	Non-hydrogen_Atom_Count	37
13721	Tautomer_Count	1
21107383	XLogP3-AA	3.5
5916968	Rotatable_Bond_Count	13
58795738	Covalent_Unit_Count	1
272079	Defined_Atom_Stereo_Count	0
15757501	Undefined_Bond_Stereo_Count	0
88771736	Undefined_Atom_Stereo_Count	0
135686255	Non-hydrogen_Atom_Count	17
92024228	Hydrogen_Bond_Donor_Count	4
72026	Molecular_Weight	326.4
69340339	XLogP3-AA	0.3
23672302	Molecular_Weight	342.4
96034	Hydrogen_Bond_Acceptor_Count	1
13611193	Exact_Mass	108.093900383
3034048	Molecular_Weight	325.5
69610	Mono_Isotopic_Weight	99.98895804
210301	Defined_Atom_Stereo_Count	0
21057	Undefined_Bond_Stereo_Count	0
13594	Defined_Atom_Stereo_Count	0
11676981	Total_Formal_Charge	0
585174	TPSA	37.3
12105	Exact_Mass	120.057514874
19935912	Hydrogen_Bond_Acceptor_Count	1
13081	Exact_Mass	341.9738580
9274	Undefined_Atom_Stereo_Count	0
101874073	Defined_Bond_Stereo_Count	0
10855394	Non-hydrogen_Atom_Count	7
26388	Hydrogen_Bond_Acceptor_Count	6
31432	Undefined_Atom_Stereo_Count	0
58438464	Molecular_Weight	512.7
71758314	TPSA	37.3
3489	Total_Formal_Charge	0
24561	Structure_Complexity	2
6168933	Rotatable_Bond_Count	40
101656013	Defined_Atom_Stereo_Count	19
6438372	Covalent_Unit_Count	1
6185	Defined_Bond_Stereo_Count	0
53846435	Covalent_Unit_Count	1
14146878	Defined_Bond_Stereo_Count	0
43079	TPSA	20.3
21681979	Structure_Complexity	143
123600	Structure_Complexity	227
24916843	Structure_Complexity	989
23670774	Total_Formal_Charge	0
3316	Hydrogen_Bond_Acceptor_Count	2
13612132	Defined_Bond_Stereo_Count	0
187079	Structure_Complexity	687
77152	Covalent_Unit_Count	1
26747	Rotatable_Bond_Count	7
3829279	Defined_Bond_Stereo_Count	0
2782524	Undefined_Atom_Stereo_Count	0
121392876	Covalent_Unit_Count	1
54060494	Hydrogen_Bond_Donor_Count	1
638071	Undefined_Atom_Stereo_Count	0
688323	Exact_Mass	238.204513457
90227	Exact_Mass	382.13339621
5362858	Undefined_Atom_Stereo_Count	1
27448	Defined_Atom_Stereo_Count	0
54150248	Hydrogen_Bond_Donor_Count	1
16204530	Molecular_Weight	174.33
29809	Non-hydrogen_Atom_Count	25
115071571	Undefined_Atom_Stereo_Count	0
1549065	TPSA	77.6
251219	Undefined_Atom_Stereo_Count	1
12713	Non-hydrogen_Atom_Count	14
17845026	Total_Formal_Charge	0
18923031	Structure_Complexity	82.1
89131	Defined_Bond_Stereo_Count	0
68115	TPSA	59.9
6866	TPSA	12.9
74652204	Mono_Isotopic_Weight	500.1734795
4060	Hydrogen_Bond_Acceptor_Count	2
441	Hydrogen_Bond_Acceptor_Count	3
8001	Mono_Isotopic_Weight	199.88363
71311215	XLogP3-AA	0.4
42337	Isotope_Atom_Count	0
137673	Hydrogen_Bond_Donor_Count	0
123336	Undefined_Bond_Stereo_Count	0
53840809	Undefined_Bond_Stereo_Count	0
133478	Isotope_Atom_Count	0
7891	Undefined_Atom_Stereo_Count	0
15018	Undefined_Atom_Stereo_Count	0
839431	Isotope_Atom_Count	0
14552708	Undefined_Atom_Stereo_Count	1
47660	Isotope_Atom_Count	0
12100	Non-hydrogen_Atom_Count	9
13189	Tautomer_Count	1
11815712	Mono_Isotopic_Weight	1225.94005901
134019	Undefined_Bond_Stereo_Count	0
43536	Exact_Mass	354.230728204
4353	Exact_Mass	136.94763
25191018	Molecular_Weight	436.5
16135	Total_Formal_Charge	0
314710	Exact_Mass	171.99426317
43905	Undefined_Bond_Stereo_Count	0
16036825	Structure_Complexity	499
5491989	Hydrogen_Bond_Donor_Count	2
17832308	Hydrogen_Bond_Donor_Count	1
14140995	Hydrogen_Bond_Donor_Count	0
832495	Defined_Atom_Stereo_Count	0
10464455	Defined_Atom_Stereo_Count	0
129816	Undefined_Bond_Stereo_Count	0
68009554	Molecular_Weight	342.30
9883002	Tautomer_Count	1
1110	Rotatable_Bond_Count	3
83763	TPSA	20.2
4954	Hydrogen_Bond_Donor_Count	2
677105	Mono_Isotopic_Weight	301.0175567
20056743	Non-hydrogen_Atom_Count	26
2054	Isotope_Atom_Count	0
104806	Mono_Isotopic_Weight	61.987817862
738658	Non-hydrogen_Atom_Count	17
10473927	Hydrogen_Bond_Donor_Count	1
10004622	Undefined_Bond_Stereo_Count	0
38911	Molecular_Weight	268.35
60853	Mono_Isotopic_Weight	466.0997026
244867	Total_Formal_Charge	0
516910	TPSA	52.5
11697697	Tautomer_Count	5
248580	Tautomer_Count	3
284	Tautomer_Count	1
135440068	Exact_Mass	267.09675391
57978852	Mono_Isotopic_Weight	115.063328530
9956127	XLogP3-AA	4.6
6206	Molecular_Weight	197.15
5365811	Mono_Isotopic_Weight	98.073164938
36255	Mono_Isotopic_Weight	545.92082
74680	Hydrogen_Bond_Acceptor_Count	2
11662332	Undefined_Bond_Stereo_Count	0
21887872	Undefined_Bond_Stereo_Count	0
3033943	Undefined_Bond_Stereo_Count	0
28424	Total_Formal_Charge	0
66603137	Isotope_Atom_Count	0
22112092	Non-hydrogen_Atom_Count	7
92268	Covalent_Unit_Count	1
135564558	Isotope_Atom_Count	0
126480242	Non-hydrogen_Atom_Count	28
517296	Molecular_Weight	960.8
57394212	Non-hydrogen_Atom_Count	30
14008744	Covalent_Unit_Count	1
123964585	Isotope_Atom_Count	0
57734486	Non-hydrogen_Atom_Count	24
259361	XLogP3-AA	1
44338970	Total_Formal_Charge	0
40549	Rotatable_Bond_Count	0
53747824	Undefined_Bond_Stereo_Count	0
131668508	TPSA	332
19919	Mono_Isotopic_Weight	102.068079557
9852746	Total_Formal_Charge	0
9347	Hydrogen_Bond_Acceptor_Count	4
364849	Isotope_Atom_Count	0
5335	Defined_Atom_Stereo_Count	0
52943302	Mono_Isotopic_Weight	399.13944780
1232	Covalent_Unit_Count	1
659009	Undefined_Bond_Stereo_Count	0
17078	TPSA	20.2
227430	Undefined_Bond_Stereo_Count	0
591	Hydrogen_Bond_Acceptor_Count	22
15739357	Isotope_Atom_Count	0
74170	Non-hydrogen_Atom_Count	6
567743	Hydrogen_Bond_Acceptor_Count	3
159027	XLogP3-AA	0.6
433	Undefined_Atom_Stereo_Count	1
28292	Isotope_Atom_Count	0
5482	Hydrogen_Bond_Donor_Count	0
44395178	Undefined_Bond_Stereo_Count	0
136216662	Isotope_Atom_Count	0
155087254	Rotatable_Bond_Count	15
135779804	Rotatable_Bond_Count	4
15956520	Hydrogen_Bond_Acceptor_Count	9
138128	XLogP3-AA	0.5
28532	Total_Formal_Charge	0
92299	Mono_Isotopic_Weight	233.177964357
41969	Total_Formal_Charge	0
11105356	Undefined_Atom_Stereo_Count	0
403924	XLogP3-AA	4.2
17424	Defined_Atom_Stereo_Count	0
44539266	TPSA	146
752609	Exact_Mass	320.13722174
53947	Rotatable_Bond_Count	9
5486793	Non-hydrogen_Atom_Count	24
12830097	Rotatable_Bond_Count	4
300977	Exact_Mass	89.084063974
2735038	Mono_Isotopic_Weight	114.031694049
65535	TPSA	31.8
310360	Mono_Isotopic_Weight	309.05834059
94830	Hydrogen_Bond_Donor_Count	1
93550	Non-hydrogen_Atom_Count	16
439178	Covalent_Unit_Count	1
136197528	Isotope_Atom_Count	0
13347992	Rotatable_Bond_Count	0
6971097	Defined_Bond_Stereo_Count	0
14796	Mono_Isotopic_Weight	105.9110070
9966051	Exact_Mass	298.15036988
758	Non-hydrogen_Atom_Count	80
6713428	Defined_Bond_Stereo_Count	0
4521392	Hydrogen_Bond_Acceptor_Count	5
110964	Rotatable_Bond_Count	0
15790	Isotope_Atom_Count	0
14989	Hydrogen_Bond_Donor_Count	7
10073306	XLogP3-AA	1.8
156618033	Undefined_Atom_Stereo_Count	0
137944176	Total_Formal_Charge	0
153852218	Non-hydrogen_Atom_Count	7
96302	Hydrogen_Bond_Donor_Count	0
737769	Molecular_Weight	324.4
53302268	XLogP3-AA	0
64762	Defined_Atom_Stereo_Count	0
91667752	Defined_Bond_Stereo_Count	0
36976	Covalent_Unit_Count	1
25014598	Total_Formal_Charge	0
90703052	Undefined_Atom_Stereo_Count	0
3869	Defined_Atom_Stereo_Count	0
5665	Isotope_Atom_Count	0
11137094	Mono_Isotopic_Weight	94.078250319
68154	Tautomer_Count	1
24825264	Total_Formal_Charge	0
59983745	Hydrogen_Bond_Acceptor_Count	1
71893	Mono_Isotopic_Weight	139.063328530
18356755	Defined_Atom_Stereo_Count	0
71458236	Hydrogen_Bond_Donor_Count	3
14074	Hydrogen_Bond_Donor_Count	1
124762104	TPSA	190
6437648	Hydrogen_Bond_Acceptor_Count	2
299728	Hydrogen_Bond_Acceptor_Count	0
441245	Total_Formal_Charge	0
15884	Structure_Complexity	169
40466954	Rotatable_Bond_Count	5
83872174	Rotatable_Bond_Count	1
74570	Mono_Isotopic_Weight	162.9955546
130642949	Total_Formal_Charge	0
6431226	Defined_Atom_Stereo_Count	2
46173706	Defined_Bond_Stereo_Count	0
21889836	Structure_Complexity	1240
13576	Mono_Isotopic_Weight	156.151415257
6102820	Undefined_Atom_Stereo_Count	0
3083540	Molecular_Weight	385.7
46883936	Undefined_Bond_Stereo_Count	0
44352805	Mono_Isotopic_Weight	519.14640670
92626	Isotope_Atom_Count	0
44159252	Total_Formal_Charge	0
39722	Total_Formal_Charge	0
131885396	Molecular_Weight	309.38
6432434	Mono_Isotopic_Weight	332.23514488
15789550	Structure_Complexity	68.5
227274	Defined_Bond_Stereo_Count	0
9925	Non-hydrogen_Atom_Count	22
66080	Exact_Mass	96.093900383
16021	TPSA	20.2
53326689	Hydrogen_Bond_Acceptor_Count	5
649230	Exact_Mass	424.16343649
53387026	Exact_Mass	368.20346808
12676	Mono_Isotopic_Weight	191.93976
20470206	Molecular_Weight	108.18
6433573	Covalent_Unit_Count	1
408714	Undefined_Atom_Stereo_Count	1
543096	Rotatable_Bond_Count	1
258618	Hydrogen_Bond_Acceptor_Count	1
62816	Rotatable_Bond_Count	11
14805639	Total_Formal_Charge	0
11621437	Covalent_Unit_Count	1
60618	Tautomer_Count	1
46244454	Total_Formal_Charge	0
57370084	Defined_Atom_Stereo_Count	5
23675947	Rotatable_Bond_Count	5
5282398	Non-hydrogen_Atom_Count	43
11051613	Rotatable_Bond_Count	2
10349	Rotatable_Bond_Count	3
404291	Structure_Complexity	375
3033867	Tautomer_Count	1
64049	Undefined_Atom_Stereo_Count	0
22563957	Mono_Isotopic_Weight	114.104465066
38881	Total_Formal_Charge	0
22086042	Total_Formal_Charge	0
9817381	Exact_Mass	287.20965841
517637	Defined_Bond_Stereo_Count	0
12513420	Mono_Isotopic_Weight	98.073164938
57397461	Molecular_Weight	409.9
16089914	Mono_Isotopic_Weight	435.10452
151419	Mono_Isotopic_Weight	266.10150494
3047855	Structure_Complexity	1450
838844	XLogP3-AA	2.2
21973779	Undefined_Bond_Stereo_Count	0
12532405	Defined_Atom_Stereo_Count	0
22507733	TPSA	21.3
23674496	TPSA	105
71935	Mono_Isotopic_Weight	291.162314293
163304497	Mono_Isotopic_Weight	852.15113847
11576068	Defined_Bond_Stereo_Count	0
446222	Total_Formal_Charge	0
105000	Rotatable_Bond_Count	2
968645	Rotatable_Bond_Count	3
21236	Non-hydrogen_Atom_Count	9
11829373	Undefined_Bond_Stereo_Count	0
86806	TPSA	199
7793	Isotope_Atom_Count	0
60937	Defined_Atom_Stereo_Count	0
162678	Undefined_Bond_Stereo_Count	0
66588767	XLogP3-AA	2.5
15577855	Mono_Isotopic_Weight	110.073164938
5311201	Isotope_Atom_Count	0
122077	Total_Formal_Charge	0
80037	Total_Formal_Charge	0
12673	Covalent_Unit_Count	1
381117	Undefined_Bond_Stereo_Count	0
19860177	Molecular_Weight	99.13
91805	TPSA	40.9
13487685	Structure_Complexity	58.6
6437731	Hydrogen_Bond_Acceptor_Count	3
45248	Molecular_Weight	277.36
57586319	Undefined_Bond_Stereo_Count	0
69985	Hydrogen_Bond_Acceptor_Count	3
124072	Exact_Mass	372.15728848
157688	Hydrogen_Bond_Acceptor_Count	13
628181	Molecular_Weight	370.5
6992284	Undefined_Atom_Stereo_Count	0
17050	Molecular_Weight	171.24
57392964	Defined_Bond_Stereo_Count	0
4604180	Molecular_Weight	630.5
12799845	Isotope_Atom_Count	0
54727975	TPSA	82.4
7296	Non-hydrogen_Atom_Count	6
24066917	Exact_Mass	223.157228913
10898650	Non-hydrogen_Atom_Count	8
5323927	Isotope_Atom_Count	0
6917674	Covalent_Unit_Count	1
15677	Mono_Isotopic_Weight	285.18008961
77781	Rotatable_Bond_Count	8
715513	Undefined_Bond_Stereo_Count	0
2734230	TPSA	8.8
180559	Exact_Mass	266.16304257
5354280	XLogP3-AA	2.9
101142583	Covalent_Unit_Count	1
14440442	Mono_Isotopic_Weight	100.03851076
446286	Exact_Mass	425.14092740
10017965	TPSA	62.3
10443	Rotatable_Bond_Count	0
6427770	Isotope_Atom_Count	0
141297532	TPSA	38.6
242082	Structure_Complexity	119
692352	Non-hydrogen_Atom_Count	19
4160	Hydrogen_Bond_Donor_Count	1
60867	Total_Formal_Charge	0
5964	Hydrogen_Bond_Donor_Count	0
14784415	Molecular_Weight	97.12
13393280	Mono_Isotopic_Weight	104.094963011
31247	Structure_Complexity	86.5
5205	Exact_Mass	261.151749610
2335	Exact_Mass	412.321554582
521226	Isotope_Atom_Count	0
54111	Undefined_Bond_Stereo_Count	0
24180686	Total_Formal_Charge	0
10178705	XLogP3-AA	1.1
6560	Undefined_Bond_Stereo_Count	0
10029970	Isotope_Atom_Count	0
30923	Undefined_Bond_Stereo_Count	0
94508	Mono_Isotopic_Weight	180.06472551
15981894	Isotope_Atom_Count	0
90479783	Structure_Complexity	528
91739	Mono_Isotopic_Weight	240.9697338
12950121	Rotatable_Bond_Count	1
10329124	Hydrogen_Bond_Donor_Count	12
12768403	Undefined_Bond_Stereo_Count	0
72200722	Covalent_Unit_Count	1
653145	Exact_Mass	320.15362070
51358375	Isotope_Atom_Count	0
13250	Total_Formal_Charge	0
5378015	Rotatable_Bond_Count	2
444013	Total_Formal_Charge	0
135418283	Defined_Bond_Stereo_Count	1
4011971	Undefined_Bond_Stereo_Count	0
126521	TPSA	167
2724054	Defined_Atom_Stereo_Count	0
23545554	Defined_Atom_Stereo_Count	0
53320169	Non-hydrogen_Atom_Count	31
5312153	Tautomer_Count	6
154809859	Mono_Isotopic_Weight	665.30474055
14421	Undefined_Bond_Stereo_Count	0
524671	Non-hydrogen_Atom_Count	8
17355	Molecular_Weight	148.20
67374618	Molecular_Weight	398.5
71718453	Exact_Mass	361.07661306
6453	Total_Formal_Charge	0
126843213	Hydrogen_Bond_Acceptor_Count	91
9903970	Structure_Complexity	363
6433117	Isotope_Atom_Count	0
45046073	Isotope_Atom_Count	0
5354789	Exact_Mass	205.085126602
699165	Non-hydrogen_Atom_Count	16
66051	Isotope_Atom_Count	0
139356	Defined_Atom_Stereo_Count	0
575734	Undefined_Atom_Stereo_Count	0
304497	TPSA	87
692	XLogP3-AA	2.3
11256720	TPSA	70.7
81770	Molecular_Weight	102.18
5328940	Non-hydrogen_Atom_Count	36
446947	Molecular_Weight	216.08
10444413	Undefined_Atom_Stereo_Count	0
132274667	Undefined_Atom_Stereo_Count	1
14545018	Undefined_Atom_Stereo_Count	0
69027241	Mono_Isotopic_Weight	95.037113783
6411	Molecular_Weight	112.11
7971	TPSA	33.1
3033673	Rotatable_Bond_Count	5
65689	Hydrogen_Bond_Acceptor_Count	8
5234	Hydrogen_Bond_Donor_Count	0
10660	Exact_Mass	469.1880675
123885601	TPSA	46.2
20685	Exact_Mass	346.18273264
54392263	Structure_Complexity	66.8
164179927	Hydrogen_Bond_Donor_Count	4
4788452	Undefined_Bond_Stereo_Count	0
20767638	Covalent_Unit_Count	1
77213	Isotope_Atom_Count	0
5109	Rotatable_Bond_Count	5
96386	Undefined_Bond_Stereo_Count	0
91434	TPSA	123
64218	Isotope_Atom_Count	0
222199	Mono_Isotopic_Weight	200.10485899
8527	Defined_Bond_Stereo_Count	0
21192814	Covalent_Unit_Count	1
66573	Exact_Mass	240.089877630
20100130	Isotope_Atom_Count	0
7048523	Rotatable_Bond_Count	3
14494974	Hydrogen_Bond_Acceptor_Count	2
60196397	Hydrogen_Bond_Donor_Count	0
2752638	Defined_Bond_Stereo_Count	0
10038849	Hydrogen_Bond_Acceptor_Count	2
23668193	Mono_Isotopic_Weight	68.98267252
10953464	Hydrogen_Bond_Donor_Count	2
851833	Exact_Mass	230.0377538
121945	Structure_Complexity	561
596091	Rotatable_Bond_Count	4
124316	Hydrogen_Bond_Acceptor_Count	7
12295224	Mono_Isotopic_Weight	112.063662883
49769060	Mono_Isotopic_Weight	719.42446176
63982	Isotope_Atom_Count	0
86278404	TPSA	110
47795	Mono_Isotopic_Weight	229.08268182
496666	TPSA	66.4
6918248	Undefined_Atom_Stereo_Count	0
2801745	Undefined_Atom_Stereo_Count	0
59037463	Molecular_Weight	303.35
261000	Hydrogen_Bond_Donor_Count	1
101946434	Non-hydrogen_Atom_Count	1
14180	Hydrogen_Bond_Acceptor_Count	8
7516	Undefined_Bond_Stereo_Count	0
58044734	Exact_Mass	99.068413911
24901210	Isotope_Atom_Count	0
514	Rotatable_Bond_Count	7
4390	Defined_Atom_Stereo_Count	0
10613	Structure_Complexity	246
23128	Structure_Complexity	115
71567	Undefined_Atom_Stereo_Count	0
91563	Covalent_Unit_Count	1
135412609	Undefined_Bond_Stereo_Count	0
68022407	Covalent_Unit_Count	1
44630107	Undefined_Atom_Stereo_Count	1
11395145	Tautomer_Count	1
11625386	TPSA	72.7
11269429	Isotope_Atom_Count	0
9800068	Covalent_Unit_Count	2
152306	Isotope_Atom_Count	0
4629	Covalent_Unit_Count	1
162955	Molecular_Weight	378.5
19370943	Non-hydrogen_Atom_Count	8
141082	Hydrogen_Bond_Donor_Count	0
441328	Structure_Complexity	461
23688907	Defined_Bond_Stereo_Count	0
431097	XLogP3-AA	0.8
2691	Rotatable_Bond_Count	10
142059572	Defined_Bond_Stereo_Count	0
85495	Undefined_Bond_Stereo_Count	0
44576048	Undefined_Atom_Stereo_Count	0
61249	Total_Formal_Charge	0
12400910	Hydrogen_Bond_Donor_Count	0
92210	Undefined_Atom_Stereo_Count	2
3782034	Rotatable_Bond_Count	0
44392167	Hydrogen_Bond_Acceptor_Count	5
448126	Defined_Atom_Stereo_Count	3
139590596	Defined_Atom_Stereo_Count	8
55748	Mono_Isotopic_Weight	280.07355886
10855428	Total_Formal_Charge	0
71323	Covalent_Unit_Count	1
12920383	Undefined_Bond_Stereo_Count	0
1970	Total_Formal_Charge	0
443239	Undefined_Atom_Stereo_Count	0
900090	Defined_Bond_Stereo_Count	0
21783	Hydrogen_Bond_Donor_Count	1
139087298	Exact_Mass	255.10414797
140181	Undefined_Bond_Stereo_Count	0
49778730	Defined_Bond_Stereo_Count	0
84896	Undefined_Atom_Stereo_Count	0
3425	XLogP3-AA	2.2
79875564	Hydrogen_Bond_Donor_Count	1
5280443	Mono_Isotopic_Weight	270.05282342
34875	Defined_Bond_Stereo_Count	0
2752647	Isotope_Atom_Count	0
91747288	Hydrogen_Bond_Acceptor_Count	2
6868	Exact_Mass	239.02522894
23269081	XLogP3-AA	2.2
10427712	Exact_Mass	346.11782371
9795276	Total_Formal_Charge	0
20711973	Exact_Mass	105.057849228
214339	XLogP3-AA	4
51701	Isotope_Atom_Count	0
76013	Total_Formal_Charge	0
118210179	Defined_Atom_Stereo_Count	0
91749	Exact_Mass	221.0243562
6488	Tautomer_Count	5
5636	Hydrogen_Bond_Acceptor_Count	5
9818540	Tautomer_Count	3
62773515	Covalent_Unit_Count	1
45266503	Defined_Bond_Stereo_Count	0
21852	Rotatable_Bond_Count	2
55289386	Hydrogen_Bond_Donor_Count	1
56672294	Defined_Atom_Stereo_Count	0
12310714	Hydrogen_Bond_Donor_Count	3
139171223	Rotatable_Bond_Count	5
7017101	Hydrogen_Bond_Donor_Count	0
971	TPSA	74.6
1385867	Rotatable_Bond_Count	3
19044091	Hydrogen_Bond_Donor_Count	3
67810472	Non-hydrogen_Atom_Count	23
6538	Non-hydrogen_Atom_Count	20
4017	Hydrogen_Bond_Donor_Count	18
9985199	XLogP3-AA	4.1
55113	Molecular_Weight	306.0
423375	Mono_Isotopic_Weight	171.08301860
861	Structure_Complexity	402
139087380	Undefined_Bond_Stereo_Count	0
23221	Non-hydrogen_Atom_Count	16
74210	Undefined_Atom_Stereo_Count	0
13398	Exact_Mass	140.120115130
67564795	Defined_Atom_Stereo_Count	0
43598	Non-hydrogen_Atom_Count	15
875202	Non-hydrogen_Atom_Count	16
1533	XLogP3	0.6
54152337	Defined_Bond_Stereo_Count	0
9850430	Rotatable_Bond_Count	8
95913783	Non-hydrogen_Atom_Count	7
56520	Molecular_Weight	253.34
595999	Undefined_Atom_Stereo_Count	2
21932259	Mono_Isotopic_Weight	405.02516722
9734	Structure_Complexity	108
7794	Tautomer_Count	2
67247924	Isotope_Atom_Count	0
2734996	Mono_Isotopic_Weight	360.833646
67532	Hydrogen_Bond_Acceptor_Count	4
77372	Covalent_Unit_Count	1
65630	Molecular_Weight	231.29
9869929	Molecular_Weight	483.9
75311	Tautomer_Count	1
529432	Undefined_Bond_Stereo_Count	0
1548972	Structure_Complexity	590
119083105	Isotope_Atom_Count	0
136307	Molecular_Weight	128.09
162171	XLogP3	2.5
530422	Non-hydrogen_Atom_Count	10
534496	Hydrogen_Bond_Donor_Count	0
14728565	Non-hydrogen_Atom_Count	15
60196294	Isotope_Atom_Count	0
165906266	Molecular_Weight	98.15
522446	Hydrogen_Bond_Acceptor_Count	1
239760	Rotatable_Bond_Count	3
22623468	Mono_Isotopic_Weight	99.104799419
7055	Total_Formal_Charge	0
6435378	Non-hydrogen_Atom_Count	26
96379	Isotope_Atom_Count	0
3568	Isotope_Atom_Count	0
6433082	Rotatable_Bond_Count	10
572802	Undefined_Bond_Stereo_Count	0
81821	Undefined_Bond_Stereo_Count	0
11218470	Hydrogen_Bond_Acceptor_Count	3
84640	Non-hydrogen_Atom_Count	8
6780	Total_Formal_Charge	0
5149	Total_Formal_Charge	0
8821	Isotope_Atom_Count	0
26945	Rotatable_Bond_Count	8
53298027	XLogP3	2.7
4954	Undefined_Bond_Stereo_Count	1
104798	Structure_Complexity	0
77222	Hydrogen_Bond_Donor_Count	1
129692694	Molecular_Weight	110.15
12004215	Defined_Atom_Stereo_Count	9
57973135	Defined_Atom_Stereo_Count	3
24987688	Defined_Atom_Stereo_Count	8
252163	XLogP3	0.8
5929	Rotatable_Bond_Count	3
15741339	TPSA	29.1
53232451	Non-hydrogen_Atom_Count	26
63409	Total_Formal_Charge	0
185915	Undefined_Bond_Stereo_Count	0
29976098	Structure_Complexity	596
45345	Covalent_Unit_Count	1
23039782	Covalent_Unit_Count	1
5540	Rotatable_Bond_Count	13
49868370	XLogP3	0.9
8115	TPSA	9.2
5289501	Molecular_Weight	348.5
11560610	Isotope_Atom_Count	0
14344952	Molecular_Weight	112.13
2020	Defined_Bond_Stereo_Count	0
2734163	Covalent_Unit_Count	2
151014	Covalent_Unit_Count	1
3033767	Total_Formal_Charge	0
5352449	Molecular_Weight	248.4
5358941	Total_Formal_Charge	0
12933274	Hydrogen_Bond_Acceptor_Count	1
84720	Molecular_Weight	266.5
6440792	Undefined_Atom_Stereo_Count	0
9576891	Undefined_Bond_Stereo_Count	0
6852393	Tautomer_Count	3
213049	Non-hydrogen_Atom_Count	33
27383	Exact_Mass	271.0975211
527256	Undefined_Atom_Stereo_Count	3
6420378	Non-hydrogen_Atom_Count	7
67473	XLogP3	2.5
199758	Non-hydrogen_Atom_Count	23
9884439	Total_Formal_Charge	0
18822	Total_Formal_Charge	0
3295461	Covalent_Unit_Count	1
5370611	Defined_Bond_Stereo_Count	1
53497429	Non-hydrogen_Atom_Count	40
9851505	Structure_Complexity	141
5283748	Structure_Complexity	688
9957766	TPSA	105
98310	XLogP3-AA	4.6
8599	Structure_Complexity	583
97046	Rotatable_Bond_Count	11
2566	Defined_Atom_Stereo_Count	0
22977906	Undefined_Bond_Stereo_Count	0
2729	Isotope_Atom_Count	0
13889162	Defined_Atom_Stereo_Count	0
12732836	Hydrogen_Bond_Acceptor_Count	1
66828839	Hydrogen_Bond_Donor_Count	3
88464430	Non-hydrogen_Atom_Count	8
6713312	Undefined_Atom_Stereo_Count	3
54231313	Rotatable_Bond_Count	0
5460348	Undefined_Bond_Stereo_Count	0
3379942	Molecular_Weight	510.5
21359349	Hydrogen_Bond_Acceptor_Count	1
53931	Defined_Bond_Stereo_Count	0
129627816	Undefined_Bond_Stereo_Count	0
6971096	Covalent_Unit_Count	1
31250	TPSA	77.9
5288494	TPSA	37.3
17816433	Structure_Complexity	74.2
561193	Structure_Complexity	210
125449602	Defined_Atom_Stereo_Count	0
3337411	Molecular_Weight	388.31
76997051	Covalent_Unit_Count	1
13262524	TPSA	25.8
135697	Mono_Isotopic_Weight	112.016043985
6452300	Mono_Isotopic_Weight	156.847063
66604	Mono_Isotopic_Weight	207.9330139
85653	Hydrogen_Bond_Donor_Count	0
7567	Defined_Bond_Stereo_Count	0
704528	XLogP3-AA	1.5
18952325	TPSA	38.4
11949646	Defined_Atom_Stereo_Count	6
138319323	Structure_Complexity	756
24742076	Structure_Complexity	642
14440271	Rotatable_Bond_Count	2
54718618	Exact_Mass	460.07454252
2404	Undefined_Atom_Stereo_Count	1
5311221	Non-hydrogen_Atom_Count	31
6659	Rotatable_Bond_Count	2
85178	Defined_Bond_Stereo_Count	0
80274	Hydrogen_Bond_Donor_Count	3
8501	Exact_Mass	173.9639201
547064	Hydrogen_Bond_Donor_Count	0
16049374	Defined_Bond_Stereo_Count	0
70681777	Undefined_Bond_Stereo_Count	0
54580765	Mono_Isotopic_Weight	374.04357917
79043	TPSA	0
91475	Rotatable_Bond_Count	2
265652	Molecular_Weight	106.15
61341	Undefined_Atom_Stereo_Count	0
5282109	Mono_Isotopic_Weight	182.130679813
54492709	Defined_Atom_Stereo_Count	0
20060494	Undefined_Atom_Stereo_Count	1
54267	Rotatable_Bond_Count	2
1548954	XLogP3-AA	7.2
5311493	Undefined_Bond_Stereo_Count	0
6100711	Covalent_Unit_Count	2
19602	Defined_Atom_Stereo_Count	0
38668	Rotatable_Bond_Count	3
403829	Defined_Bond_Stereo_Count	0
6319	Undefined_Bond_Stereo_Count	0
160538	Undefined_Atom_Stereo_Count	1
135391135	Isotope_Atom_Count	0
38085	Molecular_Weight	313.15
82143	Structure_Complexity	316
135569018	Undefined_Bond_Stereo_Count	0
87870897	Non-hydrogen_Atom_Count	8
20096720	Non-hydrogen_Atom_Count	8
53315818	Hydrogen_Bond_Donor_Count	2
34260	Exact_Mass	356.29265975
8492	Molecular_Weight	172.57
65918814	Isotope_Atom_Count	0
146345448	Hydrogen_Bond_Acceptor_Count	3
3392731	Hydrogen_Bond_Donor_Count	2
12431566	Non-hydrogen_Atom_Count	7
16125	Mono_Isotopic_Weight	175.9795702
66296	Tautomer_Count	6
91590871	Defined_Bond_Stereo_Count	0
27712	Isotope_Atom_Count	0
164486	Structure_Complexity	248
44422	Defined_Atom_Stereo_Count	0
94268	Mono_Isotopic_Weight	98.073164938
57037620	Covalent_Unit_Count	1
60203	Non-hydrogen_Atom_Count	16
4630	Undefined_Bond_Stereo_Count	0
148119	Undefined_Bond_Stereo_Count	0
10989	Total_Formal_Charge	0
25244520	Non-hydrogen_Atom_Count	10
98044588	Hydrogen_Bond_Acceptor_Count	2
441290	Hydrogen_Bond_Donor_Count	1
9577004	Rotatable_Bond_Count	1
14626857	Defined_Bond_Stereo_Count	0
142403638	Defined_Atom_Stereo_Count	0
46173802	Exact_Mass	562.09649219
91434	Rotatable_Bond_Count	4
195432	Rotatable_Bond_Count	8
537677	Covalent_Unit_Count	1
9399	Hydrogen_Bond_Acceptor_Count	6
123816	Isotope_Atom_Count	0
535535	Undefined_Atom_Stereo_Count	0
7398	Isotope_Atom_Count	0
6336554	Defined_Bond_Stereo_Count	0
15981323	Undefined_Atom_Stereo_Count	0
65888	Covalent_Unit_Count	1
2392	Total_Formal_Charge	0
23219736	Rotatable_Bond_Count	2
3047795	Structure_Complexity	234
23667631	Covalent_Unit_Count	2
123684474	Hydrogen_Bond_Donor_Count	0
67413	Structure_Complexity	467
36245	XLogP3-AA	2
86014	Rotatable_Bond_Count	0
156614100	Defined_Atom_Stereo_Count	0
6913588	Structure_Complexity	177
139062655	Covalent_Unit_Count	4
8949	Exact_Mass	213.9963942
98162749	Mono_Isotopic_Weight	284.16237386
968688	XLogP3	3.5
71988	Undefined_Atom_Stereo_Count	0
86435	Covalent_Unit_Count	1
88974141	Total_Formal_Charge	0
3326	Undefined_Bond_Stereo_Count	0
12074193	Rotatable_Bond_Count	6
7309	Hydrogen_Bond_Donor_Count	1
73949	Undefined_Bond_Stereo_Count	0
56654130	Non-hydrogen_Atom_Count	36
17894357	XLogP3-AA	0.5
62330	Molecular_Weight	380.4
11542775	Total_Formal_Charge	0
19828862	Undefined_Atom_Stereo_Count	0
146159711	Undefined_Bond_Stereo_Count	5
529266	Defined_Bond_Stereo_Count	0
12669677	Defined_Atom_Stereo_Count	6
122360911	Structure_Complexity	151
46830239	Isotope_Atom_Count	0
2762874	Hydrogen_Bond_Donor_Count	0
12513420	XLogP3-AA	0.9
9912474	Mono_Isotopic_Weight	468.20490738
11861988	Exact_Mass	134.096974387
59743205	Total_Formal_Charge	0
10011883	Non-hydrogen_Atom_Count	8
19028612	Mono_Isotopic_Weight	116.083729621
25778	Structure_Complexity	314
20056440	Rotatable_Bond_Count	4
521280	Defined_Bond_Stereo_Count	0
90707927	Molecular_Weight	108.18
6334	TPSA	0
1470719	Total_Formal_Charge	0
101100163	Molecular_Weight	235.28
87900	Defined_Bond_Stereo_Count	0
122797	Defined_Atom_Stereo_Count	4
123237074	Undefined_Atom_Stereo_Count	1
61627	Structure_Complexity	122
17190	Undefined_Bond_Stereo_Count	0
20521791	Rotatable_Bond_Count	1
139121	Defined_Atom_Stereo_Count	0
1162	Covalent_Unit_Count	1
85178	Structure_Complexity	281
11510	Hydrogen_Bond_Donor_Count	2
6033664	TPSA	59.3
135403802	Undefined_Atom_Stereo_Count	1
20387208	Undefined_Atom_Stereo_Count	2
31281	Defined_Bond_Stereo_Count	0
50905713	Mono_Isotopic_Weight	416.1152369
56680336	Hydrogen_Bond_Acceptor_Count	8
12578534	Defined_Bond_Stereo_Count	0
11651149	Covalent_Unit_Count	1
190217	Hydrogen_Bond_Donor_Count	0
2724290	Undefined_Atom_Stereo_Count	0
67329	Hydrogen_Bond_Acceptor_Count	6
447634	Mono_Isotopic_Weight	230.01915430
83224	Covalent_Unit_Count	1
99295	Covalent_Unit_Count	1
22097456	Total_Formal_Charge	0
119097554	Total_Formal_Charge	0
117659387	Molecular_Weight	110.15
15982150	Isotope_Atom_Count	0
67713	Total_Formal_Charge	0
60153262	Mono_Isotopic_Weight	406.07042274
5350	Total_Formal_Charge	0
6518168	Isotope_Atom_Count	0
520301	Rotatable_Bond_Count	1
1069125	Defined_Bond_Stereo_Count	0
595230	TPSA	53.1
3754	Covalent_Unit_Count	1
11708	XLogP3-AA	1.9
8723	Covalent_Unit_Count	1
11229455	XLogP3-AA	0.9
87825887	Hydrogen_Bond_Donor_Count	0
5363388	Hydrogen_Bond_Acceptor_Count	2
504659	Isotope_Atom_Count	0
6530	Defined_Atom_Stereo_Count	0
5367805	Structure_Complexity	106
890718	Undefined_Atom_Stereo_Count	0
17945614	Structure_Complexity	82.5
11534	Undefined_Atom_Stereo_Count	0
22712811	Defined_Bond_Stereo_Count	0
2130404	Covalent_Unit_Count	1
16070030	Hydrogen_Bond_Acceptor_Count	0
35970	Undefined_Atom_Stereo_Count	0
14069	Covalent_Unit_Count	1
9906028	Defined_Atom_Stereo_Count	1
20849290	Undefined_Bond_Stereo_Count	0
57401682	Hydrogen_Bond_Donor_Count	2
66599893	Non-hydrogen_Atom_Count	34
114129	Non-hydrogen_Atom_Count	10
44310775	Defined_Atom_Stereo_Count	2
6604087	Defined_Atom_Stereo_Count	3
52941509	TPSA	42.4
96396	Undefined_Atom_Stereo_Count	0
12005	Non-hydrogen_Atom_Count	9
11344362	Molecular_Weight	181.15
11988953	Undefined_Atom_Stereo_Count	0
91589206	Undefined_Atom_Stereo_Count	1
53701126	Molecular_Weight	109.17
12951370	Non-hydrogen_Atom_Count	8
6068	Hydrogen_Bond_Acceptor_Count	2
2673	Covalent_Unit_Count	1
9948894	Mono_Isotopic_Weight	318.06742811
138477	Defined_Bond_Stereo_Count	0
129209	Tautomer_Count	1
24997747	Undefined_Atom_Stereo_Count	0
14660779	Defined_Bond_Stereo_Count	0
18377249	Rotatable_Bond_Count	2
9794842	Hydrogen_Bond_Acceptor_Count	2
20146588	Total_Formal_Charge	0
9031	Molecular_Weight	259.68
84221363	Undefined_Atom_Stereo_Count	0
441414	Defined_Atom_Stereo_Count	4
423438	Covalent_Unit_Count	2
53316474	XLogP3-AA	2.8
115817	Mono_Isotopic_Weight	412.0262629
11467403	TPSA	64.2
90360523	Undefined_Bond_Stereo_Count	0
121493082	Molecular_Weight	6435
65493	Defined_Atom_Stereo_Count	0
123597	Undefined_Atom_Stereo_Count	1
138062	Total_Formal_Charge	0
137349890	Hydrogen_Bond_Acceptor_Count	4
101694728	Mono_Isotopic_Weight	450.01256932
11596881	Isotope_Atom_Count	0
57336513	Structure_Complexity	2660
5359371	Total_Formal_Charge	0
4331	TPSA	130
4042	Hydrogen_Bond_Donor_Count	0
85945	Non-hydrogen_Atom_Count	11
12494777	Undefined_Bond_Stereo_Count	0
92843	Defined_Atom_Stereo_Count	1
9765	Undefined_Atom_Stereo_Count	0
129317883	Covalent_Unit_Count	1
134669	Exact_Mass	179.06161445
6440178	Rotatable_Bond_Count	4
12236733	Defined_Bond_Stereo_Count	0
91984	Non-hydrogen_Atom_Count	14
25150857	Defined_Bond_Stereo_Count	0
5329106	Defined_Atom_Stereo_Count	0
59736263	XLogP3-AA	0.6
156595906	Undefined_Atom_Stereo_Count	8
12313523	Hydrogen_Bond_Acceptor_Count	1
59473233	XLogP3-AA	3.6
9154	Hydrogen_Bond_Acceptor_Count	0
2002	Defined_Atom_Stereo_Count	0
16136245	Isotope_Atom_Count	0
89875063	Non-hydrogen_Atom_Count	8
11271640	Non-hydrogen_Atom_Count	28
21798	Defined_Bond_Stereo_Count	0
91231076	XLogP3-AA	1.5
2733660	Exact_Mass	267.87215
7730	Non-hydrogen_Atom_Count	9
131699179	Non-hydrogen_Atom_Count	12
6395	Hydrogen_Bond_Acceptor_Count	3
74886	Structure_Complexity	731
135565635	Rotatable_Bond_Count	2
6097028	Undefined_Atom_Stereo_Count	0
44630020	Mono_Isotopic_Weight	497.12580676
123779724	Defined_Bond_Stereo_Count	0
148429079	Defined_Atom_Stereo_Count	0
5352133	Molecular_Weight	373.27
283	XLogP3-AA	0.5
146474256	Hydrogen_Bond_Acceptor_Count	2
219096	Total_Formal_Charge	0
89800161	XLogP3-AA	7.5
135554441	Total_Formal_Charge	0
16969	Exact_Mass	120.093900383
198061	XLogP3-AA	3.5
13330488	Molecular_Weight	84.12
12632928	Mono_Isotopic_Weight	97.089149355
154516221	Hydrogen_Bond_Acceptor_Count	0
15232	Hydrogen_Bond_Donor_Count	6
98043898	Mono_Isotopic_Weight	416.32904526
4604	TPSA	108
123167244	TPSA	18.5
54603930	Covalent_Unit_Count	2
24864721	Rotatable_Bond_Count	9
133059	Covalent_Unit_Count	2
83779	Covalent_Unit_Count	1
54677674	Isotope_Atom_Count	0
3467	Molecular_Weight	477.6
21563	TPSA	32.5
14454	XLogP3-AA	1.6
250451	Defined_Atom_Stereo_Count	0
439302	Molecular_Weight	1007.2
16669	Structure_Complexity	94.7
54608508	Defined_Bond_Stereo_Count	2
1117	Undefined_Atom_Stereo_Count	0
22829	Undefined_Bond_Stereo_Count	0
65223	Defined_Atom_Stereo_Count	0
32592	Defined_Bond_Stereo_Count	0
439568	Tautomer_Count	1
57396887	Non-hydrogen_Atom_Count	24
20504	Structure_Complexity	198
66755	Undefined_Bond_Stereo_Count	0
589692	Covalent_Unit_Count	1
7700	Structure_Complexity	186
24763119	Undefined_Atom_Stereo_Count	0
40469377	Total_Formal_Charge	1
14546	Mono_Isotopic_Weight	215.9744848
46936995	Exact_Mass	246.05045443
139758	Covalent_Unit_Count	1
87853465	Isotope_Atom_Count	0
138991601	XLogP3-AA	4.6
39484	Rotatable_Bond_Count	1
130128864	Covalent_Unit_Count	1
80168	Undefined_Atom_Stereo_Count	0
4020	Defined_Atom_Stereo_Count	0
5702144	Undefined_Atom_Stereo_Count	0
134070	Molecular_Weight	416.6
20592404	Isotope_Atom_Count	0
102447462	TPSA	110
20585	TPSA	89.5
2761399	Total_Formal_Charge	0
235905	Hydrogen_Bond_Donor_Count	1
13248583	Non-hydrogen_Atom_Count	8
57750329	Hydrogen_Bond_Acceptor_Count	5
18171	Isotope_Atom_Count	0
31203	Exact_Mass	360.363025472
56929	Mono_Isotopic_Weight	546.42481153
10630446	Molecular_Weight	100.12
42580057	Covalent_Unit_Count	1
11503972	Exact_Mass	324.14739250
8169	Undefined_Bond_Stereo_Count	0
6419108	Defined_Bond_Stereo_Count	0
71986	Exact_Mass	284.0927701
65717	Tautomer_Count	1
102201652	Rotatable_Bond_Count	19
22636790	XLogP3-AA	0
8763	Tautomer_Count	1
79081	Structure_Complexity	52.1
267571	Rotatable_Bond_Count	2
67541	Structure_Complexity	263
441145	Covalent_Unit_Count	1
15287	Covalent_Unit_Count	1
77676	Structure_Complexity	151
16220095	Mono_Isotopic_Weight	525.24750046
52950209	Covalent_Unit_Count	1
791	Mono_Isotopic_Weight	131.094628657
1551553	Hydrogen_Bond_Acceptor_Count	4
51051642	Mono_Isotopic_Weight	861.37829941
73167270	Exact_Mass	113.084063974
136649217	Undefined_Atom_Stereo_Count	3
77967	Molecular_Weight	256.23
10702	Total_Formal_Charge	0
42609626	Exact_Mass	203.0713064
73949	Tautomer_Count	2
6420038	Isotope_Atom_Count	0
10285780	Total_Formal_Charge	0
5353923	Covalent_Unit_Count	1
14494973	Hydrogen_Bond_Donor_Count	0
9947	Undefined_Atom_Stereo_Count	0
16072219	TPSA	173
466959	TPSA	177
57403815	Exact_Mass	539.22426310
6918840	Rotatable_Bond_Count	13
562176	TPSA	35.5
69275	Undefined_Bond_Stereo_Count	0
129364810	Isotope_Atom_Count	0
84715999	Rotatable_Bond_Count	1
4871804	Undefined_Bond_Stereo_Count	0
121596006	Structure_Complexity	1220
135738852	Mono_Isotopic_Weight	842.51400504
5380876	Undefined_Atom_Stereo_Count	1
9904502	Total_Formal_Charge	0
656917	Isotope_Atom_Count	0
54582799	Structure_Complexity	267
65280	Molecular_Weight	295.32
98043899	Exact_Mass	416.32904526
51375035	Undefined_Atom_Stereo_Count	0
135019886	Non-hydrogen_Atom_Count	23
16220118	Non-hydrogen_Atom_Count	21
3085023	Total_Formal_Charge	0
3777159	Rotatable_Bond_Count	3
57399651	Exact_Mass	320.0900848
22420437	Defined_Atom_Stereo_Count	0
689784	Molecular_Weight	325.27
2193	XLogP3	2.7
46907953	Undefined_Atom_Stereo_Count	0
16049160	Defined_Atom_Stereo_Count	1
11020	Defined_Atom_Stereo_Count	0
31620	Molecular_Weight	548.6
580057	Defined_Atom_Stereo_Count	0
68740500	Structure_Complexity	248
21884	Total_Formal_Charge	0
517383	Exact_Mass	264.09736792
650960	Undefined_Bond_Stereo_Count	0
545127	Defined_Atom_Stereo_Count	0
76965484	Undefined_Atom_Stereo_Count	0
91438571	Mono_Isotopic_Weight	105.057849228
364	Hydrogen_Bond_Acceptor_Count	4
4764	Defined_Atom_Stereo_Count	0
94242	Exact_Mass	152.0392780
6514	Total_Formal_Charge	0
3002335	Exact_Mass	511.18959167
5288706	Isotope_Atom_Count	0
5124249	Molecular_Weight	220.27
21996040	TPSA	20.2
255	Molecular_Weight	340.18
832	Defined_Bond_Stereo_Count	0
145755	Tautomer_Count	9
44409094	Structure_Complexity	519
51605	Molecular_Weight	301.34
43558816	Molecular_Weight	114.10
19847	Exact_Mass	281.9554066
705388	XLogP3-AA	3.8
337310	XLogP3-AA	0.2
3884	Exact_Mass	242.094294304
114853	Covalent_Unit_Count	1
129146	Structure_Complexity	205
118209567	Covalent_Unit_Count	1
160051	Tautomer_Count	1
71183	Undefined_Bond_Stereo_Count	0
23724963	Total_Formal_Charge	0
9959269	TPSA	111
9590	Undefined_Atom_Stereo_Count	0
11241	XLogP3-AA	2.1
13454	Mono_Isotopic_Weight	261.06709375
118529	Isotope_Atom_Count	0
10864881	Exact_Mass	114.068079557
8354	Undefined_Bond_Stereo_Count	0
137105	Undefined_Atom_Stereo_Count	0
6210	Structure_Complexity	63.1
67317342	Molecular_Weight	100.16
124723	Non-hydrogen_Atom_Count	9
5287494	Hydrogen_Bond_Acceptor_Count	3
6222	Covalent_Unit_Count	1
53786	Molecular_Weight	370.4
91272	Hydrogen_Bond_Donor_Count	7
6918314	Mono_Isotopic_Weight	441.21647512
2737701	Structure_Complexity	76.8
8012	Molecular_Weight	90.19
10898	Tautomer_Count	1
104955	Tautomer_Count	1
11094587	Covalent_Unit_Count	1
83979	Rotatable_Bond_Count	5
439756	Defined_Atom_Stereo_Count	1
11700696	Undefined_Bond_Stereo_Count	0
10330532	Hydrogen_Bond_Donor_Count	1
101670359	Undefined_Bond_Stereo_Count	0
14362	Structure_Complexity	372
455658	Non-hydrogen_Atom_Count	44
13220194	Non-hydrogen_Atom_Count	15
17671	Hydrogen_Bond_Donor_Count	0
16083167	Exact_Mass	338.99670
5319404	Covalent_Unit_Count	1
24180719	Mono_Isotopic_Weight	413.0412465
2752648	Rotatable_Bond_Count	1
11637	Molecular_Weight	67.52
20793238	Undefined_Atom_Stereo_Count	0
1736	Undefined_Atom_Stereo_Count	3
9573395	Total_Formal_Charge	0
16722832	Rotatable_Bond_Count	8
23087	TPSA	50.1
12564	Rotatable_Bond_Count	1
55288256	Covalent_Unit_Count	1
49170	Defined_Bond_Stereo_Count	0
3052772	Structure_Complexity	412
22222161	XLogP3-AA	0.5
3132	Hydrogen_Bond_Acceptor_Count	4
13207	Total_Formal_Charge	0
13244862	Isotope_Atom_Count	0
129317846	Mono_Isotopic_Weight	1029.60248569
46889118	Molecular_Weight	281.31
6300	Undefined_Atom_Stereo_Count	0
135458645	Undefined_Bond_Stereo_Count	3
9568628	Undefined_Atom_Stereo_Count	0
21943991	XLogP3-AA	2.2
14724482	TPSA	552
445319	Non-hydrogen_Atom_Count	7
45139106	Undefined_Bond_Stereo_Count	0
5379102	TPSA	29.1
537877	Hydrogen_Bond_Acceptor_Count	1
55305	Undefined_Atom_Stereo_Count	1
64972	Defined_Bond_Stereo_Count	0
9956189	TPSA	88.6
37144	Undefined_Bond_Stereo_Count	0
21414	Hydrogen_Bond_Donor_Count	1
95809	TPSA	0
49862577	Molecular_Weight	426.5
10236	Exact_Mass	178.02660867
54685524	Rotatable_Bond_Count	5
59107469	Total_Formal_Charge	0
237041	Undefined_Atom_Stereo_Count	0
920954	Rotatable_Bond_Count	2
11636326	Structure_Complexity	606
63011	Rotatable_Bond_Count	5
29742	Hydrogen_Bond_Donor_Count	2
4432	Hydrogen_Bond_Acceptor_Count	3
44126083	Rotatable_Bond_Count	5
153986581	XLogP3-AA	0.1
7067872	XLogP3	0.9
52949760	Exact_Mass	369.18748367
141315890	Isotope_Atom_Count	0
544563	Molecular_Weight	112.17
704205	Undefined_Atom_Stereo_Count	0
10946	Undefined_Atom_Stereo_Count	0
136257950	TPSA	209
6481	Non-hydrogen_Atom_Count	18
443874	Tautomer_Count	3
403648	Molecular_Weight	384.7
78576	Mono_Isotopic_Weight	189.126597491
60196380	Non-hydrogen_Atom_Count	16
91855653	Hydrogen_Bond_Donor_Count	8
124298532	Structure_Complexity	382
70837	Isotope_Atom_Count	0
54569511	Undefined_Bond_Stereo_Count	0
3239235	Structure_Complexity	414
114994	Defined_Atom_Stereo_Count	0
998021	Rotatable_Bond_Count	7
444008	Structure_Complexity	636
156592059	Covalent_Unit_Count	2
21692	Structure_Complexity	461
13000487	Structure_Complexity	0
23080870	Hydrogen_Bond_Donor_Count	0
68075820	Undefined_Atom_Stereo_Count	3
2723671	Rotatable_Bond_Count	12
8400	Mono_Isotopic_Weight	212.083729621
984456	Hydrogen_Bond_Donor_Count	2
440699	Tautomer_Count	9
5779	Molecular_Weight	150.13
1548943	Mono_Isotopic_Weight	305.19909372
11137142	Covalent_Unit_Count	2
129815925	TPSA	24.4
15322	Mono_Isotopic_Weight	279.97490
4206	Rotatable_Bond_Count	13
920	TPSA	130
9794485	Structure_Complexity	193
140535901	Rotatable_Bond_Count	1
234105	Structure_Complexity	724
3077	Total_Formal_Charge	0
86453	Total_Formal_Charge	0
54670067	Defined_Atom_Stereo_Count	2
5459811	Exact_Mass	426.386166214
104048363	Mono_Isotopic_Weight	107.048347172
71698	Molecular_Weight	262.35
9218	Hydrogen_Bond_Acceptor_Count	3
11360680	Isotope_Atom_Count	0
101399329	Molecular_Weight	112.13
164116	Undefined_Bond_Stereo_Count	0
161830	Rotatable_Bond_Count	1
49789564	Non-hydrogen_Atom_Count	21
60820	Rotatable_Bond_Count	6
60374	Undefined_Bond_Stereo_Count	0
397	Rotatable_Bond_Count	2
6918140	Undefined_Bond_Stereo_Count	0
24901143	Undefined_Bond_Stereo_Count	0
136586	TPSA	18.5
87901	Undefined_Atom_Stereo_Count	0
9992	Structure_Complexity	74.4
21255244	Total_Formal_Charge	0
920	Defined_Bond_Stereo_Count	0
25683	Non-hydrogen_Atom_Count	16
13586013	Molecular_Weight	103.12
12550	Hydrogen_Bond_Donor_Count	3
5311264	Hydrogen_Bond_Donor_Count	1
42827	Rotatable_Bond_Count	2
1268185	Hydrogen_Bond_Acceptor_Count	3
152413	Tautomer_Count	27
444455	Exact_Mass	463.19883619
53663591	Total_Formal_Charge	0
25015412	XLogP3-AA	2.4
71317097	Hydrogen_Bond_Donor_Count	5
71517699	Covalent_Unit_Count	1
72734319	Isotope_Atom_Count	0
15547628	Undefined_Atom_Stereo_Count	0
332226	Isotope_Atom_Count	0
13039	Defined_Atom_Stereo_Count	0
87425008	Total_Formal_Charge	0
136809	Defined_Bond_Stereo_Count	0
42037	Defined_Atom_Stereo_Count	0
12312963	Exact_Mass	94.053098200
197066	TPSA	152
91500	Structure_Complexity	10
4413	Defined_Bond_Stereo_Count	0
43375	Defined_Bond_Stereo_Count	0
91750	Hydrogen_Bond_Donor_Count	2
19518	Hydrogen_Bond_Donor_Count	1
12206	Hydrogen_Bond_Donor_Count	0
16197727	Rotatable_Bond_Count	51
23276	Defined_Bond_Stereo_Count	0
7987	Hydrogen_Bond_Acceptor_Count	6
156592279	TPSA	145
3048356	Undefined_Atom_Stereo_Count	0
21448982	Defined_Atom_Stereo_Count	0
12062378	TPSA	26
4438527	Covalent_Unit_Count	1
72941505	Hydrogen_Bond_Donor_Count	11
9892071	Molecular_Weight	497.6
123809	Undefined_Atom_Stereo_Count	1
45588096	Structure_Complexity	10300
71311382	Hydrogen_Bond_Donor_Count	0
16049024	Non-hydrogen_Atom_Count	34
141210311	Mono_Isotopic_Weight	116.047344113
79693	Structure_Complexity	131
11945	Total_Formal_Charge	0
60196441	XLogP3-AA	6.5
6971007	Hydrogen_Bond_Acceptor_Count	6
7490	Rotatable_Bond_Count	2
44590445	Undefined_Bond_Stereo_Count	0
12964	Rotatable_Bond_Count	2
7177	Rotatable_Bond_Count	8
1629	Molecular_Weight	217.12
12720	TPSA	0
40476	Non-hydrogen_Atom_Count	19
9897697	Rotatable_Bond_Count	9
16564	TPSA	82.9
69480	Hydrogen_Bond_Donor_Count	0
69571381	Defined_Bond_Stereo_Count	0
15475283	Total_Formal_Charge	0
299664	Tautomer_Count	36
405908	Exact_Mass	207.04663309
11951725	Rotatable_Bond_Count	4
68682560	Undefined_Atom_Stereo_Count	0
18644925	Total_Formal_Charge	0
1479277	Defined_Bond_Stereo_Count	0
146719	Rotatable_Bond_Count	3
23662264	Hydrogen_Bond_Acceptor_Count	1
688091	Defined_Atom_Stereo_Count	0
1252769	Exact_Mass	110.02286070
5311032	Rotatable_Bond_Count	14
96772	TPSA	163
7212	Total_Formal_Charge	0
13601826	Structure_Complexity	50.1
10340798	Isotope_Atom_Count	0
118163156	XLogP3-AA	5.9
263077	Rotatable_Bond_Count	2
441407	Molecular_Weight	442.4
22227703	Isotope_Atom_Count	0
86042	Hydrogen_Bond_Donor_Count	2
92403971	Mono_Isotopic_Weight	420.20088463
52732	Rotatable_Bond_Count	11
53846435	Non-hydrogen_Atom_Count	30
9995236	Isotope_Atom_Count	0
7196	TPSA	55.8
54339	Hydrogen_Bond_Acceptor_Count	3
16217605	Defined_Bond_Stereo_Count	0
83864777	Rotatable_Bond_Count	0
9280	Structure_Complexity	249
272079	Undefined_Atom_Stereo_Count	0
31425	Defined_Atom_Stereo_Count	0
66536	Hydrogen_Bond_Donor_Count	1
472202	Rotatable_Bond_Count	2
5743	Total_Formal_Charge	0
122174048	Mono_Isotopic_Weight	627.8438521
76127	Mono_Isotopic_Weight	226.01350
66577443	Molecular_Weight	260.22
11655119	Rotatable_Bond_Count	6
31528	Defined_Atom_Stereo_Count	0
46783782	Non-hydrogen_Atom_Count	57
23310226	Structure_Complexity	306
134129846	Undefined_Atom_Stereo_Count	1
17549	Isotope_Atom_Count	0
445858	Covalent_Unit_Count	1
18506428	Mono_Isotopic_Weight	118.062994177
22843	Defined_Bond_Stereo_Count	0
53678373	Rotatable_Bond_Count	0
9998128	Exact_Mass	352.14364454
163781	Covalent_Unit_Count	1
10476	XLogP3-AA	1.1
4369579	Hydrogen_Bond_Donor_Count	4
5388879	Hydrogen_Bond_Acceptor_Count	2
5373773	Isotope_Atom_Count	0
9812534	Hydrogen_Bond_Donor_Count	4
55290897	Exact_Mass	93.021463719
20472034	Structure_Complexity	156
47024	Tautomer_Count	2
129010338	Exact_Mass	416.32904526
398658	Hydrogen_Bond_Donor_Count	1
10407120	Non-hydrogen_Atom_Count	28
8194	XLogP3-AA	4.9
13573631	Rotatable_Bond_Count	3
55397	Undefined_Atom_Stereo_Count	0
9929785	Molecular_Weight	380.5
53249784	Total_Formal_Charge	0
66559017	Molecular_Weight	389.3
46783063	Exact_Mass	364.1376123
53395363	Hydrogen_Bond_Donor_Count	2
6956334	Exact_Mass	385.03991
91018	Defined_Atom_Stereo_Count	0
6918589	Exact_Mass	853.35208467
95961	Hydrogen_Bond_Donor_Count	1
182585	Covalent_Unit_Count	1
67602	TPSA	0
57656833	Isotope_Atom_Count	0
626732	Undefined_Atom_Stereo_Count	3
91610	Covalent_Unit_Count	1
12363	Defined_Atom_Stereo_Count	0
17942383	TPSA	28.7
126830	Hydrogen_Bond_Donor_Count	1
52195	Mono_Isotopic_Weight	308.188863393
16290686	Hydrogen_Bond_Donor_Count	3
53752206	Undefined_Bond_Stereo_Count	1
5154	TPSA	40.8
82170	Molecular_Weight	182.17
9460	Undefined_Bond_Stereo_Count	0
68384915	Non-hydrogen_Atom_Count	21
452521	Covalent_Unit_Count	1
24848402	Defined_Bond_Stereo_Count	0
54054	Molecular_Weight	399.5
7431	Isotope_Atom_Count	0
23678802	Rotatable_Bond_Count	12
17354	Total_Formal_Charge	0
4514	Mono_Isotopic_Weight	412.1302182
9870785	Isotope_Atom_Count	0
121893	TPSA	138
135398596	Defined_Atom_Stereo_Count	3
92233	TPSA	53.3
70685495	Isotope_Atom_Count	0
5359624	XLogP3	6.1
16760390	Mono_Isotopic_Weight	100.052429494
22041940	Covalent_Unit_Count	1
1084	Exact_Mass	111.92888620
25474	Undefined_Atom_Stereo_Count	0
82938	Mono_Isotopic_Weight	247.895076
3775	Hydrogen_Bond_Acceptor_Count	1
60585	Covalent_Unit_Count	2
88095	Molecular_Weight	162.14
19458	Mono_Isotopic_Weight	473.94157537
59970187	Undefined_Bond_Stereo_Count	0
91067785	Non-hydrogen_Atom_Count	8
444746	Undefined_Bond_Stereo_Count	0
535634	Exact_Mass	81.057849228
9129	Tautomer_Count	1
23305495	Mono_Isotopic_Weight	665.30474055
53657	Undefined_Atom_Stereo_Count	0
4042	TPSA	60.4
146675212	Structure_Complexity	2510
56995913	TPSA	49.8
57057991	Molecular_Weight	116.11
129853561	Covalent_Unit_Count	2
439233	Total_Formal_Charge	0
53466061	Defined_Bond_Stereo_Count	0
54584258	Undefined_Bond_Stereo_Count	0
65182	Total_Formal_Charge	0
81971	Mono_Isotopic_Weight	458.00663923
70075	TPSA	29.4
97127	Undefined_Atom_Stereo_Count	0
7698	Hydrogen_Bond_Acceptor_Count	4
79905	Mono_Isotopic_Weight	132.09727168
3727	Covalent_Unit_Count	1
68110	Structure_Complexity	165
103875	Defined_Atom_Stereo_Count	0
102239071	Exact_Mass	75.001473
9912	Structure_Complexity	548
143289	Defined_Bond_Stereo_Count	0
182484	Tautomer_Count	1
11832800	Hydrogen_Bond_Acceptor_Count	1
45807	Rotatable_Bond_Count	10
12585787	Hydrogen_Bond_Acceptor_Count	1
11498	Rotatable_Bond_Count	9
11286230	Exact_Mass	925.50349992
10161305	XLogP3-AA	3.4
33013	Covalent_Unit_Count	2
448979	Exact_Mass	361.0328700
31200	Mono_Isotopic_Weight	277.01738065
198576	Structure_Complexity	443
73330464	Non-hydrogen_Atom_Count	18
4017	Mono_Isotopic_Weight	1406.93370526
13226747	Hydrogen_Bond_Acceptor_Count	0
20325398	XLogP3-AA	0.5
25050	Non-hydrogen_Atom_Count	17
90993	Tautomer_Count	6
6354	Exact_Mass	44.026214747
699165	Undefined_Atom_Stereo_Count	0
203433	Total_Formal_Charge	0
499953	Covalent_Unit_Count	1
53940807	Undefined_Atom_Stereo_Count	0
54732242	Defined_Atom_Stereo_Count	4
122724	Total_Formal_Charge	0
8809	Total_Formal_Charge	0
91089723	Non-hydrogen_Atom_Count	7
18641	XLogP3-AA	7.2
4876	Covalent_Unit_Count	1
640194	Covalent_Unit_Count	1
54742567	Exact_Mass	175.02426294
59277772	Undefined_Bond_Stereo_Count	0
65909	Undefined_Bond_Stereo_Count	0
475825	Structure_Complexity	816
229	Non-hydrogen_Atom_Count	10
54583964	XLogP3-AA	3.9
21467	Undefined_Atom_Stereo_Count	1
21516623	Hydrogen_Bond_Donor_Count	0
59283	Undefined_Atom_Stereo_Count	0
95380	Undefined_Atom_Stereo_Count	1
13932052	Isotope_Atom_Count	0
18470	Structure_Complexity	274
16065391	Structure_Complexity	629
130866606	Structure_Complexity	131
11843834	Isotope_Atom_Count	0
85916	Undefined_Bond_Stereo_Count	1
18598488	Structure_Complexity	119
167811	Exact_Mass	407.18616006
693507	Hydrogen_Bond_Acceptor_Count	4
53494972	Rotatable_Bond_Count	3
12490222	Undefined_Atom_Stereo_Count	0
6837	Covalent_Unit_Count	1
136458760	Covalent_Unit_Count	1
132541087	Hydrogen_Bond_Donor_Count	0
323188	Mono_Isotopic_Weight	100.063662883
103451510	Undefined_Atom_Stereo_Count	1
9639	Structure_Complexity	319
131968259	Rotatable_Bond_Count	3
5858	Defined_Atom_Stereo_Count	6
62108	Molecular_Weight	458.7
72200865	Mono_Isotopic_Weight	593.31615210
57660	Covalent_Unit_Count	1
90272	Non-hydrogen_Atom_Count	18
5283731	TPSA	40.5
1189	Rotatable_Bond_Count	2
12441297	Mono_Isotopic_Weight	104.037448136
42615	Structure_Complexity	2450
4013	Covalent_Unit_Count	1
1449	Defined_Atom_Stereo_Count	0
23335962	Isotope_Atom_Count	0
25010550	Undefined_Atom_Stereo_Count	0
9930121	Defined_Bond_Stereo_Count	0
74950937	Covalent_Unit_Count	1
6867	Mono_Isotopic_Weight	203.094628657
54697325	Defined_Atom_Stereo_Count	4
6918248	Tautomer_Count	2
4675622	Hydrogen_Bond_Acceptor_Count	4
189914	Total_Formal_Charge	0
10214	Hydrogen_Bond_Acceptor_Count	17
73339	Exact_Mass	229.05211239
1310	Isotope_Atom_Count	0
13031981	Exact_Mass	101.084063974
89399997	Defined_Bond_Stereo_Count	0
40466996	Undefined_Bond_Stereo_Count	0
24848413	Undefined_Atom_Stereo_Count	0
7015680	Undefined_Atom_Stereo_Count	0
25116186	TPSA	114
11630056	Defined_Bond_Stereo_Count	0
12291	Undefined_Bond_Stereo_Count	0
1499	XLogP3-AA	3.4
53473572	XLogP3-AA	7.1
3652	Mono_Isotopic_Weight	335.1764402
101375997	Structure_Complexity	1840
104865206	Molecular_Weight	117.15
18506387	Hydrogen_Bond_Donor_Count	2
94744	Covalent_Unit_Count	1
70362185	Exact_Mass	97.052763847
14583329	Defined_Bond_Stereo_Count	0
101743775	Hydrogen_Bond_Donor_Count	2
941385	Exact_Mass	352.0713660
49866945	Defined_Bond_Stereo_Count	0
573744	Total_Formal_Charge	0
135565424	Mono_Isotopic_Weight	266.14528450
7895	Hydrogen_Bond_Donor_Count	0
71458923	Isotope_Atom_Count	0
18923031	Total_Formal_Charge	0
72	Isotope_Atom_Count	0
31237	Hydrogen_Bond_Donor_Count	0
458821	Hydrogen_Bond_Donor_Count	4
6471	Exact_Mass	261.172878976
6677	Defined_Bond_Stereo_Count	0
269	Isotope_Atom_Count	0
11764862	Undefined_Bond_Stereo_Count	0
35492	XLogP3-AA	4.2
94784	Defined_Atom_Stereo_Count	0
6914	Undefined_Bond_Stereo_Count	0
160154	Hydrogen_Bond_Acceptor_Count	3
123257569	Structure_Complexity	117
9861147	Non-hydrogen_Atom_Count	22
11504295	Tautomer_Count	15
14187216	Covalent_Unit_Count	1
73604	Hydrogen_Bond_Donor_Count	4
3548422	Tautomer_Count	1
15739357	Defined_Atom_Stereo_Count	0
6438361	Hydrogen_Bond_Donor_Count	2
20770500	Defined_Bond_Stereo_Count	0
686752	Undefined_Bond_Stereo_Count	0
1166	Mono_Isotopic_Weight	566.05502130
11169	Rotatable_Bond_Count	0
154515463	Hydrogen_Bond_Donor_Count	1
317062	Covalent_Unit_Count	1
49217	Structure_Complexity	337
2734117	Molecular_Weight	546.8
714937	Molecular_Weight	313.2
39230	Molecular_Weight	342.1
171227	Hydrogen_Bond_Acceptor_Count	1
968625	Mono_Isotopic_Weight	330.10381361
5496	Isotope_Atom_Count	0
123243	Molecular_Weight	76.10
53316417	Covalent_Unit_Count	2
36667	Hydrogen_Bond_Acceptor_Count	1
40666	Hydrogen_Bond_Donor_Count	1
7531	Hydrogen_Bond_Acceptor_Count	1
26249	Defined_Bond_Stereo_Count	0
139502	Structure_Complexity	128
139820	Undefined_Atom_Stereo_Count	1
68626	Mono_Isotopic_Weight	296.1291556
692791	Structure_Complexity	395
11586735	Molecular_Weight	237.30
44401271	Undefined_Atom_Stereo_Count	0
22889103	Isotope_Atom_Count	0
70278898	Total_Formal_Charge	0
139085816	Non-hydrogen_Atom_Count	19
87964902	Isotope_Atom_Count	0
9806489	Hydrogen_Bond_Donor_Count	2
60976	Undefined_Bond_Stereo_Count	0
122174048	Structure_Complexity	1010
5318039	Rotatable_Bond_Count	10
4471892	Covalent_Unit_Count	1
14577084	Total_Formal_Charge	0
118504287	Isotope_Atom_Count	0
143856	Defined_Bond_Stereo_Count	0
8032	Mono_Isotopic_Weight	189.96058025
12729	Total_Formal_Charge	0
91465	Rotatable_Bond_Count	5
5353422	Exact_Mass	460.20971797
9934032	Non-hydrogen_Atom_Count	32
57283625	Defined_Atom_Stereo_Count	0
23690927	Covalent_Unit_Count	2
29971	Exact_Mass	102.079312947
5353422	Rotatable_Bond_Count	8
19809513	Covalent_Unit_Count	1
156497240	Covalent_Unit_Count	1
721456	TPSA	67.4
87089	Mono_Isotopic_Weight	290.153146591
359	Non-hydrogen_Atom_Count	9
45267632	Hydrogen_Bond_Donor_Count	2
5206	XLogP3-AA	2.8
42104317	TPSA	78.9
22123753	Undefined_Atom_Stereo_Count	1
14714336	Defined_Atom_Stereo_Count	0
11711595	Isotope_Atom_Count	0
147556052	Mono_Isotopic_Weight	111.104799419
72076	Hydrogen_Bond_Acceptor_Count	4
135539121	Undefined_Atom_Stereo_Count	0
79156	Non-hydrogen_Atom_Count	7
24901285	Molecular_Weight	546.5
97414	Mono_Isotopic_Weight	227.07284784
136871	Defined_Atom_Stereo_Count	0
19736124	Undefined_Atom_Stereo_Count	0
25195346	Defined_Bond_Stereo_Count	0
7243	Hydrogen_Bond_Acceptor_Count	2
522996	XLogP3-AA	3.3
52993227	Hydrogen_Bond_Acceptor_Count	9
144369145	Mono_Isotopic_Weight	98.048012819
30199	Covalent_Unit_Count	1
61523	Exact_Mass	164.120115130
22041940	Hydrogen_Bond_Donor_Count	2
85237	Undefined_Bond_Stereo_Count	0
85538	Hydrogen_Bond_Donor_Count	2
77332	Mono_Isotopic_Weight	114.104465066
99327	Tautomer_Count	4
10569	Isotope_Atom_Count	0
74041115	TPSA	0
85248	Rotatable_Bond_Count	2
84166	Hydrogen_Bond_Donor_Count	0
89532783	Hydrogen_Bond_Acceptor_Count	3
29033	Undefined_Bond_Stereo_Count	0
125	Mono_Isotopic_Weight	124.052429494
79048	Molecular_Weight	98.14
23663964	Isotope_Atom_Count	0
136429571	Isotope_Atom_Count	0
81798	Rotatable_Bond_Count	6
9853053	Undefined_Bond_Stereo_Count	0
135417349	Hydrogen_Bond_Acceptor_Count	4
599239	Non-hydrogen_Atom_Count	18
119205	Isotope_Atom_Count	0
22015260	Hydrogen_Bond_Donor_Count	0
87190	Covalent_Unit_Count	1
53864533	Undefined_Bond_Stereo_Count	0
14265921	Undefined_Bond_Stereo_Count	0
72200668	Molecular_Weight	317.36
54890	Undefined_Bond_Stereo_Count	0
79081	Molecular_Weight	99.17
5736	Mono_Isotopic_Weight	331.0797631
169743	Tautomer_Count	2
156592059	Molecular_Weight	895.9
688015	Undefined_Bond_Stereo_Count	0
431094	Hydrogen_Bond_Acceptor_Count	18
131059	Defined_Atom_Stereo_Count	0
68783	Exact_Mass	328.20384475
1252759	Exact_Mass	152.120115130
26136	Undefined_Bond_Stereo_Count	0
8693	Total_Formal_Charge	0
60946	Tautomer_Count	1
21391884	Covalent_Unit_Count	1
3033983	Exact_Mass	426.15730574
12295224	Total_Formal_Charge	0
17909343	Exact_Mass	100.063662883
129734884	Undefined_Bond_Stereo_Count	0
54385745	Covalent_Unit_Count	1
12370	Undefined_Bond_Stereo_Count	0
5289535	Defined_Bond_Stereo_Count	0
524640	Structure_Complexity	96.6
56984356	Mono_Isotopic_Weight	102.031694049
26929	Hydrogen_Bond_Donor_Count	1
5494414	Hydrogen_Bond_Acceptor_Count	7
53555	Molecular_Weight	283.32
14146878	Rotatable_Bond_Count	0
148401	Structure_Complexity	34.8
3614092	Hydrogen_Bond_Acceptor_Count	2
22219016	TPSA	123
65376195	Hydrogen_Bond_Acceptor_Count	1
9661	Molecular_Weight	181.23
3321	Total_Formal_Charge	0
13359319	Mono_Isotopic_Weight	114.104465066
25058199	Exact_Mass	473.12567125
89390	Hydrogen_Bond_Donor_Count	2
20334570	Mono_Isotopic_Weight	116.083729621
3641960	Undefined_Atom_Stereo_Count	0
123519331	Hydrogen_Bond_Donor_Count	1
198212	Structure_Complexity	227
121249	Tautomer_Count	6
20129993	Rotatable_Bond_Count	3
259381	Hydrogen_Bond_Acceptor_Count	2
3770186	Molecular_Weight	819.9
67493918	Exact_Mass	112.03851076
71306720	Defined_Atom_Stereo_Count	10
639662	Structure_Complexity	44
10206604	Non-hydrogen_Atom_Count	35
156432753	Non-hydrogen_Atom_Count	8
13163973	Rotatable_Bond_Count	1
10761920	Defined_Atom_Stereo_Count	0
60839	Structure_Complexity	406
721861	Defined_Atom_Stereo_Count	1
709	Rotatable_Bond_Count	3
123895	Defined_Bond_Stereo_Count	0
4741	TPSA	696
5289104	Covalent_Unit_Count	1
134826704	Non-hydrogen_Atom_Count	82
24254	Rotatable_Bond_Count	3
163317	Defined_Bond_Stereo_Count	0
9324	Rotatable_Bond_Count	3
5081356	XLogP3-AA	2.4
10384666	Hydrogen_Bond_Acceptor_Count	4
8742	Non-hydrogen_Atom_Count	12
15442732	Defined_Atom_Stereo_Count	0
6915836	Hydrogen_Bond_Acceptor_Count	9
3034655	Isotope_Atom_Count	0
8275	TPSA	75.3
28679	Hydrogen_Bond_Acceptor_Count	2
18521	Defined_Bond_Stereo_Count	0
81902	Hydrogen_Bond_Acceptor_Count	1
21948548	Covalent_Unit_Count	1
16399	TPSA	20.2
534094	Covalent_Unit_Count	1
5282455	Total_Formal_Charge	0
23685849	Mono_Isotopic_Weight	212.06606779
577022	Hydrogen_Bond_Donor_Count	1
44419427	Defined_Atom_Stereo_Count	6
13860601	Isotope_Atom_Count	0
6051	TPSA	50.7
10489	Total_Formal_Charge	0
49288	Undefined_Atom_Stereo_Count	1
6604365	XLogP3	2.6
20775240	Mono_Isotopic_Weight	130.123189134
31005	TPSA	18.5
3063228	Non-hydrogen_Atom_Count	10
67210	TPSA	126
5932	Rotatable_Bond_Count	2
71354	Tautomer_Count	2
36605	Covalent_Unit_Count	2
59665407	TPSA	120
7098617	Mono_Isotopic_Weight	342.11621151
410615	Isotope_Atom_Count	0
9425	Non-hydrogen_Atom_Count	37
140377273	Undefined_Atom_Stereo_Count	0
140313277	Rotatable_Bond_Count	2
3936	Tautomer_Count	1
551630	Exact_Mass	207.125928785
8185	Hydrogen_Bond_Acceptor_Count	1
32798	Defined_Bond_Stereo_Count	0
55917	Mono_Isotopic_Weight	276.0777887
694638	Non-hydrogen_Atom_Count	23
108150	Total_Formal_Charge	0
10972	Tautomer_Count	3
14039779	Non-hydrogen_Atom_Count	7
119693	Exact_Mass	103.099714038
443369	Undefined_Atom_Stereo_Count	8
12787246	Undefined_Bond_Stereo_Count	0
78438	Structure_Complexity	345
136506065	Hydrogen_Bond_Donor_Count	2
123603692	Hydrogen_Bond_Acceptor_Count	1
398	Undefined_Bond_Stereo_Count	0
17849680	Isotope_Atom_Count	0
5976	Undefined_Bond_Stereo_Count	0
17027464	Structure_Complexity	675
7248	Hydrogen_Bond_Donor_Count	1
68646	Hydrogen_Bond_Donor_Count	2
30590	Undefined_Atom_Stereo_Count	0
15565287	Molecular_Weight	108.18
59047	Tautomer_Count	1
8141	Molecular_Weight	128.25
22022770	Structure_Complexity	68.2
5622	TPSA	72.9
3032571	Exact_Mass	287.886175
10219402	Structure_Complexity	136
10986305	Hydrogen_Bond_Acceptor_Count	3
165746	Undefined_Atom_Stereo_Count	0
573592	Mono_Isotopic_Weight	110.048012819
20137	Total_Formal_Charge	0
24971342	Undefined_Bond_Stereo_Count	0
9818479	Total_Formal_Charge	0
867	Molecular_Weight	104.06
16218739	Molecular_Weight	388.5
257	Exact_Mass	711.43226354
76337	Tautomer_Count	1
231162	Defined_Atom_Stereo_Count	0
442965	TPSA	6.5
60582	Mono_Isotopic_Weight	272.04669266
79688	Hydrogen_Bond_Acceptor_Count	1
13184	XLogP3	4.5
9832383	Defined_Atom_Stereo_Count	2
6973643	Hydrogen_Bond_Acceptor_Count	1
10686	XLogP3	3.6
5356785	XLogP3	4.8
10898645	Exact_Mass	94.053098200
67570	Defined_Bond_Stereo_Count	0
181976	Undefined_Atom_Stereo_Count	0
674188	Mono_Isotopic_Weight	333.11764973
409471	Isotope_Atom_Count	0
54015928	Exact_Mass	97.052763847
6451477	Exact_Mass	94.041864811
9821383	Mono_Isotopic_Weight	383.20563565
134436906	Structure_Complexity	885
36565	Covalent_Unit_Count	1
13618050	Defined_Bond_Stereo_Count	0
5327159	Covalent_Unit_Count	1
398700	Exact_Mass	560.03762
16050641	Hydrogen_Bond_Acceptor_Count	4
99824	Isotope_Atom_Count	0
11205	Molecular_Weight	331.63
54725318	Hydrogen_Bond_Donor_Count	3
101609	Covalent_Unit_Count	1
439207	Defined_Atom_Stereo_Count	25
18923028	Molecular_Weight	99.13
712078	Hydrogen_Bond_Acceptor_Count	4
1821	Defined_Bond_Stereo_Count	0
1929	Hydrogen_Bond_Donor_Count	1
94317	TPSA	17.1
21322953	Hydrogen_Bond_Acceptor_Count	2
4471892	Hydrogen_Bond_Donor_Count	2
118984396	Defined_Atom_Stereo_Count	2
46207586	Defined_Atom_Stereo_Count	0
162236685	Defined_Bond_Stereo_Count	0
71432915	Total_Formal_Charge	0
20429663	Rotatable_Bond_Count	1
23994	Structure_Complexity	0
51371486	Mono_Isotopic_Weight	309.06575108
12178790	Hydrogen_Bond_Donor_Count	0
19883274	Total_Formal_Charge	0
75606	Molecular_Weight	103.08
9281	Non-hydrogen_Atom_Count	58
84063981	Mono_Isotopic_Weight	111.068413911
74989	Defined_Atom_Stereo_Count	0
49654	Isotope_Atom_Count	0
68075820	Hydrogen_Bond_Acceptor_Count	1
6058	Undefined_Atom_Stereo_Count	0
12200971	Exact_Mass	117.078978594
819440	Undefined_Bond_Stereo_Count	0
82650946	Exact_Mass	115.063328530
7588	Non-hydrogen_Atom_Count	22
3016164	TPSA	32.3
140979598	Hydrogen_Bond_Donor_Count	0
10374415	Hydrogen_Bond_Donor_Count	1
56963	Tautomer_Count	1
9919942	Structure_Complexity	1900
153305234	Defined_Bond_Stereo_Count	0
2758873	TPSA	8.8
183797	Covalent_Unit_Count	1
5976	Exact_Mass	60.068748264
442941	Covalent_Unit_Count	1
67656913	TPSA	20.2
16663248	Isotope_Atom_Count	0
49846579	Defined_Atom_Stereo_Count	0
135408964	Exact_Mass	452.2230560
91595261	Undefined_Atom_Stereo_Count	0
5940	Exact_Mass	280.90199
132274874	Rotatable_Bond_Count	15
14947250	Isotope_Atom_Count	0
16129778	Molecular_Weight	1701.2
444006	Rotatable_Bond_Count	12
97255	Undefined_Atom_Stereo_Count	0
4874	Total_Formal_Charge	0
5359541	Structure_Complexity	25.7
231360	Defined_Bond_Stereo_Count	0
82085	Molecular_Weight	190.16
4041	Hydrogen_Bond_Donor_Count	0
34148	Undefined_Bond_Stereo_Count	0
15752282	Mono_Isotopic_Weight	111.068413911
21670561	Structure_Complexity	109
593919	Non-hydrogen_Atom_Count	10
4271	TPSA	94.5
51039094	Defined_Bond_Stereo_Count	0
185495	Tautomer_Count	1
450484	Molecular_Weight	393.21
153772784	Defined_Atom_Stereo_Count	0
633	Defined_Bond_Stereo_Count	0
4343	Covalent_Unit_Count	1
8575	Mono_Isotopic_Weight	222.08920892
13699300	Mono_Isotopic_Weight	116.047344113
67809	Defined_Bond_Stereo_Count	0
30493	Isotope_Atom_Count	0
53689060	Undefined_Atom_Stereo_Count	0
8491	Mono_Isotopic_Weight	171.0087061
118994155	Defined_Bond_Stereo_Count	0
59202444	Defined_Bond_Stereo_Count	0
62725	Molecular_Weight	141.24
17321	Structure_Complexity	220
71785	Total_Formal_Charge	0
71946	Hydrogen_Bond_Acceptor_Count	6
9639	Molecular_Weight	338.04
57370827	Rotatable_Bond_Count	0
59067341	Total_Formal_Charge	0
90654313	Total_Formal_Charge	0
5791	Tautomer_Count	10
116706	Hydrogen_Bond_Acceptor_Count	4
60044069	Exact_Mass	284.16237386
12005	Defined_Atom_Stereo_Count	0
5071450	Tautomer_Count	2
19751	Hydrogen_Bond_Donor_Count	0
12310948	Rotatable_Bond_Count	0
5289143	Defined_Bond_Stereo_Count	0
57131110	Hydrogen_Bond_Acceptor_Count	1
23662871	Exact_Mass	492.01742078
116225458	Defined_Atom_Stereo_Count	0
534055	Total_Formal_Charge	0
19864017	Tautomer_Count	3
5288149	Hydrogen_Bond_Donor_Count	3
53393621	Molecular_Weight	364.9
9957535	TPSA	79.9
44393512	Exact_Mass	1201.84136802
93074	Structure_Complexity	65.1
10964444	Isotope_Atom_Count	0
98048102	Structure_Complexity	756
54758309	Isotope_Atom_Count	0
5320191	Molecular_Weight	140.22
101102794	TPSA	404
21914607	Undefined_Bond_Stereo_Count	0
7819	Hydrogen_Bond_Donor_Count	0
22967031	Isotope_Atom_Count	0
5814	Isotope_Atom_Count	0
4683067	Undefined_Bond_Stereo_Count	0
809629	Mono_Isotopic_Weight	321.04710720
53952576	Structure_Complexity	78
2734117	Non-hydrogen_Atom_Count	34
5281072	Rotatable_Bond_Count	6
77084	Hydrogen_Bond_Donor_Count	2
208922	XLogP3-AA	4
20097868	TPSA	23.8
76241	Total_Formal_Charge	0
57825223	Mono_Isotopic_Weight	345.147726857
11534	Rotatable_Bond_Count	0
65718	Undefined_Atom_Stereo_Count	0
129816	Mono_Isotopic_Weight	387.14705815
205324	Rotatable_Bond_Count	0
10953443	Defined_Bond_Stereo_Count	0
9967055	Hydrogen_Bond_Donor_Count	1
443933	XLogP3-AA	4.9
69762	Covalent_Unit_Count	1
62802	Undefined_Atom_Stereo_Count	0
139087394	Defined_Bond_Stereo_Count	0
6323236	Structure_Complexity	1530
12637126	Undefined_Bond_Stereo_Count	0
890070	Defined_Bond_Stereo_Count	1
68015385	Rotatable_Bond_Count	4
91589206	Rotatable_Bond_Count	1
9687	Non-hydrogen_Atom_Count	32
71795	Undefined_Bond_Stereo_Count	0
16008685	Molecular_Weight	353.4
52553	Total_Formal_Charge	0
24963	Covalent_Unit_Count	3
16002	Defined_Bond_Stereo_Count	0
122356	Structure_Complexity	83.1
5353424	Total_Formal_Charge	0
148198	Defined_Atom_Stereo_Count	0
80530	Defined_Bond_Stereo_Count	0
12607503	Defined_Bond_Stereo_Count	0
12636118	Total_Formal_Charge	0
86276476	Hydrogen_Bond_Acceptor_Count	13
20055089	Rotatable_Bond_Count	5
66435	Total_Formal_Charge	0
139307343	Covalent_Unit_Count	1
137727	Defined_Atom_Stereo_Count	0
50397	Non-hydrogen_Atom_Count	12
6921840	Non-hydrogen_Atom_Count	12
62015	Molecular_Weight	407.6
25077533	Defined_Atom_Stereo_Count	9
961192	Total_Formal_Charge	0
6436605	Hydrogen_Bond_Donor_Count	1
61828	Undefined_Atom_Stereo_Count	0
9810771	Defined_Atom_Stereo_Count	1
83433	Isotope_Atom_Count	0
131695	Defined_Atom_Stereo_Count	0
13428	Molecular_Weight	260.9
97758	Exact_Mass	82.041864811
157955	Defined_Bond_Stereo_Count	0
13019092	Non-hydrogen_Atom_Count	6
12604	Defined_Bond_Stereo_Count	0
23260879	Non-hydrogen_Atom_Count	8
56668950	Covalent_Unit_Count	1
9936012	Mono_Isotopic_Weight	506.2336207
67541	Rotatable_Bond_Count	2
137705114	Defined_Bond_Stereo_Count	0
12786810	Structure_Complexity	95.6
74663	Isotope_Atom_Count	0
3162	Total_Formal_Charge	0
6221	Exact_Mass	384.339216023
149519	Mono_Isotopic_Weight	348.19501140
5360970	Hydrogen_Bond_Acceptor_Count	4
69537	Covalent_Unit_Count	1
83003418	Undefined_Bond_Stereo_Count	0
158524	Rotatable_Bond_Count	14
439782	Structure_Complexity	216
6327580	Undefined_Atom_Stereo_Count	0
129679806	Exact_Mass	116.047344113
71072118	Mono_Isotopic_Weight	508.1695764
77405	Undefined_Bond_Stereo_Count	0
141019	Exact_Mass	98.036779430
6438129	Mono_Isotopic_Weight	405.12460863
67535	Non-hydrogen_Atom_Count	14
54676038	Non-hydrogen_Atom_Count	25
90613	Mono_Isotopic_Weight	247.12398469
53346589	Isotope_Atom_Count	0
11535	Exact_Mass	54.0469501914
53710320	Defined_Atom_Stereo_Count	0
3038495	Exact_Mass	417.24162724
136393889	Mono_Isotopic_Weight	110.02286070
854418	Defined_Atom_Stereo_Count	0
4141306	Structure_Complexity	381
87927	Rotatable_Bond_Count	4
40685	Tautomer_Count	29
16130295	Mono_Isotopic_Weight	6507.0413833
8593	Isotope_Atom_Count	0
317457	Mono_Isotopic_Weight	112.088815002
12590456	TPSA	29.1
989	TPSA	46.5
58265608	Total_Formal_Charge	0
54298868	Defined_Atom_Stereo_Count	0
11024312	Defined_Atom_Stereo_Count	8
121639	TPSA	150
135762717	Undefined_Bond_Stereo_Count	0
117965	Hydrogen_Bond_Donor_Count	2
87642	Molecular_Weight	767.5
5287971	Hydrogen_Bond_Acceptor_Count	8
21161643	Isotope_Atom_Count	0
9855476	Undefined_Atom_Stereo_Count	0
12309466	Hydrogen_Bond_Donor_Count	0
49866693	Undefined_Atom_Stereo_Count	0
534012	Isotope_Atom_Count	0
9942132	Rotatable_Bond_Count	0
4167	Covalent_Unit_Count	1
57265913	TPSA	17.1
160528942	Covalent_Unit_Count	1
5340	Isotope_Atom_Count	0
17910644	Non-hydrogen_Atom_Count	8
528143	Covalent_Unit_Count	1
36188	Exact_Mass	325.880439
9877608	Isotope_Atom_Count	0
18467	Covalent_Unit_Count	1
69341160	Covalent_Unit_Count	1
10697956	Undefined_Bond_Stereo_Count	0
67045	Mono_Isotopic_Weight	284.01030715
17187	Rotatable_Bond_Count	24
23713799	Tautomer_Count	1
647840	Hydrogen_Bond_Acceptor_Count	6
62902	Undefined_Bond_Stereo_Count	0
3272	Mono_Isotopic_Weight	456.25118886
32756	Structure_Complexity	737
5462306	Undefined_Bond_Stereo_Count	0
165363357	Isotope_Atom_Count	0
4996	Non-hydrogen_Atom_Count	19
86446	TPSA	68.8
1044	Tautomer_Count	4
26868	Defined_Atom_Stereo_Count	0
134056	Rotatable_Bond_Count	7
12554265	Isotope_Atom_Count	0
10991489	Rotatable_Bond_Count	4
319664	Undefined_Bond_Stereo_Count	0
57286	Undefined_Bond_Stereo_Count	0
13758360	XLogP3-AA	0.9
169794	Molecular_Weight	630.9
74325	Defined_Bond_Stereo_Count	0
38852	Covalent_Unit_Count	5
11379	Defined_Bond_Stereo_Count	0
58206	XLogP3-AA	0.6
17820196	Defined_Atom_Stereo_Count	0
24351	Rotatable_Bond_Count	6
17739	Mono_Isotopic_Weight	166.099379685
14944610	Hydrogen_Bond_Donor_Count	2
75496	Rotatable_Bond_Count	4
534954	Isotope_Atom_Count	0
427842	Defined_Bond_Stereo_Count	0
297812	Hydrogen_Bond_Donor_Count	8
3995	Exact_Mass	310.1059754
19017820	Defined_Bond_Stereo_Count	0
16219580	Mono_Isotopic_Weight	180.06338810
128814	Defined_Bond_Stereo_Count	0
3264	TPSA	52.6
13025413	Exact_Mass	116.047344113
15816	Hydrogen_Bond_Donor_Count	2
87254011	XLogP3-AA	1.9
2736548	Undefined_Bond_Stereo_Count	0
200103	Exact_Mass	498.992710
5284584	Exact_Mass	367.0934984
153835411	XLogP3-AA	1.4
427	Defined_Atom_Stereo_Count	0
12682	Isotope_Atom_Count	0
10239891	Isotope_Atom_Count	0
142906448	Undefined_Bond_Stereo_Count	0
135476260	Structure_Complexity	932
71742521	Covalent_Unit_Count	1
1123	Tautomer_Count	1
145996610	Hydrogen_Bond_Donor_Count	4
52914006	Undefined_Atom_Stereo_Count	2
6365145	Total_Formal_Charge	0
57505392	Defined_Bond_Stereo_Count	0
153939	XLogP3-AA	1.4
62787	Isotope_Atom_Count	0
77568	Covalent_Unit_Count	1
16048622	Undefined_Bond_Stereo_Count	0
71309	Undefined_Atom_Stereo_Count	0
5281672	Rotatable_Bond_Count	1
10062737	Hydrogen_Bond_Acceptor_Count	5
82766	Total_Formal_Charge	0
67416	Tautomer_Count	1
453251	Structure_Complexity	346
49806720	Defined_Atom_Stereo_Count	0
115355	Molecular_Weight	329.23
78590	Undefined_Atom_Stereo_Count	0
68846936	Total_Formal_Charge	0
74089	Isotope_Atom_Count	0
23894	Exact_Mass	249.93841509
19063438	Rotatable_Bond_Count	0
44144454	Covalent_Unit_Count	4
17945002	Hydrogen_Bond_Acceptor_Count	1
13658862	Total_Formal_Charge	0
740525	Molecular_Weight	285.4
43226	TPSA	46
75982	Structure_Complexity	28.9
86399	Total_Formal_Charge	0
910	Hydrogen_Bond_Acceptor_Count	5
40896	Non-hydrogen_Atom_Count	20
23277870	Mono_Isotopic_Weight	117.078978594
18714263	Undefined_Bond_Stereo_Count	0
51762	XLogP3-AA	4.4
23436	Isotope_Atom_Count	0
9877343	Total_Formal_Charge	0
87079617	Non-hydrogen_Atom_Count	8
58531	Total_Formal_Charge	0
62428	Rotatable_Bond_Count	4
86389	Non-hydrogen_Atom_Count	26
22603628	Covalent_Unit_Count	1
8369	Molecular_Weight	126.11
16248	Defined_Atom_Stereo_Count	0
80486638	Isotope_Atom_Count	0
198	Covalent_Unit_Count	1
16212610	Structure_Complexity	382
99824	Non-hydrogen_Atom_Count	9
24901351	Structure_Complexity	648
956	Hydrogen_Bond_Acceptor_Count	25
14296	XLogP3	1.3
1139	Exact_Mass	322.05660244
16229	Non-hydrogen_Atom_Count	28
673681	Tautomer_Count	5
19757680	TPSA	94.8
119086019	Hydrogen_Bond_Acceptor_Count	4
13707473	Covalent_Unit_Count	1
3097	Total_Formal_Charge	0
9949648	Undefined_Atom_Stereo_Count	0
6814	Structure_Complexity	318
25127	Exact_Mass	193.110278721
8567	Molecular_Weight	195.21
21930923	Total_Formal_Charge	0
208902	Undefined_Atom_Stereo_Count	0
448545	Defined_Bond_Stereo_Count	0
73755261	Undefined_Atom_Stereo_Count	1
75274	XLogP3-AA	0.5
53316390	Defined_Atom_Stereo_Count	0
129508	Total_Formal_Charge	0
58640	Undefined_Atom_Stereo_Count	1
2341	Tautomer_Count	1
441072	Molecular_Weight	127.23
8154	TPSA	0
67248938	Defined_Bond_Stereo_Count	0
137553930	Rotatable_Bond_Count	4
53627428	Structure_Complexity	607
7428	XLogP3	0.9
164075219	Undefined_Atom_Stereo_Count	2
3664	Undefined_Bond_Stereo_Count	0
75908	Undefined_Bond_Stereo_Count	0
9919170	Structure_Complexity	1380
21354291	Structure_Complexity	138
9892539	Defined_Atom_Stereo_Count	0
23465004	Defined_Atom_Stereo_Count	0
7041	Undefined_Bond_Stereo_Count	0
127516	Tautomer_Count	9
44119602	Undefined_Bond_Stereo_Count	0
154544	Non-hydrogen_Atom_Count	17
28561	Mono_Isotopic_Weight	177.03606841
25273236	Undefined_Atom_Stereo_Count	0
118161592	Covalent_Unit_Count	1
12110	Defined_Atom_Stereo_Count	0
15398666	Total_Formal_Charge	0
5354626	Hydrogen_Bond_Acceptor_Count	3
637927	Covalent_Unit_Count	1
66624059	Covalent_Unit_Count	1
2756808	Rotatable_Bond_Count	2
10073306	Defined_Bond_Stereo_Count	0
5267	Molecular_Weight	416.6
97860	Total_Formal_Charge	0
7410	Defined_Atom_Stereo_Count	0
78759	Total_Formal_Charge	0
120231	XLogP3	0.8
7135	Hydrogen_Bond_Donor_Count	1
5351387	Exact_Mass	396.09740462
89760664	Undefined_Atom_Stereo_Count	0
14338	Tautomer_Count	1
48548	XLogP3	2.3
403646	Mono_Isotopic_Weight	330.03678
10407447	Defined_Atom_Stereo_Count	8
55281352	Covalent_Unit_Count	1
11500493	Hydrogen_Bond_Donor_Count	2
154914	Undefined_Atom_Stereo_Count	0
9928397	Hydrogen_Bond_Acceptor_Count	4
15575778	Covalent_Unit_Count	1
52947147	Structure_Complexity	549
155142	Rotatable_Bond_Count	23
70697507	Total_Formal_Charge	0
9282	Total_Formal_Charge	2
134694738	Defined_Bond_Stereo_Count	0
439586	Tautomer_Count	1
44427236	Defined_Atom_Stereo_Count	0
10276962	Undefined_Atom_Stereo_Count	0
163878463	Exact_Mass	109.052763847
6398764	Covalent_Unit_Count	2
123630	Isotope_Atom_Count	0
72163100	Non-hydrogen_Atom_Count	43
67171867	Hydrogen_Bond_Donor_Count	3
17142	Exact_Mass	297.09608521
40855	Total_Formal_Charge	0
4865	Covalent_Unit_Count	1
3778	Total_Formal_Charge	0
715447	Non-hydrogen_Atom_Count	21
147895	XLogP3	2.2
123489618	Non-hydrogen_Atom_Count	8
23673837	Isotope_Atom_Count	0
135887820	Hydrogen_Bond_Acceptor_Count	15
15741339	Hydrogen_Bond_Acceptor_Count	1
76745	Hydrogen_Bond_Acceptor_Count	9
22034820	Mono_Isotopic_Weight	111.032028402
836041	Hydrogen_Bond_Acceptor_Count	2
25133630	Defined_Atom_Stereo_Count	0
44190553	Rotatable_Bond_Count	2
64560	Molecular_Weight	290.5
2192	Covalent_Unit_Count	1
3613389	Non-hydrogen_Atom_Count	11
16051969	Undefined_Atom_Stereo_Count	0
9723	Hydrogen_Bond_Donor_Count	2
7852	Structure_Complexity	7.2
54556623	Rotatable_Bond_Count	4
12452048	Exact_Mass	112.088815002
8425	Covalent_Unit_Count	1
16756754	Mono_Isotopic_Weight	478.24318459
11727234	Mono_Isotopic_Weight	330.03756727
459971	Defined_Bond_Stereo_Count	0
156580481	Covalent_Unit_Count	1
55300430	Covalent_Unit_Count	1
135516356	Hydrogen_Bond_Acceptor_Count	6
36273	Mono_Isotopic_Weight	325.14601278
6439276	Exact_Mass	546.22134529
5280981	Defined_Atom_Stereo_Count	0
10470475	Hydrogen_Bond_Donor_Count	1
34468	Hydrogen_Bond_Acceptor_Count	9
3776755	Structure_Complexity	144
465951	Rotatable_Bond_Count	4
1550234	Molecular_Weight	366.4
23948	Rotatable_Bond_Count	0
92210	Molecular_Weight	116.16
71752170	Defined_Atom_Stereo_Count	5
22627013	Hydrogen_Bond_Acceptor_Count	2
73425158	Structure_Complexity	138
54006055	Exact_Mass	243.162314293
129693502	Non-hydrogen_Atom_Count	29
45609	Non-hydrogen_Atom_Count	35
5569	Isotope_Atom_Count	0
33547	TPSA	101
13073879	XLogP3-AA	0
68847	Rotatable_Bond_Count	5
6867	Total_Formal_Charge	0
19734140	Defined_Bond_Stereo_Count	0
81669	Undefined_Atom_Stereo_Count	0
5092	Hydrogen_Bond_Acceptor_Count	3
146256	Rotatable_Bond_Count	6
11407637	XLogP3-AA	2.4
73162904	Undefined_Atom_Stereo_Count	0
6011	Covalent_Unit_Count	1
656665	Undefined_Atom_Stereo_Count	0
68057	Covalent_Unit_Count	1
54585032	Structure_Complexity	337
9299	Isotope_Atom_Count	0
48491	Total_Formal_Charge	1
70719	Undefined_Bond_Stereo_Count	0
22833294	XLogP3-AA	5.1
101630689	Defined_Atom_Stereo_Count	13
354	Structure_Complexity	228
1051	Structure_Complexity	292
23597592	Hydrogen_Bond_Donor_Count	1
7745	Non-hydrogen_Atom_Count	7
90041889	Rotatable_Bond_Count	1
24771777	Covalent_Unit_Count	1
54060	Molecular_Weight	413.5
9883002	Molecular_Weight	306.4
99050	Exact_Mass	325.215412493
21943994	TPSA	185
198707	Rotatable_Bond_Count	4
71743826	Covalent_Unit_Count	1
542352	Defined_Atom_Stereo_Count	0
25144864	Molecular_Weight	1089.3
61489	TPSA	177
24453	Isotope_Atom_Count	0
6969	Isotope_Atom_Count	0
156434	Hydrogen_Bond_Donor_Count	2
135465076	Defined_Bond_Stereo_Count	1
9886086	Exact_Mass	378.10718492
184820	Total_Formal_Charge	0
222155	Mono_Isotopic_Weight	548.29853298
20980871	Tautomer_Count	1
12669582	Total_Formal_Charge	0
57820	Hydrogen_Bond_Donor_Count	2
11137890	Undefined_Atom_Stereo_Count	0
347	Defined_Atom_Stereo_Count	0
330395	Mono_Isotopic_Weight	113.084063974
83645	Rotatable_Bond_Count	10
24874	TPSA	26
4156734	Defined_Bond_Stereo_Count	0
3552	Hydrogen_Bond_Donor_Count	1
23114997	XLogP3-AA	1.3
825877	Defined_Bond_Stereo_Count	0
123755	Hydrogen_Bond_Acceptor_Count	7
83645	Molecular_Weight	240.29
54891	Non-hydrogen_Atom_Count	33
12242824	Non-hydrogen_Atom_Count	11
68260833	Isotope_Atom_Count	0
54012932	Exact_Mass	172.109944368
419186	Covalent_Unit_Count	1
7196	Hydrogen_Bond_Acceptor_Count	4
5142487	XLogP3-AA	0.6
2794811	Total_Formal_Charge	0
22160828	Molecular_Weight	84.12
54265	Covalent_Unit_Count	1
58801077	XLogP3-AA	0.5
54676840	Undefined_Bond_Stereo_Count	0
71449989	Structure_Complexity	505
62655	Mono_Isotopic_Weight	237.88299787
16029	Tautomer_Count	1
59525132	Isotope_Atom_Count	0
15130827	Hydrogen_Bond_Acceptor_Count	2
6232	Covalent_Unit_Count	1
65614	Tautomer_Count	4
441336	Tautomer_Count	6
194774	Defined_Atom_Stereo_Count	0
22238529	Covalent_Unit_Count	1
86062	Mono_Isotopic_Weight	101.120449483
20226563	Undefined_Atom_Stereo_Count	0
61511	Total_Formal_Charge	0
448372	Non-hydrogen_Atom_Count	15
5462508	Non-hydrogen_Atom_Count	20
12251749	Undefined_Bond_Stereo_Count	0
36314	Defined_Bond_Stereo_Count	0
25561	Hydrogen_Bond_Donor_Count	3
43116	Mono_Isotopic_Weight	851.37752882
13134933	TPSA	222
539001	Total_Formal_Charge	0
53626	Exact_Mass	292.157563266
172997	TPSA	54.3
3968000	XLogP3-AA	5.1
12599600	Covalent_Unit_Count	1
51387014	Rotatable_Bond_Count	7
5702065	Defined_Atom_Stereo_Count	1
2733244	Covalent_Unit_Count	1
599225	XLogP3-AA	1.8
69589310	Undefined_Bond_Stereo_Count	0
77680	Covalent_Unit_Count	1
11501341	Mono_Isotopic_Weight	358.192206
6914131	Undefined_Bond_Stereo_Count	0
571973	Undefined_Atom_Stereo_Count	0
11954	Defined_Bond_Stereo_Count	0
13613	Hydrogen_Bond_Donor_Count	0
60359	Covalent_Unit_Count	1
369401	Rotatable_Bond_Count	0
3198	Non-hydrogen_Atom_Count	24
11553983	Mono_Isotopic_Weight	440.22122615
62277	TPSA	154
67291675	Defined_Atom_Stereo_Count	0
78323835	Hydrogen_Bond_Acceptor_Count	6
135438121	TPSA	50.7
99868	Hydrogen_Bond_Acceptor_Count	1
75987092	Hydrogen_Bond_Acceptor_Count	5
51529	Defined_Atom_Stereo_Count	0
20207	TPSA	18.5
117852135	Non-hydrogen_Atom_Count	28
2835211	Isotope_Atom_Count	0
8304	Undefined_Atom_Stereo_Count	0
994360	XLogP3-AA	3.4
7791	Rotatable_Bond_Count	12
4811	Undefined_Atom_Stereo_Count	2
287	Undefined_Atom_Stereo_Count	2
160051	Defined_Atom_Stereo_Count	0
40100	Hydrogen_Bond_Donor_Count	1
16008685	XLogP3-AA	2.7
60196273	Hydrogen_Bond_Acceptor_Count	5
734215	XLogP3	4.4
24180719	Structure_Complexity	648
9141	Undefined_Atom_Stereo_Count	0
5963	Undefined_Atom_Stereo_Count	0
54110642	TPSA	57.5
50295	Hydrogen_Bond_Donor_Count	0
7959	Structure_Complexity	108
101513786	TPSA	110
194519	Exact_Mass	304.02175079
10646616	Undefined_Bond_Stereo_Count	0
3628	Tautomer_Count	1
60196267	Rotatable_Bond_Count	1
136237946	Isotope_Atom_Count	0
54684461	Exact_Mass	462.16383041
64987	Undefined_Atom_Stereo_Count	1
68678	Rotatable_Bond_Count	3
47676	XLogP3-AA	3.5
38298	Exact_Mass	278.141913202
14133354	Hydrogen_Bond_Donor_Count	0
11684817	Rotatable_Bond_Count	12
173058	Rotatable_Bond_Count	3
6708461	Hydrogen_Bond_Acceptor_Count	16
3081386	Molecular_Weight	679.5
145742	Structure_Complexity	103
71679410	Mono_Isotopic_Weight	419.34787550
136603687	Molecular_Weight	116.08
31374	Total_Formal_Charge	0
15004699	Structure_Complexity	82.6
5284441	Undefined_Atom_Stereo_Count	1
22224184	Total_Formal_Charge	0
51585	Mono_Isotopic_Weight	224.08710092
20872204	Defined_Bond_Stereo_Count	0
38350	Defined_Bond_Stereo_Count	0
130026523	TPSA	17.1
119835	Structure_Complexity	506
13126	Rotatable_Bond_Count	5
123208701	Undefined_Atom_Stereo_Count	3
18156	Hydrogen_Bond_Donor_Count	0
22712811	Rotatable_Bond_Count	0
628127	Undefined_Atom_Stereo_Count	0
44668	Non-hydrogen_Atom_Count	17
57999543	Exact_Mass	100.100048391
56842037	Total_Formal_Charge	0
129010024	Hydrogen_Bond_Acceptor_Count	19
25142177	Total_Formal_Charge	0
11440492	Structure_Complexity	441
517063	Isotope_Atom_Count	0
74615	Non-hydrogen_Atom_Count	7
11507	Isotope_Atom_Count	0
656892	Rotatable_Bond_Count	8
68321874	Exact_Mass	335.16337692
1549004	Defined_Bond_Stereo_Count	1
12362	Hydrogen_Bond_Acceptor_Count	3
122130476	Undefined_Bond_Stereo_Count	0
97669	Defined_Atom_Stereo_Count	0
69452237	Structure_Complexity	503
14295	TPSA	20.2
16129616	Hydrogen_Bond_Acceptor_Count	55
82418997	Defined_Bond_Stereo_Count	0
19406	Undefined_Bond_Stereo_Count	0
71985	Structure_Complexity	270
71429293	Hydrogen_Bond_Donor_Count	1
16132265	Defined_Atom_Stereo_Count	36
145705672	Rotatable_Bond_Count	10
92043320	Molecular_Weight	788.9
17435	Mono_Isotopic_Weight	320.03058836
447078	Exact_Mass	747.57780557
10240769	Rotatable_Bond_Count	3
76966485	Isotope_Atom_Count	0
24597	Hydrogen_Bond_Acceptor_Count	4
156580481	Hydrogen_Bond_Donor_Count	2
31326	Undefined_Bond_Stereo_Count	0
122404566	Rotatable_Bond_Count	4
46587	Rotatable_Bond_Count	5
60168097	Defined_Bond_Stereo_Count	0
5352428	Non-hydrogen_Atom_Count	14
131634423	Total_Formal_Charge	0
56471	XLogP3	0.9
67329	Isotope_Atom_Count	0
13610	Hydrogen_Bond_Acceptor_Count	2
54399	Non-hydrogen_Atom_Count	31
10330791	Total_Formal_Charge	0
8820	Non-hydrogen_Atom_Count	7
96264	Exact_Mass	168.05349212
233208	Isotope_Atom_Count	0
5711036	Exact_Mass	179.05171847
16562	Structure_Complexity	253
10027816	Undefined_Atom_Stereo_Count	1
87322	Isotope_Atom_Count	0
3033968	Rotatable_Bond_Count	2
65552	Molecular_Weight	747.83
13559279	Rotatable_Bond_Count	3
14227	Total_Formal_Charge	0
24749711	Covalent_Unit_Count	1
23307900	Defined_Bond_Stereo_Count	0
16639	Non-hydrogen_Atom_Count	17
2771917	Undefined_Bond_Stereo_Count	0
71316127	Covalent_Unit_Count	1
21610771	Molecular_Weight	117.10
3086308	Isotope_Atom_Count	0
487856	Undefined_Bond_Stereo_Count	0
12271346	Non-hydrogen_Atom_Count	8
65752	Rotatable_Bond_Count	0
163321054	Rotatable_Bond_Count	24
69602	Molecular_Weight	153.18
57038995	Exact_Mass	96.057514874
11346811	Hydrogen_Bond_Acceptor_Count	7
248934	Total_Formal_Charge	0
81416328	Molecular_Weight	114.19
5488345	Isotope_Atom_Count	0
9960287	Rotatable_Bond_Count	10
13244862	Defined_Atom_Stereo_Count	0
76223	Total_Formal_Charge	0
23663397	TPSA	282
6427770	Defined_Bond_Stereo_Count	0
9049	Hydrogen_Bond_Acceptor_Count	1
85812	Undefined_Bond_Stereo_Count	0
11431912	Exact_Mass	495.26208790
121493662	Mono_Isotopic_Weight	1663.4923528
87962	Hydrogen_Bond_Donor_Count	1
147873	Mono_Isotopic_Weight	240.10111102
6919467	Undefined_Atom_Stereo_Count	0
17873276	TPSA	46.3
87282052	Mono_Isotopic_Weight	103.038176411
74040195	TPSA	20.1
47721	Exact_Mass	274.172150702
2032	Hydrogen_Bond_Donor_Count	2
7293	Isotope_Atom_Count	0
12518095	Defined_Atom_Stereo_Count	0
70589	Total_Formal_Charge	0
51381	Undefined_Atom_Stereo_Count	0
23551594	Rotatable_Bond_Count	0
162908	Mono_Isotopic_Weight	372.208930132
71681471	Undefined_Bond_Stereo_Count	0
44480399	Exact_Mass	393.13247072
79691	Isotope_Atom_Count	0
56972759	Isotope_Atom_Count	0
53326689	XLogP3-AA	4.5
21954793	Undefined_Atom_Stereo_Count	1
46926350	Undefined_Atom_Stereo_Count	0
649230	Hydrogen_Bond_Donor_Count	0
49837968	Rotatable_Bond_Count	3
20465494	Hydrogen_Bond_Acceptor_Count	2
23703979	Hydrogen_Bond_Acceptor_Count	9
64992	Exact_Mass	235.07053917
22033763	Mono_Isotopic_Weight	98.036779430
10429254	Defined_Bond_Stereo_Count	4
87075443	Defined_Bond_Stereo_Count	0
61059	Non-hydrogen_Atom_Count	12
123254	Hydrogen_Bond_Acceptor_Count	2
11296583	Defined_Atom_Stereo_Count	7
154107800	Hydrogen_Bond_Acceptor_Count	2
124846	Tautomer_Count	6
216208	Total_Formal_Charge	0
5364628	Isotope_Atom_Count	0
6537502	TPSA	455
137699188	Total_Formal_Charge	0
68258	Mono_Isotopic_Weight	148.088815002
24228	Covalent_Unit_Count	1
102306506	Defined_Atom_Stereo_Count	4
44563327	Molecular_Weight	518.4
90410375	Mono_Isotopic_Weight	645.18147205
21874242	Hydrogen_Bond_Donor_Count	2
2724123	Defined_Atom_Stereo_Count	0
75258	Structure_Complexity	384
72207931	Defined_Atom_Stereo_Count	0
37542	Hydrogen_Bond_Donor_Count	4
3486729	Isotope_Atom_Count	0
21498	Tautomer_Count	10
4306436	Non-hydrogen_Atom_Count	22
52943962	Exact_Mass	274.168127949
590845	Mono_Isotopic_Weight	277.10266837
83899	Tautomer_Count	1
14184222	TPSA	32.8
3654	Total_Formal_Charge	0
13511141	Structure_Complexity	274
54677946	Hydrogen_Bond_Donor_Count	1
39164	Structure_Complexity	337
3609	Total_Formal_Charge	0
54120990	Molecular_Weight	112.09
70724	Hydrogen_Bond_Donor_Count	0
57286318	Structure_Complexity	141
7375	Hydrogen_Bond_Donor_Count	1
13610389	Non-hydrogen_Atom_Count	7
7249	Undefined_Atom_Stereo_Count	0
7021156	Undefined_Atom_Stereo_Count	0
519963	Covalent_Unit_Count	1
9912474	Undefined_Bond_Stereo_Count	0
19778718	Defined_Atom_Stereo_Count	0
42521	Total_Formal_Charge	0
36218	TPSA	0
70482	XLogP3-AA	0.1
10291556	Rotatable_Bond_Count	2
16307	Hydrogen_Bond_Donor_Count	0
54022694	Undefined_Atom_Stereo_Count	1
6061	Undefined_Bond_Stereo_Count	0
101099404	Rotatable_Bond_Count	6
130354549	Defined_Bond_Stereo_Count	0
198790	Mono_Isotopic_Weight	371.94327
3723	Mono_Isotopic_Weight	627.7853
71306828	Hydrogen_Bond_Acceptor_Count	14
88762442	TPSA	58.9
10456134	TPSA	101
9462	Structure_Complexity	167
2987927	Mono_Isotopic_Weight	292.08816355
69932654	Defined_Bond_Stereo_Count	0
14647	Hydrogen_Bond_Acceptor_Count	1
516356	Covalent_Unit_Count	1
254320	Hydrogen_Bond_Donor_Count	2
15037	Mono_Isotopic_Weight	147.068413911
4594	Hydrogen_Bond_Acceptor_Count	6
129307545	Defined_Bond_Stereo_Count	1
101136808	TPSA	554
676328	Rotatable_Bond_Count	6
46244883	Defined_Bond_Stereo_Count	0
9930	Undefined_Atom_Stereo_Count	0
11080	Hydrogen_Bond_Acceptor_Count	2
125110	Isotope_Atom_Count	0
84930	Molecular_Weight	202.25
71443	Molecular_Weight	408.09
6441606	Undefined_Atom_Stereo_Count	0
14862984	Undefined_Bond_Stereo_Count	0
8672	Undefined_Atom_Stereo_Count	0
19710	Molecular_Weight	118.13
189562	Structure_Complexity	483
23434	Structure_Complexity	425
91747288	Isotope_Atom_Count	0
10333641	Exact_Mass	275.93957
9789	Mono_Isotopic_Weight	121.01393355
81902	Exact_Mass	184.0654927
53321481	TPSA	96.6
54445182	TPSA	110
10953595	Hydrogen_Bond_Donor_Count	0
521158	Hydrogen_Bond_Donor_Count	1
3425	Isotope_Atom_Count	0
20624744	Hydrogen_Bond_Donor_Count	2
7098662	Defined_Atom_Stereo_Count	10
10742787	Hydrogen_Bond_Donor_Count	4
5311505	Undefined_Atom_Stereo_Count	0
15558638	TPSA	43.4
671761	Molecular_Weight	265.21
417875	Molecular_Weight	112.09
1550330	Non-hydrogen_Atom_Count	21
16005262	Mono_Isotopic_Weight	98.084398327
8737	Exact_Mass	183.0298355
57229732	Non-hydrogen_Atom_Count	8
431631	Molecular_Weight	100.12
40701	Tautomer_Count	1
126969014	Non-hydrogen_Atom_Count	52
5424	Hydrogen_Bond_Acceptor_Count	6
83966	Defined_Atom_Stereo_Count	0
5281116	Mono_Isotopic_Weight	338.318480578
58137137	Rotatable_Bond_Count	5
7807	TPSA	26
9941306	Hydrogen_Bond_Donor_Count	12
1752	Molecular_Weight	220.35
535053	Rotatable_Bond_Count	1
688356	Structure_Complexity	394
129891	TPSA	37.3
15413224	Hydrogen_Bond_Donor_Count	3
16161315	Hydrogen_Bond_Donor_Count	22
23663982	Hydrogen_Bond_Acceptor_Count	5
133562676	Undefined_Bond_Stereo_Count	0
52941509	Undefined_Bond_Stereo_Count	0
141289	Rotatable_Bond_Count	3
182951	Molecular_Weight	413.2
135499520	TPSA	155
7057961	Defined_Bond_Stereo_Count	0
70689447	Exact_Mass	472.12224
24755480	Undefined_Atom_Stereo_Count	0
17349	Defined_Bond_Stereo_Count	0
45452	Defined_Bond_Stereo_Count	0
63346	Defined_Bond_Stereo_Count	0
5289247	Exact_Mass	257.02589765
443880	Total_Formal_Charge	0
76973723	Mono_Isotopic_Weight	1213.91668897
1674	Isotope_Atom_Count	0
46174097	Covalent_Unit_Count	1
72253	Defined_Bond_Stereo_Count	0
4195	TPSA	93.8
67936	Rotatable_Bond_Count	1
82295	TPSA	142
21187507	Undefined_Atom_Stereo_Count	0
2723772	Exact_Mass	116.01566732
12491609	Exact_Mass	112.088815002
18953179	Mono_Isotopic_Weight	626.7775
2724588	Hydrogen_Bond_Acceptor_Count	9
12304	Hydrogen_Bond_Donor_Count	0
4578	Rotatable_Bond_Count	3
5256168	Tautomer_Count	1
151419	Undefined_Atom_Stereo_Count	0
56673690	Molecular_Weight	508.0
101621558	Structure_Complexity	489
9824345	Molecular_Weight	436.5
9995043	Undefined_Atom_Stereo_Count	0
59819	Total_Formal_Charge	1
18177388	Undefined_Atom_Stereo_Count	1
4737	Defined_Bond_Stereo_Count	0
23689980	Exact_Mass	117.97005941
628127	Structure_Complexity	310
543129	Covalent_Unit_Count	1
32249	Hydrogen_Bond_Donor_Count	1
4528	Non-hydrogen_Atom_Count	18
192630	Undefined_Bond_Stereo_Count	0
5282131	Undefined_Atom_Stereo_Count	0
10143006	Exact_Mass	526.04954
1131	Hydrogen_Bond_Acceptor_Count	8
83346	Hydrogen_Bond_Acceptor_Count	2
5603	XLogP3	2.4
63610	XLogP3-AA	4.8
135505	XLogP3-AA	4.4
61691030	Rotatable_Bond_Count	2
65835	Defined_Bond_Stereo_Count	0
502	Total_Formal_Charge	0
10459649	Structure_Complexity	957
146019527	Exact_Mass	691.061419
76871762	Covalent_Unit_Count	2
57978852	Total_Formal_Charge	0
537037	Total_Formal_Charge	0
321937	Defined_Atom_Stereo_Count	0
24848222	Hydrogen_Bond_Donor_Count	1
17930361	Covalent_Unit_Count	1
6451257	Defined_Atom_Stereo_Count	4
44291156	Total_Formal_Charge	0
1815	Mono_Isotopic_Weight	417.07372967
6803597	Non-hydrogen_Atom_Count	26
163872483	Undefined_Atom_Stereo_Count	3
565600	Hydrogen_Bond_Acceptor_Count	2
135513267	Total_Formal_Charge	0
17185	Rotatable_Bond_Count	7
11156438	Total_Formal_Charge	0
9874874	TPSA	174
5280570	Undefined_Bond_Stereo_Count	0
25010738	Non-hydrogen_Atom_Count	30
18923030	Isotope_Atom_Count	0
14808025	Hydrogen_Bond_Donor_Count	1
138611145	Non-hydrogen_Atom_Count	43
15034112	Isotope_Atom_Count	0
126843096	Defined_Atom_Stereo_Count	20
1438038	Defined_Bond_Stereo_Count	0
10337265	Covalent_Unit_Count	1
274412	Exact_Mass	114.068079557
19774	Undefined_Bond_Stereo_Count	0
2251	Rotatable_Bond_Count	8
11340940	Isotope_Atom_Count	0
130802	Non-hydrogen_Atom_Count	13
45120438	Isotope_Atom_Count	0
16726085	Total_Formal_Charge	0
53436345	Isotope_Atom_Count	0
69965423	Hydrogen_Bond_Donor_Count	1
446973	Exact_Mass	90.068079557
24229456	Mono_Isotopic_Weight	108.032362755
91763	Undefined_Bond_Stereo_Count	0
138394128	Mono_Isotopic_Weight	624.171497
1328	XLogP3	2.9
6009	Structure_Complexity	343
5288527	Total_Formal_Charge	0
38235	Structure_Complexity	221
67598	Hydrogen_Bond_Donor_Count	0
20384488	Hydrogen_Bond_Acceptor_Count	1
545963	Isotope_Atom_Count	0
27287	Tautomer_Count	1
135977933	Hydrogen_Bond_Acceptor_Count	0
54545615	Exact_Mass	98.073164938
536683	Total_Formal_Charge	0
435360	Covalent_Unit_Count	1
6332	Rotatable_Bond_Count	0
834	Defined_Atom_Stereo_Count	0
53734710	Molecular_Weight	61.06
2332	Rotatable_Bond_Count	1
688451	Molecular_Weight	236.31
101016656	Defined_Atom_Stereo_Count	0
716995	Molecular_Weight	270.33
662452	Hydrogen_Bond_Acceptor_Count	7
316249	Defined_Atom_Stereo_Count	0
9538	TPSA	17.1
548787	Structure_Complexity	127
60196271	Covalent_Unit_Count	5
140905	Defined_Atom_Stereo_Count	0
59539	Undefined_Atom_Stereo_Count	0
3243871	Exact_Mass	366.0771200
5087	Exact_Mass	278.16304257
9229	Total_Formal_Charge	0
107715	Isotope_Atom_Count	0
14322	Hydrogen_Bond_Donor_Count	1
9821941	Hydrogen_Bond_Acceptor_Count	5
20838642	Tautomer_Count	2
118971790	Isotope_Atom_Count	0
15564	Molecular_Weight	242.3
220338	Tautomer_Count	1
6014	Mono_Isotopic_Weight	320.1113975
31211	Molecular_Weight	194.23
5281769	Defined_Atom_Stereo_Count	4
9939627	Hydrogen_Bond_Acceptor_Count	11
10909529	Total_Formal_Charge	0
12068306	Exact_Mass	94.078250319
638026	TPSA	29.5
61055	Total_Formal_Charge	0
55287849	Non-hydrogen_Atom_Count	7
72728690	Total_Formal_Charge	0
12865500	Non-hydrogen_Atom_Count	8
40467053	Undefined_Bond_Stereo_Count	0
11499271	Exact_Mass	162.0559907
102242	Non-hydrogen_Atom_Count	22
130023	Hydrogen_Bond_Donor_Count	2
138107735	Defined_Atom_Stereo_Count	4
41170	Total_Formal_Charge	0
23725095	Tautomer_Count	2
7923	Defined_Bond_Stereo_Count	0
51886	Molecular_Weight	209.20
5289284	Isotope_Atom_Count	0
141836779	TPSA	20.2
164695	Rotatable_Bond_Count	2
15980838	Total_Formal_Charge	0
2796	XLogP3	3.3
1976	Structure_Complexity	968
24995524	Exact_Mass	430.0437292
11632737	Mono_Isotopic_Weight	401.11218768
71515466	Rotatable_Bond_Count	36
68127236	Structure_Complexity	157
2353	XLogP3-AA	3.6
12366	XLogP3-AA	7.8
107918	Hydrogen_Bond_Donor_Count	11
57516046	Total_Formal_Charge	0
139600236	Rotatable_Bond_Count	2
2827646	Undefined_Bond_Stereo_Count	0
534838	Isotope_Atom_Count	0
21615038	Hydrogen_Bond_Acceptor_Count	4
102131130	Undefined_Atom_Stereo_Count	1
25381	Total_Formal_Charge	0
52938427	Mono_Isotopic_Weight	404.18484064
135423771	Rotatable_Bond_Count	2
96807	Hydrogen_Bond_Donor_Count	1
89748954	TPSA	20.2
80518	Undefined_Atom_Stereo_Count	0
129796414	Molecular_Weight	177.22
106824195	Undefined_Bond_Stereo_Count	0
2724896	Undefined_Atom_Stereo_Count	0
8784	XLogP3	2.1
10013505	Defined_Bond_Stereo_Count	0
150736	Mono_Isotopic_Weight	204.06338810
8467	Mono_Isotopic_Weight	166.062994177
89359	Molecular_Weight	220.22
39468	Mono_Isotopic_Weight	291.18344366
74470	TPSA	55.8
165971	Structure_Complexity	0
69333796	Undefined_Atom_Stereo_Count	0
15614042	Isotope_Atom_Count	0
455742	Hydrogen_Bond_Acceptor_Count	12
134755071	Non-hydrogen_Atom_Count	60
3082754	Isotope_Atom_Count	0
5225	Exact_Mass	420.09912215
81531	Rotatable_Bond_Count	3
22150757	Total_Formal_Charge	0
96910	Molecular_Weight	281.33
97375	Undefined_Atom_Stereo_Count	0
10907	Mono_Isotopic_Weight	114.140850574
1650	Covalent_Unit_Count	1
61305	Undefined_Bond_Stereo_Count	0
441384	Defined_Bond_Stereo_Count	0
640543	Covalent_Unit_Count	1
109014	Defined_Atom_Stereo_Count	0
632910	Defined_Atom_Stereo_Count	0
9952	TPSA	29.5
687	Undefined_Atom_Stereo_Count	3
2723810	Hydrogen_Bond_Acceptor_Count	2
273577	Structure_Complexity	272
5360516	Covalent_Unit_Count	1
10975462	Mono_Isotopic_Weight	116.047344113
10493	Molecular_Weight	548.7
146160332	Isotope_Atom_Count	0
2884	Structure_Complexity	1930
136219151	Exact_Mass	404.1767745
21192814	Hydrogen_Bond_Acceptor_Count	4
12229396	Isotope_Atom_Count	0
90622	Undefined_Atom_Stereo_Count	0
66448	Isotope_Atom_Count	0
85339	TPSA	37.3
16683023	Defined_Atom_Stereo_Count	0
6918485	Tautomer_Count	2
23335962	Defined_Atom_Stereo_Count	0
23649154	Covalent_Unit_Count	1
51425	Defined_Atom_Stereo_Count	0
67060	Total_Formal_Charge	0
9916237	Non-hydrogen_Atom_Count	22
45511	Hydrogen_Bond_Donor_Count	0
11543746	XLogP3-AA	2.3
8090	Mono_Isotopic_Weight	312.302830514
69631	Total_Formal_Charge	0
20656311	Hydrogen_Bond_Donor_Count	0
22753607	Structure_Complexity	139
94381	TPSA	58.2
118578546	Molecular_Weight	100.16
11049	Molecular_Weight	647.9
66053	Covalent_Unit_Count	1
2783279	Mono_Isotopic_Weight	151.00451168
71808	Structure_Complexity	147
7292	Covalent_Unit_Count	1
27236	Covalent_Unit_Count	1
26975	Rotatable_Bond_Count	4
57800	Undefined_Atom_Stereo_Count	0
54757209	Exact_Mass	508.1699750
137782	TPSA	0
65404	Rotatable_Bond_Count	7
300312	Hydrogen_Bond_Acceptor_Count	1
44392220	Hydrogen_Bond_Donor_Count	1
14758064	Mono_Isotopic_Weight	131.048347172
10000989	Undefined_Atom_Stereo_Count	0
146157727	Isotope_Atom_Count	0
9795276	Structure_Complexity	245
724045	Hydrogen_Bond_Acceptor_Count	4
520998	Exact_Mass	99.104799419
90895	Tautomer_Count	1
21670561	TPSA	0
46830489	Exact_Mass	330.18444672
14654469	Mono_Isotopic_Weight	105.078978594
11539235	Defined_Atom_Stereo_Count	0
57396865	XLogP3-AA	3.5
18944758	Hydrogen_Bond_Acceptor_Count	6
280	Isotope_Atom_Count	0
2800	Hydrogen_Bond_Donor_Count	0
3073763	Molecular_Weight	208.69
8927	Defined_Atom_Stereo_Count	0
5287879	Non-hydrogen_Atom_Count	59
162569	Hydrogen_Bond_Acceptor_Count	6
26369	Rotatable_Bond_Count	2
588860	Rotatable_Bond_Count	2
16249	Isotope_Atom_Count	0
66747531	TPSA	38.1
7984	Structure_Complexity	201
133562785	Rotatable_Bond_Count	19
15093812	Covalent_Unit_Count	1
8631	Defined_Bond_Stereo_Count	0
44755146	TPSA	117
10275789	Rotatable_Bond_Count	4
11170949	Hydrogen_Bond_Acceptor_Count	2
19768890	Defined_Bond_Stereo_Count	0
90258	TPSA	82.8
129806	Mono_Isotopic_Weight	481.16828496
38464	Undefined_Bond_Stereo_Count	0
141281584	XLogP3-AA	1.7
13578	Total_Formal_Charge	0
968081	Undefined_Bond_Stereo_Count	0
70614444	TPSA	75.7
83822	Molecular_Weight	388.8
28830	Covalent_Unit_Count	2
9984	Isotope_Atom_Count	0
53954226	Hydrogen_Bond_Acceptor_Count	2
75530316	Defined_Bond_Stereo_Count	0
4019	Defined_Atom_Stereo_Count	0
24917008	Exact_Mass	290.23313350
641298	Structure_Complexity	163
1481	Rotatable_Bond_Count	10
123385940	Undefined_Atom_Stereo_Count	4
51029782	Mono_Isotopic_Weight	401.20630436
54608508	Total_Formal_Charge	0
665387	Hydrogen_Bond_Donor_Count	1
483180	Tautomer_Count	1
6918493	Molecular_Weight	378.4
5460389	Mono_Isotopic_Weight	167.03443370
155142	Hydrogen_Bond_Donor_Count	0
2723754	Structure_Complexity	229
16138787	Mono_Isotopic_Weight	1131.32532709
6918454	TPSA	50.4
38350	Undefined_Atom_Stereo_Count	0
7238	Defined_Atom_Stereo_Count	0
143682218	Exact_Mass	95.073499291
103451510	XLogP3-AA	0.2
9953272	Structure_Complexity	546
9888075	Covalent_Unit_Count	2
202877	Exact_Mass	256.0240655
66137	Isotope_Atom_Count	0
11979606	Hydrogen_Bond_Acceptor_Count	14
8710	Covalent_Unit_Count	1
20299878	Non-hydrogen_Atom_Count	7
3279	Defined_Bond_Stereo_Count	0
82736	Undefined_Bond_Stereo_Count	0
6328144	Hydrogen_Bond_Acceptor_Count	0
69627068	Covalent_Unit_Count	1
25130088	Undefined_Atom_Stereo_Count	0
67630	XLogP3-AA	0.8
526739	Hydrogen_Bond_Donor_Count	0
66673773	Molecular_Weight	114.08
3763454	Tautomer_Count	1
76344	Hydrogen_Bond_Acceptor_Count	4
12576587	Defined_Bond_Stereo_Count	0
10079877	Molecular_Weight	1111.3
9930448	Defined_Bond_Stereo_Count	0
88180	Isotope_Atom_Count	0
461003	Non-hydrogen_Atom_Count	31
6055792	Structure_Complexity	452
14676	Hydrogen_Bond_Donor_Count	1
54126628	Defined_Atom_Stereo_Count	0
4274588	TPSA	69.6
42231	Tautomer_Count	4
65124	TPSA	129
14109	XLogP3	5.5
60790	Mono_Isotopic_Weight	384.16852187
8658	Hydrogen_Bond_Donor_Count	0
5382	Hydrogen_Bond_Acceptor_Count	4
123934238	Molecular_Weight	114.14
12111	Isotope_Atom_Count	0
15208263	Structure_Complexity	155
126969152	Defined_Bond_Stereo_Count	0
216324	Mono_Isotopic_Weight	371.00508323
59330719	Non-hydrogen_Atom_Count	8
21538770	Mono_Isotopic_Weight	102.068079557
114823056	Rotatable_Bond_Count	0
317846	Rotatable_Bond_Count	1
3006315	Rotatable_Bond_Count	2
68289	Rotatable_Bond_Count	0
6307	Exact_Mass	289.0287901
4294	Rotatable_Bond_Count	4
193001	Covalent_Unit_Count	1
65327	Mono_Isotopic_Weight	302.1549764
12791421	Defined_Atom_Stereo_Count	0
560193	Undefined_Bond_Stereo_Count	0
25013898	Undefined_Atom_Stereo_Count	3
68323	Hydrogen_Bond_Acceptor_Count	1
91635	Molecular_Weight	360.9
20253	Undefined_Atom_Stereo_Count	1
138621	Total_Formal_Charge	0
14716	Hydrogen_Bond_Acceptor_Count	4
6971018	Undefined_Atom_Stereo_Count	0
5885	Molecular_Weight	743.4
58880543	Undefined_Bond_Stereo_Count	0
9867361	Covalent_Unit_Count	1
60150330	TPSA	63.3
28557	Undefined_Bond_Stereo_Count	0
6475	Undefined_Bond_Stereo_Count	0
36	Structure_Complexity	186
15182658	Hydrogen_Bond_Acceptor_Count	2
44258737	Defined_Bond_Stereo_Count	0
71401	Covalent_Unit_Count	2
54892	Isotope_Atom_Count	0
16441	Covalent_Unit_Count	1
53960	TPSA	33.5
156588860	Hydrogen_Bond_Acceptor_Count	14
59296041	Rotatable_Bond_Count	8
20587930	Exact_Mass	100.052429494
21998683	Exact_Mass	97.089149355
6197820	Hydrogen_Bond_Acceptor_Count	6
62278	Undefined_Bond_Stereo_Count	0
17783223	Undefined_Bond_Stereo_Count	0
28697	Tautomer_Count	1
6289	Non-hydrogen_Atom_Count	19
31272	Total_Formal_Charge	0
61660	Exact_Mass	156.02450067
130026523	Structure_Complexity	121
9841854	Defined_Bond_Stereo_Count	0
11758093	Structure_Complexity	969
9868219	Undefined_Atom_Stereo_Count	0
41097873	Structure_Complexity	494
16710	Rotatable_Bond_Count	7
24870668	XLogP3-AA	2.1
13400657	Undefined_Atom_Stereo_Count	1
11908490	Undefined_Atom_Stereo_Count	0
91575456	Total_Formal_Charge	0
21956312	Isotope_Atom_Count	0
664081	Structure_Complexity	399
641115	Non-hydrogen_Atom_Count	19
65894	Defined_Bond_Stereo_Count	0
3036056	Defined_Atom_Stereo_Count	0
12355883	Hydrogen_Bond_Acceptor_Count	8
70695756	Defined_Atom_Stereo_Count	0
3955	Isotope_Atom_Count	0
91657	Defined_Atom_Stereo_Count	0
28048	Hydrogen_Bond_Donor_Count	0
20653	TPSA	37.3
24678	Molecular_Weight	333.2
9839519	TPSA	55.8
71306478	Rotatable_Bond_Count	3
14842863	Mono_Isotopic_Weight	351.15426879
299882	Hydrogen_Bond_Acceptor_Count	0
19930616	Mono_Isotopic_Weight	99.068413911
7851	Defined_Bond_Stereo_Count	0
63075	Hydrogen_Bond_Acceptor_Count	0
6693	Undefined_Bond_Stereo_Count	0
8133	Defined_Bond_Stereo_Count	0
23713879	Undefined_Atom_Stereo_Count	0
65562	Covalent_Unit_Count	1
51029603	Hydrogen_Bond_Donor_Count	0
99129	XLogP3-AA	0.1
82652	Defined_Atom_Stereo_Count	0
146156358	Defined_Bond_Stereo_Count	0
168971	XLogP3-AA	1.1
23029	XLogP3	3.7
139593469	Hydrogen_Bond_Acceptor_Count	20
11813	Defined_Bond_Stereo_Count	0
54246209	Covalent_Unit_Count	1
12008703	Mono_Isotopic_Weight	105.057849228
20055404	Defined_Bond_Stereo_Count	0
74746	Covalent_Unit_Count	1
12387212	Structure_Complexity	54.9
81450	Molecular_Weight	230.24
15043884	Rotatable_Bond_Count	2
27826	Tautomer_Count	1
3014295	Total_Formal_Charge	0
59868328	XLogP3-AA	3.3
14708733	Molecular_Weight	408.4
70240	TPSA	100
62572	Rotatable_Bond_Count	4
11687	Non-hydrogen_Atom_Count	25
68895	XLogP3-AA	1.3
11257	Non-hydrogen_Atom_Count	20
440211	Hydrogen_Bond_Acceptor_Count	12
680	Structure_Complexity	270
5372405	Covalent_Unit_Count	1
23080859	Hydrogen_Bond_Acceptor_Count	2
17045	Defined_Atom_Stereo_Count	0
3958	Total_Formal_Charge	0
3082518	Defined_Atom_Stereo_Count	4
31202	TPSA	0
13190463	Total_Formal_Charge	0
67420901	Exact_Mass	110.048012819
83466	TPSA	18.5
23668195	Isotope_Atom_Count	0
135413554	Covalent_Unit_Count	1
75646	TPSA	26
198231	Defined_Bond_Stereo_Count	0
3084049	Exact_Mass	799.22325494
71094775	Mono_Isotopic_Weight	342.11621151
19847	Molecular_Weight	283.2
398743	Molecular_Weight	249.82
60196344	Structure_Complexity	773
46127	Hydrogen_Bond_Donor_Count	1
12933341	Covalent_Unit_Count	1
235090	Tautomer_Count	2
2453568	Isotope_Atom_Count	0
3225	Covalent_Unit_Count	1
131697803	Isotope_Atom_Count	3
20992	Covalent_Unit_Count	1
23677989	Exact_Mass	751.15939355
45271369	Molecular_Weight	367.5
76319	Hydrogen_Bond_Acceptor_Count	1
573419	Molecular_Weight	110.11
53893636	Rotatable_Bond_Count	2
25185057	Covalent_Unit_Count	1
2017	Total_Formal_Charge	0
79267	Hydrogen_Bond_Donor_Count	1
19424352	Undefined_Bond_Stereo_Count	0
68337933	Undefined_Atom_Stereo_Count	1
138971591	Undefined_Atom_Stereo_Count	1
2300	Structure_Complexity	418
87282052	Molecular_Weight	103.08
639095	Hydrogen_Bond_Donor_Count	1
3356829	Molecular_Weight	118.52
5360134	Rotatable_Bond_Count	2
14643618	Hydrogen_Bond_Acceptor_Count	2
14116047	Total_Formal_Charge	0
42301	Undefined_Bond_Stereo_Count	0
1711973	XLogP3	5.5
9847164	Hydrogen_Bond_Acceptor_Count	5
31257	Total_Formal_Charge	0
72200849	Undefined_Atom_Stereo_Count	0
25142309	Hydrogen_Bond_Acceptor_Count	4
17318	Exact_Mass	248.10800027
448580	Total_Formal_Charge	0
12571167	Hydrogen_Bond_Donor_Count	0
135400916	Undefined_Bond_Stereo_Count	0
12310749	Defined_Atom_Stereo_Count	7
5365585	Hydrogen_Bond_Acceptor_Count	0
51017507	Defined_Bond_Stereo_Count	1
102491	Defined_Bond_Stereo_Count	0
10305301	Hydrogen_Bond_Acceptor_Count	12
60201425	Hydrogen_Bond_Donor_Count	2
449355	Non-hydrogen_Atom_Count	44
22397445	Undefined_Atom_Stereo_Count	0
37839	Non-hydrogen_Atom_Count	17
148139	Isotope_Atom_Count	0
73986	Total_Formal_Charge	0
630227	Covalent_Unit_Count	1
87291665	Isotope_Atom_Count	0
4659387	Exact_Mass	444.15821500
123542468	Defined_Atom_Stereo_Count	0
47289	Tautomer_Count	2
19784	Total_Formal_Charge	0
74760	Total_Formal_Charge	0
74441087	Total_Formal_Charge	1
6537099	Total_Formal_Charge	0
5283632	Covalent_Unit_Count	1
7081	Structure_Complexity	278
5813	Tautomer_Count	10
66829	Covalent_Unit_Count	1
24848345	Molecular_Weight	234.31
117291	TPSA	52.6
75389	Defined_Atom_Stereo_Count	0
74710	Undefined_Bond_Stereo_Count	0
55423	Total_Formal_Charge	0
101626738	Isotope_Atom_Count	0
101744	Total_Formal_Charge	0
22719613	XLogP3-AA	0.9
317677	Exact_Mass	114.068079557
11269429	Undefined_Atom_Stereo_Count	0
56644402	Mono_Isotopic_Weight	382.17936134
44404643	Rotatable_Bond_Count	12
5776	Defined_Bond_Stereo_Count	0
656506	Molecular_Weight	448.5
14077	Defined_Bond_Stereo_Count	0
6477186	Mono_Isotopic_Weight	534.17261902
57392965	Structure_Complexity	877
15513	Exact_Mass	180.04225873
61059	Covalent_Unit_Count	1
7635	XLogP3-AA	3.2
44755146	Molecular_Weight	326.17
36647	Hydrogen_Bond_Donor_Count	0
15301	Isotope_Atom_Count	0
21067	Undefined_Bond_Stereo_Count	0
9387	TPSA	0
9963894	Hydrogen_Bond_Acceptor_Count	44
11957725	Undefined_Bond_Stereo_Count	0
20339874	Undefined_Bond_Stereo_Count	0
53395363	Defined_Bond_Stereo_Count	0
8061	XLogP3	1.1
9935526	Covalent_Unit_Count	1
439306	Undefined_Atom_Stereo_Count	3
21517	Defined_Atom_Stereo_Count	0
5284553	Hydrogen_Bond_Acceptor_Count	12
101254311	Non-hydrogen_Atom_Count	12
11412	Total_Formal_Charge	0
12340	Mono_Isotopic_Weight	88.088815002
12507	Hydrogen_Bond_Donor_Count	0
139084136	Undefined_Atom_Stereo_Count	0
5308742	Rotatable_Bond_Count	3
138059757	Defined_Atom_Stereo_Count	8
121209144	Exact_Mass	113.084063974
7157007	Covalent_Unit_Count	1
4317	Undefined_Bond_Stereo_Count	0
497698	Covalent_Unit_Count	1
11725	Non-hydrogen_Atom_Count	5
2743	XLogP3	3.4
165495	Undefined_Bond_Stereo_Count	0
24901351	Isotope_Atom_Count	0
13400858	Undefined_Atom_Stereo_Count	1
2122	Undefined_Atom_Stereo_Count	1
70543261	Defined_Bond_Stereo_Count	0
10126081	Undefined_Atom_Stereo_Count	0
70881	Hydrogen_Bond_Acceptor_Count	3
52944340	Total_Formal_Charge	0
91604	Undefined_Atom_Stereo_Count	1
65637	Undefined_Atom_Stereo_Count	0
70693538	TPSA	136
11319223	Undefined_Atom_Stereo_Count	0
22675	Hydrogen_Bond_Acceptor_Count	2
31202	Covalent_Unit_Count	2
13858	Defined_Atom_Stereo_Count	0
4808	Defined_Atom_Stereo_Count	0
2722	Covalent_Unit_Count	1
117640	Structure_Complexity	197
3480590	Exact_Mass	252.06338810
23777801	Tautomer_Count	1
14026391	Non-hydrogen_Atom_Count	8
6420057	Tautomer_Count	1
123212370	Defined_Atom_Stereo_Count	0
6953	Rotatable_Bond_Count	0
115208	Tautomer_Count	2
117957447	Hydrogen_Bond_Donor_Count	2
59834563	Mono_Isotopic_Weight	372.16985928
20157043	Hydrogen_Bond_Donor_Count	1
8395	Molecular_Weight	324.3
3254	Isotope_Atom_Count	0
25323	Structure_Complexity	139
73653033	Hydrogen_Bond_Donor_Count	1
69158	XLogP3	3.4
13838	Isotope_Atom_Count	0
439183	Defined_Bond_Stereo_Count	0
18616638	Exact_Mass	99.068413911
86233	Covalent_Unit_Count	1
96135	Undefined_Atom_Stereo_Count	0
21786118	Defined_Bond_Stereo_Count	0
21803	Undefined_Bond_Stereo_Count	0
18233	Isotope_Atom_Count	0
115205	Tautomer_Count	3
37460	Defined_Atom_Stereo_Count	3
71812105	Undefined_Atom_Stereo_Count	1
671214	Total_Formal_Charge	0
103535	Covalent_Unit_Count	1
41376	Undefined_Bond_Stereo_Count	0
39421	Total_Formal_Charge	0
59755737	Covalent_Unit_Count	1
23677960	Covalent_Unit_Count	4
13157	Hydrogen_Bond_Donor_Count	1
447378	Molecular_Weight	443.4
6929	Structure_Complexity	223
132420	Undefined_Bond_Stereo_Count	0
14222	Defined_Atom_Stereo_Count	0
61718	Mono_Isotopic_Weight	256.16745924
6409631	Hydrogen_Bond_Donor_Count	8
132236745	Covalent_Unit_Count	1
25008	Hydrogen_Bond_Donor_Count	0
3648	Undefined_Atom_Stereo_Count	4
67711	Covalent_Unit_Count	1
22512	Isotope_Atom_Count	0
119171	Defined_Atom_Stereo_Count	0
144147883	Hydrogen_Bond_Donor_Count	1
13492441	Mono_Isotopic_Weight	109.063997236
91168	TPSA	37.3
164034646	Hydrogen_Bond_Donor_Count	1
5466987	Molecular_Weight	435.4
70608	Defined_Bond_Stereo_Count	0
58701785	Hydrogen_Bond_Acceptor_Count	8
6420378	Covalent_Unit_Count	1
141295139	XLogP3-AA	0.7
19920	Undefined_Bond_Stereo_Count	0
6432517	Structure_Complexity	500
57445155	Total_Formal_Charge	0
55290887	Structure_Complexity	94
163488608	Isotope_Atom_Count	0
6917662	Hydrogen_Bond_Donor_Count	2
90487871	Hydrogen_Bond_Donor_Count	1
3058754	Defined_Bond_Stereo_Count	0
9578507	Defined_Bond_Stereo_Count	4
131874127	TPSA	46.9
2779024	Defined_Bond_Stereo_Count	0
22759544	XLogP3-AA	0.1
70103	Rotatable_Bond_Count	0
44154493	Non-hydrogen_Atom_Count	30
15559460	Undefined_Atom_Stereo_Count	5
13521	Hydrogen_Bond_Acceptor_Count	4
51504	Exact_Mass	356.2230560
403646	Hydrogen_Bond_Acceptor_Count	3
67954811	Covalent_Unit_Count	1
57004451	Defined_Atom_Stereo_Count	0
75252	XLogP3-AA	2.5
6539026	Hydrogen_Bond_Acceptor_Count	8
92043179	Covalent_Unit_Count	2
5462210	Isotope_Atom_Count	0
18624855	Covalent_Unit_Count	1
81729	Defined_Atom_Stereo_Count	0
16722832	Molecular_Weight	509.7
21092	Covalent_Unit_Count	1
44596	Molecular_Weight	129.24
102239760	Hydrogen_Bond_Acceptor_Count	7
46173365	Mono_Isotopic_Weight	552.03040840
641385	Exact_Mass	453.02218945
87869	TPSA	213
69146	Hydrogen_Bond_Donor_Count	0
15881135	Defined_Bond_Stereo_Count	0
66137	Tautomer_Count	1
3465817	Tautomer_Count	1
16219744	Exact_Mass	252.0165308
4759	Undefined_Atom_Stereo_Count	4
15657909	Defined_Atom_Stereo_Count	0
68986	Hydrogen_Bond_Donor_Count	1
14924951	Structure_Complexity	66.1
222284	Structure_Complexity	634
135403803	Hydrogen_Bond_Donor_Count	3
7487	Undefined_Bond_Stereo_Count	0
656911	Tautomer_Count	3
3328	Non-hydrogen_Atom_Count	20
92023654	Hydrogen_Bond_Acceptor_Count	14
54152337	Hydrogen_Bond_Donor_Count	4
96281	Structure_Complexity	550
86054107	Total_Formal_Charge	0
20752947	Covalent_Unit_Count	1
6496	Covalent_Unit_Count	1
5640	Tautomer_Count	3
7361	Undefined_Atom_Stereo_Count	0
141315890	Defined_Bond_Stereo_Count	0
36689113	TPSA	114
46936750	Non-hydrogen_Atom_Count	23
2105	Undefined_Bond_Stereo_Count	0
70995	Undefined_Bond_Stereo_Count	0
16536	Total_Formal_Charge	0
57394708	Molecular_Weight	459.5
287350	Covalent_Unit_Count	1
3225	Hydrogen_Bond_Donor_Count	2
11366997	Hydrogen_Bond_Donor_Count	1
87359450	Isotope_Atom_Count	0
11558904	Total_Formal_Charge	0
2778	Undefined_Atom_Stereo_Count	17
672	Undefined_Atom_Stereo_Count	3
54587596	Non-hydrogen_Atom_Count	32
694041	Exact_Mass	294.10044231
28610	Defined_Bond_Stereo_Count	0
6456	Tautomer_Count	1
4336361	Non-hydrogen_Atom_Count	22
71	Non-hydrogen_Atom_Count	11
11858154	Undefined_Atom_Stereo_Count	0
85057	Hydrogen_Bond_Donor_Count	2
1419	Hydrogen_Bond_Donor_Count	0
3958	Undefined_Atom_Stereo_Count	1
16215	Isotope_Atom_Count	0
5368831	Tautomer_Count	1
479	Structure_Complexity	284
13624608	Hydrogen_Bond_Donor_Count	1
135643052	Mono_Isotopic_Weight	224.07970687
41772	Undefined_Bond_Stereo_Count	0
62531	Defined_Bond_Stereo_Count	0
172306	Isotope_Atom_Count	0
14651092	TPSA	69.6
90895196	Isotope_Atom_Count	0
18506387	Defined_Bond_Stereo_Count	0
91759534	Molecular_Weight	225.02
71986	Undefined_Bond_Stereo_Count	0
53631526	Exact_Mass	113.047678466
6971007	Mono_Isotopic_Weight	180.06338810
84506	Undefined_Atom_Stereo_Count	0
21719953	Total_Formal_Charge	0
8593	Defined_Atom_Stereo_Count	0
417575	Exact_Mass	100.052429494
550642	Mono_Isotopic_Weight	112.088815002
10261049	Undefined_Bond_Stereo_Count	0
57131886	Hydrogen_Bond_Acceptor_Count	1
12248932	Isotope_Atom_Count	0
75577315	Defined_Atom_Stereo_Count	0
644160	Undefined_Atom_Stereo_Count	0
69938	Hydrogen_Bond_Donor_Count	0
69484	TPSA	43.4
83800	Undefined_Bond_Stereo_Count	0
14340	Defined_Atom_Stereo_Count	0
8859	Undefined_Atom_Stereo_Count	0
135398701	Defined_Bond_Stereo_Count	0
46225290	Covalent_Unit_Count	1
69393	Total_Formal_Charge	0
57402175	Hydrogen_Bond_Acceptor_Count	11
85585524	Undefined_Bond_Stereo_Count	0
137184495	Structure_Complexity	714
123994818	Molecular_Weight	87.12
51340308	Defined_Atom_Stereo_Count	0
4924	Exact_Mass	219.02319428
9863672	Exact_Mass	323.11037616
157727	Undefined_Atom_Stereo_Count	0
46936772	Non-hydrogen_Atom_Count	42
60196431	Non-hydrogen_Atom_Count	23
45789889	Structure_Complexity	49.5
45380694	Isotope_Atom_Count	0
123178849	Undefined_Bond_Stereo_Count	0
156618074	Covalent_Unit_Count	1
91807240	TPSA	29
71586806	Undefined_Atom_Stereo_Count	0
87074	TPSA	20.2
307	Mono_Isotopic_Weight	132.057514874
124328800	Total_Formal_Charge	0
7291	Exact_Mass	108.02450067
1390	TPSA	17.8
4289	Covalent_Unit_Count	1
3376	Molecular_Weight	494.6
12625	Rotatable_Bond_Count	1
47675	Tautomer_Count	1
36679	Hydrogen_Bond_Acceptor_Count	1
7263	Undefined_Atom_Stereo_Count	0
71228	Total_Formal_Charge	0
3823	Isotope_Atom_Count	0
444025	XLogP3	3.9
42153	XLogP3	2.7
149798	Total_Formal_Charge	0
25199890	Total_Formal_Charge	0
21941444	Structure_Complexity	96.4
11988	Total_Formal_Charge	0
117965	Exact_Mass	324.1968412
61059	Hydrogen_Bond_Donor_Count	2
10011877	Defined_Bond_Stereo_Count	0
38883	Defined_Bond_Stereo_Count	0
22643	Rotatable_Bond_Count	2
565903	Undefined_Bond_Stereo_Count	0
7265	Structure_Complexity	99.1
5307	Hydrogen_Bond_Donor_Count	3
138059757	Molecular_Weight	430.5
66374	Hydrogen_Bond_Donor_Count	0
4713	Tautomer_Count	5
12409173	Hydrogen_Bond_Acceptor_Count	1
53483390	Non-hydrogen_Atom_Count	37
22542	Rotatable_Bond_Count	12
103376402	Mono_Isotopic_Weight	115.063328530
153373905	Hydrogen_Bond_Acceptor_Count	1
72054	Undefined_Bond_Stereo_Count	0
13651872	Hydrogen_Bond_Acceptor_Count	2
2733336	Structure_Complexity	10.8
70314955	Molecular_Weight	112.09
192627	Mono_Isotopic_Weight	289.13140809
101136808	Undefined_Bond_Stereo_Count	0
91227950	XLogP3-AA	0.4
18622352	Rotatable_Bond_Count	1
42884	Structure_Complexity	433
60044069	Undefined_Bond_Stereo_Count	0
11227182	Covalent_Unit_Count	2
57473011	Hydrogen_Bond_Donor_Count	0
25111945	TPSA	65.7
549699	XLogP3-AA	0.9
133084	Hydrogen_Bond_Acceptor_Count	5
89669330	Structure_Complexity	382
46919879	Defined_Bond_Stereo_Count	0
69892	XLogP3-AA	2.2
30053	Hydrogen_Bond_Donor_Count	1
102239676	Undefined_Bond_Stereo_Count	0
6400264	Covalent_Unit_Count	1
13166	Mono_Isotopic_Weight	126.104465066
12701401	Mono_Isotopic_Weight	112.088815002
57515833	Isotope_Atom_Count	0
649	Hydrogen_Bond_Donor_Count	2
11569158	Mono_Isotopic_Weight	477.1567673
102334657	XLogP3-AA	4
7643	Hydrogen_Bond_Donor_Count	0
23158380	Exact_Mass	116.083729621
13136	Non-hydrogen_Atom_Count	29
9045	Hydrogen_Bond_Donor_Count	2
21496049	Defined_Atom_Stereo_Count	0
447277	Non-hydrogen_Atom_Count	29
9690122	Non-hydrogen_Atom_Count	16
46841787	Molecular_Weight	531.9
140291701	Covalent_Unit_Count	1
150309	Mono_Isotopic_Weight	303.162314293
5317	Hydrogen_Bond_Acceptor_Count	8
9090	Undefined_Atom_Stereo_Count	0
5067511	Rotatable_Bond_Count	1
11169170	TPSA	162
12555	Hydrogen_Bond_Acceptor_Count	3
5704083	Isotope_Atom_Count	0
7620	Undefined_Atom_Stereo_Count	0
3531736	Hydrogen_Bond_Acceptor_Count	4
398632	Rotatable_Bond_Count	2
129859073	Defined_Bond_Stereo_Count	0
1549521	Defined_Bond_Stereo_Count	1
2724277	Non-hydrogen_Atom_Count	14
7770	Defined_Atom_Stereo_Count	0
153903811	Structure_Complexity	32.9
49028	Structure_Complexity	294
102025582	Mono_Isotopic_Weight	342.11621151
11655595	Rotatable_Bond_Count	5
45711	Defined_Atom_Stereo_Count	0
3842125	Hydrogen_Bond_Donor_Count	2
82452	Exact_Mass	152.083729621
66773	Hydrogen_Bond_Donor_Count	1
188802	Hydrogen_Bond_Donor_Count	3
5400866	Non-hydrogen_Atom_Count	19
2723698	Defined_Bond_Stereo_Count	0
31217	Defined_Bond_Stereo_Count	0
46866319	Isotope_Atom_Count	0
7020642	Mono_Isotopic_Weight	262.13174244
31877	Undefined_Bond_Stereo_Count	1
23130211	Isotope_Atom_Count	0
60155097	Exact_Mass	448.17804118
9852201	Covalent_Unit_Count	1
13610389	Undefined_Bond_Stereo_Count	0
5363355	Mono_Isotopic_Weight	333.0548008
58460047	Isotope_Atom_Count	0
5288811	Total_Formal_Charge	0
12315	Defined_Atom_Stereo_Count	0
6080476	Defined_Bond_Stereo_Count	4
2588	Covalent_Unit_Count	1
53828439	Undefined_Atom_Stereo_Count	0
9866622	Undefined_Atom_Stereo_Count	5
443391	Exact_Mass	428.14601035
94396	Structure_Complexity	233
53321481	Covalent_Unit_Count	1
54064807	TPSA	17.1
566433	TPSA	26.3
89119	Rotatable_Bond_Count	3
5280451	Structure_Complexity	138
1491	Structure_Complexity	157
66935111	Exact_Mass	101.084063974
134826477	Molecular_Weight	765.5
153939	Total_Formal_Charge	0
13233	TPSA	75.9
10721	Hydrogen_Bond_Donor_Count	0
54175107	XLogP3-AA	1
2786	Non-hydrogen_Atom_Count	27
3034048	Hydrogen_Bond_Acceptor_Count	5
65706	XLogP3-AA	1.3
2763054	Total_Formal_Charge	0
76964745	Structure_Complexity	410
5323927	TPSA	25.7
68392349	Defined_Bond_Stereo_Count	0
1289	Undefined_Bond_Stereo_Count	0
76692	Non-hydrogen_Atom_Count	6
6446980	Rotatable_Bond_Count	1
233979	Covalent_Unit_Count	1
46936435	Undefined_Atom_Stereo_Count	0
33500	Undefined_Atom_Stereo_Count	0
9861	Exact_Mass	288.28284396
182362	Rotatable_Bond_Count	1
25202509	Non-hydrogen_Atom_Count	31
449462	Mono_Isotopic_Weight	179.07937252
711239	XLogP3-AA	3.2
96498	Covalent_Unit_Count	1
5281565	Defined_Atom_Stereo_Count	1
127054492	Defined_Bond_Stereo_Count	0
6326	Undefined_Atom_Stereo_Count	0
9030	Structure_Complexity	65.2
14505	Non-hydrogen_Atom_Count	8
441542	Mono_Isotopic_Weight	788.31632555
12513438	Undefined_Atom_Stereo_Count	0
59325	Non-hydrogen_Atom_Count	27
161729	Undefined_Bond_Stereo_Count	0
6602154	Structure_Complexity	457
89155	XLogP3-AA	2.7
705467	Exact_Mass	249.13649347
87468088	Defined_Atom_Stereo_Count	0
30487	Isotope_Atom_Count	0
442076	Undefined_Atom_Stereo_Count	1
20504	Total_Formal_Charge	0
124220089	XLogP3-AA	5.1
14642	Exact_Mass	250.15689456
10952	Covalent_Unit_Count	1
43838	Rotatable_Bond_Count	5
68595	Exact_Mass	933.56610018
87639	Structure_Complexity	292
151257062	Defined_Atom_Stereo_Count	0
139060478	Molecular_Weight	583.0
673970	TPSA	122
97289	TPSA	20.2
43366	Hydrogen_Bond_Acceptor_Count	2
549244	Molecular_Weight	110.11
21016055	TPSA	20.3
10061	Hydrogen_Bond_Acceptor_Count	4
24832091	Hydrogen_Bond_Acceptor_Count	11
446067	Defined_Atom_Stereo_Count	0
163285965	Isotope_Atom_Count	0
95941	Hydrogen_Bond_Donor_Count	1
4397	Defined_Bond_Stereo_Count	0
56675037	Non-hydrogen_Atom_Count	30
278580	Undefined_Atom_Stereo_Count	4
17604	Undefined_Atom_Stereo_Count	0
50990393	Exact_Mass	923.48784986
68940	Isotope_Atom_Count	0
261000	Tautomer_Count	13
56683653	Exact_Mass	546.2258500
9824345	TPSA	108
13838	Non-hydrogen_Atom_Count	9
135473834	Non-hydrogen_Atom_Count	33
84361	Defined_Atom_Stereo_Count	0
163090688	XLogP3-AA	2.1
54288820	Undefined_Atom_Stereo_Count	1
4253	Molecular_Weight	285.34
7294	Undefined_Atom_Stereo_Count	0
23253564	Hydrogen_Bond_Donor_Count	3
21021478	Hydrogen_Bond_Donor_Count	1
12304094	Isotope_Atom_Count	0
7086	Isotope_Atom_Count	0
2734227	Total_Formal_Charge	0
91414	Molecular_Weight	165.07
2724505	TPSA	63.3
5014	Hydrogen_Bond_Acceptor_Count	1
123467456	Mono_Isotopic_Weight	116.083729621
20729555	Exact_Mass	114.104465066
51051629	Rotatable_Bond_Count	4
639095	Non-hydrogen_Atom_Count	7
16132344	Defined_Atom_Stereo_Count	45
3086173	Mono_Isotopic_Weight	436.22631153
122672078	Molecular_Weight	112.17
3274	Isotope_Atom_Count	0
249	Total_Formal_Charge	1
10523409	Structure_Complexity	388
21253562	Molecular_Weight	96.09
4684505	Exact_Mass	338.08668395
123661139	Undefined_Atom_Stereo_Count	2
85824359	Non-hydrogen_Atom_Count	8
24906119	XLogP3-AA	2.8
54422686	Exact_Mass	103.063328530
138117	Rotatable_Bond_Count	5
25201603	TPSA	292
6316	Exact_Mass	260.0927701
150841	Rotatable_Bond_Count	2
21225236	Mono_Isotopic_Weight	99.032028402
165360154	Rotatable_Bond_Count	11
7808	Hydrogen_Bond_Donor_Count	1
10297008	Mono_Isotopic_Weight	440.12667431
348253	Rotatable_Bond_Count	2
4414	Hydrogen_Bond_Acceptor_Count	6
446094	Molecular_Weight	154.3
46231497	Hydrogen_Bond_Acceptor_Count	5
20541332	Non-hydrogen_Atom_Count	18
40172	Tautomer_Count	1
10451635	Rotatable_Bond_Count	1
194953	Hydrogen_Bond_Donor_Count	3
46214236	Defined_Bond_Stereo_Count	0
5953	Molecular_Weight	324.4
84221363	Mono_Isotopic_Weight	98.048012819
160439	Undefined_Atom_Stereo_Count	0
150748	Covalent_Unit_Count	1
121942	Molecular_Weight	356.32
31170	Undefined_Atom_Stereo_Count	0
527568	Defined_Bond_Stereo_Count	0
82241	Hydrogen_Bond_Donor_Count	0
52141942	Hydrogen_Bond_Acceptor_Count	1
13208114	Total_Formal_Charge	0
10341154	Undefined_Bond_Stereo_Count	0
16130199	Mono_Isotopic_Weight	4489.1866445
6426924	Exact_Mass	913.51875607
5569	Defined_Atom_Stereo_Count	0
9064	Rotatable_Bond_Count	1
12285863	Rotatable_Bond_Count	1
53806232	Non-hydrogen_Atom_Count	7
71072113	Defined_Atom_Stereo_Count	1
11416	Structure_Complexity	56.4
164167667	Undefined_Atom_Stereo_Count	2
54519	Structure_Complexity	317
556209	Non-hydrogen_Atom_Count	7
20034388	Molecular_Weight	89.14
17754054	Non-hydrogen_Atom_Count	13
10133071	Hydrogen_Bond_Acceptor_Count	6
136130	Molecular_Weight	131.05
76374506	Undefined_Bond_Stereo_Count	0
9297	Total_Formal_Charge	0
22640249	Defined_Bond_Stereo_Count	0
30209	Total_Formal_Charge	0
131664136	Rotatable_Bond_Count	36
89378	Rotatable_Bond_Count	1
12725	Isotope_Atom_Count	0
22315763	Covalent_Unit_Count	1
176171	Undefined_Atom_Stereo_Count	2
3382	Isotope_Atom_Count	0
6621	Structure_Complexity	306
135415867	XLogP3-AA	4.4
63045	Hydrogen_Bond_Acceptor_Count	7
96132	TPSA	67.5
8620	Isotope_Atom_Count	0
9855448	Rotatable_Bond_Count	0
23693089	Isotope_Atom_Count	0
37109	Mono_Isotopic_Weight	100.088815002
33558	Hydrogen_Bond_Donor_Count	0
53779803	Rotatable_Bond_Count	1
11948	Rotatable_Bond_Count	2
7614	Tautomer_Count	2
441285	Undefined_Atom_Stereo_Count	1
70922	Molecular_Weight	88.07
4386	Rotatable_Bond_Count	3
84614	Exact_Mass	269.10519334
84531	Exact_Mass	152.120115130
6398969	Hydrogen_Bond_Donor_Count	1
12875216	Non-hydrogen_Atom_Count	56
69503325	Hydrogen_Bond_Donor_Count	4
18368760	Exact_Mass	116.083729621
56832511	Mono_Isotopic_Weight	475.13996221
3048339	Tautomer_Count	3
141545	Isotope_Atom_Count	0
18198	Hydrogen_Bond_Acceptor_Count	2
5770	Covalent_Unit_Count	1
13104807	Non-hydrogen_Atom_Count	43
121494085	Undefined_Bond_Stereo_Count	0
12768628	Molecular_Weight	95.14
76216	Rotatable_Bond_Count	3
5340	Defined_Atom_Stereo_Count	0
78361	Undefined_Atom_Stereo_Count	0
1365	Mono_Isotopic_Weight	376.08414080
12260467	Exact_Mass	109.089149355
20695	TPSA	41.5
57750364	Non-hydrogen_Atom_Count	32
10986159	Defined_Atom_Stereo_Count	0
13915315	Defined_Atom_Stereo_Count	0
82	Tautomer_Count	1
589116	Hydrogen_Bond_Acceptor_Count	3
137151	Hydrogen_Bond_Acceptor_Count	1
12386	Hydrogen_Bond_Acceptor_Count	2
44565819	Hydrogen_Bond_Donor_Count	3
5790	Undefined_Bond_Stereo_Count	0
9819610	Undefined_Atom_Stereo_Count	0
4808	Defined_Bond_Stereo_Count	0
839611	Molecular_Weight	313.35
156839069	Isotope_Atom_Count	0
5324289	Molecular_Weight	311.4
3385	Total_Formal_Charge	0
76365	Exact_Mass	126.068079557
44560808	Mono_Isotopic_Weight	410.14126175
45073433	Non-hydrogen_Atom_Count	43
9974756	Undefined_Atom_Stereo_Count	0
3096300	Total_Formal_Charge	0
53436961	Structure_Complexity	103
84733	Total_Formal_Charge	0
118426	Hydrogen_Bond_Donor_Count	1
2528	Exact_Mass	627.7853
177976	Isotope_Atom_Count	0
285118	Undefined_Atom_Stereo_Count	0
94973	Undefined_Atom_Stereo_Count	0
4561	Hydrogen_Bond_Acceptor_Count	2
31416	TPSA	58.2
6000	TPSA	80.6
68316842	Isotope_Atom_Count	0
2032	Hydrogen_Bond_Acceptor_Count	3
15547703	Hydrogen_Bond_Acceptor_Count	6
124085867	Structure_Complexity	779
76302	XLogP3	4.9
1548968	Undefined_Bond_Stereo_Count	0
20011	Structure_Complexity	224
11815322	Defined_Bond_Stereo_Count	0
9133	Mono_Isotopic_Weight	203.073499291
9802673	Hydrogen_Bond_Donor_Count	6
10430619	Exact_Mass	392.19990218
150718	Exact_Mass	292.121177757
71782	Total_Formal_Charge	0
11617559	Undefined_Atom_Stereo_Count	0
76967371	TPSA	58.2
19803703	Covalent_Unit_Count	1
129856110	Structure_Complexity	665
7632	Non-hydrogen_Atom_Count	12
56682220	Hydrogen_Bond_Acceptor_Count	5
5744890	Defined_Atom_Stereo_Count	0
78538	Hydrogen_Bond_Acceptor_Count	4
5459910	Structure_Complexity	547
17994152	Molecular_Weight	62.07
122130338	Total_Formal_Charge	0
23468439	Hydrogen_Bond_Donor_Count	0
398729	TPSA	50.6
123963	Mono_Isotopic_Weight	204.089877630
568334	Hydrogen_Bond_Acceptor_Count	2
961335	Exact_Mass	197.121592296
28763	Tautomer_Count	2
126686768	Hydrogen_Bond_Acceptor_Count	2
9469	Isotope_Atom_Count	0
2565	Hydrogen_Bond_Acceptor_Count	5
70281073	Total_Formal_Charge	0
12769779	TPSA	12
5365910	Tautomer_Count	1
17996772	Covalent_Unit_Count	1
76883	XLogP3-AA	3
1980	Total_Formal_Charge	0
71672	Covalent_Unit_Count	2
11643846	Exact_Mass	1201.84136802
55284046	Hydrogen_Bond_Acceptor_Count	2
147610634	TPSA	26
101454647	Non-hydrogen_Atom_Count	26
71196	Undefined_Atom_Stereo_Count	0
26295	Structure_Complexity	175
190818	Molecular_Weight	496.4
68296308	Defined_Bond_Stereo_Count	0
3647	Undefined_Bond_Stereo_Count	0
11643846	Hydrogen_Bond_Donor_Count	5
91735	TPSA	51.2
30815	Undefined_Bond_Stereo_Count	0
20739	XLogP3	2.6
1696	Exact_Mass	202.08278087
18952320	Total_Formal_Charge	0
134593	Non-hydrogen_Atom_Count	8
441404	Molecular_Weight	412.6
5376733	Total_Formal_Charge	0
54582823	Undefined_Bond_Stereo_Count	0
74245	Covalent_Unit_Count	1
91097771	Molecular_Weight	1202.6
78557	Covalent_Unit_Count	1
24715	Isotope_Atom_Count	0
260496	Exact_Mass	113.084063974
12581088	Hydrogen_Bond_Donor_Count	0
16759173	Defined_Bond_Stereo_Count	0
5946	Tautomer_Count	1
6815	Molecular_Weight	382.6
11599	Hydrogen_Bond_Donor_Count	0
5363095	Undefined_Atom_Stereo_Count	0
6918155	Covalent_Unit_Count	1
9862634	Mono_Isotopic_Weight	221.120449483
27435	Rotatable_Bond_Count	3
15940949	Molecular_Weight	495.6
60196351	Structure_Complexity	340
9866696	Rotatable_Bond_Count	3
16154490	Undefined_Bond_Stereo_Count	0
99858	Exact_Mass	264.11100700
20848883	Molecular_Weight	562.1
10019237	Rotatable_Bond_Count	8
409	Non-hydrogen_Atom_Count	13
185588	Undefined_Atom_Stereo_Count	0
12275548	Isotope_Atom_Count	0
99816	Defined_Atom_Stereo_Count	0
54687420	Defined_Atom_Stereo_Count	0
656506	Undefined_Bond_Stereo_Count	1
16126651	Mono_Isotopic_Weight	440.19607403
73799602	Non-hydrogen_Atom_Count	7
62118	Structure_Complexity	59.5
24846132	Isotope_Atom_Count	0
328397	Undefined_Bond_Stereo_Count	0
11676981	Molecular_Weight	461.4
10628031	Molecular_Weight	650.7
10130524	Covalent_Unit_Count	1
503737	Tautomer_Count	9
14985552	Exact_Mass	107.073499291
12241083	Molecular_Weight	299.23
40521	Mono_Isotopic_Weight	335.0724492
4641	Non-hydrogen_Atom_Count	24
142809	Defined_Atom_Stereo_Count	0
44477	Tautomer_Count	1
54682938	Covalent_Unit_Count	1
20039106	Non-hydrogen_Atom_Count	7
87215	Molecular_Weight	400.5
60285	Undefined_Atom_Stereo_Count	0
159871	Undefined_Atom_Stereo_Count	1
799	Hydrogen_Bond_Acceptor_Count	6
834999	Molecular_Weight	285.23
16097	Exact_Mass	181.03750770
69315	Exact_Mass	290.130679813
32230	Hydrogen_Bond_Acceptor_Count	5
6490	Isotope_Atom_Count	0
11017510	Covalent_Unit_Count	1
5488186	Hydrogen_Bond_Acceptor_Count	4
489236	Undefined_Atom_Stereo_Count	1
42955	XLogP3	3.7
11100989	Isotope_Atom_Count	0
564980	XLogP3-AA	0.7
122130	Tautomer_Count	12
21903	Undefined_Bond_Stereo_Count	0
129980649	Hydrogen_Bond_Donor_Count	1
59736263	Hydrogen_Bond_Acceptor_Count	2
85989631	Non-hydrogen_Atom_Count	7
712078	Total_Formal_Charge	0
5372131	Defined_Atom_Stereo_Count	0
5462222	Covalent_Unit_Count	1
676166	Undefined_Bond_Stereo_Count	0
91593552	Structure_Complexity	70.8
95428	Undefined_Atom_Stereo_Count	1
35803	Defined_Atom_Stereo_Count	0
940892	Molecular_Weight	272.26
6040503	TPSA	35.5
21864427	Hydrogen_Bond_Donor_Count	21
574613	Molecular_Weight	113.09
61670	Defined_Atom_Stereo_Count	0
105746	Total_Formal_Charge	0
774	Rotatable_Bond_Count	2
5365773	Isotope_Atom_Count	0
90943885	TPSA	0
3341	TPSA	72.7
137347968	Isotope_Atom_Count	0
9547261	Defined_Bond_Stereo_Count	3
67638	Undefined_Atom_Stereo_Count	0
74096	Isotope_Atom_Count	0
425440	Non-hydrogen_Atom_Count	7
8351	Covalent_Unit_Count	1
3085218	Total_Formal_Charge	0
18407	Isotope_Atom_Count	0
17847	Defined_Atom_Stereo_Count	0
18955656	Undefined_Atom_Stereo_Count	0
520942	TPSA	9.2
13474789	Defined_Atom_Stereo_Count	0
24678	Structure_Complexity	297
9859093	Molecular_Weight	204.31
21355780	Covalent_Unit_Count	1
34769	Total_Formal_Charge	0
59144	Total_Formal_Charge	0
13196775	Undefined_Bond_Stereo_Count	0
56840960	Hydrogen_Bond_Donor_Count	2
54581775	Molecular_Weight	372.3
9843744	Hydrogen_Bond_Acceptor_Count	5
118253852	Rotatable_Bond_Count	5
155294764	Rotatable_Bond_Count	14
625469	Defined_Bond_Stereo_Count	0
20680	Exact_Mass	130.110613074
25114553	Non-hydrogen_Atom_Count	36
89737	Undefined_Bond_Stereo_Count	0
77531	TPSA	25.8
6597	Hydrogen_Bond_Donor_Count	1
44154280	Defined_Bond_Stereo_Count	0
3911	Covalent_Unit_Count	1
67512	Defined_Atom_Stereo_Count	0
84434	Total_Formal_Charge	0
73313	Mono_Isotopic_Weight	184.04840674
246916	Non-hydrogen_Atom_Count	7
87035	Mono_Isotopic_Weight	192.126263138
31224	Hydrogen_Bond_Donor_Count	0
65871	TPSA	113
9060	TPSA	79.1
332226	Undefined_Atom_Stereo_Count	0
18424867	Mono_Isotopic_Weight	101.022526347
4409396	Hydrogen_Bond_Acceptor_Count	10
7522	Exact_Mass	104.037448136
75195	Covalent_Unit_Count	1
19935257	Hydrogen_Bond_Donor_Count	2
55223	Defined_Atom_Stereo_Count	0
13620760	Undefined_Atom_Stereo_Count	1
6917663	Rotatable_Bond_Count	3
23670359	Hydrogen_Bond_Acceptor_Count	8
10996972	Isotope_Atom_Count	0
6918188	Exact_Mass	733.15140
535634	Structure_Complexity	83.4
22873	Defined_Atom_Stereo_Count	0
69722	Molecular_Weight	192.19
10175126	Non-hydrogen_Atom_Count	41
53778	Hydrogen_Bond_Acceptor_Count	4
9849616	Hydrogen_Bond_Acceptor_Count	3
4367	Total_Formal_Charge	0
122173799	Exact_Mass	1095.46702979
10809678	Isotope_Atom_Count	0
140809	Structure_Complexity	54.9
79783	Structure_Complexity	54.3
14690973	Tautomer_Count	1
140409	Defined_Atom_Stereo_Count	0
23678	Structure_Complexity	146
71439018	Isotope_Atom_Count	0
93205	Covalent_Unit_Count	1
71698	XLogP3	2.3
122073	Hydrogen_Bond_Acceptor_Count	9
71304	Isotope_Atom_Count	0
123304022	Molecular_Weight	102.13
4659570	Total_Formal_Charge	1
2838	Mono_Isotopic_Weight	607.37336968
71449859	TPSA	114
56663314	Hydrogen_Bond_Donor_Count	1
99143	Total_Formal_Charge	0
6186	Undefined_Bond_Stereo_Count	0
54688683	Undefined_Atom_Stereo_Count	0
13551	Undefined_Bond_Stereo_Count	0
25209	Undefined_Bond_Stereo_Count	1
58657603	XLogP3-AA	3.9
80603	Molecular_Weight	201.69
213039	Hydrogen_Bond_Donor_Count	3
7159	Mono_Isotopic_Weight	235.95366166
6347	Hydrogen_Bond_Acceptor_Count	2
9423	Total_Formal_Charge	0
141379122	Total_Formal_Charge	0
58387740	Covalent_Unit_Count	1
3086319	XLogP3-AA	2.6
78597	Defined_Atom_Stereo_Count	0
5284572	Isotope_Atom_Count	0
31448	Rotatable_Bond_Count	1
141869079	Hydrogen_Bond_Donor_Count	2
78035	Non-hydrogen_Atom_Count	6
59774	Defined_Bond_Stereo_Count	0
11973	Isotope_Atom_Count	0
13275542	XLogP3-AA	0.6
6469	Molecular_Weight	261.36
7644	Total_Formal_Charge	0
52141942	Isotope_Atom_Count	0
4984721	Defined_Atom_Stereo_Count	0
117926	Tautomer_Count	1
90864	Non-hydrogen_Atom_Count	20
3853591	Mono_Isotopic_Weight	191.01917756
5288679	TPSA	58.6
62529	Defined_Atom_Stereo_Count	0
10866836	Total_Formal_Charge	0
4687937	Rotatable_Bond_Count	1
3000926	Undefined_Bond_Stereo_Count	0
5288703	Non-hydrogen_Atom_Count	25
10066	Molecular_Weight	364.9
71825	Defined_Bond_Stereo_Count	0
39546	Isotope_Atom_Count	0
3025721	Exact_Mass	222.079312947
15406	Hydrogen_Bond_Donor_Count	1
8556	Exact_Mass	334.00074133
75633	TPSA	29.5
18725	XLogP3	10.4
68653619	Non-hydrogen_Atom_Count	17
25210	Hydrogen_Bond_Donor_Count	2
192826	Isotope_Atom_Count	0
9576814	Exact_Mass	228.183778013
1053	Hydrogen_Bond_Acceptor_Count	7
726	Hydrogen_Bond_Donor_Count	9
45116609	Undefined_Bond_Stereo_Count	0
18921450	Total_Formal_Charge	0
5062	Undefined_Atom_Stereo_Count	5
5738	Defined_Bond_Stereo_Count	0
6909	Defined_Bond_Stereo_Count	0
13155261	Structure_Complexity	80.2
37271	Mono_Isotopic_Weight	237.10010796
91463	Molecular_Weight	170.25
78130	TPSA	20.2
13736253	Defined_Atom_Stereo_Count	0
51622	Molecular_Weight	268.27
155424	Mono_Isotopic_Weight	154.03784206
144686955	Structure_Complexity	382
14020410	Total_Formal_Charge	0
269395	Covalent_Unit_Count	1
103023	Structure_Complexity	128
59145	Defined_Atom_Stereo_Count	0
8216	Hydrogen_Bond_Acceptor_Count	2
59983745	TPSA	29.1
117569443	Rotatable_Bond_Count	3
542446	Rotatable_Bond_Count	23
125183302	Undefined_Atom_Stereo_Count	0
100524	Hydrogen_Bond_Acceptor_Count	6
87905888	Covalent_Unit_Count	1
17930355	Isotope_Atom_Count	0
7716	Structure_Complexity	133
123954185	TPSA	3
53846429	Hydrogen_Bond_Donor_Count	3
148191	Isotope_Atom_Count	0
11804701	Undefined_Atom_Stereo_Count	0
56955286	TPSA	58.7
61007	Molecular_Weight	178.23
91429	Rotatable_Bond_Count	4
4554	Mono_Isotopic_Weight	317.93445
23677974	Isotope_Atom_Count	0
21872570	Undefined_Bond_Stereo_Count	0
9886	Molecular_Weight	144.9641810
11091168	Defined_Bond_Stereo_Count	0
19838382	Defined_Atom_Stereo_Count	0
4797519	Undefined_Atom_Stereo_Count	1
2723755	Hydrogen_Bond_Donor_Count	0
10855407	TPSA	20.3
88344183	Rotatable_Bond_Count	10
12747521	Exact_Mass	107.048347172
90355769	Undefined_Bond_Stereo_Count	0
3151	Defined_Atom_Stereo_Count	0
9793714	Defined_Atom_Stereo_Count	0
53326156	Total_Formal_Charge	0
20760783	Undefined_Bond_Stereo_Count	0
20722796	Undefined_Atom_Stereo_Count	0
6206	Total_Formal_Charge	0
11409	Undefined_Atom_Stereo_Count	0
92536013	Molecular_Weight	370.5
54726514	Undefined_Atom_Stereo_Count	0
8401	Defined_Bond_Stereo_Count	0
6562	Isotope_Atom_Count	0
7019016	Defined_Atom_Stereo_Count	1
54726192	Non-hydrogen_Atom_Count	40
16113206	Hydrogen_Bond_Donor_Count	1
750190	Defined_Bond_Stereo_Count	0
11409972	Mono_Isotopic_Weight	529.24130771
65109	Isotope_Atom_Count	0
73353577	Exact_Mass	358.0655100
6438877	Structure_Complexity	520
71453747	Undefined_Atom_Stereo_Count	0
56634286	Rotatable_Bond_Count	3
16139605	Defined_Atom_Stereo_Count	38
23633604	Defined_Bond_Stereo_Count	0
9568069	Undefined_Bond_Stereo_Count	0
5486204	Hydrogen_Bond_Donor_Count	0
12927947	Undefined_Bond_Stereo_Count	0
121904	Defined_Bond_Stereo_Count	0
61303	Undefined_Atom_Stereo_Count	0
21702812	Hydrogen_Bond_Acceptor_Count	1
67520	Exact_Mass	81.032697108
101658	Hydrogen_Bond_Acceptor_Count	6
13900354	Hydrogen_Bond_Acceptor_Count	1
136378	Mono_Isotopic_Weight	68.062600255
5206	Undefined_Atom_Stereo_Count	0
136346	Mono_Isotopic_Weight	166.099379685
56840877	Non-hydrogen_Atom_Count	13
149519	Total_Formal_Charge	0
68414798	Molecular_Weight	387.4
320263	Defined_Atom_Stereo_Count	0
146935695	Hydrogen_Bond_Donor_Count	0
4011971	Hydrogen_Bond_Donor_Count	1
130000966	Rotatable_Bond_Count	1
8793	Structure_Complexity	171
87367	Hydrogen_Bond_Acceptor_Count	5
104904	Non-hydrogen_Atom_Count	14
82418987	Molecular_Weight	111.14
14057	Undefined_Atom_Stereo_Count	0
11539725	Covalent_Unit_Count	1
57191557	Hydrogen_Bond_Acceptor_Count	2
3762	Undefined_Bond_Stereo_Count	0
59392023	Isotope_Atom_Count	0
5962	Mono_Isotopic_Weight	146.105527694
46470	Exact_Mass	325.1808568
59296114	Defined_Atom_Stereo_Count	1
8395	Exact_Mass	324.09977361
3082393	Rotatable_Bond_Count	10
153648135	Undefined_Atom_Stereo_Count	1
706	Mono_Isotopic_Weight	382.13102722
39268	Structure_Complexity	436
5377793	Mono_Isotopic_Weight	268.121177757
3591	Undefined_Bond_Stereo_Count	3
40475	Molecular_Weight	395.3
517922	Isotope_Atom_Count	0
4843	Non-hydrogen_Atom_Count	10
129864959	Undefined_Atom_Stereo_Count	1
118984465	Molecular_Weight	749.9
15558051	Undefined_Atom_Stereo_Count	0
2816105	Undefined_Atom_Stereo_Count	0
90803	Isotope_Atom_Count	0
9963430	Defined_Bond_Stereo_Count	0
69938	Tautomer_Count	1
2723694	XLogP3-AA	4.2
1549778	Structure_Complexity	230
73648	Structure_Complexity	565
44246724	Total_Formal_Charge	0
139356	Isotope_Atom_Count	0
62870	Undefined_Bond_Stereo_Count	0
71225	Undefined_Bond_Stereo_Count	0
53442911	Total_Formal_Charge	0
8222	Molecular_Weight	282.5
61141	Undefined_Atom_Stereo_Count	0
21547708	Defined_Bond_Stereo_Count	0
135401234	Hydrogen_Bond_Acceptor_Count	8
523048	Hydrogen_Bond_Donor_Count	0
11181836	Hydrogen_Bond_Donor_Count	0
4156	Hydrogen_Bond_Acceptor_Count	3
84141	Exact_Mass	285.018806
94860	Undefined_Atom_Stereo_Count	0
54278701	XLogP3-AA	2.5
33929	Defined_Atom_Stereo_Count	0
176015	Total_Formal_Charge	0
4261	XLogP3-AA	2
74663	Defined_Bond_Stereo_Count	0
86595083	Isotope_Atom_Count	0
649217	XLogP3-AA	5
11256720	Covalent_Unit_Count	1
543047	Hydrogen_Bond_Donor_Count	1
131737226	Hydrogen_Bond_Acceptor_Count	6
52039	Rotatable_Bond_Count	2
11843834	Undefined_Atom_Stereo_Count	0
8417	Defined_Atom_Stereo_Count	0
27581	Covalent_Unit_Count	1
89578803	Rotatable_Bond_Count	0
81477	Hydrogen_Bond_Donor_Count	2
40428945	XLogP3	0.1
70447162	Structure_Complexity	90.4
51553	Defined_Bond_Stereo_Count	0
58460047	Structure_Complexity	860
13055556	Isotope_Atom_Count	0
15945857	Undefined_Bond_Stereo_Count	0
8593	Defined_Bond_Stereo_Count	0
17074527	XLogP3-AA	0
11767	Undefined_Atom_Stereo_Count	0
3000	Hydrogen_Bond_Donor_Count	2
69957602	Exact_Mass	113.084063974
138125	Hydrogen_Bond_Donor_Count	0
66612869	Structure_Complexity	90.4
23599753	Non-hydrogen_Atom_Count	7
55284589	Undefined_Bond_Stereo_Count	0
11251988	Isotope_Atom_Count	0
8752	Isotope_Atom_Count	0
16700308	Undefined_Atom_Stereo_Count	0
45140016	Hydrogen_Bond_Acceptor_Count	8
70163	Defined_Bond_Stereo_Count	0
9813119	Tautomer_Count	1
75318	Hydrogen_Bond_Donor_Count	1
44264589	Covalent_Unit_Count	1
15347676	Molecular_Weight	111.15
202877	Isotope_Atom_Count	0
544629	Exact_Mass	99.068413911
10131132	Structure_Complexity	222
1712	Covalent_Unit_Count	1
7955	Total_Formal_Charge	0
122164129	Non-hydrogen_Atom_Count	8
85867	TPSA	90.8
5257090	Non-hydrogen_Atom_Count	20
29179	Structure_Complexity	50.3
49864533	Rotatable_Bond_Count	6
21498	Undefined_Atom_Stereo_Count	0
5708528	Hydrogen_Bond_Donor_Count	0
70695634	Tautomer_Count	1
22725651	Exact_Mass	99.032028402
46132	Isotope_Atom_Count	0
36812	Total_Formal_Charge	0
123070	Exact_Mass	20.0564071114
71360804	XLogP3	2.8
16487	Hydrogen_Bond_Donor_Count	4
25077533	Hydrogen_Bond_Acceptor_Count	16
7792	Mono_Isotopic_Weight	158.167065321
159889	Structure_Complexity	315
59473233	Defined_Bond_Stereo_Count	0
36294	Total_Formal_Charge	0
92822	Hydrogen_Bond_Acceptor_Count	3
7844	Hydrogen_Bond_Acceptor_Count	0
12491241	Defined_Atom_Stereo_Count	0
448133	Total_Formal_Charge	1
2209	Molecular_Weight	162.3
57820	Tautomer_Count	3
75564	TPSA	43.1
131756	Covalent_Unit_Count	2
59040622	Exact_Mass	180.06338810
101574147	Undefined_Atom_Stereo_Count	0
13530219	Defined_Bond_Stereo_Count	0
122239	Defined_Bond_Stereo_Count	0
23082568	Molecular_Weight	259.17
135398748	Undefined_Bond_Stereo_Count	0
165704207	Covalent_Unit_Count	1
23892	TPSA	104
449355	Defined_Bond_Stereo_Count	0
21579161	Isotope_Atom_Count	0
49868142	Structure_Complexity	12
816	Covalent_Unit_Count	1
54682930	Molecular_Weight	162.14
16219944	Hydrogen_Bond_Donor_Count	5
104276777	Structure_Complexity	120
10557	Non-hydrogen_Atom_Count	5
45484175	Hydrogen_Bond_Donor_Count	3
12021	Undefined_Atom_Stereo_Count	0
14546681	Undefined_Bond_Stereo_Count	0
23724526	Mono_Isotopic_Weight	383.10961
92758	Isotope_Atom_Count	0
108381	Hydrogen_Bond_Acceptor_Count	8
39421	Undefined_Atom_Stereo_Count	10
135742	Undefined_Bond_Stereo_Count	0
58840878	Isotope_Atom_Count	0
472	Hydrogen_Bond_Donor_Count	2
49652	Non-hydrogen_Atom_Count	26
13559281	XLogP3-AA	2.9
8219	Total_Formal_Charge	0
141779543	Mono_Isotopic_Weight	98.073164938
129716995	XLogP3-AA	8.7
64617	Isotope_Atom_Count	0
317061	Exact_Mass	97.052763847
135430945	Total_Formal_Charge	0
11949597	XLogP3-AA	1.5
8779	Covalent_Unit_Count	6
15325996	Exact_Mass	95.037113783
23235	XLogP3	4.9
12498	Molecular_Weight	290.19
14454	Hydrogen_Bond_Acceptor_Count	1
5497105	Covalent_Unit_Count	1
91805671	TPSA	9.2
66086	TPSA	0
10219402	Mono_Isotopic_Weight	112.052429494
71584053	Structure_Complexity	576
164075219	Hydrogen_Bond_Acceptor_Count	0
10953	Mono_Isotopic_Weight	100.052429494
80790	Non-hydrogen_Atom_Count	12
12794196	Covalent_Unit_Count	1
54025583	Hydrogen_Bond_Acceptor_Count	2
44144429	Mono_Isotopic_Weight	559.12774
6451477	TPSA	9.2
7597	Isotope_Atom_Count	0
391139	Undefined_Bond_Stereo_Count	0
141959525	Hydrogen_Bond_Acceptor_Count	1
9180	Hydrogen_Bond_Donor_Count	0
13619723	Hydrogen_Bond_Donor_Count	1
14839575	Non-hydrogen_Atom_Count	17
148676572	Exact_Mass	108.093900383
13000143	XLogP3	2.1
11029769	Hydrogen_Bond_Acceptor_Count	1
24764418	Molecular_Weight	609.5
91899080	XLogP3-AA	2.2
11786594	Mono_Isotopic_Weight	583.23522170
130443213	Undefined_Atom_Stereo_Count	0
44560703	Hydrogen_Bond_Acceptor_Count	4
4345	Total_Formal_Charge	0
23703990	Undefined_Bond_Stereo_Count	0
667498	XLogP3	0.7
12245594	Total_Formal_Charge	0
3001322	Hydrogen_Bond_Donor_Count	3
50009	Molecular_Weight	334.15
5281888	Structure_Complexity	693
54024247	Total_Formal_Charge	0
10076625	XLogP3-AA	4.3
10220256	Hydrogen_Bond_Acceptor_Count	3
168971	Hydrogen_Bond_Acceptor_Count	16
13046622	Hydrogen_Bond_Acceptor_Count	1
132471895	Covalent_Unit_Count	1
90714454	Exact_Mass	116.083729621
61922	Non-hydrogen_Atom_Count	7
24936995	Structure_Complexity	175
14464	Hydrogen_Bond_Donor_Count	4
10569	Undefined_Atom_Stereo_Count	0
429095	Undefined_Atom_Stereo_Count	0
13117013	Defined_Bond_Stereo_Count	0
33728341	Isotope_Atom_Count	0
4205687	Non-hydrogen_Atom_Count	8
4219136	Total_Formal_Charge	0
44456889	Mono_Isotopic_Weight	271.04807239
16230	Defined_Atom_Stereo_Count	0
9984	Defined_Atom_Stereo_Count	0
78960	Structure_Complexity	103
446201	Molecular_Weight	677.8
35911	Covalent_Unit_Count	1
2733	XLogP3	1.8
21585056	Undefined_Bond_Stereo_Count	0
622435	Defined_Bond_Stereo_Count	0
71541096	Isotope_Atom_Count	0
90469695	Isotope_Atom_Count	0
11708045	Defined_Bond_Stereo_Count	0
76223467	Non-hydrogen_Atom_Count	6
5741	Mono_Isotopic_Weight	415.1914215
70686822	Covalent_Unit_Count	1
23565353	Isotope_Atom_Count	0
44442027	Total_Formal_Charge	0
54522	XLogP3	3.1
129652530	Hydrogen_Bond_Acceptor_Count	4
10221470	Total_Formal_Charge	0
442113	Undefined_Atom_Stereo_Count	0
22676885	Hydrogen_Bond_Acceptor_Count	2
57328385	Isotope_Atom_Count	0
70681602	Isotope_Atom_Count	0
91667835	Molecular_Weight	415.6
14283	Hydrogen_Bond_Acceptor_Count	1
4793	Hydrogen_Bond_Acceptor_Count	6
33094	Covalent_Unit_Count	1
57370084	Rotatable_Bond_Count	4
24490	Tautomer_Count	1
11519741	Rotatable_Bond_Count	10
88955311	Hydrogen_Bond_Acceptor_Count	2
524655	Total_Formal_Charge	0
6433272	Undefined_Bond_Stereo_Count	0
20084	Tautomer_Count	2
90657410	Covalent_Unit_Count	1
6539017	Total_Formal_Charge	0
71310692	Covalent_Unit_Count	1
41438	Non-hydrogen_Atom_Count	23
3874	Defined_Atom_Stereo_Count	0
1358	Mono_Isotopic_Weight	687.39556167
962001	Defined_Bond_Stereo_Count	0
138122	Rotatable_Bond_Count	0
140979362	Non-hydrogen_Atom_Count	7
10018576	Defined_Atom_Stereo_Count	0
21608018	Total_Formal_Charge	0
141028526	Isotope_Atom_Count	0
139086367	Mono_Isotopic_Weight	392.09022504
12385252	Isotope_Atom_Count	0
45116616	TPSA	46.2
7169	Non-hydrogen_Atom_Count	15
87504	Exact_Mass	677.49955525
360	Total_Formal_Charge	0
11779786	Molecular_Weight	304.29
69272932	Rotatable_Bond_Count	8
12383043	Undefined_Atom_Stereo_Count	0
23630065	Undefined_Atom_Stereo_Count	0
57394836	Covalent_Unit_Count	1
873	Hydrogen_Bond_Donor_Count	2
102452877	Exact_Mass	106.078250319
24020	Undefined_Bond_Stereo_Count	0
637146	Rotatable_Bond_Count	1
1548	Hydrogen_Bond_Donor_Count	3
66624283	Undefined_Atom_Stereo_Count	0
93303	Defined_Bond_Stereo_Count	0
18381089	Undefined_Atom_Stereo_Count	0
5374527	XLogP3-AA	3.5
638552	TPSA	33
9870652	Hydrogen_Bond_Acceptor_Count	6
73662	Hydrogen_Bond_Acceptor_Count	9
93365	Undefined_Atom_Stereo_Count	1
10796722	Molecular_Weight	114.19
44097	Covalent_Unit_Count	1
52230	Molecular_Weight	290.31
13474789	Defined_Bond_Stereo_Count	0
5359464	Exact_Mass	204.97443
18087	Rotatable_Bond_Count	0
74062	Mono_Isotopic_Weight	255.98876
6437877	Defined_Bond_Stereo_Count	2
69932654	Structure_Complexity	76.8
60714	Defined_Atom_Stereo_Count	0
15325996	Hydrogen_Bond_Donor_Count	1
57402652	Undefined_Atom_Stereo_Count	0
8594	Molecular_Weight	291.3
56637807	Rotatable_Bond_Count	0
13771069	Defined_Atom_Stereo_Count	0
40466858	Molecular_Weight	348.4
16129682	Undefined_Atom_Stereo_Count	34
12303783	TPSA	69.9
11702	Hydrogen_Bond_Donor_Count	1
10417847	Rotatable_Bond_Count	44
9939594	Defined_Atom_Stereo_Count	5
28144	Total_Formal_Charge	0
20055083	Defined_Bond_Stereo_Count	3
10224595	Defined_Bond_Stereo_Count	0
16665100	Exact_Mass	461.23145648
54492709	Isotope_Atom_Count	0
86764	Hydrogen_Bond_Acceptor_Count	4
91770	Defined_Bond_Stereo_Count	0
315341	Total_Formal_Charge	0
46231499	TPSA	97.4
22002061	Non-hydrogen_Atom_Count	8
54360	Hydrogen_Bond_Acceptor_Count	3
286157	Total_Formal_Charge	0
19956	Defined_Bond_Stereo_Count	0
637084	Total_Formal_Charge	0
12276020	Structure_Complexity	40.8
101992406	Molecular_Weight	111.07
2006	Non-hydrogen_Atom_Count	17
2227	Defined_Atom_Stereo_Count	0
13223	Covalent_Unit_Count	1
11831043	Defined_Atom_Stereo_Count	5
21365956	Molecular_Weight	281.31
7777	Covalent_Unit_Count	1
71679077	Undefined_Bond_Stereo_Count	0
2734680	Hydrogen_Bond_Donor_Count	0
16078	Non-hydrogen_Atom_Count	23
38282	Defined_Bond_Stereo_Count	0
5289158	Covalent_Unit_Count	1
12936730	Isotope_Atom_Count	0
14682	TPSA	0
764764	Hydrogen_Bond_Donor_Count	3
129508	Non-hydrogen_Atom_Count	26
212	Undefined_Atom_Stereo_Count	4
6031	Undefined_Bond_Stereo_Count	0
49849621	Defined_Bond_Stereo_Count	1
71457955	Covalent_Unit_Count	1
136171075	Defined_Atom_Stereo_Count	4
184830	Molecular_Weight	114.14
28563239	Rotatable_Bond_Count	3
130124973	Isotope_Atom_Count	0
66638	Molecular_Weight	254.26
8566	Exact_Mass	808.8803
23377620	Isotope_Atom_Count	0
3567443	Structure_Complexity	305
60196334	Undefined_Bond_Stereo_Count	0
439791	Undefined_Bond_Stereo_Count	0
14200531	Mono_Isotopic_Weight	145.98600716
21718901	Defined_Bond_Stereo_Count	0
10066275	XLogP3-AA	3.2
136502	Non-hydrogen_Atom_Count	7
444237	Structure_Complexity	2230
18314506	Molecular_Weight	97.07
16638	Defined_Atom_Stereo_Count	0
435360	Hydrogen_Bond_Acceptor_Count	7
5462951	XLogP3-AA	2.9
15601	Hydrogen_Bond_Acceptor_Count	4
7315	Isotope_Atom_Count	0
18617909	Undefined_Bond_Stereo_Count	0
129654248	TPSA	15.4
49865920	TPSA	55.6
439263	Molecular_Weight	156.26
69690	Isotope_Atom_Count	0
22408669	Isotope_Atom_Count	0
2370	Molecular_Weight	161.22
564751	Isotope_Atom_Count	0
365673	Mono_Isotopic_Weight	438.2186393
3052776	Exact_Mass	171.104799419
50925404	Structure_Complexity	685
94021	Total_Formal_Charge	0
87032	Non-hydrogen_Atom_Count	14
54006055	Undefined_Atom_Stereo_Count	0
71453559	Undefined_Atom_Stereo_Count	0
5287705	Defined_Atom_Stereo_Count	0
23090352	Total_Formal_Charge	0
87635503	Non-hydrogen_Atom_Count	7
13285795	Total_Formal_Charge	0
48289	Isotope_Atom_Count	0
25182616	Defined_Bond_Stereo_Count	0
10347501	Undefined_Atom_Stereo_Count	1
13132266	Defined_Bond_Stereo_Count	0
13611196	Molecular_Weight	108.18
602261	Rotatable_Bond_Count	5
13480954	Rotatable_Bond_Count	2
5282198	Molecular_Weight	266.4
3086618	Rotatable_Bond_Count	7
31898	Structure_Complexity	378
40784491	Undefined_Atom_Stereo_Count	0
15041624	Total_Formal_Charge	0
1550823	Undefined_Atom_Stereo_Count	0
58181522	TPSA	49.3
68952	Rotatable_Bond_Count	5
129734884	Structure_Complexity	736
88957	Total_Formal_Charge	0
3597	Total_Formal_Charge	0
87820	Structure_Complexity	206
26964	TPSA	148
20054868	TPSA	380
118856278	Structure_Complexity	749
112412	Defined_Atom_Stereo_Count	0
153448834	Covalent_Unit_Count	1
9903930	Hydrogen_Bond_Acceptor_Count	4
64992731	TPSA	52.9
3797	Hydrogen_Bond_Donor_Count	0
138440	XLogP3-AA	0.8
70465919	Rotatable_Bond_Count	0
8373	Undefined_Bond_Stereo_Count	0
15914	Rotatable_Bond_Count	1
62705690	Molecular_Weight	443.4
55285315	Defined_Bond_Stereo_Count	0
20067321	TPSA	28.7
148139	Defined_Atom_Stereo_Count	0
5293	Defined_Atom_Stereo_Count	0
18597	Exact_Mass	150.104465066
21867154	Total_Formal_Charge	0
32681	Defined_Atom_Stereo_Count	6
894327	Mono_Isotopic_Weight	289.121512110
13113	Defined_Bond_Stereo_Count	0
19108211	Hydrogen_Bond_Donor_Count	1
98051220	Isotope_Atom_Count	0
15505	XLogP3-AA	4.6
129734884	TPSA	207
68137	Molecular_Weight	180.16
95763	Exact_Mass	245.0065981
24860548	Hydrogen_Bond_Donor_Count	3
146171122	Undefined_Bond_Stereo_Count	0
48289	Tautomer_Count	1
6422232	Undefined_Atom_Stereo_Count	0
4180	Molecular_Weight	293.3
9980551	Exact_Mass	437.0003825
97740	Non-hydrogen_Atom_Count	16
45109807	Defined_Bond_Stereo_Count	0
84068	Undefined_Atom_Stereo_Count	19
146701269	Rotatable_Bond_Count	1
25151504	Isotope_Atom_Count	0
43146	Structure_Complexity	327
117476	Non-hydrogen_Atom_Count	7
63954	Structure_Complexity	700
13693091	Exact_Mass	112.088815002
79043	Structure_Complexity	146
12132	Defined_Bond_Stereo_Count	0
141168949	XLogP3-AA	0.7
32742	Defined_Bond_Stereo_Count	0
19309	Defined_Bond_Stereo_Count	0
494	Covalent_Unit_Count	1
11500273	Rotatable_Bond_Count	5
891	Undefined_Atom_Stereo_Count	0
9805635	Mono_Isotopic_Weight	491.23212518
459494	Rotatable_Bond_Count	4
136333	Non-hydrogen_Atom_Count	5
3034372	Molecular_Weight	166.20
107561	Tautomer_Count	8
24721103	Undefined_Atom_Stereo_Count	2
10048103	Mono_Isotopic_Weight	426.16785316
46201499	Structure_Complexity	66.6
3081411	TPSA	340
3035657	Tautomer_Count	2
60196327	Isotope_Atom_Count	0
25142172	XLogP3-AA	3
138117	Covalent_Unit_Count	1
71456722	Non-hydrogen_Atom_Count	35
185792	Exact_Mass	121.971284
403275	Undefined_Bond_Stereo_Count	0
3307	Rotatable_Bond_Count	2
22975832	Non-hydrogen_Atom_Count	7
23462	Undefined_Bond_Stereo_Count	0
170362	Rotatable_Bond_Count	3
4639	Defined_Atom_Stereo_Count	0
18410493	Undefined_Bond_Stereo_Count	0
6436143	TPSA	571
705	Structure_Complexity	1520
9904746	Structure_Complexity	108
91562173	Hydrogen_Bond_Acceptor_Count	4
23677971	Tautomer_Count	1
13418379	Exact_Mass	112.100048391
5367415	Mono_Isotopic_Weight	80.062600255
34239	Rotatable_Bond_Count	2
16667738	Structure_Complexity	552
23665583	Defined_Bond_Stereo_Count	1
71358911	Non-hydrogen_Atom_Count	8
159812	TPSA	227
12474173	Defined_Atom_Stereo_Count	0
12132	Mono_Isotopic_Weight	208.100048391
164668700	Rotatable_Bond_Count	3
123979022	Rotatable_Bond_Count	0
136738541	Exact_Mass	1115.33041247
135431244	XLogP3-AA	0.1
76442017	Structure_Complexity	92.7
7017	Mono_Isotopic_Weight	170.073164938
1326	Isotope_Atom_Count	0
398517	Exact_Mass	410.14126175
10023121	Defined_Atom_Stereo_Count	0
14236	Non-hydrogen_Atom_Count	8
12642	Non-hydrogen_Atom_Count	6
102399	Undefined_Bond_Stereo_Count	0
76241	Hydrogen_Bond_Donor_Count	0
71306415	Undefined_Bond_Stereo_Count	0
444514	Isotope_Atom_Count	0
45408	Non-hydrogen_Atom_Count	22
5365793	Defined_Atom_Stereo_Count	0
118797420	Molecular_Weight	186.11
9281	Hydrogen_Bond_Donor_Count	0
15008	Molecular_Weight	196.20
69995962	Non-hydrogen_Atom_Count	6
13795006	Non-hydrogen_Atom_Count	8
1596	Covalent_Unit_Count	1
6918473	Exact_Mass	1163.56062088
127748	Tautomer_Count	8
57061367	Structure_Complexity	62.7
57391458	Hydrogen_Bond_Acceptor_Count	6
95659	Covalent_Unit_Count	1
44244962	TPSA	77.4
6368	Total_Formal_Charge	0
21594228	Non-hydrogen_Atom_Count	38
74563	Covalent_Unit_Count	1
70215286	Undefined_Atom_Stereo_Count	2
11296583	Rotatable_Bond_Count	7
6175	Total_Formal_Charge	0
15466	Tautomer_Count	4
22645860	Molecular_Weight	98.10
154522874	Exact_Mass	98.084398327
129785733	Structure_Complexity	96.3
119584	Total_Formal_Charge	0
6433520	Structure_Complexity	385
445750	Undefined_Atom_Stereo_Count	0
90800669	Rotatable_Bond_Count	1
5355026	Defined_Atom_Stereo_Count	0
6228	Hydrogen_Bond_Acceptor_Count	1
28118	Undefined_Atom_Stereo_Count	0
53998308	Undefined_Atom_Stereo_Count	0
11829353	Undefined_Atom_Stereo_Count	0
163652705	Hydrogen_Bond_Donor_Count	1
17541	Hydrogen_Bond_Acceptor_Count	3
15077409	Defined_Atom_Stereo_Count	0
57286	Structure_Complexity	305
12719155	Undefined_Bond_Stereo_Count	0
444451	Exact_Mass	717.00999
101526739	Exact_Mass	940.42049858
181511	Isotope_Atom_Count	0
16653	TPSA	45.6
5311211	Covalent_Unit_Count	1
145255275	Hydrogen_Bond_Acceptor_Count	1
57461895	Defined_Bond_Stereo_Count	0
69695	Non-hydrogen_Atom_Count	11
3513	Molecular_Weight	387.7
55286536	Exact_Mass	113.058911855
5702063	Structure_Complexity	228
146993530	Isotope_Atom_Count	0
86601564	Total_Formal_Charge	0
3035842	Molecular_Weight	165.24
4148881	Hydrogen_Bond_Acceptor_Count	1
15908	Mono_Isotopic_Weight	155.142247555
22386	Covalent_Unit_Count	1
88705	Covalent_Unit_Count	1
22169421	XLogP3-AA	6
17754007	Structure_Complexity	192
18373078	Exact_Mass	97.016378338
20831	Tautomer_Count	1
594130	Defined_Bond_Stereo_Count	0
1706	Molecular_Weight	178.23
12004215	TPSA	487
638071	Molecular_Weight	82.14
9929430	Covalent_Unit_Count	1
7986	Mono_Isotopic_Weight	314.24570956
61622	Undefined_Bond_Stereo_Count	0
143647928	Undefined_Atom_Stereo_Count	0
75791	XLogP3	1.2
15533	Exact_Mass	402.96055
5459319	Structure_Complexity	1030
89738	Undefined_Atom_Stereo_Count	0
448265	Rotatable_Bond_Count	0
3570	XLogP3-AA	3.9
92427	Rotatable_Bond_Count	0
124604783	Defined_Bond_Stereo_Count	2
287983	Mono_Isotopic_Weight	85.089149355
6537213	Structure_Complexity	548
165295	Total_Formal_Charge	0
44201376	Mono_Isotopic_Weight	458.19540532
9809002	Non-hydrogen_Atom_Count	44
153913521	Hydrogen_Bond_Acceptor_Count	2
9945927	Exact_Mass	341.11756954
15951416	Mono_Isotopic_Weight	342.14806121
2724039	Mono_Isotopic_Weight	209.94550188
21864560	Defined_Bond_Stereo_Count	0
82047	Isotope_Atom_Count	0
10176082	Defined_Bond_Stereo_Count	0
16129911	Defined_Bond_Stereo_Count	1
12061944	Non-hydrogen_Atom_Count	8
7705	Undefined_Atom_Stereo_Count	0
563049	Hydrogen_Bond_Donor_Count	2
369373	Hydrogen_Bond_Donor_Count	4
520277	Covalent_Unit_Count	1
436906	Isotope_Atom_Count	0
42609805	Hydrogen_Bond_Acceptor_Count	14
5368451	TPSA	0
41990	Tautomer_Count	4
13567	Isotope_Atom_Count	0
91399390	Isotope_Atom_Count	0
222697	Non-hydrogen_Atom_Count	8
162681560	Defined_Bond_Stereo_Count	0
12473807	Non-hydrogen_Atom_Count	7
11233	Isotope_Atom_Count	0
20081031	Hydrogen_Bond_Acceptor_Count	5
68746916	Undefined_Bond_Stereo_Count	0
91353581	Molecular_Weight	113.11
42040	Hydrogen_Bond_Donor_Count	0
18954	Molecular_Weight	243.22
601293	XLogP3	2.9
837924	Hydrogen_Bond_Acceptor_Count	3
12659781	Defined_Atom_Stereo_Count	0
65874	Tautomer_Count	5
49862517	Rotatable_Bond_Count	6
21115778	TPSA	138
62173	Defined_Bond_Stereo_Count	0
37015	Total_Formal_Charge	0
57438703	Molecular_Weight	116.04
143321	Non-hydrogen_Atom_Count	8
107994	Structure_Complexity	619
124946	Molecular_Weight	438.4
11564168	Non-hydrogen_Atom_Count	62
21696748	Isotope_Atom_Count	0
267210	Hydrogen_Bond_Acceptor_Count	3
50938	Mono_Isotopic_Weight	257.177964357
738952	Covalent_Unit_Count	1
135398569	Defined_Atom_Stereo_Count	4
1437838	Undefined_Bond_Stereo_Count	0
2763	Exact_Mass	288.0319997
11961423	Hydrogen_Bond_Acceptor_Count	2
35365	Defined_Bond_Stereo_Count	0
119081	Covalent_Unit_Count	1
142901	Mono_Isotopic_Weight	110.073164938
348	Rotatable_Bond_Count	5
5326971	Covalent_Unit_Count	1
5361309	Non-hydrogen_Atom_Count	30
8048	Undefined_Bond_Stereo_Count	0
657014	Rotatable_Bond_Count	0
84589	Defined_Atom_Stereo_Count	0
87279974	Undefined_Atom_Stereo_Count	0
24512	Hydrogen_Bond_Donor_Count	0
20438510	Defined_Atom_Stereo_Count	0
16449	TPSA	0
17753912	TPSA	0
4643	Total_Formal_Charge	1
23378923	Exact_Mass	112.088815002
137572	Covalent_Unit_Count	1
9916	Hydrogen_Bond_Acceptor_Count	3
30107	Tautomer_Count	2
69705	Isotope_Atom_Count	0
517637	Non-hydrogen_Atom_Count	21
139078414	Isotope_Atom_Count	0
60794	Structure_Complexity	1470
3037565	Non-hydrogen_Atom_Count	23
54693768	Undefined_Atom_Stereo_Count	2
75842	Rotatable_Bond_Count	5
12572	Rotatable_Bond_Count	2
34956	Total_Formal_Charge	0
71342	Rotatable_Bond_Count	5
41955	Isotope_Atom_Count	0
125395	Molecular_Weight	246.26
135391136	Rotatable_Bond_Count	13
190816	Undefined_Bond_Stereo_Count	0
501640	Defined_Atom_Stereo_Count	4
20680013	TPSA	9.2
125889	Exact_Mass	159.125928785
3951	Exact_Mass	408.19367399
88268487	Hydrogen_Bond_Donor_Count	1
82418990	Total_Formal_Charge	0
130429734	Covalent_Unit_Count	1
60574	Isotope_Atom_Count	0
11358077	Total_Formal_Charge	0
101815861	Defined_Atom_Stereo_Count	0
3828	Rotatable_Bond_Count	2
2795115	Hydrogen_Bond_Acceptor_Count	2
99025	Mono_Isotopic_Weight	228.0454260
90472770	Total_Formal_Charge	0
570603	Exact_Mass	106.053098200
6505	Defined_Bond_Stereo_Count	0
86916	Hydrogen_Bond_Acceptor_Count	3
65817	Molecular_Weight	228.33
5280906	Covalent_Unit_Count	1
448545	Structure_Complexity	834
99456	Defined_Bond_Stereo_Count	0
6264	Covalent_Unit_Count	1
6442439	Molecular_Weight	166.22
71463602	XLogP3	1
144416139	Isotope_Atom_Count	0
24473	Undefined_Atom_Stereo_Count	2
9823887	Rotatable_Bond_Count	7
13990016	Defined_Bond_Stereo_Count	0
134694951	Covalent_Unit_Count	2
14274724	Molecular_Weight	352.6
56955068	Undefined_Bond_Stereo_Count	0
918412	Exact_Mass	273.03644
53319416	Exact_Mass	484.0956626
6775	Isotope_Atom_Count	0
53779803	Exact_Mass	86.073164938
12248	Hydrogen_Bond_Acceptor_Count	1
318232	Isotope_Atom_Count	0
23663404	Undefined_Atom_Stereo_Count	1
6075	Exact_Mass	310.15036988
134693959	Molecular_Weight	461.4
72145	TPSA	111
23180086	Undefined_Bond_Stereo_Count	0
15411	Rotatable_Bond_Count	0
1894	Undefined_Bond_Stereo_Count	0
11750	TPSA	45.8
14693963	Defined_Atom_Stereo_Count	0
15661697	TPSA	76.1
13019066	XLogP3-AA	5.1
11147	Hydrogen_Bond_Donor_Count	0
31344	XLogP3-AA	0
10898649	Hydrogen_Bond_Acceptor_Count	2
470202	Defined_Atom_Stereo_Count	0
129710649	Molecular_Weight	130.09
12754519	Structure_Complexity	77.7
425051	Rotatable_Bond_Count	0
22836366	Non-hydrogen_Atom_Count	12
73554303	Defined_Atom_Stereo_Count	0
94543	Mono_Isotopic_Weight	250.193280068
96004	Isotope_Atom_Count	0
5765	Molecular_Weight	191.01
12242918	Mono_Isotopic_Weight	24.064197125
154731141	Covalent_Unit_Count	2
49864506	Undefined_Bond_Stereo_Count	0
621174	Covalent_Unit_Count	1
160866	Structure_Complexity	107
73353578	Total_Formal_Charge	0
21617691	Undefined_Atom_Stereo_Count	2
23305495	Hydrogen_Bond_Donor_Count	7
53967	Mono_Isotopic_Weight	184.08479225
5364420	Molecular_Weight	326.5
175191	Non-hydrogen_Atom_Count	24
9624	Total_Formal_Charge	0
71887	Undefined_Atom_Stereo_Count	0
65427	Isotope_Atom_Count	0
54392998	TPSA	38.3
9837916	Defined_Atom_Stereo_Count	1
6140	Covalent_Unit_Count	1
6024631	Defined_Bond_Stereo_Count	1
24847	Exact_Mass	158.167065321
74236	Tautomer_Count	1
3082555	Tautomer_Count	6
111206	Undefined_Bond_Stereo_Count	1
52945794	Mono_Isotopic_Weight	293.19909372
117010139	TPSA	15
593919	Mono_Isotopic_Weight	200.94254
9043	TPSA	58.2
13764	Molecular_Weight	275.22
79048	Undefined_Bond_Stereo_Count	1
443067	Defined_Atom_Stereo_Count	1
142772	Non-hydrogen_Atom_Count	32
69341841	Rotatable_Bond_Count	0
18182	Isotope_Atom_Count	0
21322	Non-hydrogen_Atom_Count	14
10240772	Defined_Atom_Stereo_Count	0
70695665	Hydrogen_Bond_Acceptor_Count	3
13182523	Total_Formal_Charge	0
18597	Non-hydrogen_Atom_Count	11
581383	TPSA	18.5
1302	Total_Formal_Charge	0
67522784	Non-hydrogen_Atom_Count	5
24191	Isotope_Atom_Count	0
41867	Mono_Isotopic_Weight	543.17406074
155810229	Defined_Bond_Stereo_Count	0
10290764	Molecular_Weight	112.13
71253	Defined_Bond_Stereo_Count	0
90475888	Tautomer_Count	3
46916	Molecular_Weight	270.35
5359371	Exact_Mass	283.193614421
449223	Structure_Complexity	474
1117	Non-hydrogen_Atom_Count	5
71309905	Hydrogen_Bond_Donor_Count	5
89239	Non-hydrogen_Atom_Count	8
24984	Tautomer_Count	1
95069	Defined_Atom_Stereo_Count	0
117774578	Hydrogen_Bond_Acceptor_Count	2
5280784	Isotope_Atom_Count	0
48288	Undefined_Atom_Stereo_Count	1
6259976	Tautomer_Count	3
54688697	Undefined_Bond_Stereo_Count	0
135566433	Covalent_Unit_Count	1
145822437	Undefined_Atom_Stereo_Count	0
71731823	Undefined_Bond_Stereo_Count	0
636401	Isotope_Atom_Count	0
5373773	Mono_Isotopic_Weight	250.12050905
17995818	Structure_Complexity	94.4
6423	Rotatable_Bond_Count	0
564890	Exact_Mass	291.100776666
135391044	Hydrogen_Bond_Acceptor_Count	14
15032818	Mono_Isotopic_Weight	106.078250319
13842461	Isotope_Atom_Count	0
4556055	Mono_Isotopic_Weight	344.23380221
101863	Covalent_Unit_Count	1
90420227	Molecular_Weight	114.15
21867906	Rotatable_Bond_Count	3
13568632	Isotope_Atom_Count	0
134574427	Molecular_Weight	102.14
5459784	Defined_Atom_Stereo_Count	2
17517	Defined_Atom_Stereo_Count	0
90408860	Hydrogen_Bond_Donor_Count	0
36207	Rotatable_Bond_Count	5
157355	Undefined_Atom_Stereo_Count	0
10989	Exact_Mass	158.167065321
5368010	Tautomer_Count	1
752860	Non-hydrogen_Atom_Count	23
18445434	Structure_Complexity	47
44344734	Covalent_Unit_Count	1
22591	Defined_Bond_Stereo_Count	0
50981	Total_Formal_Charge	0
45381907	Exact_Mass	377.11577528
10336591	Rotatable_Bond_Count	2
20652765	XLogP3-AA	1.1
4168	Defined_Bond_Stereo_Count	0
13638937	Molecular_Weight	257.23
36633	Hydrogen_Bond_Acceptor_Count	5
5284518	Covalent_Unit_Count	1
6433082	Exact_Mass	251.1288213
71311389	Total_Formal_Charge	0
6326996	Defined_Bond_Stereo_Count	0
139580	Defined_Bond_Stereo_Count	0
687906	Undefined_Bond_Stereo_Count	0
11136922	Undefined_Atom_Stereo_Count	1
6645	Undefined_Bond_Stereo_Count	0
5388936	Rotatable_Bond_Count	6
11508058	Isotope_Atom_Count	0
309734	Hydrogen_Bond_Donor_Count	1
637969	Hydrogen_Bond_Acceptor_Count	0
521993	Exact_Mass	102.068079557
76189844	TPSA	116
94317	Covalent_Unit_Count	1
60196390	Non-hydrogen_Atom_Count	19
3015773	Total_Formal_Charge	0
36870	Mono_Isotopic_Weight	343.9628144
12550332	Exact_Mass	101.047678466
23667630	Defined_Atom_Stereo_Count	3
56673551	Exact_Mass	454.20049070
60196437	Covalent_Unit_Count	1
46936900	Defined_Atom_Stereo_Count	3
13026389	TPSA	0
118689592	Mono_Isotopic_Weight	665.30474055
9828911	Isotope_Atom_Count	0
14456889	Hydrogen_Bond_Donor_Count	2
170359	TPSA	54
12672	TPSA	0
65601	Structure_Complexity	445
74574	Total_Formal_Charge	0
11344211	XLogP3-AA	3.3
25015556	Mono_Isotopic_Weight	534.29545371
54022694	Non-hydrogen_Atom_Count	8
56658432	TPSA	89.4
448042	Isotope_Atom_Count	0
31493	Total_Formal_Charge	0
11970	Hydrogen_Bond_Acceptor_Count	3
20448998	TPSA	52
500460	Molecular_Weight	208.25
54429687	Rotatable_Bond_Count	1
430945	Isotope_Atom_Count	0
159271	Total_Formal_Charge	0
8272	Hydrogen_Bond_Donor_Count	2
12251	Mono_Isotopic_Weight	90.031694049
85844257	TPSA	0
15707	Undefined_Atom_Stereo_Count	1
97868	Isotope_Atom_Count	0
703	TPSA	356
38532	Undefined_Bond_Stereo_Count	2
54037464	Undefined_Atom_Stereo_Count	0
1101318	Hydrogen_Bond_Acceptor_Count	7
22624610	Exact_Mass	94.016712692
767	TPSA	57.5
738033	Total_Formal_Charge	0
15614042	Defined_Bond_Stereo_Count	0
135911835	Undefined_Bond_Stereo_Count	0
104903	Rotatable_Bond_Count	6
85891258	Defined_Bond_Stereo_Count	0
50988819	Hydrogen_Bond_Donor_Count	0
7192	Rotatable_Bond_Count	2
89482	Undefined_Bond_Stereo_Count	0
22525209	Exact_Mass	811.47314329
15090448	Mono_Isotopic_Weight	114.068079557
5319249	Isotope_Atom_Count	0
1724	Undefined_Bond_Stereo_Count	0
7201	Undefined_Atom_Stereo_Count	0
24439	Structure_Complexity	36.8
54092188	Undefined_Atom_Stereo_Count	0
544588	Structure_Complexity	96.4
10107393	Covalent_Unit_Count	1
65546	Rotatable_Bond_Count	3
40771	Rotatable_Bond_Count	6
120	Total_Formal_Charge	0
13058233	Isotope_Atom_Count	0
119086017	Undefined_Atom_Stereo_Count	0
21133161	XLogP3-AA	1.1
19782023	XLogP3-AA	0.2
447153	Non-hydrogen_Atom_Count	10
5354133	Mono_Isotopic_Weight	312.26644501
71771808	Structure_Complexity	382
54087622	Structure_Complexity	94.4
40602794	Defined_Atom_Stereo_Count	1
91100506	Rotatable_Bond_Count	1
137642	Covalent_Unit_Count	1
601293	Rotatable_Bond_Count	1
44419240	TPSA	93.4
81391	Undefined_Bond_Stereo_Count	0
12622583	Molecular_Weight	110.20
38884	Covalent_Unit_Count	1
448388	Exact_Mass	180.06338810
84647642	Defined_Atom_Stereo_Count	0
21591456	Non-hydrogen_Atom_Count	16
32346	Defined_Bond_Stereo_Count	0
93500	Hydrogen_Bond_Donor_Count	0
9999	XLogP3	0.1
51671	Structure_Complexity	637
89602862	Mono_Isotopic_Weight	113.011292958
129752646	Molecular_Weight	395.4
50962	Tautomer_Count	5
49843517	Hydrogen_Bond_Donor_Count	2
4453511	Rotatable_Bond_Count	3
54738	Defined_Bond_Stereo_Count	0
59531373	Defined_Bond_Stereo_Count	0
779179	Hydrogen_Bond_Acceptor_Count	5
25124826	Covalent_Unit_Count	1
15293	Exact_Mass	158.130679813
88598	Tautomer_Count	1
15920952	Non-hydrogen_Atom_Count	10
16204922	Molecular_Weight	330.3
3034390	XLogP3-AA	5.6
15129	Hydrogen_Bond_Donor_Count	1
71518	Exact_Mass	441.08009
11957587	Total_Formal_Charge	0
726944	Undefined_Bond_Stereo_Count	0
5282768	Hydrogen_Bond_Acceptor_Count	2
10407120	Mono_Isotopic_Weight	375.15829154
6252910	Hydrogen_Bond_Acceptor_Count	8
7348	Structure_Complexity	254
8194	Hydrogen_Bond_Acceptor_Count	1
6918078	Hydrogen_Bond_Donor_Count	4
57394197	Undefined_Atom_Stereo_Count	0
15065	Defined_Atom_Stereo_Count	0
131270	Structure_Complexity	466
2734161	Hydrogen_Bond_Acceptor_Count	1
86488	Structure_Complexity	321
63079	Undefined_Bond_Stereo_Count	0
101008927	Undefined_Atom_Stereo_Count	1
170993	XLogP3-AA	2.4
71584544	Hydrogen_Bond_Acceptor_Count	6
51432351	Covalent_Unit_Count	1
65757	Hydrogen_Bond_Donor_Count	0
6604866	XLogP3	2.7
134	Hydrogen_Bond_Donor_Count	1
5365910	Defined_Atom_Stereo_Count	0
541123	Exact_Mass	380.19990218
90657669	Structure_Complexity	1220
5360460	TPSA	95.9
4895	Structure_Complexity	827
4051541	Rotatable_Bond_Count	0
2218	Tautomer_Count	3
42802	Defined_Atom_Stereo_Count	0
75806	Molecular_Weight	280.4
260707	Structure_Complexity	126
5285554	Covalent_Unit_Count	1
77572	Exact_Mass	104.029356028
22065216	Defined_Atom_Stereo_Count	0
156369283	Exact_Mass	196.146329876
64032	Total_Formal_Charge	0
5363095	TPSA	26.3
136796	Mono_Isotopic_Weight	130.078250319
34231	Exact_Mass	669.14421716
11667893	Undefined_Atom_Stereo_Count	0
641496	Exact_Mass	101.047678466
76959035	Hydrogen_Bond_Acceptor_Count	3
12465674	Undefined_Atom_Stereo_Count	2
173	Hydrogen_Bond_Acceptor_Count	4
123334	Isotope_Atom_Count	0
16136	Undefined_Atom_Stereo_Count	0
544380	Rotatable_Bond_Count	1
216227	Isotope_Atom_Count	0
135974	Covalent_Unit_Count	1
18755330	Exact_Mass	102.068079557
6412	Undefined_Atom_Stereo_Count	0
117965	Covalent_Unit_Count	2
70684313	Mono_Isotopic_Weight	411.15560620
6437358	Covalent_Unit_Count	1
6742	Structure_Complexity	605
7580	Exact_Mass	168.093900383
522996	Total_Formal_Charge	0
1361	Total_Formal_Charge	0
448258	TPSA	67.9
22909	Non-hydrogen_Atom_Count	21
18616052	Hydrogen_Bond_Donor_Count	2
5371560	Structure_Complexity	291
11149862	Defined_Atom_Stereo_Count	0
177	TPSA	17.1
17236	Rotatable_Bond_Count	4
11434927	Undefined_Atom_Stereo_Count	0
13065	Undefined_Bond_Stereo_Count	0
22224184	Hydrogen_Bond_Donor_Count	0
577	Exact_Mass	342.14002096
518966	Covalent_Unit_Count	1
57160816	Defined_Bond_Stereo_Count	0
67124	Non-hydrogen_Atom_Count	21
10427712	Structure_Complexity	483
496666	Undefined_Atom_Stereo_Count	1
12374	Mono_Isotopic_Weight	118.099379685
73154880	Undefined_Bond_Stereo_Count	0
5359327	Undefined_Bond_Stereo_Count	0
239377	Isotope_Atom_Count	0
96395	Exact_Mass	193.085126602
10942371	Covalent_Unit_Count	1
156323004	Total_Formal_Charge	0
10046	Defined_Bond_Stereo_Count	0
13200	TPSA	20.2
11861720	Rotatable_Bond_Count	1
135399594	TPSA	245
466	Non-hydrogen_Atom_Count	16
55287853	Defined_Atom_Stereo_Count	0
53825857	XLogP3-AA	1
173548	Defined_Bond_Stereo_Count	0
11285588	Mono_Isotopic_Weight	731.30002740
132420	Structure_Complexity	451
23270355	XLogP3-AA	0.9
2087	Total_Formal_Charge	0
107800	Tautomer_Count	2
121492004	Total_Formal_Charge	0
11058021	Defined_Atom_Stereo_Count	0
16404350	Undefined_Atom_Stereo_Count	9
11423566	Defined_Atom_Stereo_Count	0
90055716	XLogP3-AA	1.2
29498	Total_Formal_Charge	0
65359	Rotatable_Bond_Count	21
53432675	Isotope_Atom_Count	0
3980	Undefined_Atom_Stereo_Count	10
3852430	Hydrogen_Bond_Acceptor_Count	3
5003059	Defined_Bond_Stereo_Count	0
5354042	Defined_Bond_Stereo_Count	3
656892	Undefined_Atom_Stereo_Count	0
97656	Defined_Bond_Stereo_Count	0
129674572	Hydrogen_Bond_Donor_Count	0
587322	Hydrogen_Bond_Acceptor_Count	4
5505	Total_Formal_Charge	0
2072949	Defined_Bond_Stereo_Count	0
1819	Defined_Atom_Stereo_Count	0
10772936	Hydrogen_Bond_Acceptor_Count	1
127527	Undefined_Atom_Stereo_Count	0
54024247	TPSA	37.3
2762921	Hydrogen_Bond_Acceptor_Count	2
307976	Defined_Atom_Stereo_Count	0
38895	Molecular_Weight	636.9
6436870	Defined_Bond_Stereo_Count	1
146461	Undefined_Atom_Stereo_Count	0
71583603	Molecular_Weight	397.5
7405	Defined_Bond_Stereo_Count	0
13153908	TPSA	23.6
309	Total_Formal_Charge	0
93738	Defined_Bond_Stereo_Count	0
49771530	Molecular_Weight	88.06
12256	Defined_Bond_Stereo_Count	0
44443938	Mono_Isotopic_Weight	510.16609434
135678081	Hydrogen_Bond_Acceptor_Count	12
45270802	Exact_Mass	531.25088995
91661	Total_Formal_Charge	0
58420727	Total_Formal_Charge	0
11698194	Undefined_Bond_Stereo_Count	0
101611446	Rotatable_Bond_Count	0
4205687	Structure_Complexity	57.5
5805243	Isotope_Atom_Count	0
76970981	Rotatable_Bond_Count	6
93898	Defined_Atom_Stereo_Count	0
159778730	Molecular_Weight	284.35
14523552	Covalent_Unit_Count	1
6016	Covalent_Unit_Count	1
75786	TPSA	26.3
937	Molecular_Weight	122.10
543706	Mono_Isotopic_Weight	114.068079557
40466974	Undefined_Bond_Stereo_Count	0
13624278	Defined_Atom_Stereo_Count	0
122081	Defined_Bond_Stereo_Count	0
23665037	Structure_Complexity	426
10753	Hydrogen_Bond_Acceptor_Count	6
58970	Total_Formal_Charge	0
4448	Covalent_Unit_Count	1
752860	XLogP3-AA	3.9
68809	Undefined_Bond_Stereo_Count	0
11651149	Structure_Complexity	45.6
17700	Defined_Atom_Stereo_Count	0
188987	Defined_Atom_Stereo_Count	0
123392765	Total_Formal_Charge	0
10899025	Defined_Bond_Stereo_Count	0
18924037	Non-hydrogen_Atom_Count	8
47455	Hydrogen_Bond_Acceptor_Count	5
21698764	Hydrogen_Bond_Donor_Count	1
50990560	Hydrogen_Bond_Donor_Count	4
631779	Exact_Mass	352.101702159
86876	Molecular_Weight	168.19
10173277	Exact_Mass	418.21172409
11657	Hydrogen_Bond_Acceptor_Count	0
54006055	Non-hydrogen_Atom_Count	18
13795010	XLogP3-AA	1
14220	Undefined_Atom_Stereo_Count	1
129317062	Undefined_Atom_Stereo_Count	1
65667	XLogP3-AA	3.1
256539	Isotope_Atom_Count	0
240119	Total_Formal_Charge	0
13649426	Molecular_Weight	248.75
446411	Molecular_Weight	414.5
11378472	Hydrogen_Bond_Donor_Count	2
179668	Tautomer_Count	3
5238	Covalent_Unit_Count	2
11100989	Defined_Atom_Stereo_Count	0
22033948	Hydrogen_Bond_Acceptor_Count	3
154517323	Total_Formal_Charge	0
21952893	TPSA	1
129752646	Rotatable_Bond_Count	12
154081962	Non-hydrogen_Atom_Count	7
234237	Isotope_Atom_Count	0
5282403	Molecular_Weight	405.5
9875516	Defined_Atom_Stereo_Count	7
129858712	Hydrogen_Bond_Acceptor_Count	6
136784	Hydrogen_Bond_Acceptor_Count	3
10096344	Structure_Complexity	885
443118	Covalent_Unit_Count	1
11926	Mono_Isotopic_Weight	143.073499291
14503	Molecular_Weight	187.1
10698	XLogP3-AA	2.7
222572	Isotope_Atom_Count	0
12091	Total_Formal_Charge	0
5365773	Defined_Atom_Stereo_Count	0
96198	Structure_Complexity	143
81618	Defined_Atom_Stereo_Count	0
743492	Defined_Atom_Stereo_Count	0
33255	Rotatable_Bond_Count	7
10044	Isotope_Atom_Count	0
3082654	Total_Formal_Charge	0
9830615	Defined_Atom_Stereo_Count	4
2737121	Undefined_Atom_Stereo_Count	0
21703153	Hydrogen_Bond_Donor_Count	1
178438	Isotope_Atom_Count	0
20448997	Total_Formal_Charge	0
2453568	Defined_Bond_Stereo_Count	0
5297	TPSA	336
10966200	Undefined_Bond_Stereo_Count	0
44401302	Defined_Bond_Stereo_Count	0
5663	Isotope_Atom_Count	0
91420197	Isotope_Atom_Count	0
325385	Defined_Bond_Stereo_Count	0
81595	Exact_Mass	144.068748264
135436526	Undefined_Bond_Stereo_Count	0
74802	Non-hydrogen_Atom_Count	11
2622	Tautomer_Count	14
16183	Non-hydrogen_Atom_Count	11
146487258	Structure_Complexity	92.5
80472094	Undefined_Bond_Stereo_Count	0
25132953	XLogP3-AA	2.3
7133	Undefined_Bond_Stereo_Count	0
55290898	Undefined_Atom_Stereo_Count	1
11063784	Defined_Atom_Stereo_Count	2
6931	XLogP3	2.8
59791	Total_Formal_Charge	0
56440	Covalent_Unit_Count	1
439182	Total_Formal_Charge	0
11346	Structure_Complexity	197
6282	Mono_Isotopic_Weight	833.60878
57887199	Total_Formal_Charge	0
90579	Tautomer_Count	13
3155	Rotatable_Bond_Count	3
143495144	Non-hydrogen_Atom_Count	8
595230	Mono_Isotopic_Weight	161.047678466
95292	Isotope_Atom_Count	0
5897	Molecular_Weight	223.27
99451	Exact_Mass	203.91958482
85237	Hydrogen_Bond_Donor_Count	1
152260	Isotope_Atom_Count	0
20172	Exact_Mass	467.96739619
14200857	Hydrogen_Bond_Donor_Count	0
12082259	XLogP3-AA	4.3
78446	Structure_Complexity	46.1
7313	Hydrogen_Bond_Acceptor_Count	2
129631271	Hydrogen_Bond_Donor_Count	2
82751	Isotope_Atom_Count	0
101239377	Undefined_Bond_Stereo_Count	0
90408860	Isotope_Atom_Count	0
62436	Hydrogen_Bond_Acceptor_Count	1
19043237	Exact_Mass	104.094963011
18921	Defined_Atom_Stereo_Count	0
13140	Covalent_Unit_Count	1
9941306	Defined_Atom_Stereo_Count	9
22762494	Total_Formal_Charge	0
14671256	Hydrogen_Bond_Acceptor_Count	1
156592459	Defined_Atom_Stereo_Count	11
7684	Non-hydrogen_Atom_Count	11
6431771	Undefined_Atom_Stereo_Count	0
6784	Defined_Atom_Stereo_Count	0
54136224	Molecular_Weight	108.10
5086466	Isotope_Atom_Count	0
37367	Rotatable_Bond_Count	3
6440877	Isotope_Atom_Count	0
73977860	Non-hydrogen_Atom_Count	8
5284448	XLogP3-AA	5.3
7024	Covalent_Unit_Count	1
151193	Mono_Isotopic_Weight	464.1251329
4290	XLogP3	1
59336	Undefined_Atom_Stereo_Count	0
23657865	Total_Formal_Charge	0
92831	Undefined_Bond_Stereo_Count	0
8417	TPSA	44.8
56598471	Defined_Atom_Stereo_Count	0
65040	Undefined_Bond_Stereo_Count	0
2734164	Hydrogen_Bond_Donor_Count	0
1783	Structure_Complexity	529
34553	XLogP3-AA	5.2
70580528	Defined_Atom_Stereo_Count	7
31953	Total_Formal_Charge	0
19887667	Exact_Mass	104.094963011
124009720	Hydrogen_Bond_Acceptor_Count	2
38849	Structure_Complexity	636
99027	Covalent_Unit_Count	1
129628281	Isotope_Atom_Count	0
9870843	Defined_Bond_Stereo_Count	2
16052038	Mono_Isotopic_Weight	698.3862143
9811611	XLogP3-AA	3.7
15981894	Hydrogen_Bond_Acceptor_Count	9
10661	Rotatable_Bond_Count	0
4004	Exact_Mass	330.03606767
72038	Molecular_Weight	295.4
450503	Tautomer_Count	1
18730068	Hydrogen_Bond_Acceptor_Count	0
12546246	Hydrogen_Bond_Donor_Count	0
129652927	TPSA	38.7
106228050	Total_Formal_Charge	0
10118131	Defined_Atom_Stereo_Count	0
93536	XLogP3-AA	4.4
11632418	Covalent_Unit_Count	1
5284572	Defined_Atom_Stereo_Count	0
23537	Tautomer_Count	3
11363	Undefined_Atom_Stereo_Count	0
124201618	Mono_Isotopic_Weight	690.32985036
108051	Tautomer_Count	6
15301	Defined_Bond_Stereo_Count	0
6681	Total_Formal_Charge	0
736052	Covalent_Unit_Count	1
9941379	Covalent_Unit_Count	1
49783923	Defined_Atom_Stereo_Count	2
21947035	Molecular_Weight	159.20
10476254	Non-hydrogen_Atom_Count	27
6983	Non-hydrogen_Atom_Count	12
12394846	Defined_Atom_Stereo_Count	0
18179173	XLogP3-AA	0.6
2408	Exact_Mass	312.0665554
21884945	XLogP3	0.1
26473	Isotope_Atom_Count	0
42509	Molecular_Weight	329.9
6950248	Mono_Isotopic_Weight	103.099714038
585	XLogP3-AA	1.4
24906324	Covalent_Unit_Count	1
408714	Total_Formal_Charge	0
23707296	Hydrogen_Bond_Donor_Count	1
13945	Defined_Bond_Stereo_Count	0
16134956	Exact_Mass	3749.9498161
59050126	Hydrogen_Bond_Acceptor_Count	2
8077	Hydrogen_Bond_Acceptor_Count	2
3796	Covalent_Unit_Count	1
40466858	Hydrogen_Bond_Donor_Count	1
91169276	Hydrogen_Bond_Acceptor_Count	3
66628308	Isotope_Atom_Count	0
3084667	Non-hydrogen_Atom_Count	22
12668	Molecular_Weight	162.27
72149	Molecular_Weight	382.5
441344	Defined_Bond_Stereo_Count	0
55286809	Hydrogen_Bond_Acceptor_Count	2
4255874	Defined_Atom_Stereo_Count	0
7582	Hydrogen_Bond_Donor_Count	1
83656	Molecular_Weight	310.5
79491	Undefined_Atom_Stereo_Count	0
135438608	Defined_Atom_Stereo_Count	1
21766417	Structure_Complexity	58.1
62016	Total_Formal_Charge	0
5342002	Mono_Isotopic_Weight	285.0920418
66602	Defined_Atom_Stereo_Count	0
60335	Hydrogen_Bond_Acceptor_Count	2
13284111	Defined_Atom_Stereo_Count	0
17922642	Hydrogen_Bond_Acceptor_Count	1
5606	Undefined_Bond_Stereo_Count	0
135429738	Defined_Atom_Stereo_Count	0
65604	XLogP3-AA	10.7
135565884	Undefined_Bond_Stereo_Count	0
130027214	Rotatable_Bond_Count	0
5316860	Hydrogen_Bond_Acceptor_Count	9
450484	Hydrogen_Bond_Acceptor_Count	6
31348	Defined_Atom_Stereo_Count	0
6392641	Non-hydrogen_Atom_Count	48
53701	Total_Formal_Charge	0
13463348	Total_Formal_Charge	0
57750364	XLogP3-AA	1.3
800	Undefined_Bond_Stereo_Count	0
6084	Mono_Isotopic_Weight	375.1237359
186114	Non-hydrogen_Atom_Count	6
4653	Molecular_Weight	139.17
24781	Hydrogen_Bond_Donor_Count	1
76971016	TPSA	272
135445749	TPSA	204
44345559	Rotatable_Bond_Count	6
6456015	TPSA	172
4272	Undefined_Bond_Stereo_Count	1
135421124	Mono_Isotopic_Weight	339.98474
5287779	Molecular_Weight	202.25
90628	Structure_Complexity	141
165653078	Isotope_Atom_Count	0
89844	Molecular_Weight	558.0
6931101	Mono_Isotopic_Weight	180.02968267
89881183	Exact_Mass	396.1101515
117717939	Rotatable_Bond_Count	4
20849107	Mono_Isotopic_Weight	353.23279915
4498	Molecular_Weight	129.16
141761	Rotatable_Bond_Count	0
81080	Rotatable_Bond_Count	11
8811	Tautomer_Count	1
12608294	Hydrogen_Bond_Donor_Count	1
71474517	Molecular_Weight	1001.3
104798	Total_Formal_Charge	2
2933256	Exact_Mass	303.1389920
10659	XLogP3-AA	2.7
37983	Total_Formal_Charge	0
20607916	Hydrogen_Bond_Donor_Count	0
70691405	Defined_Bond_Stereo_Count	0
11513929	Defined_Bond_Stereo_Count	0
78802	Molecular_Weight	226.10
443037	Undefined_Atom_Stereo_Count	0
5595	TPSA	45.3
46203139	Molecular_Weight	514.4
446871	Molecular_Weight	466.4
44225660	Molecular_Weight	535.8
82513	Defined_Atom_Stereo_Count	0
6999109	Undefined_Atom_Stereo_Count	0
78031	Undefined_Atom_Stereo_Count	0
154730852	Structure_Complexity	1230
56828	Exact_Mass	363.1601214
21120209	Hydrogen_Bond_Acceptor_Count	7
1549789	Non-hydrogen_Atom_Count	18
444450	Hydrogen_Bond_Acceptor_Count	10
31779	XLogP3	3.7
102106219	Non-hydrogen_Atom_Count	11
85862	Rotatable_Bond_Count	4
35004	Hydrogen_Bond_Donor_Count	1
8648	Undefined_Atom_Stereo_Count	2
123631	Structure_Complexity	545
9890250	Molecular_Weight	455.9
4513	Undefined_Bond_Stereo_Count	1
15965	Hydrogen_Bond_Donor_Count	2
114809	Mono_Isotopic_Weight	205.85370
70390	Mono_Isotopic_Weight	226.110613074
6018	Mono_Isotopic_Weight	317.19909372
68129	Mono_Isotopic_Weight	112.016043985
447534	Hydrogen_Bond_Acceptor_Count	4
10912274	Mono_Isotopic_Weight	260.00481
178144	TPSA	37.7
8270	Undefined_Bond_Stereo_Count	0
88631	TPSA	37.3
119606	Defined_Atom_Stereo_Count	0
13814	XLogP3-AA	3.1
31779	Covalent_Unit_Count	1
129746471	Undefined_Atom_Stereo_Count	1
6918336	Defined_Bond_Stereo_Count	0
523523	Defined_Atom_Stereo_Count	0
17181	Total_Formal_Charge	0
3706	Defined_Atom_Stereo_Count	0
12745213	Isotope_Atom_Count	0
18998026	Defined_Bond_Stereo_Count	0
22096568	Defined_Bond_Stereo_Count	0
74040195	Exact_Mass	97.052763847
37264	Undefined_Atom_Stereo_Count	0
3567443	XLogP3-AA	2.3
694856	Isotope_Atom_Count	0
72652	XLogP3-AA	3.2
918436	Hydrogen_Bond_Donor_Count	0
62705690	Covalent_Unit_Count	1
27448	Exact_Mass	438.76997
643209	Covalent_Unit_Count	1
5282230	Total_Formal_Charge	0
7119	Defined_Atom_Stereo_Count	0
88398	XLogP3-AA	1.1
6996	Hydrogen_Bond_Acceptor_Count	1
20119162	Hydrogen_Bond_Donor_Count	2
2942	Structure_Complexity	215
52914324	Exact_Mass	650.33156444
21668201	Hydrogen_Bond_Donor_Count	2
85624637	Defined_Bond_Stereo_Count	0
71460924	Exact_Mass	525.2030488
6426740	Isotope_Atom_Count	0
65728	XLogP3-AA	8.3
18999713	Defined_Bond_Stereo_Count	0
439186	Total_Formal_Charge	0
6918149	Hydrogen_Bond_Acceptor_Count	10
715567	Covalent_Unit_Count	1
23662512	Covalent_Unit_Count	2
116842253	Exact_Mass	109.089149355
92292	Non-hydrogen_Atom_Count	15
62158	Exact_Mass	242.09027155
76989	Hydrogen_Bond_Acceptor_Count	0
6173	Rotatable_Bond_Count	2
325003	Undefined_Atom_Stereo_Count	2
5353646	Hydrogen_Bond_Acceptor_Count	2
356	Structure_Complexity	25
65815658	Total_Formal_Charge	0
493342	Total_Formal_Charge	0
11809740	Undefined_Atom_Stereo_Count	0
61680	Undefined_Bond_Stereo_Count	0
54422686	Hydrogen_Bond_Donor_Count	1
19989408	Undefined_Bond_Stereo_Count	0
13248127	Isotope_Atom_Count	0
54455096	Hydrogen_Bond_Donor_Count	0
90390	Rotatable_Bond_Count	2
12622744	Rotatable_Bond_Count	3
15072	Molecular_Weight	125.17
536086	Rotatable_Bond_Count	1
520352	Isotope_Atom_Count	0
53456	TPSA	87.1
6992086	Total_Formal_Charge	0
95202	Hydrogen_Bond_Donor_Count	0
72760	Mono_Isotopic_Weight	254.10150494
23989	Hydrogen_Bond_Donor_Count	0
638228	XLogP3-AA	3.6
91196148	Mono_Isotopic_Weight	1201.84136802
952882	Isotope_Atom_Count	0
50988819	XLogP3-AA	4.5
64709	Hydrogen_Bond_Acceptor_Count	8
558363	Covalent_Unit_Count	1
25209	Defined_Bond_Stereo_Count	0
22280261	Structure_Complexity	70.5
22753628	Undefined_Atom_Stereo_Count	0
55362	Undefined_Bond_Stereo_Count	0
70949	Tautomer_Count	9
61207	Tautomer_Count	1
54167752	Covalent_Unit_Count	1
45157716	Defined_Bond_Stereo_Count	0
142739236	Hydrogen_Bond_Donor_Count	1
23985	TPSA	0
12240	Non-hydrogen_Atom_Count	8
88929423	Defined_Atom_Stereo_Count	0
6436063	Exact_Mass	366.361014095
4451	Non-hydrogen_Atom_Count	40
140519105	Hydrogen_Bond_Acceptor_Count	2
123452974	Total_Formal_Charge	0
10962	Exact_Mass	183.97490
57406720	Undefined_Atom_Stereo_Count	1
5707	Total_Formal_Charge	0
619	TPSA	98
137224392	Undefined_Atom_Stereo_Count	2
81445	Isotope_Atom_Count	0
104150	XLogP3-AA	1.2
3036222	Hydrogen_Bond_Acceptor_Count	2
13062961	Hydrogen_Bond_Donor_Count	1
2527	Molecular_Weight	233.26
5068681	Mono_Isotopic_Weight	105.078978594
40652	TPSA	65.1
288	Rotatable_Bond_Count	3
144021791	Rotatable_Bond_Count	1
154557922	Structure_Complexity	90.1
91878	Isotope_Atom_Count	0
124426477	TPSA	57.2
78027	Undefined_Atom_Stereo_Count	0
49937	Non-hydrogen_Atom_Count	10
6445562	XLogP3-AA	4.5
656832	Structure_Complexity	432
17533	Non-hydrogen_Atom_Count	17
13337173	Exact_Mass	112.088815002
20390093	TPSA	48.2
4136	Covalent_Unit_Count	1
11734	Structure_Complexity	61.8
12040	XLogP3-AA	2.2
10191021	Isotope_Atom_Count	0
11865437	Isotope_Atom_Count	0
6327116	Mono_Isotopic_Weight	141.01054143
145984	Defined_Atom_Stereo_Count	3
71339	TPSA	128
93078	Defined_Atom_Stereo_Count	2
277990	TPSA	37.4
91037	Hydrogen_Bond_Acceptor_Count	7
134694664	Non-hydrogen_Atom_Count	30
129711560	Undefined_Atom_Stereo_Count	4
65958	Undefined_Bond_Stereo_Count	0
5329016	Undefined_Atom_Stereo_Count	0
5954	Non-hydrogen_Atom_Count	18
83648	Undefined_Bond_Stereo_Count	0
100016	Exact_Mass	228.07462149
75057	Isotope_Atom_Count	0
156619387	Defined_Bond_Stereo_Count	3
9821849	Tautomer_Count	1
5311312	Structure_Complexity	2220
71544786	Exact_Mass	688.22492620
100524	Isotope_Atom_Count	0
13745	Rotatable_Bond_Count	5
11578	Tautomer_Count	6
69677	Exact_Mass	134.00918253
5280804	Hydrogen_Bond_Donor_Count	8
16130957	Mono_Isotopic_Weight	1568.8423034
74616	Isotope_Atom_Count	0
206044	TPSA	111
87187677	Undefined_Atom_Stereo_Count	1
5352728	Total_Formal_Charge	0
123597	Total_Formal_Charge	0
12580406	Undefined_Bond_Stereo_Count	0
23700091	Structure_Complexity	218
12504793	TPSA	20.2
524270	Hydrogen_Bond_Acceptor_Count	2
199605	Defined_Atom_Stereo_Count	1
6730	Exact_Mass	280.0057849
13704283	Mono_Isotopic_Weight	114.079312947
23615408	Defined_Bond_Stereo_Count	0
44119936	Isotope_Atom_Count	0
63950	Total_Formal_Charge	0
32742	Hydrogen_Bond_Acceptor_Count	2
60154328	Defined_Atom_Stereo_Count	0
101218360	XLogP3-AA	0.3
11115032	Covalent_Unit_Count	1
41653	Defined_Atom_Stereo_Count	16
67210	Undefined_Atom_Stereo_Count	0
40973	Defined_Bond_Stereo_Count	0
81184	TPSA	15.6
88890027	Hydrogen_Bond_Donor_Count	0
5259916	Hydrogen_Bond_Donor_Count	2
11462536	TPSA	35.5
45356876	Hydrogen_Bond_Acceptor_Count	8
24853	Defined_Atom_Stereo_Count	0
848667	Isotope_Atom_Count	0
11946	Exact_Mass	174.042927438
81761	Molecular_Weight	444.0
9915039	TPSA	68.2
11105655	Covalent_Unit_Count	1
133268464	Hydrogen_Bond_Donor_Count	21
57328385	Defined_Atom_Stereo_Count	0
9508	XLogP3-AA	0
57401195	Non-hydrogen_Atom_Count	30
57249770	TPSA	54.4
60657	Covalent_Unit_Count	1
21685	TPSA	20.2
62705861	Total_Formal_Charge	0
13710589	Exact_Mass	78.01393598
87689	Hydrogen_Bond_Donor_Count	0
13	Isotope_Atom_Count	0
25263111	Defined_Atom_Stereo_Count	0
182511	Non-hydrogen_Atom_Count	14
53320156	Hydrogen_Bond_Acceptor_Count	5
71778	Defined_Atom_Stereo_Count	0
93083	Hydrogen_Bond_Acceptor_Count	2
8388	Covalent_Unit_Count	1
163735019	Isotope_Atom_Count	0
2734176	Exact_Mass	281.07680542
712421	TPSA	63.3
13776191	Defined_Atom_Stereo_Count	0
81472	Undefined_Atom_Stereo_Count	0
31364	XLogP3-AA	2.3
102068104	XLogP3-AA	1
91617740	XLogP3-AA	4.4
28876	Structure_Complexity	363
22382373	Defined_Atom_Stereo_Count	0
1672	Total_Formal_Charge	0
59296041	Undefined_Atom_Stereo_Count	0
59799570	Non-hydrogen_Atom_Count	25
12488467	Covalent_Unit_Count	1
159326	Structure_Complexity	516
44377662	Isotope_Atom_Count	0
123257569	Non-hydrogen_Atom_Count	8
13483371	Undefined_Atom_Stereo_Count	0
12156911	Mono_Isotopic_Weight	91.042199164
2777993	Undefined_Atom_Stereo_Count	0
73170	Rotatable_Bond_Count	0
55560	Defined_Bond_Stereo_Count	0
22078	Defined_Bond_Stereo_Count	0
437080	Undefined_Atom_Stereo_Count	26
90472752	Exact_Mass	181.06674293
54427	Mono_Isotopic_Weight	263.105862047
142552	Defined_Bond_Stereo_Count	0
18819	Exact_Mass	246.12873571
21340555	XLogP3-AA	3.2
3014538	Undefined_Atom_Stereo_Count	1
77058	XLogP3-AA	3.2
67628	Rotatable_Bond_Count	6
44578537	Molecular_Weight	336.4
11234	Non-hydrogen_Atom_Count	16
69488026	Hydrogen_Bond_Donor_Count	0
53824461	Covalent_Unit_Count	1
44563	Non-hydrogen_Atom_Count	29
158974	Non-hydrogen_Atom_Count	22
19754146	Molecular_Weight	210.23
16415729	Hydrogen_Bond_Donor_Count	3
263608	Hydrogen_Bond_Donor_Count	1
5742631	Defined_Bond_Stereo_Count	0
688272	Total_Formal_Charge	0
126011	Non-hydrogen_Atom_Count	28
3030770	Covalent_Unit_Count	2
6478035	Tautomer_Count	2
20568258	Rotatable_Bond_Count	3
164930	TPSA	17.1
20652033	Total_Formal_Charge	0
84605	Mono_Isotopic_Weight	196.0978555
24530	Mono_Isotopic_Weight	43.017047045
7594067	Hydrogen_Bond_Acceptor_Count	6
75846	Undefined_Bond_Stereo_Count	0
18531013	Undefined_Bond_Stereo_Count	0
10639	Rotatable_Bond_Count	1
2968	XLogP3-AA	3.9
12989	Covalent_Unit_Count	1
136305612	Undefined_Atom_Stereo_Count	0
12671690	Total_Formal_Charge	0
6971097	Undefined_Atom_Stereo_Count	0
153	Total_Formal_Charge	0
86751	Structure_Complexity	97
60196328	Tautomer_Count	1
69086581	Defined_Atom_Stereo_Count	0
21908889	Hydrogen_Bond_Donor_Count	3
19878	Rotatable_Bond_Count	1
10727124	XLogP3-AA	2.9
11546	XLogP3-AA	1.6
71402	Covalent_Unit_Count	1
91537	Covalent_Unit_Count	1
37271	XLogP3-AA	0.9
8427	Mono_Isotopic_Weight	233.9850495
36560	Defined_Atom_Stereo_Count	0
10141	Hydrogen_Bond_Donor_Count	2
8230	Molecular_Weight	1084.2
21723	Covalent_Unit_Count	1
3015569	Undefined_Atom_Stereo_Count	0
353481	Mono_Isotopic_Weight	495.16014201
8054	Exact_Mass	118.062994177
11769	Structure_Complexity	273
4369491	Hydrogen_Bond_Donor_Count	3
54150876	Structure_Complexity	165
11519069	TPSA	29.5
5702162	Structure_Complexity	303
57410	Molecular_Weight	436.14
583941	Rotatable_Bond_Count	2
5281801	Mono_Isotopic_Weight	286.04773803
58544	Isotope_Atom_Count	0
398517	XLogP3-AA	2.5
610072	Undefined_Bond_Stereo_Count	0
87363	Non-hydrogen_Atom_Count	7
453359	Hydrogen_Bond_Donor_Count	0
54676715	Rotatable_Bond_Count	9
12674802	Exact_Mass	304.78323
15548	Molecular_Weight	357.4
138924	Defined_Atom_Stereo_Count	0
102506015	Hydrogen_Bond_Acceptor_Count	4
65815658	Undefined_Atom_Stereo_Count	1
89159	Exact_Mass	208.07355886
18680274	Structure_Complexity	519
135419182	Non-hydrogen_Atom_Count	33
2833	Undefined_Atom_Stereo_Count	1
13214429	TPSA	50.6
96092	Hydrogen_Bond_Donor_Count	1
15148131	Defined_Bond_Stereo_Count	0
13653	Hydrogen_Bond_Donor_Count	3
121233058	Defined_Atom_Stereo_Count	0
85764696	Undefined_Atom_Stereo_Count	0
80281	Rotatable_Bond_Count	17
14709	Mono_Isotopic_Weight	330.21949481
3059	Undefined_Bond_Stereo_Count	0
69440016	TPSA	121
11607904	XLogP3-AA	0
12599352	Defined_Atom_Stereo_Count	0
11957515	Structure_Complexity	380
447029	Rotatable_Bond_Count	2
28961	Exact_Mass	73.016378338
9862076	Hydrogen_Bond_Acceptor_Count	5
6435801	Undefined_Bond_Stereo_Count	0
54519	Non-hydrogen_Atom_Count	23
24848402	Non-hydrogen_Atom_Count	21
12309339	Undefined_Bond_Stereo_Count	0
73241	Defined_Bond_Stereo_Count	0
123292394	Hydrogen_Bond_Donor_Count	1
67710	Undefined_Bond_Stereo_Count	0
3497012	Rotatable_Bond_Count	2
1810216	Hydrogen_Bond_Acceptor_Count	3
56846240	TPSA	290
20190406	Non-hydrogen_Atom_Count	8
2762919	Rotatable_Bond_Count	0
9797857	XLogP3-AA	2.6
13816	Hydrogen_Bond_Donor_Count	2
3781988	Rotatable_Bond_Count	6
4426	Rotatable_Bond_Count	4
172307	Hydrogen_Bond_Donor_Count	1
664510	Hydrogen_Bond_Donor_Count	1
16067950	Undefined_Atom_Stereo_Count	0
436515	Exact_Mass	367.04331
79276	Rotatable_Bond_Count	19
25006685	TPSA	84.2
4283516	Molecular_Weight	665.7
11978451	Undefined_Atom_Stereo_Count	0
137704528	Isotope_Atom_Count	0
5288390	Defined_Bond_Stereo_Count	0
20449316	Mono_Isotopic_Weight	151.08445790
71462510	Defined_Atom_Stereo_Count	0
16075	XLogP3	1.8
100933147	Total_Formal_Charge	0
636908	Hydrogen_Bond_Acceptor_Count	9
60199965	Molecular_Weight	476.5
31099	Tautomer_Count	2
9797661	XLogP3-AA	3.7
291	Total_Formal_Charge	1
22856734	Hydrogen_Bond_Donor_Count	1
81867	TPSA	37.4
135417349	Molecular_Weight	116.12
10406	Exact_Mass	199.229999929
2444	Structure_Complexity	258
36933	TPSA	24.9
122767	Mono_Isotopic_Weight	287.07834094
20433	Total_Formal_Charge	0
3007984	Molecular_Weight	783.9
12706145	Mono_Isotopic_Weight	112.088815002
9097	XLogP3-AA	5.8
62232962	Exact_Mass	112.052429494
87161809	Hydrogen_Bond_Donor_Count	1
142798	Mono_Isotopic_Weight	108.093900383
12561986	Molecular_Weight	92.14
96458	Defined_Atom_Stereo_Count	0
73415809	Exact_Mass	380.13818736
16058881	Hydrogen_Bond_Donor_Count	1
1805	Non-hydrogen_Atom_Count	17
57823090	Undefined_Atom_Stereo_Count	0
10695575	Exact_Mass	467.25727730
5330213	TPSA	76.6
25110841	Mono_Isotopic_Weight	551.1291086
659064	Undefined_Atom_Stereo_Count	1
13836896	Defined_Atom_Stereo_Count	0
54362	Total_Formal_Charge	0
65513	Molecular_Weight	307.14
904857	Structure_Complexity	343
15370743	Isotope_Atom_Count	0
57229732	Exact_Mass	116.058577502
408714	XLogP3-AA	0.3
53235510	Undefined_Bond_Stereo_Count	0
3047822	Hydrogen_Bond_Acceptor_Count	4
265	Undefined_Bond_Stereo_Count	0
143321	TPSA	0
129316724	Isotope_Atom_Count	3
138005	Total_Formal_Charge	0
6419941	Structure_Complexity	340
84787	TPSA	52.6
8678	Non-hydrogen_Atom_Count	13
85942939	Defined_Atom_Stereo_Count	0
23190	Defined_Atom_Stereo_Count	4
6436158	Exact_Mass	813.45107043
70692444	Molecular_Weight	291.5
67641738	Mono_Isotopic_Weight	180.06338810
69420	Covalent_Unit_Count	1
137249786	Covalent_Unit_Count	1
55595	Exact_Mass	324.12090297
5324169	Covalent_Unit_Count	1
90488948	Undefined_Atom_Stereo_Count	0
69903	Hydrogen_Bond_Acceptor_Count	3
11517146	Structure_Complexity	568
133556498	Non-hydrogen_Atom_Count	43
71459864	Defined_Atom_Stereo_Count	8
145562	Defined_Atom_Stereo_Count	0
71719268	XLogP3-AA	4.5
323	Hydrogen_Bond_Acceptor_Count	2
447342	Covalent_Unit_Count	1
43515	Tautomer_Count	12
36392	XLogP3	5
6433164	Hydrogen_Bond_Donor_Count	0
2562	Undefined_Bond_Stereo_Count	0
12871376	Hydrogen_Bond_Donor_Count	0
69994	Total_Formal_Charge	0
101603227	XLogP3-AA	6.1
44629601	Isotope_Atom_Count	0
3081	Defined_Atom_Stereo_Count	0
61594	Covalent_Unit_Count	1
10409	Undefined_Atom_Stereo_Count	0
166556	Isotope_Atom_Count	0
64617	Mono_Isotopic_Weight	276.183778013
5271569	Covalent_Unit_Count	1
11865435	Total_Formal_Charge	0
9898440	Covalent_Unit_Count	1
124486	Hydrogen_Bond_Acceptor_Count	5
19067730	Structure_Complexity	94
16837	Hydrogen_Bond_Acceptor_Count	5
72941442	Undefined_Bond_Stereo_Count	0
10889178	Mono_Isotopic_Weight	210.0196052
5282200	Undefined_Bond_Stereo_Count	0
68783	Isotope_Atom_Count	0
4621	Total_Formal_Charge	0
11589453	Defined_Atom_Stereo_Count	0
4261	Defined_Atom_Stereo_Count	0
8262	Undefined_Bond_Stereo_Count	0
221	TPSA	177
144189552	Exact_Mass	113.047678466
27661	Exact_Mass	191.04298701
7048801	Structure_Complexity	139
70696332	Undefined_Bond_Stereo_Count	0
443933	Isotope_Atom_Count	0
11193842	Rotatable_Bond_Count	4
433956	Hydrogen_Bond_Acceptor_Count	2
107720	Defined_Atom_Stereo_Count	1
53884785	TPSA	38.7
28565	Hydrogen_Bond_Donor_Count	2
5282138	Non-hydrogen_Atom_Count	36
74867	Exact_Mass	220.088815002
95705	Undefined_Bond_Stereo_Count	0
4021	Mono_Isotopic_Weight	174.079312947
5281915	TPSA	52.6
122767	Isotope_Atom_Count	0
103376402	Total_Formal_Charge	0
9794485	Rotatable_Bond_Count	3
135027	Hydrogen_Bond_Acceptor_Count	2
167842	Defined_Bond_Stereo_Count	0
299801	XLogP3-AA	0.5
41541	Defined_Bond_Stereo_Count	0
21870	Total_Formal_Charge	0
102161032	Defined_Bond_Stereo_Count	0
19589	Total_Formal_Charge	0
77763	TPSA	20.2
9818287	Rotatable_Bond_Count	6
1778	Rotatable_Bond_Count	14
86054107	Hydrogen_Bond_Donor_Count	0
58781694	Exact_Mass	115.063328530
10201696	Undefined_Bond_Stereo_Count	0
43552	TPSA	0
16480	Structure_Complexity	146
17753992	Defined_Atom_Stereo_Count	3
667684	Structure_Complexity	247
170286	Undefined_Bond_Stereo_Count	0
114946	Covalent_Unit_Count	1
80009	Non-hydrogen_Atom_Count	7
72734332	Undefined_Bond_Stereo_Count	0
61101	Tautomer_Count	1
338812	Isotope_Atom_Count	0
21520336	Molecular_Weight	309.62
18506394	Undefined_Atom_Stereo_Count	3
6549	Undefined_Atom_Stereo_Count	1
716315	Molecular_Weight	183.18
86614862	Non-hydrogen_Atom_Count	21
15606	Undefined_Bond_Stereo_Count	0
433294	Undefined_Atom_Stereo_Count	0
17313	Molecular_Weight	148.63
17351	Structure_Complexity	246
49296	Hydrogen_Bond_Donor_Count	2
5197257	Undefined_Atom_Stereo_Count	2
177949	Defined_Bond_Stereo_Count	0
537092	Mono_Isotopic_Weight	132.115029749
285666	Molecular_Weight	452.6
45071972	Hydrogen_Bond_Acceptor_Count	3
98136	TPSA	12
57402175	Isotope_Atom_Count	0
38260	TPSA	192
60196304	TPSA	138
20112175	Molecular_Weight	92.09
8743	Covalent_Unit_Count	1
716121	Undefined_Atom_Stereo_Count	0
36119	Covalent_Unit_Count	1
20095	Hydrogen_Bond_Acceptor_Count	3
2599	Exact_Mass	187.074561919
26470417	Defined_Bond_Stereo_Count	0
7790	Rotatable_Bond_Count	11
55255285	Defined_Bond_Stereo_Count	0
158895	Exact_Mass	338.12665706
55958	Structure_Complexity	411
201734	Undefined_Atom_Stereo_Count	0
117891679	TPSA	17.1
70430	Isotope_Atom_Count	0
11051611	Exact_Mass	113.084063974
129852933	Non-hydrogen_Atom_Count	19
69061828	Undefined_Bond_Stereo_Count	0
3940691	Exact_Mass	224.06847348
92444	Defined_Atom_Stereo_Count	2
893947	Isotope_Atom_Count	0
12367843	Exact_Mass	108.093900383
135425186	Structure_Complexity	493
79003661	Structure_Complexity	120
80528	Defined_Bond_Stereo_Count	0
57202979	Undefined_Bond_Stereo_Count	0
2512	Hydrogen_Bond_Donor_Count	2
44392148	Rotatable_Bond_Count	9
14816327	Mono_Isotopic_Weight	113.084063974
19938785	Exact_Mass	112.088815002
10872638	Total_Formal_Charge	0
9909392	TPSA	83.8
20784398	XLogP3-AA	1.8
18656	Defined_Bond_Stereo_Count	0
41020	Structure_Complexity	538
154066059	Molecular_Weight	110.07
166918	TPSA	6
660	Defined_Bond_Stereo_Count	0
11104792	Hydrogen_Bond_Donor_Count	3
81097	Mono_Isotopic_Weight	173.0243562
138801	Mono_Isotopic_Weight	274.266051085
30318	Undefined_Bond_Stereo_Count	0
66912	Rotatable_Bond_Count	6
978	TPSA	63.3
28284151	Rotatable_Bond_Count	2
667448	Structure_Complexity	457
18715492	Isotope_Atom_Count	0
824	Isotope_Atom_Count	0
56842208	Isotope_Atom_Count	0
461666	Exact_Mass	384.13213636
21354407	Non-hydrogen_Atom_Count	8
454844	Isotope_Atom_Count	0
54411340	Non-hydrogen_Atom_Count	7
11263485	Defined_Atom_Stereo_Count	0
10796703	Covalent_Unit_Count	1
5464265	Covalent_Unit_Count	1
9973	Isotope_Atom_Count	0
6234	Hydrogen_Bond_Acceptor_Count	3
124149361	Structure_Complexity	40.7
188350	TPSA	132
961	Isotope_Atom_Count	0
92032367	Defined_Atom_Stereo_Count	0
138107778	TPSA	279
28080	Total_Formal_Charge	0
144813235	Isotope_Atom_Count	0
11940	Defined_Bond_Stereo_Count	0
53861228	Structure_Complexity	61.2
33251	Hydrogen_Bond_Donor_Count	0
542556	Structure_Complexity	308
9800555	Hydrogen_Bond_Donor_Count	3
10221	Molecular_Weight	188.18
274080	Isotope_Atom_Count	0
54057642	Non-hydrogen_Atom_Count	7
151148	Rotatable_Bond_Count	5
628397	Non-hydrogen_Atom_Count	21
16732313	Rotatable_Bond_Count	2
11867	Exact_Mass	173.99867984
111727	Non-hydrogen_Atom_Count	14
10444765	Undefined_Atom_Stereo_Count	0
7059	Undefined_Atom_Stereo_Count	0
522002	Non-hydrogen_Atom_Count	8
6919173	Structure_Complexity	240
42580059	Hydrogen_Bond_Donor_Count	8
20502	Total_Formal_Charge	0
2812423	Defined_Atom_Stereo_Count	0
3970	Covalent_Unit_Count	1
70671195	Defined_Bond_Stereo_Count	0
119095461	Non-hydrogen_Atom_Count	7
16212360	TPSA	40.1
9958041	Covalent_Unit_Count	2
88305	Covalent_Unit_Count	1
520108	Tautomer_Count	2
13235324	Structure_Complexity	179
15027981	XLogP3-AA	1
129821645	Defined_Bond_Stereo_Count	0
4439	Molecular_Weight	751.0
44352909	Undefined_Bond_Stereo_Count	0
5362376	Mono_Isotopic_Weight	444.1485709
37720	Covalent_Unit_Count	1
3067270	Structure_Complexity	343
86154978	Hydrogen_Bond_Acceptor_Count	10
112230	Undefined_Atom_Stereo_Count	0
71456725	Undefined_Bond_Stereo_Count	0
123147	Rotatable_Bond_Count	0
5553	Rotatable_Bond_Count	21
6919051	Hydrogen_Bond_Acceptor_Count	6
25246274	Isotope_Atom_Count	0
22833567	Undefined_Bond_Stereo_Count	0
54502555	Defined_Bond_Stereo_Count	0
79297905	Molecular_Weight	97.12
159866	Defined_Bond_Stereo_Count	0
5282315	Hydrogen_Bond_Donor_Count	4
141024055	Mono_Isotopic_Weight	108.068748264
10964421	Hydrogen_Bond_Donor_Count	1
87532690	Structure_Complexity	83.4
57336812	Defined_Atom_Stereo_Count	0
72378	Hydrogen_Bond_Acceptor_Count	5
11285653	Tautomer_Count	1
52918379	Non-hydrogen_Atom_Count	68
55287417	TPSA	42.2
60846	Isotope_Atom_Count	0
15628	Defined_Bond_Stereo_Count	0
81668	Hydrogen_Bond_Donor_Count	1
996610	XLogP3-AA	3.4
178080	Molecular_Weight	361.4
1062	XLogP3-AA	5.3
13570516	Defined_Atom_Stereo_Count	0
3741048	Undefined_Atom_Stereo_Count	0
81466	Total_Formal_Charge	0
1437837	Total_Formal_Charge	0
405908	Hydrogen_Bond_Donor_Count	2
24825266	Undefined_Atom_Stereo_Count	0
57327016	Hydrogen_Bond_Donor_Count	4
148202	Total_Formal_Charge	0
6603901	Mono_Isotopic_Weight	402.16785316
21889100	Hydrogen_Bond_Acceptor_Count	4
445969	Undefined_Bond_Stereo_Count	0
169	Hydrogen_Bond_Acceptor_Count	4
5359853	Defined_Atom_Stereo_Count	0
433604	Undefined_Bond_Stereo_Count	0
3037456	Non-hydrogen_Atom_Count	35
46203139	Defined_Bond_Stereo_Count	0
53672	Tautomer_Count	1
83678852	Hydrogen_Bond_Acceptor_Count	4
139352	TPSA	54.4
70540665	Defined_Atom_Stereo_Count	0
13519	Covalent_Unit_Count	1
121595921	Mono_Isotopic_Weight	868.56604061
70454767	Hydrogen_Bond_Acceptor_Count	2
123653016	Hydrogen_Bond_Donor_Count	0
8085	Defined_Bond_Stereo_Count	0
30885	Hydrogen_Bond_Acceptor_Count	4
11961	Defined_Bond_Stereo_Count	0
35898	Structure_Complexity	312
6422	Molecular_Weight	114.02
10236037	Molecular_Weight	173.25
59486	Undefined_Atom_Stereo_Count	1
15294	Mono_Isotopic_Weight	164.047344113
1465	Isotope_Atom_Count	0
11655939	Covalent_Unit_Count	1
18827	Total_Formal_Charge	0
2343	Hydrogen_Bond_Donor_Count	2
6437358	Non-hydrogen_Atom_Count	45
10486803	Exact_Mass	98.048012819
6433083	Tautomer_Count	4
91176619	Hydrogen_Bond_Donor_Count	0
11586735	Defined_Atom_Stereo_Count	0
94599	Total_Formal_Charge	0
67591	Structure_Complexity	204
134925337	Total_Formal_Charge	0
1519	Structure_Complexity	853
25171648	Hydrogen_Bond_Donor_Count	0
86851	Molecular_Weight	160.21
72424	Mono_Isotopic_Weight	830.22828114
54419	Structure_Complexity	291
7926	Total_Formal_Charge	0
11105318	TPSA	26
71583051	Structure_Complexity	614
129514	Tautomer_Count	4
42948	Rotatable_Bond_Count	1
571982	XLogP3-AA	6.1
7017101	Exact_Mass	124.063662883
88226977	Undefined_Bond_Stereo_Count	0
3033821	Molecular_Weight	335.4
39176	Mono_Isotopic_Weight	114.104465066
701038	Non-hydrogen_Atom_Count	19
211	XLogP3-AA	0.6
12973	Covalent_Unit_Count	1
92139	Defined_Bond_Stereo_Count	0
4459	Molecular_Weight	302.4
143552208	Molecular_Weight	124.16
5362456	Total_Formal_Charge	0
95228	Structure_Complexity	225
43838	Hydrogen_Bond_Acceptor_Count	3
88209	Isotope_Atom_Count	0
53779	Total_Formal_Charge	0
68736	Exact_Mass	223.06095954
79243	Total_Formal_Charge	0
14172370	Covalent_Unit_Count	1
9957	XLogP3	0.9
98495	Non-hydrogen_Atom_Count	11
12285871	Undefined_Bond_Stereo_Count	0
59295958	Rotatable_Bond_Count	7
3708	Covalent_Unit_Count	1
45085421	Non-hydrogen_Atom_Count	8
13351229	Hydrogen_Bond_Donor_Count	2
34409	Molecular_Weight	352.3
86153841	Structure_Complexity	128
23954	Isotope_Atom_Count	0
683253	Undefined_Bond_Stereo_Count	0
6763	Exact_Mass	208.052429494
19003653	TPSA	12
156212	Defined_Bond_Stereo_Count	0
10419	Mono_Isotopic_Weight	54.0469501914
74956	Non-hydrogen_Atom_Count	7
60196440	Undefined_Bond_Stereo_Count	0
64107	Isotope_Atom_Count	0
72207931	Isotope_Atom_Count	0
13530219	Mono_Isotopic_Weight	110.073164938
9893	Covalent_Unit_Count	1
135392570	Molecular_Weight	81.12
17475	Defined_Atom_Stereo_Count	0
12302694	Structure_Complexity	382
142186967	Undefined_Atom_Stereo_Count	4
101616201	Defined_Bond_Stereo_Count	0
64369	Defined_Bond_Stereo_Count	0
67500	Exact_Mass	135.01427034
27670	Defined_Atom_Stereo_Count	0
49865355	Undefined_Atom_Stereo_Count	0
54587655	Rotatable_Bond_Count	4
23278030	Hydrogen_Bond_Donor_Count	1
11674455	Defined_Bond_Stereo_Count	0
3801	Total_Formal_Charge	1
23667626	Covalent_Unit_Count	7
4571243	XLogP3-AA	4.2
62802	Non-hydrogen_Atom_Count	16
5001396	Hydrogen_Bond_Donor_Count	0
107879	Defined_Atom_Stereo_Count	0
87704872	Undefined_Atom_Stereo_Count	1
2105	Exact_Mass	189.07495584
447043	Mono_Isotopic_Weight	748.50852574
10937610	Isotope_Atom_Count	0
3389	Defined_Atom_Stereo_Count	0
6440764	Hydrogen_Bond_Acceptor_Count	10
841083	Mono_Isotopic_Weight	250.0509053
5288595	Hydrogen_Bond_Acceptor_Count	9
3003191	Molecular_Weight	324.4
904	Hydrogen_Bond_Acceptor_Count	1
88901652	Exact_Mass	113.047678466
76415	Total_Formal_Charge	0
11639859	Hydrogen_Bond_Donor_Count	1
74561	TPSA	54.7
25115964	Rotatable_Bond_Count	5
73513	Total_Formal_Charge	0
527559	Isotope_Atom_Count	0
534283	Structure_Complexity	64.6
60154326	Non-hydrogen_Atom_Count	24
174174	Molecular_Weight	289.4
11083864	Hydrogen_Bond_Donor_Count	1
22280261	Rotatable_Bond_Count	1
10453145	XLogP3-AA	3.8
45357148	Structure_Complexity	3220
5365811	XLogP3-AA	1.2
11529	Exact_Mass	130.099379685
12389634	Defined_Atom_Stereo_Count	0
23064530	Undefined_Atom_Stereo_Count	0
10176082	Rotatable_Bond_Count	0
137474475	Covalent_Unit_Count	1
140999	Isotope_Atom_Count	0
25271818	Structure_Complexity	482
2778574	Total_Formal_Charge	0
44134800	Undefined_Atom_Stereo_Count	0
188914	Exact_Mass	274.1003540
17860889	Undefined_Atom_Stereo_Count	0
53705537	Defined_Atom_Stereo_Count	0
5270603	Undefined_Atom_Stereo_Count	0
18720	Isotope_Atom_Count	0
25001002	Rotatable_Bond_Count	12
15004	Rotatable_Bond_Count	11
7115	TPSA	0
101988841	Non-hydrogen_Atom_Count	1
10270986	Hydrogen_Bond_Acceptor_Count	8
61534	Undefined_Bond_Stereo_Count	0
523	Defined_Atom_Stereo_Count	0
439503	Total_Formal_Charge	0
16760139	Mono_Isotopic_Weight	152.01126970
83167	Mono_Isotopic_Weight	209.04365571
11126210	Total_Formal_Charge	0
14512	Molecular_Weight	112.09
41092	Defined_Atom_Stereo_Count	0
3854666	Rotatable_Bond_Count	2
24181458	Undefined_Bond_Stereo_Count	0
30199	Non-hydrogen_Atom_Count	12
23080446	Undefined_Bond_Stereo_Count	0
19951	Covalent_Unit_Count	1
11689	Mono_Isotopic_Weight	487.88950
66357	Undefined_Atom_Stereo_Count	0
71679	Isotope_Atom_Count	0
1615208	Hydrogen_Bond_Acceptor_Count	1
53384918	Rotatable_Bond_Count	4
68674	Hydrogen_Bond_Acceptor_Count	4
12968	Molecular_Weight	189.32
441337	Undefined_Bond_Stereo_Count	0
18730079	Undefined_Bond_Stereo_Count	0
11691484	XLogP3-AA	2.5
89292361	Rotatable_Bond_Count	2
44392074	Structure_Complexity	752
156588151	Isotope_Atom_Count	0
18175	XLogP3-AA	2
16695	Hydrogen_Bond_Acceptor_Count	0
572516	Defined_Atom_Stereo_Count	0
61614676	TPSA	71.1
119086019	TPSA	61.3
14069226	Molecular_Weight	104.11
5323974	TPSA	50.7
16211115	Rotatable_Bond_Count	1
21805653	Structure_Complexity	72.9
78297	Defined_Atom_Stereo_Count	0
72070	Defined_Bond_Stereo_Count	0
22344	Rotatable_Bond_Count	0
23694671	Undefined_Bond_Stereo_Count	0
24972597	Mono_Isotopic_Weight	113.084063974
67978393	Molecular_Weight	96.13
25014511	Defined_Bond_Stereo_Count	0
636403	Mono_Isotopic_Weight	570.35565393
54203587	Hydrogen_Bond_Donor_Count	0
5321318	Covalent_Unit_Count	1
46239	Molecular_Weight	275.77
16398	Hydrogen_Bond_Acceptor_Count	1
5565	Defined_Atom_Stereo_Count	0
3683036	Undefined_Bond_Stereo_Count	0
4068	Structure_Complexity	801
11815	Isotope_Atom_Count	0
17277	Undefined_Atom_Stereo_Count	0
82322	Undefined_Atom_Stereo_Count	0
19373541	Molecular_Weight	116.07
91864743	Mono_Isotopic_Weight	521.8583111
10176113	Hydrogen_Bond_Donor_Count	0
6791	Undefined_Bond_Stereo_Count	0
135489810	Structure_Complexity	140
118360945	Hydrogen_Bond_Donor_Count	0
158800	Covalent_Unit_Count	1
466959	Undefined_Atom_Stereo_Count	0
20931	Mono_Isotopic_Weight	118.099379685
13799	Covalent_Unit_Count	2
65055	Defined_Atom_Stereo_Count	0
5311211	Hydrogen_Bond_Acceptor_Count	3
18852	Hydrogen_Bond_Donor_Count	0
8108	Tautomer_Count	1
23629960	Hydrogen_Bond_Donor_Count	2
53237541	Undefined_Atom_Stereo_Count	1
12309462	Hydrogen_Bond_Acceptor_Count	4
12560918	Structure_Complexity	68.5
21662383	Hydrogen_Bond_Donor_Count	0
138107840	Structure_Complexity	817
47304	Mono_Isotopic_Weight	258.173213330
163628725	Undefined_Bond_Stereo_Count	0
163838	Exact_Mass	713.2632801
82167	Undefined_Bond_Stereo_Count	0
71312582	Exact_Mass	1264.0493678
23635314	Defined_Atom_Stereo_Count	0
3493	Covalent_Unit_Count	1
5702065	Hydrogen_Bond_Acceptor_Count	4
6429604	Covalent_Unit_Count	1
43594	Isotope_Atom_Count	0
366731	Total_Formal_Charge	0
36688207	Molecular_Weight	347.5
95566291	Molecular_Weight	416.6
5351564	Molecular_Weight	400.3
70500258	Defined_Atom_Stereo_Count	0
442460	Non-hydrogen_Atom_Count	14
61081	Isotope_Atom_Count	0
131664126	Defined_Atom_Stereo_Count	0
64120439	Isotope_Atom_Count	0
18430686	Isotope_Atom_Count	0
51579	XLogP3	2.6
22398442	Non-hydrogen_Atom_Count	8
6868	Total_Formal_Charge	0
57473	TPSA	47.6
11170938	Mono_Isotopic_Weight	112.074896272
21662383	Hydrogen_Bond_Acceptor_Count	1
447360	XLogP3-AA	2.1
73160420	Molecular_Weight	1349.5
7525	Tautomer_Count	1
4109	Defined_Bond_Stereo_Count	0
132917192	Covalent_Unit_Count	1
16750094	Defined_Bond_Stereo_Count	0
138991760	Undefined_Bond_Stereo_Count	0
637584	Covalent_Unit_Count	1
12344797	Rotatable_Bond_Count	1
59712821	Hydrogen_Bond_Donor_Count	0
19352068	Total_Formal_Charge	0
10062737	Total_Formal_Charge	0
158144361	Non-hydrogen_Atom_Count	7
67350	Exact_Mass	266.12665706
9244	Rotatable_Bond_Count	0
91700388	XLogP3-AA	2.5
21447199	Structure_Complexity	66.5
118216	Undefined_Atom_Stereo_Count	1
56835143	Undefined_Atom_Stereo_Count	1
10923804	TPSA	85.8
71624343	Total_Formal_Charge	0
11796	XLogP3	3
14436067	Molecular_Weight	103.12
62274	Rotatable_Bond_Count	0
83270	Exact_Mass	191.094628657
65589	Molecular_Weight	296.4
73233	Covalent_Unit_Count	1
208880	Non-hydrogen_Atom_Count	8
70249	Rotatable_Bond_Count	8
139054114	Total_Formal_Charge	0
2162	XLogP3	3
9811837	Hydrogen_Bond_Acceptor_Count	11
31255	Covalent_Unit_Count	2
42928	Undefined_Bond_Stereo_Count	1
91474	Total_Formal_Charge	0
72758138	Isotope_Atom_Count	0
65328	Defined_Bond_Stereo_Count	0
643216	Hydrogen_Bond_Acceptor_Count	3
16733482	XLogP3-AA	2.8
10021510	Hydrogen_Bond_Acceptor_Count	4
11492406	Undefined_Atom_Stereo_Count	0
76366	Rotatable_Bond_Count	36
83639	Structure_Complexity	224
133109198	Mono_Isotopic_Weight	748.50852574
21805682	Hydrogen_Bond_Acceptor_Count	2
140653	Undefined_Atom_Stereo_Count	1
961	Tautomer_Count	1
511883	Total_Formal_Charge	0
12285893	Non-hydrogen_Atom_Count	12
9971484	Covalent_Unit_Count	1
4075159	Structure_Complexity	446
42405	XLogP3-AA	3.8
174111	Mono_Isotopic_Weight	194.940932
23021453	TPSA	67.9
96776	Isotope_Atom_Count	0
11416654	TPSA	125
163771360	Covalent_Unit_Count	1
90753995	Total_Formal_Charge	0
6453603	Defined_Atom_Stereo_Count	0
54475034	Undefined_Bond_Stereo_Count	0
53340426	Isotope_Atom_Count	0
94865124	Covalent_Unit_Count	1
24968	Undefined_Bond_Stereo_Count	0
60196378	Undefined_Bond_Stereo_Count	0
3816	Hydrogen_Bond_Donor_Count	3
85489	TPSA	77.9
78959	Total_Formal_Charge	0
118975693	Hydrogen_Bond_Acceptor_Count	2
5375	Defined_Atom_Stereo_Count	0
15900	Covalent_Unit_Count	1
27234	Isotope_Atom_Count	0
16760577	Defined_Bond_Stereo_Count	0
276561	Isotope_Atom_Count	0
6604492	Rotatable_Bond_Count	7
20691	Mono_Isotopic_Weight	284.282763776
135436537	Hydrogen_Bond_Acceptor_Count	9
15209693	Undefined_Atom_Stereo_Count	0
4645224	Molecular_Weight	165.12
2531	Mono_Isotopic_Weight	648.994155
144550270	Rotatable_Bond_Count	0
22836365	Covalent_Unit_Count	1
10820489	Hydrogen_Bond_Acceptor_Count	1
6506	XLogP3-AA	0.1
59471599	Isotope_Atom_Count	0
2435	Defined_Bond_Stereo_Count	0
84648	Hydrogen_Bond_Acceptor_Count	3
2898	Total_Formal_Charge	0
79267	Covalent_Unit_Count	1
96201	Undefined_Atom_Stereo_Count	0
84979	Exact_Mass	126.90308
5534	Hydrogen_Bond_Donor_Count	0
2543	Total_Formal_Charge	0
27926	Isotope_Atom_Count	0
67543	Hydrogen_Bond_Acceptor_Count	16
3876660	TPSA	40
1566	Total_Formal_Charge	0
10883551	Exact_Mass	100.052429494
3103	Undefined_Bond_Stereo_Count	0
41465	Exact_Mass	256.240230259
11305985	Isotope_Atom_Count	0
51038316	Tautomer_Count	9
5746	Defined_Bond_Stereo_Count	0
87468707	Covalent_Unit_Count	1
58935140	TPSA	29.1
6440180	Defined_Atom_Stereo_Count	4
83883	Mono_Isotopic_Weight	313.13728131
65628	Defined_Atom_Stereo_Count	0
557134	Defined_Atom_Stereo_Count	0
20209436	Non-hydrogen_Atom_Count	38
4345	Non-hydrogen_Atom_Count	26
9859	Mono_Isotopic_Weight	262.24720734
7451	Rotatable_Bond_Count	2
10407503	Rotatable_Bond_Count	4
245729	Defined_Bond_Stereo_Count	0
24642	Defined_Atom_Stereo_Count	0
94377	Structure_Complexity	190
60156	Hydrogen_Bond_Acceptor_Count	4
61503	Defined_Atom_Stereo_Count	1
53364498	Covalent_Unit_Count	1
102102855	Mono_Isotopic_Weight	152.05589216
11850899	Non-hydrogen_Atom_Count	24
123909	Undefined_Atom_Stereo_Count	1
57123750	Structure_Complexity	2330
11659	Mono_Isotopic_Weight	239.77438
14200855	Defined_Bond_Stereo_Count	0
7059454	Rotatable_Bond_Count	5
165646906	Molecular_Weight	108.18
443732	Molecular_Weight	71.12
9808333	Exact_Mass	303.14705815
159924	TPSA	92.1
2734040	Mono_Isotopic_Weight	373.895139
208916	Non-hydrogen_Atom_Count	14
68110	Defined_Bond_Stereo_Count	0
110862	Defined_Bond_Stereo_Count	0
10958189	Rotatable_Bond_Count	7
32804	Rotatable_Bond_Count	0
135484646	Hydrogen_Bond_Acceptor_Count	2
135415868	Structure_Complexity	865
146474256	Molecular_Weight	100.12
925253	Covalent_Unit_Count	1
147201521	Defined_Atom_Stereo_Count	0
694358	Non-hydrogen_Atom_Count	20
23029	TPSA	0
85178	Molecular_Weight	337.6
61104	Defined_Bond_Stereo_Count	0
10409873	Tautomer_Count	2
6273	Hydrogen_Bond_Donor_Count	0
87714328	Rotatable_Bond_Count	2
53870	Non-hydrogen_Atom_Count	18
97373	Isotope_Atom_Count	0
36890	Exact_Mass	371.14812078
4255	Undefined_Bond_Stereo_Count	0
164576789	Undefined_Bond_Stereo_Count	1
5311092	Undefined_Bond_Stereo_Count	0
13140652	Defined_Bond_Stereo_Count	0
22639502	Undefined_Bond_Stereo_Count	0
135415868	Molecular_Weight	459.5
23695850	Undefined_Bond_Stereo_Count	0
9543187	Covalent_Unit_Count	1
12465459	Non-hydrogen_Atom_Count	8
92043128	Hydrogen_Bond_Donor_Count	1
58506875	Total_Formal_Charge	0
4278	Non-hydrogen_Atom_Count	12
51025660	Defined_Bond_Stereo_Count	0
112711232	Undefined_Atom_Stereo_Count	0
20770532	Mono_Isotopic_Weight	111.068413911
5281250	Hydrogen_Bond_Donor_Count	0
134693241	Mono_Isotopic_Weight	383.20563565
1967	Mono_Isotopic_Weight	326.18819469
146049032	Defined_Bond_Stereo_Count	0
11966124	Rotatable_Bond_Count	32
61370	Exact_Mass	100.088815002
54682507	Exact_Mass	324.09977361
10192685	Undefined_Bond_Stereo_Count	0
53393558	Exact_Mass	220.182715385
29084	Rotatable_Bond_Count	2
31263	Defined_Atom_Stereo_Count	0
39187	Undefined_Bond_Stereo_Count	0
5057599	Hydrogen_Bond_Donor_Count	2
25563891	Hydrogen_Bond_Acceptor_Count	2
86054107	XLogP3-AA	4.5
7831	Defined_Bond_Stereo_Count	0
6896	Structure_Complexity	80.6
121233058	Defined_Bond_Stereo_Count	0
136307	Defined_Bond_Stereo_Count	0
22184652	Non-hydrogen_Atom_Count	36
68938028	Rotatable_Bond_Count	8
10080395	Molecular_Weight	120.58
165491	Exact_Mass	665.10096317
11851	Mono_Isotopic_Weight	178.04773803
91753565	Covalent_Unit_Count	1
4472	Covalent_Unit_Count	1
129600765	Covalent_Unit_Count	1
31762	Structure_Complexity	522
129827902	Defined_Bond_Stereo_Count	0
16122612	Hydrogen_Bond_Donor_Count	1
25185057	Exact_Mass	507.30184471
9158	XLogP3	6.4
10931378	Undefined_Bond_Stereo_Count	0
101544	Hydrogen_Bond_Donor_Count	5
21118312	Isotope_Atom_Count	0
234818	Total_Formal_Charge	0
435459	Tautomer_Count	1
7195	Undefined_Atom_Stereo_Count	0
11309	TPSA	0
46783800	Total_Formal_Charge	0
44401138	Mono_Isotopic_Weight	421.16377084
14647552	Molecular_Weight	133.23
16040270	XLogP3-AA	2.6
102967	Defined_Atom_Stereo_Count	0
2211	Molecular_Weight	262.4
3651	Rotatable_Bond_Count	2
66679	Isotope_Atom_Count	0
70688569	Structure_Complexity	688
105709961	Total_Formal_Charge	0
148007841	Undefined_Bond_Stereo_Count	0
4042	XLogP3	4.1
442882	Covalent_Unit_Count	1
53943526	Rotatable_Bond_Count	0
65659	Total_Formal_Charge	0
40302	Molecular_Weight	176.24
98210	Total_Formal_Charge	0
9093	Non-hydrogen_Atom_Count	10
12871376	Mono_Isotopic_Weight	111.068413911
95292	Defined_Atom_Stereo_Count	0
447077	TPSA	83.4
216324	Hydrogen_Bond_Donor_Count	1
70339927	Molecular_Weight	84.12
4713	Rotatable_Bond_Count	2
31136	Total_Formal_Charge	0
21684469	Hydrogen_Bond_Acceptor_Count	3
3165	Structure_Complexity	364
440121	Undefined_Bond_Stereo_Count	0
83907	Structure_Complexity	203
70754	Hydrogen_Bond_Acceptor_Count	1
29976	Undefined_Bond_Stereo_Count	0
3541	Defined_Bond_Stereo_Count	0
253	Hydrogen_Bond_Donor_Count	3
11476771	Rotatable_Bond_Count	5
20727813	Mono_Isotopic_Weight	80.062600255
145819	TPSA	55.7
2415	Total_Formal_Charge	0
2434	Hydrogen_Bond_Acceptor_Count	14
446155	Non-hydrogen_Atom_Count	30
71308903	XLogP3	2.1
130554629	Defined_Bond_Stereo_Count	0
9853710	Molecular_Weight	774.9
71343993	Mono_Isotopic_Weight	103.063328530
15188270	Defined_Bond_Stereo_Count	0
16211197	Undefined_Bond_Stereo_Count	0
394156	Hydrogen_Bond_Donor_Count	1
657690	Undefined_Atom_Stereo_Count	0
414243	Hydrogen_Bond_Donor_Count	2
31226	TPSA	26.3
5380976	Non-hydrogen_Atom_Count	19
158770620	Non-hydrogen_Atom_Count	8
15194034	Defined_Bond_Stereo_Count	0
2884	Defined_Atom_Stereo_Count	0
11182591	Hydrogen_Bond_Acceptor_Count	2
24181805	Non-hydrogen_Atom_Count	28
141008392	Total_Formal_Charge	0
91041862	Isotope_Atom_Count	0
21492268	Defined_Atom_Stereo_Count	0
24822701	Undefined_Atom_Stereo_Count	0
3035406	Rotatable_Bond_Count	23
12431582	Undefined_Bond_Stereo_Count	0
44452442	Undefined_Atom_Stereo_Count	1
3506	Defined_Atom_Stereo_Count	0
77941	Hydrogen_Bond_Donor_Count	1
131167766	Total_Formal_Charge	0
11670791	Undefined_Atom_Stereo_Count	0
87474167	TPSA	35.8
61361	Molecular_Weight	190.24
18004304	Hydrogen_Bond_Acceptor_Count	3
58490287	Defined_Atom_Stereo_Count	0
449355	Hydrogen_Bond_Acceptor_Count	9
53785673	XLogP3-AA	0.5
7149	Non-hydrogen_Atom_Count	10
15188270	TPSA	12
11681509	Covalent_Unit_Count	1
25151504	Defined_Bond_Stereo_Count	0
22108	Hydrogen_Bond_Acceptor_Count	3
82261	Covalent_Unit_Count	1
471583	Hydrogen_Bond_Acceptor_Count	8
53494972	Isotope_Atom_Count	0
14142596	Defined_Bond_Stereo_Count	0
13349549	Total_Formal_Charge	0
22817455	Isotope_Atom_Count	0
533994	Covalent_Unit_Count	1
149086	Undefined_Atom_Stereo_Count	0
192711	Non-hydrogen_Atom_Count	22
15260	Total_Formal_Charge	0
16834	Total_Formal_Charge	0
22731481	Rotatable_Bond_Count	1
5174	XLogP3	3.7
21482439	Defined_Bond_Stereo_Count	0
53946395	Defined_Atom_Stereo_Count	0
31260	Undefined_Bond_Stereo_Count	0
9884642	XLogP3	4.1
11985	Total_Formal_Charge	0
23675339	Undefined_Bond_Stereo_Count	0
60196372	Undefined_Bond_Stereo_Count	0
524646	Undefined_Atom_Stereo_Count	2
20798667	Structure_Complexity	48.1
49784945	Molecular_Weight	377.4
637776	TPSA	18.5
85296	Molecular_Weight	147.24
12285877	Non-hydrogen_Atom_Count	12
91623917	Defined_Atom_Stereo_Count	0
142647132	Hydrogen_Bond_Acceptor_Count	3
165363121	Mono_Isotopic_Weight	273.0781231
8439	Exact_Mass	162.068079557
16217526	Defined_Atom_Stereo_Count	12
690730	Structure_Complexity	210
52987646	Mono_Isotopic_Weight	432.3204190
21702414	Defined_Bond_Stereo_Count	0
12317612	XLogP3-AA	1
13757963	Covalent_Unit_Count	1
65370	Total_Formal_Charge	0
14288779	Defined_Bond_Stereo_Count	0
82938	Non-hydrogen_Atom_Count	3
19842676	Undefined_Atom_Stereo_Count	1
8296	Defined_Bond_Stereo_Count	0
116119794	Covalent_Unit_Count	1
53465918	Molecular_Weight	410.5
77687	Undefined_Atom_Stereo_Count	0
101050964	XLogP3-AA	1.1
7179	Hydrogen_Bond_Donor_Count	0
91738	Hydrogen_Bond_Donor_Count	1
65157	Structure_Complexity	739
88709052	Exact_Mass	103.063328530
53743621	Hydrogen_Bond_Acceptor_Count	2
9895035	Defined_Bond_Stereo_Count	0
1261	Undefined_Atom_Stereo_Count	1
443040	TPSA	37.4
14231	Non-hydrogen_Atom_Count	10
80821	Total_Formal_Charge	0
610072	XLogP3-AA	4
49862768	XLogP3-AA	4.7
5460048	Structure_Complexity	133
7436	Covalent_Unit_Count	1
9909392	Non-hydrogen_Atom_Count	29
9818021	Total_Formal_Charge	0
39976	Defined_Atom_Stereo_Count	0
21037713	Molecular_Weight	397.4
19027761	Total_Formal_Charge	0
10883	Hydrogen_Bond_Acceptor_Count	3
165141	Exact_Mass	73.052763847
118701038	TPSA	0
18777	Mono_Isotopic_Weight	637.10897582
121734	Hydrogen_Bond_Donor_Count	1
81512	Rotatable_Bond_Count	0
138733	Hydrogen_Bond_Acceptor_Count	1
219833	Tautomer_Count	1
25273237	Hydrogen_Bond_Donor_Count	2
14263148	Defined_Atom_Stereo_Count	0
71454296	Hydrogen_Bond_Donor_Count	2
10044	Exact_Mass	100.125200510
135400184	Hydrogen_Bond_Donor_Count	2
11712649	Molecular_Weight	476.9
5078130	Defined_Atom_Stereo_Count	0
2837	Undefined_Atom_Stereo_Count	5
153969622	Covalent_Unit_Count	1
58116879	Undefined_Atom_Stereo_Count	1
101254310	Rotatable_Bond_Count	1
636377	Structure_Complexity	780
406167	TPSA	120
10198924	Defined_Bond_Stereo_Count	0
3085326	Undefined_Bond_Stereo_Count	0
145705668	Undefined_Bond_Stereo_Count	2
14379827	Total_Formal_Charge	0
145130580	Exact_Mass	96.057514874
93101	Tautomer_Count	1
865	Rotatable_Bond_Count	6
6438150	Mono_Isotopic_Weight	418.19915329
7861	Undefined_Bond_Stereo_Count	0
618566	Exact_Mass	428.99761
154183660	Rotatable_Bond_Count	2
23706211	Defined_Bond_Stereo_Count	0
13245696	Total_Formal_Charge	0
89138978	Defined_Bond_Stereo_Count	0
57340110	Defined_Atom_Stereo_Count	0
3718378	Rotatable_Bond_Count	0
7043897	Structure_Complexity	151
72016	Mono_Isotopic_Weight	216.126263138
113606	Molecular_Weight	195.17
9823781	Defined_Atom_Stereo_Count	1
121734	XLogP3-AA	2.3
2724995	Defined_Bond_Stereo_Count	0
1858	Total_Formal_Charge	0
5376979	Structure_Complexity	305
7026	Hydrogen_Bond_Acceptor_Count	4
16495	Hydrogen_Bond_Donor_Count	0
12303662	Isotope_Atom_Count	0
5355863	Undefined_Bond_Stereo_Count	0
23525993	Rotatable_Bond_Count	3
13766702	Molecular_Weight	564.7
163409779	Hydrogen_Bond_Acceptor_Count	4
172717	Undefined_Bond_Stereo_Count	0
46936582	Hydrogen_Bond_Donor_Count	6
740	Covalent_Unit_Count	1
5464097	Total_Formal_Charge	0
53243273	Mono_Isotopic_Weight	115.063328530
53956290	XLogP3-AA	3
4306127	Defined_Bond_Stereo_Count	0
441244	Mono_Isotopic_Weight	355.94971
6420039	Mono_Isotopic_Weight	315.1601214
69280558	Mono_Isotopic_Weight	115.038176411
20553	Molecular_Weight	85.10
53717135	Exact_Mass	98.073164938
170234	Undefined_Atom_Stereo_Count	0
104610	Total_Formal_Charge	0
3635	Undefined_Bond_Stereo_Count	0
13398	Defined_Atom_Stereo_Count	0
72326	Defined_Atom_Stereo_Count	10
6028462	Molecular_Weight	84.12
46926360	Hydrogen_Bond_Acceptor_Count	7
9936727	Exact_Mass	527.27304650
91414	Covalent_Unit_Count	1
18505590	Hydrogen_Bond_Acceptor_Count	3
5311429	Mono_Isotopic_Weight	173.10519334
65761	Molecular_Weight	193.22
39650	Isotope_Atom_Count	0
3383476	Hydrogen_Bond_Acceptor_Count	12
7083	Total_Formal_Charge	0
46936967	Mono_Isotopic_Weight	359.966246
7062	Undefined_Atom_Stereo_Count	0
24899382	Covalent_Unit_Count	1
75640	Hydrogen_Bond_Acceptor_Count	0
6850813	Exact_Mass	255.162314293
12816253	Molecular_Weight	117.15
21058180	Undefined_Bond_Stereo_Count	0
3760	Mono_Isotopic_Weight	413.986024
20607721	Exact_Mass	94.078250319
24892716	Defined_Bond_Stereo_Count	3
498233	Undefined_Bond_Stereo_Count	0
6321432	Mono_Isotopic_Weight	645.23224432
11152667	XLogP3-AA	2.3
176096	XLogP3	2.7
12200	Tautomer_Count	1
2309	XLogP3	2
5709	Hydrogen_Bond_Acceptor_Count	1
155144825	Total_Formal_Charge	0
23725095	Undefined_Atom_Stereo_Count	0
54808	Covalent_Unit_Count	1
35023	Total_Formal_Charge	0
196879	Defined_Bond_Stereo_Count	0
100165	Rotatable_Bond_Count	0
25007063	Non-hydrogen_Atom_Count	31
54	Isotope_Atom_Count	0
5282948	Hydrogen_Bond_Donor_Count	2
25137873	Molecular_Weight	767.0
19601937	Rotatable_Bond_Count	26
143670559	Undefined_Atom_Stereo_Count	2
8819	Hydrogen_Bond_Acceptor_Count	6
6546	Isotope_Atom_Count	0
60931	Molecular_Weight	393.5
17963208	XLogP3-AA	4.8
65309	Defined_Bond_Stereo_Count	0
21976318	XLogP3-AA	3.2
11073379	Covalent_Unit_Count	1
84647610	Covalent_Unit_Count	1
2608576	Total_Formal_Charge	0
53952865	Defined_Atom_Stereo_Count	0
2968	Total_Formal_Charge	2
4774	XLogP3-AA	3.3
1549107	Structure_Complexity	265
12205	Hydrogen_Bond_Donor_Count	4
35717	Exact_Mass	221.08993720
2206	Undefined_Atom_Stereo_Count	0
46782942	Mono_Isotopic_Weight	513.7957108
65043	Undefined_Atom_Stereo_Count	0
11620055	Defined_Atom_Stereo_Count	0
40839	Covalent_Unit_Count	1
9219	Molecular_Weight	118.14
3045407	Undefined_Bond_Stereo_Count	0
10930	Non-hydrogen_Atom_Count	7
53359023	Undefined_Atom_Stereo_Count	0
665063	Rotatable_Bond_Count	4
137319701	Non-hydrogen_Atom_Count	28
9561131	Molecular_Weight	170.18
11502	Undefined_Bond_Stereo_Count	1
5948958	Non-hydrogen_Atom_Count	31
64945	Rotatable_Bond_Count	1
3073	TPSA	35.5
4168142	Hydrogen_Bond_Acceptor_Count	14
64937	Defined_Atom_Stereo_Count	0
20571541	Hydrogen_Bond_Donor_Count	1
10622871	XLogP3-AA	1.6
24561	Molecular_Weight	143.32
24194381	Defined_Bond_Stereo_Count	0
94179	Undefined_Atom_Stereo_Count	0
4841	TPSA	46.5
86614862	Defined_Bond_Stereo_Count	0
18569	Non-hydrogen_Atom_Count	6
69332464	Molecular_Weight	112.13
4618	Defined_Atom_Stereo_Count	0
5280795	Defined_Bond_Stereo_Count	2
5479537	Covalent_Unit_Count	1
131704316	Exact_Mass	898.40871
139059144	Isotope_Atom_Count	0
182176	XLogP3	0.3
10778228	Hydrogen_Bond_Donor_Count	3
3083542	Molecular_Weight	400.5
157706	Covalent_Unit_Count	1
60209624	Mono_Isotopic_Weight	313.15387487
23397	Hydrogen_Bond_Acceptor_Count	2
71124	Isotope_Atom_Count	0
447966	Isotope_Atom_Count	0
3917956	Molecular_Weight	201.00
45086609	Structure_Complexity	170
11126249	Mono_Isotopic_Weight	124.088815002
13600903	Undefined_Atom_Stereo_Count	0
62325	Covalent_Unit_Count	1
160817	Hydrogen_Bond_Donor_Count	1
11974	XLogP3-AA	3.2
15179723	Structure_Complexity	62.7
16212317	Mono_Isotopic_Weight	405.1343006
11840927	Total_Formal_Charge	0
12709	Hydrogen_Bond_Donor_Count	0
66766582	Defined_Atom_Stereo_Count	0
81981	Tautomer_Count	1
4098	Hydrogen_Bond_Acceptor_Count	4
5282401	Defined_Atom_Stereo_Count	0
91754427	Exact_Mass	726.07603
10345790	Non-hydrogen_Atom_Count	32
483	Structure_Complexity	428
17004	Covalent_Unit_Count	1
57066209	Non-hydrogen_Atom_Count	8
124708040	Rotatable_Bond_Count	4
57398260	Hydrogen_Bond_Donor_Count	2
573592	Undefined_Bond_Stereo_Count	0
131872	Isotope_Atom_Count	0
604519	Covalent_Unit_Count	1
119590	Undefined_Atom_Stereo_Count	0
22404489	Covalent_Unit_Count	1
25021359	Structure_Complexity	233
739374	Non-hydrogen_Atom_Count	16
61631	Hydrogen_Bond_Acceptor_Count	2
12358320	Hydrogen_Bond_Donor_Count	4
49868036	Non-hydrogen_Atom_Count	93
9879368	Exact_Mass	263.167399674
21470	Defined_Atom_Stereo_Count	2
5534	Tautomer_Count	1
16080117	Rotatable_Bond_Count	2
136086851	Covalent_Unit_Count	2
441856	Tautomer_Count	1
3081938	Non-hydrogen_Atom_Count	16
134694678	Isotope_Atom_Count	0
145994868	TPSA	1390
11007841	TPSA	25.8
812042	Non-hydrogen_Atom_Count	26
130845868	Total_Formal_Charge	0
15710945	Undefined_Bond_Stereo_Count	0
55285488	Undefined_Atom_Stereo_Count	0
113415	XLogP3-AA	9
71777705	Defined_Atom_Stereo_Count	0
54682651	Hydrogen_Bond_Donor_Count	1
13418386	Molecular_Weight	112.17
11601544	Hydrogen_Bond_Acceptor_Count	2
36054	Undefined_Atom_Stereo_Count	1
11101	Total_Formal_Charge	0
5283324	Total_Formal_Charge	0
5355858	Tautomer_Count	1
745	Total_Formal_Charge	0
22812306	Total_Formal_Charge	0
13387	Covalent_Unit_Count	1
6704	Covalent_Unit_Count	1
25355	Hydrogen_Bond_Donor_Count	0
56672296	Exact_Mass	396.15101554
10231705	Defined_Atom_Stereo_Count	0
24229456	Total_Formal_Charge	0
72142	Rotatable_Bond_Count	5
74068	XLogP3-AA	2.6
3325	Hydrogen_Bond_Donor_Count	4
13220626	Undefined_Atom_Stereo_Count	4
14480677	Structure_Complexity	355
13643838	Non-hydrogen_Atom_Count	8
46552	Defined_Bond_Stereo_Count	0
66425	Total_Formal_Charge	0
117846599	Rotatable_Bond_Count	4
8679	Defined_Atom_Stereo_Count	0
5361848	XLogP3	0
107973	Rotatable_Bond_Count	5
93193	Defined_Bond_Stereo_Count	0
71167	Defined_Atom_Stereo_Count	0
19392414	Defined_Bond_Stereo_Count	0
136796	Defined_Bond_Stereo_Count	0
8413	TPSA	52
625469	TPSA	151
3033673	Hydrogen_Bond_Donor_Count	2
11351021	Undefined_Bond_Stereo_Count	0
281995	Hydrogen_Bond_Donor_Count	0
102	Structure_Complexity	83
71191	Isotope_Atom_Count	0
105427064	Mono_Isotopic_Weight	116.047344113
3126	XLogP3-AA	5.8
980806	Structure_Complexity	618
533427	Undefined_Bond_Stereo_Count	1
953	Structure_Complexity	200
2777083	Molecular_Weight	126.08
23925	Undefined_Bond_Stereo_Count	0
10308720	TPSA	89.6
5485220	Defined_Atom_Stereo_Count	1
10125362	XLogP3-AA	3.4
66707439	Hydrogen_Bond_Acceptor_Count	6
98810	Rotatable_Bond_Count	5
56955186	Covalent_Unit_Count	1
11829369	Hydrogen_Bond_Acceptor_Count	1
123867503	Defined_Bond_Stereo_Count	0
69109362	Hydrogen_Bond_Acceptor_Count	3
68666	Non-hydrogen_Atom_Count	31
146159199	Defined_Atom_Stereo_Count	3
6335951	Undefined_Atom_Stereo_Count	0
72014	Covalent_Unit_Count	1
451674	Rotatable_Bond_Count	4
68700720	Undefined_Atom_Stereo_Count	0
123348667	Non-hydrogen_Atom_Count	8
54099775	Non-hydrogen_Atom_Count	8
62406	Hydrogen_Bond_Donor_Count	1
77603	XLogP3-AA	0.5
39622	Covalent_Unit_Count	1
10288191	TPSA	88.4
5324	Rotatable_Bond_Count	2
5352693	Total_Formal_Charge	0
69215	TPSA	52.6
91747	Hydrogen_Bond_Acceptor_Count	7
60627	Hydrogen_Bond_Donor_Count	1
12443366	Undefined_Atom_Stereo_Count	0
54583833	TPSA	34.2
21534	Hydrogen_Bond_Donor_Count	2
2133	Undefined_Bond_Stereo_Count	0
446066	Rotatable_Bond_Count	36
12374	Undefined_Atom_Stereo_Count	0
40469421	Undefined_Atom_Stereo_Count	0
135403802	Structure_Complexity	645
6919175	Undefined_Bond_Stereo_Count	0
10250	Hydrogen_Bond_Donor_Count	2
96772	Total_Formal_Charge	0
11953	Covalent_Unit_Count	1
9094	Rotatable_Bond_Count	0
2723789	Tautomer_Count	3
87962	Mono_Isotopic_Weight	205.146664230
118318030	Defined_Atom_Stereo_Count	15
71849	Undefined_Atom_Stereo_Count	0
4278369	Defined_Atom_Stereo_Count	0
6539304	XLogP3-AA	3
5281897	Isotope_Atom_Count	0
164631	Defined_Atom_Stereo_Count	1
44455234	Mono_Isotopic_Weight	366.10743665
126755973	Rotatable_Bond_Count	0
11983362	TPSA	76.2
81818	Covalent_Unit_Count	1
3222	TPSA	95.9
18204	Mono_Isotopic_Weight	160.157563266
62388	Undefined_Atom_Stereo_Count	2
47267	Hydrogen_Bond_Donor_Count	0
36149	Undefined_Atom_Stereo_Count	0
99451	Total_Formal_Charge	0
107766	Total_Formal_Charge	0
11513929	Rotatable_Bond_Count	0
130054486	Covalent_Unit_Count	1
13437377	Exact_Mass	110.084398327
7842	Mono_Isotopic_Weight	117.94181
12729368	Defined_Bond_Stereo_Count	0
12284	Defined_Atom_Stereo_Count	0
101855556	Mono_Isotopic_Weight	368.08960285
12095226	Non-hydrogen_Atom_Count	23
22630	Defined_Bond_Stereo_Count	0
10774305	Covalent_Unit_Count	1
584667	Non-hydrogen_Atom_Count	20
122672078	Hydrogen_Bond_Acceptor_Count	1
53785673	Defined_Atom_Stereo_Count	0
5175	Covalent_Unit_Count	1
137602	Hydrogen_Bond_Acceptor_Count	0
68681268	Mono_Isotopic_Weight	432.12338320
140985566	Hydrogen_Bond_Acceptor_Count	3
437	Molecular_Weight	179.17
12434511	Hydrogen_Bond_Donor_Count	0
5257437	Defined_Bond_Stereo_Count	0
62828	Isotope_Atom_Count	0
23727689	Hydrogen_Bond_Donor_Count	1
4231972	TPSA	59.1
253602	TPSA	67.8
9798437	Rotatable_Bond_Count	3
40704	Non-hydrogen_Atom_Count	32
42884	Non-hydrogen_Atom_Count	26
13696436	Rotatable_Bond_Count	2
164575893	Total_Formal_Charge	0
11243536	Hydrogen_Bond_Acceptor_Count	2
281459	Structure_Complexity	136
13781092	Hydrogen_Bond_Acceptor_Count	6
51039030	Tautomer_Count	6
8086	Hydrogen_Bond_Acceptor_Count	3
165157	Structure_Complexity	1500
101658	Defined_Atom_Stereo_Count	0
53983207	Undefined_Bond_Stereo_Count	1
68072	Hydrogen_Bond_Acceptor_Count	4
10449	Rotatable_Bond_Count	2
68009306	Defined_Bond_Stereo_Count	0
21595393	Total_Formal_Charge	1
57955	Non-hydrogen_Atom_Count	25
3482	Mono_Isotopic_Weight	193.05863707
448949	Total_Formal_Charge	0
54581904	Molecular_Weight	300.4
5388937	Isotope_Atom_Count	0
10180182	Molecular_Weight	416.6
10931371	Mono_Isotopic_Weight	97.089149355
70978	Exact_Mass	180.03106078
123234407	Hydrogen_Bond_Donor_Count	1
5281727	Molecular_Weight	256.30
12953697	Covalent_Unit_Count	1
69299	Rotatable_Bond_Count	3
21750168	Mono_Isotopic_Weight	128.047344113
3641725	Total_Formal_Charge	0
98051220	Molecular_Weight	364.9
451189	Rotatable_Bond_Count	1
13220	Undefined_Atom_Stereo_Count	0
439255	Covalent_Unit_Count	1
21998248	Structure_Complexity	212
720493	TPSA	55.1
71365	Isotope_Atom_Count	0
439468	Hydrogen_Bond_Donor_Count	11
53850432	Undefined_Atom_Stereo_Count	0
20259182	Total_Formal_Charge	0
27489	Defined_Atom_Stereo_Count	0
68778068	Defined_Atom_Stereo_Count	0
56955184	Defined_Bond_Stereo_Count	0
564751	Undefined_Atom_Stereo_Count	0
9899402	Undefined_Atom_Stereo_Count	0
4510	Non-hydrogen_Atom_Count	15
5281065	Defined_Atom_Stereo_Count	0
1016	Defined_Atom_Stereo_Count	0
9961	Mono_Isotopic_Weight	124.03358575
78006	XLogP3-AA	2.1
16692	Structure_Complexity	254
51987	Exact_Mass	274.98071
63624	TPSA	90.8
2564	Isotope_Atom_Count	0
5284542	XLogP3-AA	1.1
131855729	Hydrogen_Bond_Acceptor_Count	1
75825	Isotope_Atom_Count	0
9425	Defined_Atom_Stereo_Count	0
5537	Defined_Bond_Stereo_Count	0
21049457	Defined_Bond_Stereo_Count	0
3249	Covalent_Unit_Count	1
612055	Isotope_Atom_Count	0
48368	Tautomer_Count	1
6440792	Defined_Atom_Stereo_Count	1
2109	Defined_Bond_Stereo_Count	0
57454999	Total_Formal_Charge	0
156	Mono_Isotopic_Weight	136.074896272
9958278	Mono_Isotopic_Weight	519.13517331
135564996	Structure_Complexity	780
445904	Undefined_Bond_Stereo_Count	0
2752445	Undefined_Atom_Stereo_Count	0
10986159	Exact_Mass	97.052763847
9164	Isotope_Atom_Count	0
65055	Defined_Bond_Stereo_Count	0
70702000	Isotope_Atom_Count	0
8730	Structure_Complexity	420
53245646	Rotatable_Bond_Count	7
1249	Undefined_Atom_Stereo_Count	2
11101	Structure_Complexity	164
44341259	Defined_Bond_Stereo_Count	0
39379	Covalent_Unit_Count	2
11554076	Total_Formal_Charge	0
72064	Total_Formal_Charge	0
35726	Undefined_Atom_Stereo_Count	0
123336	Covalent_Unit_Count	1
21720742	Structure_Complexity	98.7
13848132	Non-hydrogen_Atom_Count	7
98266	Mono_Isotopic_Weight	130.135765193
75040	Hydrogen_Bond_Acceptor_Count	1
643786	Rotatable_Bond_Count	1
9570093	Rotatable_Bond_Count	4
20243737	Hydrogen_Bond_Acceptor_Count	1
17782423	Exact_Mass	85.052763847
66663	Hydrogen_Bond_Donor_Count	0
208832	Undefined_Bond_Stereo_Count	0
17841522	Undefined_Bond_Stereo_Count	0
297183	Structure_Complexity	158
6477715	Rotatable_Bond_Count	7
23674746	Exact_Mass	555.03657441
38849	Mono_Isotopic_Weight	417.10897236
8367	Defined_Bond_Stereo_Count	0
11643980	Structure_Complexity	72
70685175	Structure_Complexity	683
46856376	Rotatable_Bond_Count	0
36879	Covalent_Unit_Count	1
6603775	Mono_Isotopic_Weight	1201.84136802
139086112	XLogP3-AA	1.7
74328	Structure_Complexity	106
57383474	TPSA	76.3
13019068	Defined_Atom_Stereo_Count	3
60121	Undefined_Atom_Stereo_Count	0
45381907	Structure_Complexity	677
35267	Rotatable_Bond_Count	3
4250936	Hydrogen_Bond_Acceptor_Count	1
90470403	Exact_Mass	192.0454260
193991	Exact_Mass	318.11906976
80881	Total_Formal_Charge	0
163698895	Hydrogen_Bond_Donor_Count	2
10231705	Exact_Mass	536.23180809
1385867	Defined_Atom_Stereo_Count	0
22834577	Molecular_Weight	3464.0
3688	TPSA	66.6
963424	Mono_Isotopic_Weight	314.05475542
20442	TPSA	156
163285375	Rotatable_Bond_Count	7
9833984	Defined_Atom_Stereo_Count	1
18726556	Exact_Mass	116.047344113
5035	TPSA	98.2
188350	Undefined_Atom_Stereo_Count	0
5459211	Undefined_Bond_Stereo_Count	0
449284	Non-hydrogen_Atom_Count	29
10329304	Hydrogen_Bond_Acceptor_Count	2
14194343	Covalent_Unit_Count	1
44119431	Covalent_Unit_Count	1
15513	Rotatable_Bond_Count	3
21328181	Hydrogen_Bond_Acceptor_Count	3
139612467	Molecular_Weight	100.12
5288759	Covalent_Unit_Count	1
6056	Exact_Mass	135.104799419
590130	Hydrogen_Bond_Acceptor_Count	2
25386	Defined_Bond_Stereo_Count	0
9802865	XLogP3	1.9
12271363	Structure_Complexity	137
8895	Total_Formal_Charge	0
54455096	Exact_Mass	116.083729621
54587655	Hydrogen_Bond_Donor_Count	1
101798	Hydrogen_Bond_Acceptor_Count	6
136500	Mono_Isotopic_Weight	99.01427034
71916	Hydrogen_Bond_Donor_Count	3
8073	Covalent_Unit_Count	1
10184774	Structure_Complexity	731
66622526	Undefined_Bond_Stereo_Count	0
108156	Structure_Complexity	546
59751	Exact_Mass	408.15862589
154169739	XLogP3-AA	2.3
91692850	Molecular_Weight	342.30
135481969	Hydrogen_Bond_Donor_Count	3
207292	Undefined_Bond_Stereo_Count	0
688469	Isotope_Atom_Count	0
5284572	Structure_Complexity	1520
5392	Total_Formal_Charge	0
9952396	Mono_Isotopic_Weight	391.24710654
35810	Molecular_Weight	204.29
22160831	Undefined_Atom_Stereo_Count	1
3036824	Structure_Complexity	1740
14299310	TPSA	46.2
26130	Rotatable_Bond_Count	1
119716	Exact_Mass	143.167399674
24197375	Hydrogen_Bond_Donor_Count	3
135409400	Total_Formal_Charge	0
10996979	Covalent_Unit_Count	1
636	Exact_Mass	251.10183929
3724	Undefined_Atom_Stereo_Count	4
6437875	Exact_Mass	215.09060590
11552706	Defined_Bond_Stereo_Count	0
57089031	Covalent_Unit_Count	1
86309268	Rotatable_Bond_Count	3
132252	Molecular_Weight	384.2
22320975	Defined_Bond_Stereo_Count	0
705472	Defined_Atom_Stereo_Count	0
41017	Undefined_Atom_Stereo_Count	0
1034	Isotope_Atom_Count	0
6857537	Tautomer_Count	1
6420013	Mono_Isotopic_Weight	343.1550360
101602	Total_Formal_Charge	0
101088599	Defined_Bond_Stereo_Count	2
60985	TPSA	26.3
23666110	Exact_Mass	672.7720
11777341	Defined_Bond_Stereo_Count	0
17019	Hydrogen_Bond_Acceptor_Count	0
248703	Molecular_Weight	248.28
44207124	Covalent_Unit_Count	1
24762228	Total_Formal_Charge	0
91754	Hydrogen_Bond_Donor_Count	0
54054905	Rotatable_Bond_Count	0
123468130	Undefined_Bond_Stereo_Count	0
44257207	Covalent_Unit_Count	1
61013	Defined_Bond_Stereo_Count	0
61902348	Defined_Bond_Stereo_Count	0
44521016	Rotatable_Bond_Count	7
708	Molecular_Weight	722.9
11481426	Defined_Bond_Stereo_Count	0
11013485	Tautomer_Count	1
80642	Rotatable_Bond_Count	2
2550	Rotatable_Bond_Count	3
3865578	Structure_Complexity	178
250451	Undefined_Atom_Stereo_Count	0
75828	Hydrogen_Bond_Donor_Count	0
5311169	Hydrogen_Bond_Donor_Count	16
101739878	Rotatable_Bond_Count	1
3055957	Molecular_Weight	101.19
2532	Defined_Bond_Stereo_Count	0
390049	Mono_Isotopic_Weight	418.14163842
887830	Covalent_Unit_Count	1
6172	Structure_Complexity	489
90429111	TPSA	58.6
17778639	Isotope_Atom_Count	0
70198	Hydrogen_Bond_Donor_Count	0
11441307	XLogP3-AA	5.2
75355757	TPSA	33
22181125	Mono_Isotopic_Weight	87.068413911
92626	XLogP3-AA	3.7
265810	Hydrogen_Bond_Donor_Count	2
3081387	Non-hydrogen_Atom_Count	44
54675757	Undefined_Atom_Stereo_Count	0
118705487	Structure_Complexity	160
1206	XLogP3	2.1
43032	Hydrogen_Bond_Acceptor_Count	3
21026	Undefined_Bond_Stereo_Count	0
578334	Undefined_Atom_Stereo_Count	0
14240	Molecular_Weight	171.28
71011	Total_Formal_Charge	0
6473973	Hydrogen_Bond_Acceptor_Count	14
4110039	Non-hydrogen_Atom_Count	8
7263	Mono_Isotopic_Weight	142.0297759
91482	Hydrogen_Bond_Acceptor_Count	4
353481	TPSA	245
839580	Molecular_Weight	308.3
15204529	Undefined_Atom_Stereo_Count	2
5375048	Rotatable_Bond_Count	2
13283	Undefined_Bond_Stereo_Count	0
68901489	Structure_Complexity	97.3
66297	Structure_Complexity	8
18195	Defined_Atom_Stereo_Count	0
11039	Mono_Isotopic_Weight	102.068079557
70198	Hydrogen_Bond_Acceptor_Count	1
11584	Hydrogen_Bond_Donor_Count	0
95308	Isotope_Atom_Count	0
24759	Hydrogen_Bond_Acceptor_Count	23
118654527	Mono_Isotopic_Weight	284.16237386
8797	Covalent_Unit_Count	1
11150163	Undefined_Bond_Stereo_Count	0
123167244	Total_Formal_Charge	0
68321730	Hydrogen_Bond_Acceptor_Count	4
640308	XLogP3-AA	0.2
5280794	Rotatable_Bond_Count	5
4274588	Rotatable_Bond_Count	1
442966	Covalent_Unit_Count	1
11377	Exact_Mass	144.068748264
65677	Mono_Isotopic_Weight	288.10964789
11126175	Structure_Complexity	93.8
80837	Mono_Isotopic_Weight	706.13954689
3463	TPSA	46.5
5475462	Hydrogen_Bond_Acceptor_Count	1
162883454	Total_Formal_Charge	0
3068143	Total_Formal_Charge	0
162247	Mono_Isotopic_Weight	116.131348519
12349471	XLogP3-AA	0.8
5329055	XLogP3-AA	4.9
76963096	Covalent_Unit_Count	2
89149682	Non-hydrogen_Atom_Count	7
12200749	Undefined_Bond_Stereo_Count	0
62313624	Mono_Isotopic_Weight	97.089149355
9264	Covalent_Unit_Count	1
214339	Mono_Isotopic_Weight	352.9614950
4793	Defined_Atom_Stereo_Count	0
20561708	TPSA	47.8
3000715	Rotatable_Bond_Count	4
153442	Hydrogen_Bond_Donor_Count	1
105104	Undefined_Bond_Stereo_Count	0
742	Undefined_Atom_Stereo_Count	1
2762894	TPSA	38.9
54192233	XLogP3-AA	1.4
9973799	XLogP3-AA	4.6
3653	Defined_Bond_Stereo_Count	0
50112	Undefined_Atom_Stereo_Count	9
143811683	Defined_Atom_Stereo_Count	0
3017295	Structure_Complexity	110
22304	Rotatable_Bond_Count	11
32966	XLogP3	0.2
75634	Non-hydrogen_Atom_Count	7
82513	Hydrogen_Bond_Acceptor_Count	2
5282452	Mono_Isotopic_Weight	421.16893641
1216	Hydrogen_Bond_Acceptor_Count	6
45112562	Defined_Atom_Stereo_Count	0
720561	Defined_Atom_Stereo_Count	0
448972	Undefined_Atom_Stereo_Count	0
39230	XLogP3	4.5
5489948	Non-hydrogen_Atom_Count	39
70689350	Undefined_Atom_Stereo_Count	1
96147	Hydrogen_Bond_Acceptor_Count	6
18785356	Isotope_Atom_Count	0
23687810	Defined_Bond_Stereo_Count	0
139079484	Mono_Isotopic_Weight	617.991897
17090	Undefined_Bond_Stereo_Count	0
146681110	Non-hydrogen_Atom_Count	73
68028	Undefined_Atom_Stereo_Count	0
53664307	Non-hydrogen_Atom_Count	7
3084049	Hydrogen_Bond_Donor_Count	14
145946920	Molecular_Weight	796.9
44560771	Molecular_Weight	362.4
82337	XLogP3	3.6
21252133	Total_Formal_Charge	0
839611	XLogP3-AA	2.9
12130	Hydrogen_Bond_Donor_Count	0
4165	Hydrogen_Bond_Acceptor_Count	5
91408078	Isotope_Atom_Count	0
3544692	Rotatable_Bond_Count	1
13940	Hydrogen_Bond_Donor_Count	0
5273759	Rotatable_Bond_Count	6
30295	TPSA	32.7
54539493	Structure_Complexity	115
75258	Rotatable_Bond_Count	2
58806257	Defined_Bond_Stereo_Count	0
65492	Structure_Complexity	583
4764	Undefined_Atom_Stereo_Count	0
11319053	Tautomer_Count	12
11789162	Non-hydrogen_Atom_Count	8
402827	Structure_Complexity	932
2666	Defined_Bond_Stereo_Count	0
657378	Undefined_Bond_Stereo_Count	0
20690188	Undefined_Bond_Stereo_Count	0
6235	Undefined_Bond_Stereo_Count	0
68499424	Non-hydrogen_Atom_Count	7
22220113	Hydrogen_Bond_Donor_Count	1
3844264	XLogP3-AA	2.1
7943	Isotope_Atom_Count	0
139020	Undefined_Bond_Stereo_Count	0
123487779	Isotope_Atom_Count	0
56842231	Exact_Mass	1140.59812858
839	Exact_Mass	163.04807239
795875	Molecular_Weight	340.22
24759	Hydrogen_Bond_Donor_Count	14
13218140	Mono_Isotopic_Weight	114.068079557
704314	Rotatable_Bond_Count	4
5544	TPSA	115
118585331	Defined_Bond_Stereo_Count	0
75472	Molecular_Weight	171.28
201453	Non-hydrogen_Atom_Count	11
14926651	Undefined_Bond_Stereo_Count	0
21276	Covalent_Unit_Count	1
3033928	Defined_Atom_Stereo_Count	9
3957	Rotatable_Bond_Count	2
7914	Structure_Complexity	33.4
21162706	Undefined_Bond_Stereo_Count	0
3058737	Non-hydrogen_Atom_Count	39
5752	Structure_Complexity	214
40466900	Mono_Isotopic_Weight	411.19601972
57713	Hydrogen_Bond_Donor_Count	4
5371	Rotatable_Bond_Count	6
5326956	TPSA	115
593919	Defined_Atom_Stereo_Count	0
5833	Undefined_Bond_Stereo_Count	0
92270	Defined_Bond_Stereo_Count	0
136871	Structure_Complexity	42.6
5803	Hydrogen_Bond_Donor_Count	2
6429113	TPSA	30.2
12561969	Covalent_Unit_Count	1
42539	Molecular_Weight	254.3
21642823	Undefined_Atom_Stereo_Count	0
71761627	Defined_Atom_Stereo_Count	0
13133780	Undefined_Atom_Stereo_Count	1
6544	Isotope_Atom_Count	0
824	Defined_Atom_Stereo_Count	0
109014	Mono_Isotopic_Weight	170.084398327
18769554	Isotope_Atom_Count	0
13349550	Undefined_Atom_Stereo_Count	4
12433	Total_Formal_Charge	0
19985227	Hydrogen_Bond_Donor_Count	1
12309462	Structure_Complexity	470
4584	Defined_Atom_Stereo_Count	0
17356	Covalent_Unit_Count	1
9973	Defined_Atom_Stereo_Count	0
15004706	Hydrogen_Bond_Donor_Count	2
11986122	Molecular_Weight	230.04
85864362	Rotatable_Bond_Count	1
7920	Structure_Complexity	128
59301609	Defined_Atom_Stereo_Count	0
5289613	Exact_Mass	234.05282342
10379	Mono_Isotopic_Weight	199.063328530
57399651	Total_Formal_Charge	0
33558	Undefined_Bond_Stereo_Count	0
11062335	Total_Formal_Charge	0
76080	Total_Formal_Charge	0
131801471	Molecular_Weight	7127
14366842	Mono_Isotopic_Weight	104.094963011
657087	Defined_Atom_Stereo_Count	1
91475	Exact_Mass	334.25079494
85307823	Mono_Isotopic_Weight	115.063328530
10964453	Molecular_Weight	114.19
22975832	Covalent_Unit_Count	1
3047810	Non-hydrogen_Atom_Count	31
53846435	Defined_Bond_Stereo_Count	0
12004418	Exact_Mass	293.12766012
159157	TPSA	89
91867648	Molecular_Weight	13.005739
67979	Non-hydrogen_Atom_Count	11
8679	TPSA	12
8013	Defined_Atom_Stereo_Count	0
142647132	Mono_Isotopic_Weight	115.063328530
46244259	Hydrogen_Bond_Acceptor_Count	7
10257882	Molecular_Weight	592.8
444797	Total_Formal_Charge	0
4048819	Mono_Isotopic_Weight	157.110278721
30175	Rotatable_Bond_Count	1
16033	Hydrogen_Bond_Acceptor_Count	2
135421783	Isotope_Atom_Count	0
12456	Rotatable_Bond_Count	2
137212229	Defined_Bond_Stereo_Count	0
4788452	Covalent_Unit_Count	1
148676572	Rotatable_Bond_Count	0
65487	Exact_Mass	571.30647189
65853	XLogP3-AA	1.1
40466858	Rotatable_Bond_Count	5
11523	Total_Formal_Charge	0
869249	Rotatable_Bond_Count	1
27436	Covalent_Unit_Count	1
260859	Undefined_Bond_Stereo_Count	0
53628842	Rotatable_Bond_Count	1
12351158	Isotope_Atom_Count	0
67229	Tautomer_Count	1
441346	Molecular_Weight	420.5
92386	TPSA	35.5
443879	Tautomer_Count	90
156186164	Non-hydrogen_Atom_Count	8
12079	Isotope_Atom_Count	0
66576989	Undefined_Atom_Stereo_Count	0
69903	XLogP3-AA	1.5
44310303	Covalent_Unit_Count	1
24503	Undefined_Atom_Stereo_Count	0
95162416	Molecular_Weight	342.30
717	Hydrogen_Bond_Acceptor_Count	9
2188	Exact_Mass	340.9066861
43013	Total_Formal_Charge	0
102059894	Hydrogen_Bond_Donor_Count	3
10295970	Covalent_Unit_Count	1
38988396	Hydrogen_Bond_Donor_Count	2
5890	Isotope_Atom_Count	0
11225102	Rotatable_Bond_Count	6
5311201	Defined_Bond_Stereo_Count	0
445785	Rotatable_Bond_Count	19
14201285	TPSA	35.5
46693	Hydrogen_Bond_Acceptor_Count	3
153241	Exact_Mass	452.16958450
6808	Structure_Complexity	221
534451	TPSA	12.5
1201	Non-hydrogen_Atom_Count	27
61361	XLogP3	2.8
92907	Defined_Atom_Stereo_Count	1
58247618	Covalent_Unit_Count	1
94355	Isotope_Atom_Count	0
63119	Total_Formal_Charge	0
3032279	Defined_Atom_Stereo_Count	0
16052011	Non-hydrogen_Atom_Count	95
4630917	Covalent_Unit_Count	1
6540277	Defined_Atom_Stereo_Count	0
9813119	Undefined_Bond_Stereo_Count	0
12146767	Molecular_Weight	81.12
9964078	Rotatable_Bond_Count	1
285097	Molecular_Weight	184.27
24198694	Covalent_Unit_Count	2
71752170	Hydrogen_Bond_Donor_Count	1
457035	Defined_Atom_Stereo_Count	0
68903	TPSA	49.4
77290	Covalent_Unit_Count	1
33134	Hydrogen_Bond_Donor_Count	0
13795	Undefined_Bond_Stereo_Count	0
5259899	Rotatable_Bond_Count	4
11480420	Mono_Isotopic_Weight	112.063662883
3011155	Undefined_Atom_Stereo_Count	0
9320	Exact_Mass	418.35758248
7506	Defined_Bond_Stereo_Count	0
7143	Hydrogen_Bond_Donor_Count	1
737	Exact_Mass	339.99604987
3857	Hydrogen_Bond_Donor_Count	4
136090	Mono_Isotopic_Weight	104.062600255
23681059	Rotatable_Bond_Count	3
5486700	Structure_Complexity	1560
20714804	Defined_Bond_Stereo_Count	0
74904	Hydrogen_Bond_Acceptor_Count	2
10105	Undefined_Bond_Stereo_Count	0
643941	TPSA	17.1
2723816	Tautomer_Count	1
57445155	TPSA	29.5
83899	Isotope_Atom_Count	0
67259738	Molecular_Weight	110.07
50896	Rotatable_Bond_Count	6
13469816	Covalent_Unit_Count	1
53484290	Non-hydrogen_Atom_Count	8
13012673	Non-hydrogen_Atom_Count	5
13152	Non-hydrogen_Atom_Count	10
6093170	Hydrogen_Bond_Donor_Count	0
77160509	Mono_Isotopic_Weight	85.089149355
21847	Mono_Isotopic_Weight	362.199428076
12259684	Structure_Complexity	506
63801	Non-hydrogen_Atom_Count	37
134735	XLogP3	2.1
16682953	Defined_Bond_Stereo_Count	0
11469055	Hydrogen_Bond_Donor_Count	0
19543	Isotope_Atom_Count	0
129195194	Rotatable_Bond_Count	1
24776140	Rotatable_Bond_Count	2
12974	Covalent_Unit_Count	1
250074	Defined_Atom_Stereo_Count	0
7065	XLogP3-AA	5.7
11326613	Hydrogen_Bond_Acceptor_Count	4
9985155	Hydrogen_Bond_Donor_Count	0
9854073	Isotope_Atom_Count	0
70696864	Mono_Isotopic_Weight	428.20730742
2733484	Molecular_Weight	376.9
5368396	XLogP3-AA	11
83478501	Isotope_Atom_Count	0
398516	Exact_Mass	380.13069707
4011	Isotope_Atom_Count	0
21024274	Molecular_Weight	118.17
22899343	Hydrogen_Bond_Donor_Count	1
738541	Isotope_Atom_Count	0
145721938	Mono_Isotopic_Weight	589.14023
53811889	Non-hydrogen_Atom_Count	8
17750962	TPSA	134
935707	Isotope_Atom_Count	0
21998212	Structure_Complexity	91.7
59453356	Molecular_Weight	111.10
446801	Covalent_Unit_Count	1
11286230	Rotatable_Bond_Count	3
6001	Non-hydrogen_Atom_Count	20
3003004	Defined_Atom_Stereo_Count	0
8705	Tautomer_Count	6
10886	TPSA	26.3
74732	Tautomer_Count	2
3831985	Exact_Mass	440.23583084
8987	Undefined_Bond_Stereo_Count	0
43432	Defined_Bond_Stereo_Count	0
439178	Defined_Bond_Stereo_Count	0
20605239	Non-hydrogen_Atom_Count	6
53731118	Rotatable_Bond_Count	1
14976610	Undefined_Bond_Stereo_Count	0
5281035	Mono_Isotopic_Weight	382.228322906
16217238	Hydrogen_Bond_Acceptor_Count	3
53317121	Rotatable_Bond_Count	1
12707110	Mono_Isotopic_Weight	85.052763847
108227	TPSA	90
12374	Hydrogen_Bond_Acceptor_Count	2
12180	Isotope_Atom_Count	0
10773225	Rotatable_Bond_Count	1
6190	Defined_Bond_Stereo_Count	0
21766329	Non-hydrogen_Atom_Count	8
22996964	Hydrogen_Bond_Donor_Count	0
9912	Isotope_Atom_Count	0
21613900	Hydrogen_Bond_Acceptor_Count	2
6917655	XLogP3-AA	4
71849	Hydrogen_Bond_Acceptor_Count	2
62105	Tautomer_Count	1
6918155	Non-hydrogen_Atom_Count	39
195	Total_Formal_Charge	0
12962854	Defined_Bond_Stereo_Count	0
181138	Exact_Mass	186.115698455
3086637	Tautomer_Count	117
60769	Structure_Complexity	512
14502695	Molecular_Weight	109.17
91826463	XLogP3	2.5
2734174	Rotatable_Bond_Count	3
76609483	TPSA	41.8
89646	Exact_Mass	204.05349212
4042	Tautomer_Count	10
18446289	Structure_Complexity	105
9887844	Hydrogen_Bond_Acceptor_Count	5
12579408	Exact_Mass	98.073164938
71332025	Undefined_Bond_Stereo_Count	1
15570483	Molecular_Weight	94.15
49757967	Rotatable_Bond_Count	2
93922	Isotope_Atom_Count	0
114681	Total_Formal_Charge	0
72201	Tautomer_Count	3
16685	Non-hydrogen_Atom_Count	17
12768403	Hydrogen_Bond_Donor_Count	2
71464628	Structure_Complexity	641
19702729	TPSA	61.1
3506	Rotatable_Bond_Count	12
231040	Defined_Atom_Stereo_Count	0
25223	TPSA	26
4641	Defined_Bond_Stereo_Count	0
91582439	Rotatable_Bond_Count	0
21236	Undefined_Atom_Stereo_Count	0
31448	Total_Formal_Charge	0
5501	Mono_Isotopic_Weight	232.09602564
23635314	Undefined_Atom_Stereo_Count	0
596336	Isotope_Atom_Count	0
136673	Mono_Isotopic_Weight	98.109550447
746471	Rotatable_Bond_Count	3
5475462	Isotope_Atom_Count	0
20762359	XLogP3-AA	0.3
1573	Covalent_Unit_Count	1
23519852	Undefined_Bond_Stereo_Count	0
5491930	Covalent_Unit_Count	1
8411	Covalent_Unit_Count	1
4135	Covalent_Unit_Count	1
138540	Hydrogen_Bond_Donor_Count	1
82693	XLogP3	2.9
4687937	Total_Formal_Charge	0
17525	Defined_Atom_Stereo_Count	0
3033017	XLogP3	2.9
70637	Total_Formal_Charge	0
13653621	Molecular_Weight	420.5
41	Isotope_Atom_Count	0
43193	Total_Formal_Charge	0
10391	Hydrogen_Bond_Acceptor_Count	1
73707447	Rotatable_Bond_Count	12
73759809	Hydrogen_Bond_Donor_Count	3
5417	Covalent_Unit_Count	1
123922025	Non-hydrogen_Atom_Count	8
101870	Defined_Atom_Stereo_Count	0
69251960	Molecular_Weight	112.09
307	Undefined_Atom_Stereo_Count	0
737157	Hydrogen_Bond_Donor_Count	1
9840971	Exact_Mass	342.12157168
22749	Non-hydrogen_Atom_Count	8
711468	Isotope_Atom_Count	0
39622	Mono_Isotopic_Weight	337.11142153
54682536	Hydrogen_Bond_Acceptor_Count	14
53407792	Covalent_Unit_Count	1
6537504	Hydrogen_Bond_Acceptor_Count	18
135707781	TPSA	240
25137678	Tautomer_Count	1
10197660	Defined_Atom_Stereo_Count	0
5281771	Covalent_Unit_Count	1
57384040	TPSA	98.4
162817	Molecular_Weight	280.4
53635139	Isotope_Atom_Count	0
5253	Molecular_Weight	272.37
884462	Covalent_Unit_Count	1
11804674	Mono_Isotopic_Weight	82.041864811
171970	Tautomer_Count	2
44563146	Total_Formal_Charge	0
54690315	Structure_Complexity	160
81531	Hydrogen_Bond_Acceptor_Count	1
65211	Molecular_Weight	443.6
77918	Defined_Bond_Stereo_Count	0
14454	Structure_Complexity	48.1
85773920	Exact_Mass	100.052429494
105426944	Defined_Bond_Stereo_Count	0
72076	Non-hydrogen_Atom_Count	27
283992	Mono_Isotopic_Weight	118.062994177
5367412	Non-hydrogen_Atom_Count	11
441261	Undefined_Atom_Stereo_Count	0
140377273	Structure_Complexity	72.9
12431567	Exact_Mass	98.073164938
10785	Defined_Atom_Stereo_Count	0
69088	Hydrogen_Bond_Acceptor_Count	1
11206	Total_Formal_Charge	0
144452917	Undefined_Atom_Stereo_Count	0
11231942	Hydrogen_Bond_Acceptor_Count	2
6973640	Isotope_Atom_Count	0
163156	Hydrogen_Bond_Donor_Count	3
12275362	Non-hydrogen_Atom_Count	8
135413508	Non-hydrogen_Atom_Count	81
137072	Molecular_Weight	96.17
124031779	Covalent_Unit_Count	1
76997051	Molecular_Weight	99.17
12102	Rotatable_Bond_Count	1
5288631	Undefined_Atom_Stereo_Count	0
6440842	Undefined_Atom_Stereo_Count	1
9812	Molecular_Weight	229.25
446201	Total_Formal_Charge	0
64040	Covalent_Unit_Count	1
23678874	Tautomer_Count	1
1443	Structure_Complexity	428
70579	Hydrogen_Bond_Acceptor_Count	0
355	Molecular_Weight	166.13
162071	Isotope_Atom_Count	0
4174	Defined_Atom_Stereo_Count	0
138397	Undefined_Atom_Stereo_Count	0
15325996	Covalent_Unit_Count	1
64934	Undefined_Atom_Stereo_Count	0
24211936	XLogP3	0.9
138059757	Defined_Bond_Stereo_Count	0
8945	Molecular_Weight	204.13
14163	Hydrogen_Bond_Donor_Count	0
72111	Isotope_Atom_Count	0
12217061	Exact_Mass	97.063997236
11527282	Undefined_Bond_Stereo_Count	0
66112	Non-hydrogen_Atom_Count	6
40903	Structure_Complexity	763
17355	Rotatable_Bond_Count	3
59435876	Non-hydrogen_Atom_Count	10
446167	Structure_Complexity	221
28649	Non-hydrogen_Atom_Count	15
2782	Hydrogen_Bond_Donor_Count	0
91469693	Exact_Mass	96.057514874
92979	Defined_Atom_Stereo_Count	5
16138	Non-hydrogen_Atom_Count	28
469717	Undefined_Bond_Stereo_Count	0
227260	Structure_Complexity	299
564184	Rotatable_Bond_Count	0
4583497	Hydrogen_Bond_Acceptor_Count	2
78963	Undefined_Bond_Stereo_Count	0
148119	Covalent_Unit_Count	1
12757	Mono_Isotopic_Weight	110.109550447
1205040	Total_Formal_Charge	0
443369	Hydrogen_Bond_Acceptor_Count	9
15256279	Structure_Complexity	57.2
22944534	Hydrogen_Bond_Donor_Count	0
134919	Undefined_Atom_Stereo_Count	0
5533	XLogP3-AA	2.8
3169	Hydrogen_Bond_Acceptor_Count	4
23678802	Undefined_Bond_Stereo_Count	0
92775	Structure_Complexity	371
143007	Undefined_Atom_Stereo_Count	0
294764	Structure_Complexity	262
129428745	Molecular_Weight	480.7
1886	Undefined_Bond_Stereo_Count	0
4298216	TPSA	0
40473193	Isotope_Atom_Count	0
12648080	Molecular_Weight	154.16
73957	Defined_Atom_Stereo_Count	0
10942338	Exact_Mass	86.036779430
75057	Defined_Bond_Stereo_Count	0
7042	Molecular_Weight	128.13
92131820	Undefined_Bond_Stereo_Count	0
91667591	Rotatable_Bond_Count	16
441308	Isotope_Atom_Count	0
565424	TPSA	37.3
441277	Molecular_Weight	321.9
6437877	Undefined_Bond_Stereo_Count	0
44324020	Exact_Mass	284.16237386
68416	Molecular_Weight	287.11
10442928	XLogP3-AA	5
96891	Defined_Atom_Stereo_Count	0
10899282	TPSA	110
129689816	Total_Formal_Charge	0
98051216	Isotope_Atom_Count	0
90489753	Non-hydrogen_Atom_Count	47
9801235	XLogP3-AA	4
319771	Non-hydrogen_Atom_Count	7
16653	Mono_Isotopic_Weight	187.10308534
663939	Covalent_Unit_Count	1
216210	Molecular_Weight	471.5
1449	Undefined_Atom_Stereo_Count	0
130600	TPSA	13.6
18471709	Undefined_Atom_Stereo_Count	1
5368010	Hydrogen_Bond_Acceptor_Count	2
67172	Hydrogen_Bond_Acceptor_Count	5
39732	XLogP3	6.3
124159	Defined_Atom_Stereo_Count	0
182137	Defined_Bond_Stereo_Count	0
74152	Defined_Bond_Stereo_Count	0
334657	Rotatable_Bond_Count	6
565589	XLogP3-AA	2.6
71624345	XLogP3-AA	1.6
13401996	Undefined_Atom_Stereo_Count	0
28749	Tautomer_Count	2
5319879	Exact_Mass	356.29265975
134824657	Mono_Isotopic_Weight	529.21726296
15940193	Non-hydrogen_Atom_Count	22
7093	Defined_Atom_Stereo_Count	0
12709580	Undefined_Atom_Stereo_Count	0
57396149	Hydrogen_Bond_Donor_Count	2
45789647	Undefined_Atom_Stereo_Count	1
23683747	Structure_Complexity	299
11226684	Total_Formal_Charge	0
2724537	Exact_Mass	73.089149355
6918446	Structure_Complexity	560
130038395	Defined_Bond_Stereo_Count	0
87810	Undefined_Bond_Stereo_Count	0
9936	Undefined_Bond_Stereo_Count	0
9481	Defined_Bond_Stereo_Count	0
67718	Total_Formal_Charge	0
129319344	Exact_Mass	1098.63148185
99645347	Structure_Complexity	415
79576984	Rotatable_Bond_Count	4
65111	Total_Formal_Charge	0
12358970	XLogP3	2.4
14712340	Isotope_Atom_Count	0
66603137	Undefined_Atom_Stereo_Count	0
1434	Isotope_Atom_Count	0
10895	Covalent_Unit_Count	1
1820	Hydrogen_Bond_Acceptor_Count	3
447407	Covalent_Unit_Count	1
1016	TPSA	130
87224935	Mono_Isotopic_Weight	166.099379685
135564558	Undefined_Atom_Stereo_Count	0
443980	Rotatable_Bond_Count	5
18392	Mono_Isotopic_Weight	130.062994177
564996	Hydrogen_Bond_Donor_Count	0
20277510	Undefined_Bond_Stereo_Count	0
29227	Hydrogen_Bond_Acceptor_Count	2
444590	Rotatable_Bond_Count	18
70339927	Exact_Mass	84.068748264
22836	Mono_Isotopic_Weight	368.2019266
18618975	Structure_Complexity	72.5
571736	Hydrogen_Bond_Donor_Count	1
2568	Non-hydrogen_Atom_Count	10
9473	Hydrogen_Bond_Donor_Count	0
5476	Undefined_Atom_Stereo_Count	1
28292	Undefined_Atom_Stereo_Count	0
51039095	Mono_Isotopic_Weight	463.25833993
267	Structure_Complexity	2440
123608	Hydrogen_Bond_Acceptor_Count	4
250451	Hydrogen_Bond_Acceptor_Count	2
42614	TPSA	104
71306354	Structure_Complexity	4380
3083758	Molecular_Weight	145.55
6610	Defined_Bond_Stereo_Count	0
51030896	Non-hydrogen_Atom_Count	31
446400	Structure_Complexity	604
6580	Hydrogen_Bond_Acceptor_Count	1
13528037	Rotatable_Bond_Count	7
7318	Covalent_Unit_Count	1
56675795	Hydrogen_Bond_Acceptor_Count	7
1016	Defined_Bond_Stereo_Count	0
22137188	Total_Formal_Charge	0
136515	Defined_Bond_Stereo_Count	0
11284883	Rotatable_Bond_Count	0
6598	Non-hydrogen_Atom_Count	6
135692718	TPSA	50.7
69540411	Mono_Isotopic_Weight	586.3546303
11027	Total_Formal_Charge	0
5282492	XLogP3	3.9
28830	Non-hydrogen_Atom_Count	19
11083045	Exact_Mass	701.55083
42632610	Total_Formal_Charge	0
9570290	TPSA	95.9
6918191	Mono_Isotopic_Weight	324.0890221
129307545	Total_Formal_Charge	0
8784	Isotope_Atom_Count	0
40460	Undefined_Bond_Stereo_Count	0
92649	Isotope_Atom_Count	0
54288820	Molecular_Weight	118.13
162148	Total_Formal_Charge	0
66252	Undefined_Bond_Stereo_Count	0
868031	Defined_Atom_Stereo_Count	0
184653	Hydrogen_Bond_Acceptor_Count	1
44431171	Defined_Atom_Stereo_Count	2
3081907	Non-hydrogen_Atom_Count	73
16759173	Molecular_Weight	446.5
54680694	Molecular_Weight	527.6
49806720	Defined_Bond_Stereo_Count	0
53805787	Undefined_Bond_Stereo_Count	0
98790	Molecular_Weight	232.10
135920954	Hydrogen_Bond_Acceptor_Count	7
18851	Undefined_Atom_Stereo_Count	1
227244	Tautomer_Count	1
72	Tautomer_Count	10
13439	Hydrogen_Bond_Donor_Count	0
300166	Total_Formal_Charge	0
2950	Undefined_Bond_Stereo_Count	0
72929	Exact_Mass	136.063662883
12921228	Undefined_Atom_Stereo_Count	0
24900942	XLogP3-AA	3.3
6584	Molecular_Weight	74.08
22096	Defined_Bond_Stereo_Count	0
94570	Total_Formal_Charge	0
24530	Isotope_Atom_Count	0
10254	Total_Formal_Charge	0
96327588	Molecular_Weight	527.5
3444	Hydrogen_Bond_Donor_Count	0
265652	Defined_Atom_Stereo_Count	0
15439201	Molecular_Weight	109.13
86220885	XLogP3-AA	0.5
25144864	Covalent_Unit_Count	3
11260561	Undefined_Atom_Stereo_Count	0
448014	Structure_Complexity	371
7498	Undefined_Atom_Stereo_Count	0
3664	Rotatable_Bond_Count	5
141225356	Exact_Mass	408.12969158
129848667	Total_Formal_Charge	0
113	Hydrogen_Bond_Donor_Count	4
20414	Hydrogen_Bond_Acceptor_Count	0
9915886	Rotatable_Bond_Count	7
10931233	Hydrogen_Bond_Acceptor_Count	27
14852454	Covalent_Unit_Count	1
16130295	TPSA	2820
98053103	Undefined_Bond_Stereo_Count	0
129702186	Hydrogen_Bond_Acceptor_Count	9
68119	Hydrogen_Bond_Acceptor_Count	4
121891	XLogP3-AA	3
68226	Defined_Atom_Stereo_Count	0
23219736	Undefined_Bond_Stereo_Count	0
3017698	Rotatable_Bond_Count	4
10964334	Exact_Mass	1388.93119660
86134	Undefined_Atom_Stereo_Count	1
54751657	Total_Formal_Charge	0
2804374	Molecular_Weight	231.68
725300	Isotope_Atom_Count	0
67375395	Non-hydrogen_Atom_Count	31
272991	Non-hydrogen_Atom_Count	30
26956	Undefined_Bond_Stereo_Count	1
306211	Hydrogen_Bond_Acceptor_Count	3
33606	XLogP3	3.4
84063996	XLogP3-AA	0.2
10510843	Exact_Mass	117.078978594
44246477	Defined_Bond_Stereo_Count	0
137268	Structure_Complexity	109
133637885	Isotope_Atom_Count	0
14147082	Non-hydrogen_Atom_Count	8
6605	Exact_Mass	454.1313794
5460135	Defined_Bond_Stereo_Count	3
8101	TPSA	0
12093171	TPSA	123
6995013	Non-hydrogen_Atom_Count	11
4992	Covalent_Unit_Count	1
189	Hydrogen_Bond_Acceptor_Count	5
3752	Mono_Isotopic_Weight	255.0078506
19859	Hydrogen_Bond_Donor_Count	1
5277135	XLogP3-AA	5.3
49862460	Covalent_Unit_Count	1
135542606	Defined_Atom_Stereo_Count	0
29935	TPSA	23.8
129789506	Structure_Complexity	126
97536	Isotope_Atom_Count	0
12313849	Mono_Isotopic_Weight	347.07937252
3249988	Covalent_Unit_Count	1
88314154	Defined_Atom_Stereo_Count	0
66811197	Covalent_Unit_Count	1
18467387	Hydrogen_Bond_Acceptor_Count	2
9866186	Rotatable_Bond_Count	4
14711688	Non-hydrogen_Atom_Count	8
170813	XLogP3	4.1
73376	Undefined_Bond_Stereo_Count	0
16760569	Rotatable_Bond_Count	11
3729	Defined_Atom_Stereo_Count	0
13521831	Exact_Mass	99.068413911
22168583	Structure_Complexity	300
585174	Mono_Isotopic_Weight	136.052429494
118511060	Defined_Bond_Stereo_Count	0
128832	Undefined_Atom_Stereo_Count	0
3556	Defined_Atom_Stereo_Count	0
2209	Exact_Mass	162.02854067
117807974	Defined_Atom_Stereo_Count	0
67239709	Defined_Bond_Stereo_Count	0
123751374	XLogP3-AA	7.5
1282	Rotatable_Bond_Count	3
161154	Hydrogen_Bond_Acceptor_Count	3
86336697	Rotatable_Bond_Count	1
112030	Undefined_Atom_Stereo_Count	1
1855	Exact_Mass	214.09535693
66679	Defined_Atom_Stereo_Count	0
21251781	Mono_Isotopic_Weight	113.047678466
2737168	Tautomer_Count	1
18598488	Covalent_Unit_Count	1
39800	Rotatable_Bond_Count	0
3497	Isotope_Atom_Count	0
14511	Defined_Bond_Stereo_Count	0
29746	Exact_Mass	182.167065321
21071390	Hydrogen_Bond_Acceptor_Count	7
611945	Total_Formal_Charge	0
26421	XLogP3-AA	1
21051392	Hydrogen_Bond_Acceptor_Count	1
9570438	XLogP3-AA	3.8
56679001	Hydrogen_Bond_Donor_Count	2
398513	Mono_Isotopic_Weight	578.02108976
4545429	Covalent_Unit_Count	1
558206	Defined_Bond_Stereo_Count	0
414	Tautomer_Count	4
6918852	Hydrogen_Bond_Acceptor_Count	11
46944253	Molecular_Weight	468.2
124604767	Hydrogen_Bond_Acceptor_Count	16
68478	Hydrogen_Bond_Acceptor_Count	2
71484	Structure_Complexity	995
132992789	Defined_Atom_Stereo_Count	0
47491	Defined_Bond_Stereo_Count	0
332	Defined_Atom_Stereo_Count	0
21180574	Tautomer_Count	5
73921	Defined_Atom_Stereo_Count	0
3878	Hydrogen_Bond_Acceptor_Count	5
65125	Exact_Mass	112.03851076
8283	TPSA	20.2
640308	Tautomer_Count	3
13306877	Structure_Complexity	82.6
11957707	Non-hydrogen_Atom_Count	23
528612	Non-hydrogen_Atom_Count	8
60196341	Undefined_Atom_Stereo_Count	14
94297	Hydrogen_Bond_Donor_Count	0
68929	Exact_Mass	288.17254462
17827145	TPSA	24.4
71140	TPSA	47.3
1041	Molecular_Weight	390.07
138149697	Total_Formal_Charge	0
74523	Molecular_Weight	172.27
70250504	Mono_Isotopic_Weight	544.24744090
25113190	Molecular_Weight	763.5
94811	Defined_Atom_Stereo_Count	0
3434472	XLogP3	4.8
89678335	Covalent_Unit_Count	1
12594991	Non-hydrogen_Atom_Count	6
131673820	Structure_Complexity	958
295042	Molecular_Weight	288.77
5824382	Isotope_Atom_Count	0
421	Covalent_Unit_Count	1
3628	Hydrogen_Bond_Acceptor_Count	10
71545	Hydrogen_Bond_Donor_Count	0
524314	Undefined_Atom_Stereo_Count	0
141096113	Undefined_Atom_Stereo_Count	2
5748733	Undefined_Bond_Stereo_Count	0
6539020	Undefined_Atom_Stereo_Count	0
3073763	Non-hydrogen_Atom_Count	14
6291886	Exact_Mass	269.0407907
16822	XLogP3	0.8
130471	XLogP3-AA	1.1
49856296	Defined_Atom_Stereo_Count	0
21473742	TPSA	65.6
12059	Structure_Complexity	98.9
24972541	Total_Formal_Charge	0
177739	XLogP3	1.2
2243	Defined_Bond_Stereo_Count	0
141366	Exact_Mass	91.042199164
129867899	Defined_Bond_Stereo_Count	1
83444	Molecular_Weight	242.39
5318	Undefined_Bond_Stereo_Count	0
7065	TPSA	9.7
54691185	XLogP3-AA	0.9
439616	Hydrogen_Bond_Donor_Count	2
4915	Undefined_Atom_Stereo_Count	0
154689	Hydrogen_Bond_Acceptor_Count	4
5515	XLogP3-AA	0.5
8805	Rotatable_Bond_Count	3
151473	Covalent_Unit_Count	1
12040	Tautomer_Count	1
11051611	Covalent_Unit_Count	1
3366	Total_Formal_Charge	0
59281403	Mono_Isotopic_Weight	417.13002593
65715	Isotope_Atom_Count	0
117190135	Mono_Isotopic_Weight	114.042927438
1715	Tautomer_Count	1
6296	Defined_Atom_Stereo_Count	0
101649230	Non-hydrogen_Atom_Count	19
162955	Hydrogen_Bond_Acceptor_Count	5
75354	Non-hydrogen_Atom_Count	27
3033226	Exact_Mass	289.07726451
14570	Hydrogen_Bond_Acceptor_Count	1
10031812	Undefined_Bond_Stereo_Count	0
135020	Rotatable_Bond_Count	2
5311429	Undefined_Atom_Stereo_Count	0
39539	TPSA	15.8
28871	TPSA	78.4
45120722	Defined_Bond_Stereo_Count	0
650960	Covalent_Unit_Count	1
17613	Molecular_Weight	150.64
92093	Undefined_Atom_Stereo_Count	0
10500527	Isotope_Atom_Count	0
6669	Exact_Mass	294.12157168
14208378	Defined_Bond_Stereo_Count	0
156328	Molecular_Weight	402.5
160440	Covalent_Unit_Count	1
12130	Tautomer_Count	1
15122	Rotatable_Bond_Count	2
151449	Rotatable_Bond_Count	0
14181	Rotatable_Bond_Count	5
123462301	Covalent_Unit_Count	1
23053647	Isotope_Atom_Count	0
77014	Non-hydrogen_Atom_Count	11
54704426	Exact_Mass	480.1299435
3686	TPSA	72.8
10219674	Defined_Atom_Stereo_Count	4
5361	Defined_Atom_Stereo_Count	0
19431	Undefined_Atom_Stereo_Count	0
5365369	Rotatable_Bond_Count	19
58196257	Undefined_Bond_Stereo_Count	0
127030	Covalent_Unit_Count	1
23672568	Exact_Mass	484.05995429
520913	Non-hydrogen_Atom_Count	7
7092	Defined_Bond_Stereo_Count	0
1921	Undefined_Bond_Stereo_Count	0
11326613	Non-hydrogen_Atom_Count	29
68909	Defined_Bond_Stereo_Count	0
12634653	Hydrogen_Bond_Acceptor_Count	0
123610	Isotope_Atom_Count	0
72506564	Undefined_Atom_Stereo_Count	0
66932	TPSA	52.6
69020	Defined_Atom_Stereo_Count	0
68745	TPSA	74.6
534471	Isotope_Atom_Count	0
11246	Covalent_Unit_Count	2
23690938	Molecular_Weight	353.3
20087	Isotope_Atom_Count	0
68284	Defined_Atom_Stereo_Count	0
53708	Hydrogen_Bond_Donor_Count	2
57061642	Defined_Bond_Stereo_Count	0
129009953	Defined_Bond_Stereo_Count	0
1546	Undefined_Bond_Stereo_Count	0
21482444	Defined_Bond_Stereo_Count	0
60982	TPSA	29.5
24823847	Total_Formal_Charge	0
10241	Isotope_Atom_Count	0
90281906	Total_Formal_Charge	0
20530042	Isotope_Atom_Count	0
15184917	Hydrogen_Bond_Acceptor_Count	1
10923804	Molecular_Weight	275.37
139906410	Defined_Atom_Stereo_Count	0
5491906	Undefined_Bond_Stereo_Count	0
44283095	Rotatable_Bond_Count	2
39327	Covalent_Unit_Count	1
10197668	Total_Formal_Charge	0
8520	Non-hydrogen_Atom_Count	25
6971016	TPSA	110
58411	Total_Formal_Charge	0
88794	Defined_Bond_Stereo_Count	0
244030	Hydrogen_Bond_Donor_Count	0
14502695	Covalent_Unit_Count	1
12385068	Hydrogen_Bond_Donor_Count	0
23151396	Molecular_Weight	100.08
57713	Rotatable_Bond_Count	13
534283	Isotope_Atom_Count	0
4609	TPSA	76.6
57390797	Mono_Isotopic_Weight	428.31512653
16437056	Defined_Bond_Stereo_Count	0
61100	Undefined_Bond_Stereo_Count	0
153386581	Exact_Mass	96.057514874
907178	Rotatable_Bond_Count	7
20336998	Structure_Complexity	41.4
6710631	Rotatable_Bond_Count	1
171296	Mono_Isotopic_Weight	291.1138399
118374185	TPSA	15.3
21648	Undefined_Bond_Stereo_Count	0
10379	Hydrogen_Bond_Acceptor_Count	3
123871431	XLogP3-AA	2.6
133109022	Molecular_Weight	505.7
10672195	Exact_Mass	474.28038099
54686904	TPSA	206
56270	Non-hydrogen_Atom_Count	18
14120	Isotope_Atom_Count	0
13611091	Rotatable_Bond_Count	0
46937020	Undefined_Bond_Stereo_Count	0
593411	Isotope_Atom_Count	0
11886769	Hydrogen_Bond_Donor_Count	8
11358077	Tautomer_Count	1
1549107	Isotope_Atom_Count	0
67678	Defined_Bond_Stereo_Count	0
125556	Undefined_Atom_Stereo_Count	0
9719	Non-hydrogen_Atom_Count	22
886677	Defined_Atom_Stereo_Count	1
657298	Mono_Isotopic_Weight	170.05138412
35912	Exact_Mass	248.152477885
65987055	Defined_Atom_Stereo_Count	0
5283377	Exact_Mass	236.214015512
26859	Rotatable_Bond_Count	4
10715	Defined_Bond_Stereo_Count	0
62823	Exact_Mass	175.12084340
22061626	Covalent_Unit_Count	1
101254454	Defined_Atom_Stereo_Count	0
3427828	Non-hydrogen_Atom_Count	19
31238	Exact_Mass	260.250401021
93577	Hydrogen_Bond_Acceptor_Count	8
53887	Total_Formal_Charge	0
135754	Structure_Complexity	563
102514067	Structure_Complexity	123
15979	TPSA	0
54530170	Defined_Atom_Stereo_Count	0
9962735	Rotatable_Bond_Count	31
162904206	Total_Formal_Charge	0
47866	Mono_Isotopic_Weight	166.09669434
9690	Undefined_Bond_Stereo_Count	0
443407	Structure_Complexity	772
9828356	XLogP3-AA	1
4584	Defined_Bond_Stereo_Count	0
54714462	Undefined_Bond_Stereo_Count	0
22038	Molecular_Weight	428.6
68914546	Covalent_Unit_Count	2
11013485	Structure_Complexity	502
829002	Defined_Atom_Stereo_Count	1
53960	Structure_Complexity	295
53434235	Defined_Atom_Stereo_Count	0
135565472	Structure_Complexity	1050
5361250	Hydrogen_Bond_Acceptor_Count	5
6491	TPSA	58.2
142403638	TPSA	44
72728884	Isotope_Atom_Count	0
4369413	Defined_Bond_Stereo_Count	0
134160331	Hydrogen_Bond_Donor_Count	2
36431	Molecular_Weight	422.0
151	Exact_Mass	314.05151706
4269486	Rotatable_Bond_Count	0
81423	Structure_Complexity	126
56841013	Mono_Isotopic_Weight	548.03898
70846	Undefined_Bond_Stereo_Count	0
59896759	Defined_Atom_Stereo_Count	0
12201383	Molecular_Weight	107.11
164116	Covalent_Unit_Count	1
91701304	Mono_Isotopic_Weight	100.027277375
42105518	Hydrogen_Bond_Acceptor_Count	1
13853	Defined_Bond_Stereo_Count	0
2844	Defined_Atom_Stereo_Count	0
54345713	Rotatable_Bond_Count	2
52542	Total_Formal_Charge	0
59519119	Hydrogen_Bond_Acceptor_Count	1
82313	Tautomer_Count	2
260716	Hydrogen_Bond_Acceptor_Count	0
3923	Hydrogen_Bond_Donor_Count	2
60196275	Exact_Mass	426.08043
14200416	Defined_Atom_Stereo_Count	0
58095446	Mono_Isotopic_Weight	99.104799419
20548464	Total_Formal_Charge	0
475320	Mono_Isotopic_Weight	572.98649516
55142	Exact_Mass	265.110278721
19838382	Structure_Complexity	103
5289159	Mono_Isotopic_Weight	305.13237409
16431	Defined_Bond_Stereo_Count	0
60150535	Hydrogen_Bond_Donor_Count	2
8717	Isotope_Atom_Count	0
189031	Isotope_Atom_Count	0
129671755	Isotope_Atom_Count	0
123753428	Non-hydrogen_Atom_Count	8
13212923	Mono_Isotopic_Weight	99.104799419
56842108	Rotatable_Bond_Count	5
54586720	Hydrogen_Bond_Donor_Count	1
11454	Defined_Bond_Stereo_Count	0
26035	Defined_Bond_Stereo_Count	0
78255	Rotatable_Bond_Count	18
13694931	Total_Formal_Charge	0
3959	Covalent_Unit_Count	1
3025721	Hydrogen_Bond_Donor_Count	1
6431301	Defined_Atom_Stereo_Count	2
16051586	Non-hydrogen_Atom_Count	29
1639804	TPSA	46.5
135403647	TPSA	221
67784194	Molecular_Weight	109.09
90707288	TPSA	26
5480	Defined_Atom_Stereo_Count	0
3512	Covalent_Unit_Count	1
29109	Non-hydrogen_Atom_Count	1
50163	TPSA	121
72551	Tautomer_Count	2
44183616	Undefined_Bond_Stereo_Count	0
17497	Defined_Atom_Stereo_Count	0
12120	Structure_Complexity	95.3
21932698	XLogP3-AA	3.8
9023	Non-hydrogen_Atom_Count	6
11850899	Covalent_Unit_Count	1
57400138	Undefined_Bond_Stereo_Count	0
38971	Non-hydrogen_Atom_Count	29
24828759	Undefined_Atom_Stereo_Count	0
53699711	Molecular_Weight	114.10
18359433	Total_Formal_Charge	0
89143818	Isotope_Atom_Count	0
121207425	Defined_Atom_Stereo_Count	0
5359367	Covalent_Unit_Count	1
71460731	Undefined_Bond_Stereo_Count	0
89545750	Defined_Bond_Stereo_Count	5
60238	XLogP3-AA	1.1
6918092	Mono_Isotopic_Weight	668.15062196
17982851	Total_Formal_Charge	0
118461690	Undefined_Atom_Stereo_Count	2
68770	Non-hydrogen_Atom_Count	26
53245646	Mono_Isotopic_Weight	453.20524173
11632113	Rotatable_Bond_Count	7
28554	Defined_Atom_Stereo_Count	0
124222212	Structure_Complexity	350
6436924	Isotope_Atom_Count	0
12381281	Non-hydrogen_Atom_Count	7
2782351	Undefined_Bond_Stereo_Count	0
3047822	Mono_Isotopic_Weight	204.11100700
92764	Undefined_Bond_Stereo_Count	0
8028	Undefined_Atom_Stereo_Count	0
72307	Undefined_Atom_Stereo_Count	0
14791281	Non-hydrogen_Atom_Count	13
11147687	Hydrogen_Bond_Donor_Count	1
8008	Hydrogen_Bond_Acceptor_Count	1
475825	Isotope_Atom_Count	0
91395	Exact_Mass	555.12596855
17131	Defined_Atom_Stereo_Count	0
9033	Molecular_Weight	43.07
74523	Hydrogen_Bond_Donor_Count	2
98497	XLogP3-AA	1.9
24478	Isotope_Atom_Count	0
522325	Mono_Isotopic_Weight	333.07592146
436	Exact_Mass	192.089877630
895	Undefined_Bond_Stereo_Count	0
9577585	Isotope_Atom_Count	0
135415564	XLogP3-AA	5.6
2452	Defined_Atom_Stereo_Count	0
946372	Undefined_Atom_Stereo_Count	0
8763	Undefined_Atom_Stereo_Count	0
11995188	Undefined_Bond_Stereo_Count	0
15130831	Mono_Isotopic_Weight	356.1422188
118797610	Structure_Complexity	151
5462346	Mono_Isotopic_Weight	477.23626707
6918076	Covalent_Unit_Count	1
90903483	Undefined_Bond_Stereo_Count	0
64945	Non-hydrogen_Atom_Count	33
46782912	XLogP3	0.9
10185917	Non-hydrogen_Atom_Count	35
54258195	Hydrogen_Bond_Acceptor_Count	3
12518095	Defined_Bond_Stereo_Count	0
54126052	Structure_Complexity	65.1
6400271	Structure_Complexity	228
3035817	XLogP3-AA	2.8
141379122	Exact_Mass	111.043261792
5323976	TPSA	41.9
79	Defined_Atom_Stereo_Count	0
86956	Isotope_Atom_Count	0
66727	Mono_Isotopic_Weight	177.078978594
32495	Undefined_Bond_Stereo_Count	0
15932798	Structure_Complexity	101
9834129	Undefined_Atom_Stereo_Count	1
16126898	Mono_Isotopic_Weight	524.2765481
439263	TPSA	20.2
58969552	Covalent_Unit_Count	1
51369	TPSA	46.6
220272	Hydrogen_Bond_Acceptor_Count	3
25273227	Isotope_Atom_Count	0
185992	Covalent_Unit_Count	1
22477643	Mono_Isotopic_Weight	106.053098200
11105340	Defined_Bond_Stereo_Count	0
9549904	Defined_Atom_Stereo_Count	3
216235	Undefined_Bond_Stereo_Count	0
162268	Defined_Bond_Stereo_Count	0
9420	Defined_Bond_Stereo_Count	0
242426	Hydrogen_Bond_Donor_Count	2
49867704	Hydrogen_Bond_Donor_Count	2
5252031	Rotatable_Bond_Count	4
23054502	Defined_Atom_Stereo_Count	0
107917	Undefined_Bond_Stereo_Count	0
56955186	Hydrogen_Bond_Acceptor_Count	3
74889149	Defined_Bond_Stereo_Count	0
637858	XLogP3-AA	2.1
91820194	Undefined_Bond_Stereo_Count	0
139062655	Mono_Isotopic_Weight	534.2033832
110823	TPSA	44.5
89663	Isotope_Atom_Count	0
9909846	Molecular_Weight	416.6
60595	Mono_Isotopic_Weight	264.126263138
119047	Covalent_Unit_Count	1
9394	Non-hydrogen_Atom_Count	40
5783	Undefined_Bond_Stereo_Count	0
86422	Hydrogen_Bond_Donor_Count	1
46897877	Isotope_Atom_Count	0
20979505	Defined_Atom_Stereo_Count	0
76403	Hydrogen_Bond_Acceptor_Count	1
5281544	Total_Formal_Charge	0
29800	TPSA	66.9
903738	Defined_Bond_Stereo_Count	0
11084586	Undefined_Bond_Stereo_Count	0
57187562	Defined_Bond_Stereo_Count	0
86851	Non-hydrogen_Atom_Count	11
27934	Defined_Atom_Stereo_Count	0
84776	Tautomer_Count	1
11443	Structure_Complexity	265
10261065	Rotatable_Bond_Count	0
35810	Hydrogen_Bond_Acceptor_Count	1
426409	Hydrogen_Bond_Donor_Count	3
485	Defined_Bond_Stereo_Count	0
1175	Rotatable_Bond_Count	0
6109	Hydrogen_Bond_Acceptor_Count	10
2383	Non-hydrogen_Atom_Count	9
157903531	Structure_Complexity	88.1
667	Defined_Atom_Stereo_Count	0
101671175	Defined_Atom_Stereo_Count	6
135438424	Non-hydrogen_Atom_Count	41
75421	Undefined_Bond_Stereo_Count	0
34755	Hydrogen_Bond_Donor_Count	4
54266224	Structure_Complexity	84.1
13739752	Covalent_Unit_Count	1
89829	Non-hydrogen_Atom_Count	11
3154	Covalent_Unit_Count	1
25386	Covalent_Unit_Count	2
492	Undefined_Atom_Stereo_Count	0
3036261	Non-hydrogen_Atom_Count	14
76469	Total_Formal_Charge	0
13733	Hydrogen_Bond_Donor_Count	1
9824345	Mono_Isotopic_Weight	436.15691181
12898	Undefined_Bond_Stereo_Count	0
29801	Tautomer_Count	2
54584708	XLogP3-AA	4.9
25749227	TPSA	77.7
66321	Molecular_Weight	133.9
2455	Hydrogen_Bond_Donor_Count	1
12285856	Mono_Isotopic_Weight	181.06966484
2734411	Exact_Mass	787.03934194
59966627	Undefined_Bond_Stereo_Count	0
11832800	Defined_Atom_Stereo_Count	0
9703	Undefined_Bond_Stereo_Count	0
75496	Defined_Bond_Stereo_Count	0
54540949	Total_Formal_Charge	0
12701395	Hydrogen_Bond_Acceptor_Count	1
10408902	Defined_Atom_Stereo_Count	0
56840904	Mono_Isotopic_Weight	639.95350
72200110	Covalent_Unit_Count	1
7398	Undefined_Atom_Stereo_Count	0
22986754	Undefined_Atom_Stereo_Count	2
1810203	Tautomer_Count	4
72015	Undefined_Atom_Stereo_Count	0
53387504	Isotope_Atom_Count	0
8674	Defined_Atom_Stereo_Count	0
4132186	XLogP3-AA	3.2
369373	Exact_Mass	348.25118886
53395259	Tautomer_Count	14
135445058	Tautomer_Count	13
91026652	Exact_Mass	112.063662883
53856389	Defined_Bond_Stereo_Count	0
141120290	Exact_Mass	110.011627311
357	Hydrogen_Bond_Acceptor_Count	0
10949861	Non-hydrogen_Atom_Count	1
633546	Hydrogen_Bond_Donor_Count	0
16492	Isotope_Atom_Count	0
10027822	Hydrogen_Bond_Donor_Count	2
5195	Molecular_Weight	187.28
1416	Undefined_Atom_Stereo_Count	2
136224833	Rotatable_Bond_Count	3
16213640	Non-hydrogen_Atom_Count	12
23663950	Covalent_Unit_Count	2
44339136	Mono_Isotopic_Weight	513.1158910
143399	Undefined_Atom_Stereo_Count	0
129846269	Hydrogen_Bond_Donor_Count	1
82755	Tautomer_Count	18
4475481	Defined_Bond_Stereo_Count	0
162883453	Rotatable_Bond_Count	6
57416910	Hydrogen_Bond_Donor_Count	0
6436031	Undefined_Bond_Stereo_Count	0
3277600	Tautomer_Count	12
14511	Undefined_Atom_Stereo_Count	0
135398698	Non-hydrogen_Atom_Count	16
12406949	XLogP3-AA	0.4
5781	Defined_Bond_Stereo_Count	0
507806	TPSA	105
16120	Total_Formal_Charge	0
1140	Exact_Mass	92.062600255
104938	Defined_Atom_Stereo_Count	10
40537360	Total_Formal_Charge	0
5702114	Isotope_Atom_Count	0
91936863	Undefined_Atom_Stereo_Count	0
19974934	XLogP3-AA	2.5
65772	Undefined_Bond_Stereo_Count	0
124708040	Hydrogen_Bond_Acceptor_Count	11
9883104	Defined_Bond_Stereo_Count	0
12321787	Defined_Atom_Stereo_Count	1
76964582	Isotope_Atom_Count	0
4587	Isotope_Atom_Count	0
123133923	TPSA	70.1
152109	Isotope_Atom_Count	0
324081	Exact_Mass	221.095297364
18622366	Exact_Mass	112.063662883
449242	Covalent_Unit_Count	1
93771	Total_Formal_Charge	0
10407120	Total_Formal_Charge	0
14944519	Rotatable_Bond_Count	21
135408770	Tautomer_Count	10
6781	Defined_Bond_Stereo_Count	0
155794	Hydrogen_Bond_Donor_Count	1
153664867	Total_Formal_Charge	0
60060441	Mono_Isotopic_Weight	72.00721064
130113566	Hydrogen_Bond_Acceptor_Count	2
496	Covalent_Unit_Count	1
704316	Structure_Complexity	631
65013	Mono_Isotopic_Weight	302.16304257
1629	Hydrogen_Bond_Acceptor_Count	6
19068741	Rotatable_Bond_Count	1
24812721	Structure_Complexity	583
53734126	TPSA	55.1
244030	Isotope_Atom_Count	0
57298123	Undefined_Atom_Stereo_Count	0
71206	Isotope_Atom_Count	0
162344865	Covalent_Unit_Count	2
10008	Undefined_Bond_Stereo_Count	0
3651377	TPSA	67.5
6392641	Mono_Isotopic_Weight	824.368622
114948	Mono_Isotopic_Weight	577.32641949
14585548	Rotatable_Bond_Count	0
19143	TPSA	23.5
5460819	Undefined_Bond_Stereo_Count	0
6919	Undefined_Atom_Stereo_Count	0
3607724	Hydrogen_Bond_Donor_Count	1
17754075	Mono_Isotopic_Weight	115.063328530
41384	Defined_Bond_Stereo_Count	0
667550	Hydrogen_Bond_Donor_Count	1
585999	TPSA	80.4
79680	Mono_Isotopic_Weight	119.9978071
85192	Structure_Complexity	86.2
86350	Hydrogen_Bond_Donor_Count	0
23405789	Exact_Mass	480.1775624
54316980	Total_Formal_Charge	0
562	Molecular_Weight	162.21
5918	Molecular_Weight	109.13
16492	Tautomer_Count	1
12200169	TPSA	32.7
44339155	Exact_Mass	458.22392874
162501	Undefined_Bond_Stereo_Count	0
8992	Exact_Mass	328.97518251
91335727	XLogP3-AA	5.2
13319222	Exact_Mass	103.099714038
10462961	Mono_Isotopic_Weight	783.40948040
6004	Mono_Isotopic_Weight	125.99867984
40466887	Structure_Complexity	614
2998	Molecular_Weight	293.4
455799	Isotope_Atom_Count	0
10624	Molecular_Weight	284.25
25008767	Undefined_Atom_Stereo_Count	0
3081387	Undefined_Atom_Stereo_Count	0
53464	Undefined_Bond_Stereo_Count	0
11829354	XLogP3-AA	1.2
639288	Structure_Complexity	528
153807932	Undefined_Bond_Stereo_Count	0
43962	TPSA	25.8
68717	Hydrogen_Bond_Acceptor_Count	4
40553	Exact_Mass	313.0981898
154225133	Mono_Isotopic_Weight	115.026943022
288541	Isotope_Atom_Count	0
1420	Rotatable_Bond_Count	12
135426867	Tautomer_Count	26
84647648	Mono_Isotopic_Weight	110.084398327
51030901	Rotatable_Bond_Count	5
65700	Undefined_Bond_Stereo_Count	0
41432	Molecular_Weight	172.19
5278	Exact_Mass	390.00153
65649	Non-hydrogen_Atom_Count	12
30951	Undefined_Bond_Stereo_Count	0
101534	Undefined_Atom_Stereo_Count	1
137550	Isotope_Atom_Count	0
50990009	Undefined_Bond_Stereo_Count	0
409347	Structure_Complexity	363
20526803	Defined_Atom_Stereo_Count	0
91394869	Structure_Complexity	80.1
431097	Undefined_Atom_Stereo_Count	2
78704	Rotatable_Bond_Count	2
19016	Non-hydrogen_Atom_Count	10
123618	Rotatable_Bond_Count	4
1115	TPSA	190
11553983	Rotatable_Bond_Count	5
83703	Defined_Atom_Stereo_Count	0
12219458	Isotope_Atom_Count	9
21145	TPSA	0
6971042	Hydrogen_Bond_Donor_Count	4
90041889	Non-hydrogen_Atom_Count	8
1034	Defined_Atom_Stereo_Count	0
21715587	Mono_Isotopic_Weight	110.048012819
14416477	Structure_Complexity	531
24848920	Defined_Bond_Stereo_Count	0
489236	Total_Formal_Charge	0
21054637	Defined_Bond_Stereo_Count	0
7000	Covalent_Unit_Count	1
16005120	Hydrogen_Bond_Donor_Count	1
82839	Isotope_Atom_Count	0
57396150	Mono_Isotopic_Weight	462.23007675
160765	Molecular_Weight	120.17
136506065	Defined_Bond_Stereo_Count	0
155087254	Defined_Atom_Stereo_Count	6
6918580	Covalent_Unit_Count	3
97971	Hydrogen_Bond_Acceptor_Count	3
284948	Defined_Bond_Stereo_Count	0
74879	TPSA	17.1
842090	Defined_Bond_Stereo_Count	0
44916	Mono_Isotopic_Weight	243.1753775
8313	Exact_Mass	353.848008
163321054	Exact_Mass	1325.35377640
3035044	Undefined_Atom_Stereo_Count	0
49808	Undefined_Atom_Stereo_Count	4
68109743	Hydrogen_Bond_Acceptor_Count	6
4292413	Undefined_Atom_Stereo_Count	0
90936519	Hydrogen_Bond_Donor_Count	5
448258	Structure_Complexity	592
10157484	Undefined_Atom_Stereo_Count	0
2313	Non-hydrogen_Atom_Count	21
87535084	Covalent_Unit_Count	1
9921294	Mono_Isotopic_Weight	252.1029409
1268111	Hydrogen_Bond_Acceptor_Count	4
170366	Hydrogen_Bond_Donor_Count	0
22833502	Hydrogen_Bond_Acceptor_Count	2
626	Molecular_Weight	180.16
11305985	Defined_Bond_Stereo_Count	0
19111	Defined_Bond_Stereo_Count	0
118285	Rotatable_Bond_Count	4
271218	XLogP3	2.9
44276024	Rotatable_Bond_Count	11
5068681	Total_Formal_Charge	0
15206928	Hydrogen_Bond_Acceptor_Count	2
68154	Undefined_Bond_Stereo_Count	0
17778639	Defined_Atom_Stereo_Count	0
11731	Hydrogen_Bond_Donor_Count	1
54345713	Total_Formal_Charge	0
5586	Rotatable_Bond_Count	3
62080	Exact_Mass	292.18858861
3444	Tautomer_Count	1
54584353	Exact_Mass	428.20597001
632	Hydrogen_Bond_Donor_Count	2
16051921	Undefined_Bond_Stereo_Count	0
119544	Exact_Mass	304.215078140
14501	Mono_Isotopic_Weight	163.98368
440723	Defined_Bond_Stereo_Count	0
7018	Rotatable_Bond_Count	0
84063981	Structure_Complexity	124
5351560	Exact_Mass	1182.50943272
10822	Hydrogen_Bond_Acceptor_Count	1
5833	Exact_Mass	416.20213067
20592404	Undefined_Atom_Stereo_Count	0
4961823	Hydrogen_Bond_Donor_Count	1
53	Total_Formal_Charge	0
7368	Hydrogen_Bond_Acceptor_Count	3
57077346	Hydrogen_Bond_Donor_Count	0
26945	Undefined_Atom_Stereo_Count	0
14865900	Hydrogen_Bond_Acceptor_Count	2
194774	Undefined_Atom_Stereo_Count	0
3033151	Rotatable_Bond_Count	6
26898	Mono_Isotopic_Weight	290.235813585
23335962	Defined_Bond_Stereo_Count	0
5267	Defined_Atom_Stereo_Count	0
21075956	Total_Formal_Charge	0
19933114	Exact_Mass	98.073164938
452975	Hydrogen_Bond_Acceptor_Count	22
20279	Rotatable_Bond_Count	2
374346	Defined_Bond_Stereo_Count	0
5194	Exact_Mass	740.44994823
73030065	Covalent_Unit_Count	2
10402	Undefined_Bond_Stereo_Count	0
153791162	Defined_Atom_Stereo_Count	0
164087	Isotope_Atom_Count	0
139307343	Hydrogen_Bond_Acceptor_Count	3
636362	Isotope_Atom_Count	0
102565432	Rotatable_Bond_Count	3
22277879	Defined_Atom_Stereo_Count	0
452126	Hydrogen_Bond_Acceptor_Count	9
61865004	Mono_Isotopic_Weight	113.084063974
547676	Mono_Isotopic_Weight	102.104465066
13198436	Defined_Atom_Stereo_Count	0
12933274	Undefined_Atom_Stereo_Count	0
101707	Undefined_Atom_Stereo_Count	1
57568	Mono_Isotopic_Weight	211.157228913
252372	Defined_Bond_Stereo_Count	0
6436173	Molecular_Weight	785.9
9577986	Mono_Isotopic_Weight	420.20088463
135409548	Exact_Mass	327.09675391
87310	Exact_Mass	177.04596439
10991489	Hydrogen_Bond_Acceptor_Count	11
18068	Hydrogen_Bond_Donor_Count	9
20517177	Covalent_Unit_Count	1
11976122	Rotatable_Bond_Count	14
86751	Exact_Mass	158.167065321
12734569	Isotope_Atom_Count	0
441254	Structure_Complexity	141
57156265	Defined_Bond_Stereo_Count	0
1306	Rotatable_Bond_Count	15
316724	Exact_Mass	240.115029749
9833937	Total_Formal_Charge	0
16224456	Hydrogen_Bond_Acceptor_Count	7
86218	Undefined_Atom_Stereo_Count	1
76118878	Hydrogen_Bond_Acceptor_Count	2
41555	Defined_Atom_Stereo_Count	0
11979781	TPSA	356
24879665	Undefined_Bond_Stereo_Count	0
42239	Covalent_Unit_Count	1
160554	Total_Formal_Charge	0
9871419	XLogP3-AA	2
19348604	Total_Formal_Charge	0
16205480	Hydrogen_Bond_Acceptor_Count	3
319771	Undefined_Bond_Stereo_Count	0
12487261	Defined_Bond_Stereo_Count	0
6641	Undefined_Atom_Stereo_Count	0
129635152	Exact_Mass	143.95643836
1779	TPSA	66.4
24766296	Mono_Isotopic_Weight	686.30507491
118855423	Exact_Mass	479.08648575
131632429	Undefined_Atom_Stereo_Count	2
12213589	Rotatable_Bond_Count	3
40273	Defined_Bond_Stereo_Count	0
60857	Molecular_Weight	287.36
59	Tautomer_Count	1
25102720	Hydrogen_Bond_Donor_Count	5
68947	Isotope_Atom_Count	0
64930	Hydrogen_Bond_Donor_Count	2
18377249	Molecular_Weight	111.14
91394869	Hydrogen_Bond_Acceptor_Count	2
7026090	Total_Formal_Charge	0
234105	Hydrogen_Bond_Donor_Count	2
22860	Tautomer_Count	1
9976892	Defined_Bond_Stereo_Count	0
60150185	Isotope_Atom_Count	0
130013569	Total_Formal_Charge	0
637760	Hydrogen_Bond_Donor_Count	0
5287792	Covalent_Unit_Count	1
54758501	Structure_Complexity	712
90471707	Rotatable_Bond_Count	6
136477	Defined_Atom_Stereo_Count	0
5282037	TPSA	123
20145495	Rotatable_Bond_Count	2
1517	Total_Formal_Charge	0
35087	Covalent_Unit_Count	1
4921934	Total_Formal_Charge	1
12317358	XLogP3-AA	0
53631822	XLogP3-AA	0.3
53317503	Hydrogen_Bond_Acceptor_Count	7
5270576	Structure_Complexity	413
71895	Exact_Mass	269.10519334
64294	Covalent_Unit_Count	1
8107	Defined_Atom_Stereo_Count	0
230976	TPSA	89.2
45488113	Defined_Bond_Stereo_Count	0
44590515	Hydrogen_Bond_Donor_Count	2
163284980	Total_Formal_Charge	0
25262965	Undefined_Bond_Stereo_Count	0
56841556	Structure_Complexity	1890
69982	Defined_Atom_Stereo_Count	0
56669107	XLogP3-AA	1
54598306	Undefined_Bond_Stereo_Count	0
8416	Total_Formal_Charge	0
16787580	Defined_Bond_Stereo_Count	0
68374690	XLogP3-AA	0.3
443732	Exact_Mass	71.073499291
7230	Exact_Mass	238.05984080
131744	Total_Formal_Charge	0
266934	Non-hydrogen_Atom_Count	18
533432	TPSA	20.2
54192233	Total_Formal_Charge	0
29971	TPSA	41.1
156422	Defined_Atom_Stereo_Count	0
71415	Isotope_Atom_Count	0
25006687	Molecular_Weight	393.5
774	TPSA	54.7
223368	XLogP3-AA	2.9
68737	Defined_Bond_Stereo_Count	0
969472	Hydrogen_Bond_Donor_Count	0
38876	Hydrogen_Bond_Acceptor_Count	0
16217	Defined_Atom_Stereo_Count	0
5459220	TPSA	215
51081	Molecular_Weight	333.36
16678407	Structure_Complexity	552
3527720	Exact_Mass	228.14739250
19159	Non-hydrogen_Atom_Count	21
56659843	Structure_Complexity	659
6739	Non-hydrogen_Atom_Count	11
85500	Defined_Atom_Stereo_Count	0
16844	Non-hydrogen_Atom_Count	9
11670	Mono_Isotopic_Weight	102.104465066
274082	Rotatable_Bond_Count	10
300166	Structure_Complexity	125
16213095	Covalent_Unit_Count	2
54372438	Isotope_Atom_Count	0
86510	Undefined_Atom_Stereo_Count	1
114612	Total_Formal_Charge	0
16211101	Undefined_Atom_Stereo_Count	0
38875	Undefined_Atom_Stereo_Count	0
44563111	Structure_Complexity	484
17873276	Isotope_Atom_Count	0
64156	Exact_Mass	239.188529040
123608	Covalent_Unit_Count	2
529272	Non-hydrogen_Atom_Count	8
715513	Hydrogen_Bond_Acceptor_Count	3
82325	Hydrogen_Bond_Acceptor_Count	8
104815	Hydrogen_Bond_Donor_Count	0
24892843	Structure_Complexity	302
67944215	Exact_Mass	180.06338810
54594759	Covalent_Unit_Count	1
135398641	Non-hydrogen_Atom_Count	19
117717938	Undefined_Bond_Stereo_Count	0
21881641	Exact_Mass	811.47314329
9475	Exact_Mass	131.094628657
1422	Defined_Atom_Stereo_Count	0
53970191	Defined_Atom_Stereo_Count	0
541123	Defined_Atom_Stereo_Count	0
5359967	Hydrogen_Bond_Donor_Count	0
520445	Molecular_Weight	118.13
90488850	Undefined_Bond_Stereo_Count	1
19727	Isotope_Atom_Count	0
2724629	Exact_Mass	353.16270821
6433288	Undefined_Atom_Stereo_Count	0
2678	Undefined_Bond_Stereo_Count	0
25015	Defined_Bond_Stereo_Count	0
44339135	Hydrogen_Bond_Donor_Count	4
19690463	Defined_Atom_Stereo_Count	0
361753	Isotope_Atom_Count	0
158550	Mono_Isotopic_Weight	802.35712773
20060810	TPSA	47.8
96583	Tautomer_Count	3
123804924	Non-hydrogen_Atom_Count	8
19371515	Defined_Atom_Stereo_Count	0
2791	Molecular_Weight	467.0
135398510	Tautomer_Count	36
102492967	Hydrogen_Bond_Acceptor_Count	8
11249084	Rotatable_Bond_Count	6
71453204	Undefined_Bond_Stereo_Count	0
145603244	Undefined_Atom_Stereo_Count	2
6376436	Rotatable_Bond_Count	11
282752	Undefined_Bond_Stereo_Count	0
733511	Isotope_Atom_Count	0
165411817	Exact_Mass	774.27732385
54586719	Non-hydrogen_Atom_Count	22
135413523	Mono_Isotopic_Weight	666.23192722
8354	Rotatable_Bond_Count	1
10892838	Hydrogen_Bond_Acceptor_Count	2
68365445	Defined_Bond_Stereo_Count	0
12228440	Covalent_Unit_Count	1
56955185	Defined_Atom_Stereo_Count	0
188987	Isotope_Atom_Count	0
66057	Non-hydrogen_Atom_Count	7
28759	Undefined_Bond_Stereo_Count	0
13925935	Covalent_Unit_Count	1
160458	TPSA	40.5
3034336	Structure_Complexity	101
554363	Hydrogen_Bond_Acceptor_Count	3
88771736	Rotatable_Bond_Count	1
643785	Tautomer_Count	1
16911	Total_Formal_Charge	0
83996	Hydrogen_Bond_Donor_Count	5
60702533	Undefined_Bond_Stereo_Count	0
71597391	Total_Formal_Charge	0
10953489	Molecular_Weight	124.09
12079	Defined_Atom_Stereo_Count	0
19392414	TPSA	61.8
150257	Exact_Mass	267.06776246
124112720	Defined_Bond_Stereo_Count	0
57399909	Undefined_Bond_Stereo_Count	0
154214	Isotope_Atom_Count	0
107349	Defined_Atom_Stereo_Count	0
23158380	Defined_Atom_Stereo_Count	0
411817	Mono_Isotopic_Weight	282.1498911
6828	Mono_Isotopic_Weight	268.157563266
43157	Covalent_Unit_Count	1
129826699	Defined_Bond_Stereo_Count	0
5506	Total_Formal_Charge	0
18068	Defined_Bond_Stereo_Count	0
110640	Isotope_Atom_Count	0
71309905	Defined_Atom_Stereo_Count	4
37924	Mono_Isotopic_Weight	251.9744848
8252	Tautomer_Count	1
65667	Mono_Isotopic_Weight	577.32641949
9816506	Non-hydrogen_Atom_Count	19
11750474	Defined_Bond_Stereo_Count	0
54562506	Non-hydrogen_Atom_Count	8
24257	Structure_Complexity	163
94355	Defined_Atom_Stereo_Count	0
631837	Rotatable_Bond_Count	6
94182	Undefined_Atom_Stereo_Count	1
5284534	Defined_Atom_Stereo_Count	17
81457	Tautomer_Count	8
44310763	Covalent_Unit_Count	1
5593	Isotope_Atom_Count	0
169371	Defined_Atom_Stereo_Count	1
20316	Hydrogen_Bond_Donor_Count	0
439352	Hydrogen_Bond_Acceptor_Count	4
400189	Covalent_Unit_Count	1
11263686	Defined_Atom_Stereo_Count	0
12717	Hydrogen_Bond_Donor_Count	2
12835056	Rotatable_Bond_Count	4
1725	Non-hydrogen_Atom_Count	10
76336793	Structure_Complexity	756
6476	Defined_Bond_Stereo_Count	0
88564905	Hydrogen_Bond_Donor_Count	2
2762892	Structure_Complexity	74.9
20100130	Non-hydrogen_Atom_Count	18
3361	Undefined_Atom_Stereo_Count	2
10313077	Hydrogen_Bond_Acceptor_Count	1
201990	Molecular_Weight	110.16
21680715	Defined_Atom_Stereo_Count	4
105054	Undefined_Bond_Stereo_Count	0
45880	XLogP3-AA	2.2
12452576	Non-hydrogen_Atom_Count	6
57397288	Exact_Mass	526.27440453
449101	Exact_Mass	149.06880783
68901306	Exact_Mass	461.23145648
11389	TPSA	25.8
34041	Isotope_Atom_Count	0
83899	Defined_Atom_Stereo_Count	0
2082	Structure_Complexity	291
40473166	Isotope_Atom_Count	0
10875	Defined_Bond_Stereo_Count	0
5284650	Non-hydrogen_Atom_Count	15
88974	Tautomer_Count	9
135516356	Isotope_Atom_Count	0
129815925	Hydrogen_Bond_Acceptor_Count	2
219990	Total_Formal_Charge	0
54808	Tautomer_Count	3
57674785	Rotatable_Bond_Count	2
9935	Isotope_Atom_Count	0
37968	Tautomer_Count	2
434207	Defined_Bond_Stereo_Count	0
6749	Total_Formal_Charge	0
58364265	Molecular_Weight	419.7
3295	Hydrogen_Bond_Donor_Count	1
12529691	Isotope_Atom_Count	0
139040442	Defined_Bond_Stereo_Count	0
60196326	Undefined_Atom_Stereo_Count	0
50741839	Structure_Complexity	1020
19543	Defined_Atom_Stereo_Count	0
163468867	Undefined_Bond_Stereo_Count	0
297618	Undefined_Atom_Stereo_Count	2
534543	Total_Formal_Charge	0
62546	Rotatable_Bond_Count	18
5357258	Covalent_Unit_Count	1
57714	Structure_Complexity	324
72734319	Undefined_Atom_Stereo_Count	0
5282452	Hydrogen_Bond_Donor_Count	3
12746	Hydrogen_Bond_Donor_Count	0
202	Defined_Bond_Stereo_Count	0
20591	Undefined_Atom_Stereo_Count	0
158794	Exact_Mass	315.14705815
84693	Hydrogen_Bond_Donor_Count	1
12208403	Hydrogen_Bond_Acceptor_Count	4
153976605	Defined_Atom_Stereo_Count	0
5282229	Defined_Bond_Stereo_Count	2
5282947	Defined_Atom_Stereo_Count	0
20392120	Defined_Atom_Stereo_Count	0
521759	Non-hydrogen_Atom_Count	7
1548886	Defined_Atom_Stereo_Count	0
64328	Hydrogen_Bond_Acceptor_Count	2
12637126	Covalent_Unit_Count	1
125468	Exact_Mass	100.052429494
77445309	Hydrogen_Bond_Donor_Count	1
29681	Hydrogen_Bond_Acceptor_Count	4
54980	Tautomer_Count	2
104967	Mono_Isotopic_Weight	132.90545196
135981362	Structure_Complexity	832
61048	Rotatable_Bond_Count	4
271488	Exact_Mass	360.339216023
69512	Defined_Atom_Stereo_Count	0
2863	Defined_Bond_Stereo_Count	0
6215	Total_Formal_Charge	0
35949	Hydrogen_Bond_Donor_Count	0
10980	Exact_Mass	255.931856
11405875	Hydrogen_Bond_Acceptor_Count	3
68789	Exact_Mass	295.19475723
3086671	Covalent_Unit_Count	1
71988	Molecular_Weight	344.5
5360696	Molecular_Weight	271.4
6852147	Undefined_Atom_Stereo_Count	0
401	Rotatable_Bond_Count	0
83966	Undefined_Atom_Stereo_Count	0
12502857	Hydrogen_Bond_Donor_Count	0
10039774	Hydrogen_Bond_Acceptor_Count	2
3510	Isotope_Atom_Count	0
129830713	Non-hydrogen_Atom_Count	15
76464	Exact_Mass	226.07588133
80875	Non-hydrogen_Atom_Count	36
71583157	Hydrogen_Bond_Acceptor_Count	6
44407551	Covalent_Unit_Count	1
12387212	Total_Formal_Charge	0
70377524	Defined_Bond_Stereo_Count	0
12199010	Defined_Bond_Stereo_Count	0
573612	Undefined_Bond_Stereo_Count	0
135455579	Rotatable_Bond_Count	7
23058060	Defined_Atom_Stereo_Count	0
6183479	Covalent_Unit_Count	1
60335	Molecular_Weight	262.43
12266719	Hydrogen_Bond_Acceptor_Count	1
76619	Covalent_Unit_Count	1
5148195	TPSA	29.5
20713453	Non-hydrogen_Atom_Count	8
57398253	Structure_Complexity	663
87323	Defined_Bond_Stereo_Count	0
290223	XLogP3-AA	1.9
563446	Isotope_Atom_Count	0
156963289	Rotatable_Bond_Count	6
5166299	Defined_Atom_Stereo_Count	0
2002	Molecular_Weight	246.26
2706	Undefined_Atom_Stereo_Count	4
11654876	Rotatable_Bond_Count	7
71158	Isotope_Atom_Count	0
123672484	Molecular_Weight	115.17
6420038	Undefined_Atom_Stereo_Count	0
2761	Covalent_Unit_Count	1
12993402	Rotatable_Bond_Count	0
12626561	Total_Formal_Charge	0
10340798	Undefined_Atom_Stereo_Count	0
163872483	Isotope_Atom_Count	0
25037407	Structure_Complexity	638
77405	Covalent_Unit_Count	1
134497	Defined_Bond_Stereo_Count	0
69521	Undefined_Bond_Stereo_Count	0
54880	Tautomer_Count	1
9828626	Defined_Atom_Stereo_Count	0
237413	Defined_Atom_Stereo_Count	2
344865	Rotatable_Bond_Count	6
18755630	TPSA	9.2
4237	Covalent_Unit_Count	1
134479	Molecular_Weight	141.21
17928	Mono_Isotopic_Weight	243.08954328
46783795	Undefined_Bond_Stereo_Count	0
15228410	Exact_Mass	114.068079557
3058839	Molecular_Weight	262.34
638340	Non-hydrogen_Atom_Count	22
5311333	Molecular_Weight	1111.3
529389	Defined_Bond_Stereo_Count	0
88984133	Exact_Mass	104.094963011
53167	Rotatable_Bond_Count	0
76223445	Molecular_Weight	81.12
7848	Non-hydrogen_Atom_Count	4
626732	Defined_Atom_Stereo_Count	0
11565	Rotatable_Bond_Count	0
3813	Structure_Complexity	977
225609	Total_Formal_Charge	0
14765771	Undefined_Atom_Stereo_Count	0
23082568	Covalent_Unit_Count	2
3459	Molecular_Weight	400.6
69497	Exact_Mass	232.05580079
25600	Hydrogen_Bond_Donor_Count	2
22661080	Exact_Mass	112.063662883
197839	Defined_Bond_Stereo_Count	0
60196332	Defined_Atom_Stereo_Count	1
596336	Defined_Atom_Stereo_Count	0
64432	XLogP3-AA	3
2223	Defined_Bond_Stereo_Count	0
6918585	Covalent_Unit_Count	1
105	Non-hydrogen_Atom_Count	11
37134563	Defined_Bond_Stereo_Count	0
15969	Tautomer_Count	2
11206059	Rotatable_Bond_Count	4
46700744	Hydrogen_Bond_Donor_Count	4
144525	Isotope_Atom_Count	0
3081386	Total_Formal_Charge	0
83822	Rotatable_Bond_Count	10
2265	Total_Formal_Charge	0
136721436	Hydrogen_Bond_Acceptor_Count	7
261166	XLogP3-AA	3.8
71533242	Undefined_Atom_Stereo_Count	1
53906657	Undefined_Bond_Stereo_Count	1
22500965	Undefined_Bond_Stereo_Count	0
67797735	Molecular_Weight	339.4
6917773	Non-hydrogen_Atom_Count	33
102848	Exact_Mass	99.068413911
11393	Molecular_Weight	186.21
16993	Undefined_Atom_Stereo_Count	1
44310707	Mono_Isotopic_Weight	375.21580641
179344	Defined_Bond_Stereo_Count	0
24268	Hydrogen_Bond_Acceptor_Count	3
16412	Non-hydrogen_Atom_Count	15
47320	Undefined_Bond_Stereo_Count	0
242436	Undefined_Atom_Stereo_Count	0
131839562	Undefined_Atom_Stereo_Count	2
19402	Exact_Mass	374.0709720
178565	Tautomer_Count	4
131632024	Rotatable_Bond_Count	0
33728341	Mono_Isotopic_Weight	113.058911855
185902	Undefined_Bond_Stereo_Count	0
9115	Undefined_Atom_Stereo_Count	0
548769	Structure_Complexity	172
45116605	Undefined_Bond_Stereo_Count	0
12675	Undefined_Bond_Stereo_Count	0
600	Molecular_Weight	258.12
20798615	Non-hydrogen_Atom_Count	7
54319	TPSA	83.1
2142	Exact_Mass	585.28573644
59653	Undefined_Atom_Stereo_Count	3
8281	XLogP3	0.5
40428945	Undefined_Bond_Stereo_Count	0
38258	Covalent_Unit_Count	1
817623	Defined_Bond_Stereo_Count	0
897473	Hydrogen_Bond_Donor_Count	2
18868	Hydrogen_Bond_Donor_Count	1
16760063	XLogP3-AA	5.9
26089	Mono_Isotopic_Weight	179.849305
13165124	Isotope_Atom_Count	0
556380	Mono_Isotopic_Weight	108.057514874
20601501	Rotatable_Bond_Count	2
51041322	Isotope_Atom_Count	5
7422	Molecular_Weight	137.14
11541511	Rotatable_Bond_Count	6
20056626	Mono_Isotopic_Weight	242.13002836
25612	Non-hydrogen_Atom_Count	11
11163584	Hydrogen_Bond_Acceptor_Count	5
118086727	Hydrogen_Bond_Acceptor_Count	2
148039025	Hydrogen_Bond_Acceptor_Count	1
163934	Hydrogen_Bond_Donor_Count	1
90818	Hydrogen_Bond_Acceptor_Count	1
62556	Mono_Isotopic_Weight	352.11581759
5957	Isotope_Atom_Count	0
45256108	Undefined_Bond_Stereo_Count	0
20975302	Mono_Isotopic_Weight	117.042593085
68402550	Defined_Atom_Stereo_Count	0
90935301	Defined_Bond_Stereo_Count	0
238288	Defined_Atom_Stereo_Count	0
80519	Undefined_Atom_Stereo_Count	0
18062	Defined_Atom_Stereo_Count	0
224241	Defined_Atom_Stereo_Count	0
20448997	Undefined_Atom_Stereo_Count	2
111804	Undefined_Atom_Stereo_Count	0
23654	Structure_Complexity	125
3722461	Undefined_Bond_Stereo_Count	0
53893761	Structure_Complexity	162
5288670	Rotatable_Bond_Count	9
1607	Exact_Mass	168.05349212
64813	Hydrogen_Bond_Donor_Count	0
134694876	Defined_Bond_Stereo_Count	0
11962143	TPSA	129
20515773	Undefined_Bond_Stereo_Count	0
18509075	Undefined_Bond_Stereo_Count	0
6398969	Defined_Bond_Stereo_Count	0
12462026	Defined_Bond_Stereo_Count	0
11955855	Rotatable_Bond_Count	5
10898017	Isotope_Atom_Count	0
64715	TPSA	72.8
121232443	Undefined_Atom_Stereo_Count	0
53693033	Hydrogen_Bond_Donor_Count	0
3832	Exact_Mass	347.12296866
20729526	Total_Formal_Charge	0
6341	Isotope_Atom_Count	0
5414	TPSA	57.2
1471380	Rotatable_Bond_Count	4
45784923	Exact_Mass	605.20500239
96344	Undefined_Atom_Stereo_Count	0
11089	Total_Formal_Charge	0
11346811	Non-hydrogen_Atom_Count	19
99057	Isotope_Atom_Count	0
53856650	Mono_Isotopic_Weight	110.109550447
57430	Isotope_Atom_Count	0
21322048	TPSA	17.1
68741938	Exact_Mass	559.31341002
9847836	Total_Formal_Charge	0
75562	Rotatable_Bond_Count	0
61799	Structure_Complexity	147
42985	TPSA	132
5359	Undefined_Atom_Stereo_Count	1
46173802	Non-hydrogen_Atom_Count	36
66192	Total_Formal_Charge	0
86574136	Isotope_Atom_Count	0
13042689	Isotope_Atom_Count	0
31312	Defined_Atom_Stereo_Count	7
49865785	Defined_Bond_Stereo_Count	0
12428017	Undefined_Bond_Stereo_Count	0
66683197	Hydrogen_Bond_Donor_Count	1
863	Undefined_Bond_Stereo_Count	0
456222	Hydrogen_Bond_Acceptor_Count	4
22341299	Total_Formal_Charge	0
85989631	Molecular_Weight	94.15
22625312	Rotatable_Bond_Count	0
11341	Tautomer_Count	1
13356643	Defined_Bond_Stereo_Count	0
1505	Defined_Atom_Stereo_Count	0
134695314	TPSA	172
83123	Non-hydrogen_Atom_Count	14
15561463	Structure_Complexity	62.7
6919051	Defined_Atom_Stereo_Count	0
7093	XLogP3	3.4
57163928	Isotope_Atom_Count	0
10672195	Covalent_Unit_Count	1
5355219	TPSA	53.1
452110	Isotope_Atom_Count	0
360129	Covalent_Unit_Count	1
18606	TPSA	60.7
66532	Rotatable_Bond_Count	1
146367450	Molecular_Weight	284.35
1950	Non-hydrogen_Atom_Count	16
30072	Undefined_Atom_Stereo_Count	4
7096	Hydrogen_Bond_Donor_Count	1
71106	TPSA	74.6
78324	Defined_Bond_Stereo_Count	0
524653	Undefined_Atom_Stereo_Count	2
17310	Molecular_Weight	122.19
5280723	XLogP3	3.2
4110039	Molecular_Weight	132.16
118613234	Rotatable_Bond_Count	1
45120331	Molecular_Weight	112.17
10072851	Hydrogen_Bond_Donor_Count	2
55472	Total_Formal_Charge	0
70912	Structure_Complexity	177
4846	Non-hydrogen_Atom_Count	23
68802	Covalent_Unit_Count	1
23677058	Mono_Isotopic_Weight	276.09084324
11583971	Undefined_Atom_Stereo_Count	0
71270	Total_Formal_Charge	0
6066	Tautomer_Count	1
71624098	Non-hydrogen_Atom_Count	27
51635	Total_Formal_Charge	0
8191	Undefined_Bond_Stereo_Count	0
50317	Rotatable_Bond_Count	2
21935081	Undefined_Bond_Stereo_Count	0
6476006	Mono_Isotopic_Weight	230.094294304
129636345	Non-hydrogen_Atom_Count	22
1497	Structure_Complexity	552
91573287	Undefined_Atom_Stereo_Count	0
14340	Defined_Bond_Stereo_Count	0
86836	Molecular_Weight	217.22
4993182	Hydrogen_Bond_Donor_Count	3
71311337	Structure_Complexity	8
21492261	Hydrogen_Bond_Acceptor_Count	1
67266053	Molecular_Weight	99.17
917192	Covalent_Unit_Count	1
30690	Structure_Complexity	527
53944814	Undefined_Bond_Stereo_Count	0
4323	Rotatable_Bond_Count	10
6989253	Molecular_Weight	117.15
4669250	Undefined_Bond_Stereo_Count	0
23283068	Hydrogen_Bond_Donor_Count	0
51	Rotatable_Bond_Count	4
90614	Covalent_Unit_Count	1
54561127	Hydrogen_Bond_Donor_Count	1
86739056	Mono_Isotopic_Weight	346.0100290
705472	Non-hydrogen_Atom_Count	24
52945793	Hydrogen_Bond_Donor_Count	1
4936	Isotope_Atom_Count	0
12705074	Rotatable_Bond_Count	2
5311047	Defined_Atom_Stereo_Count	2
5311096	Total_Formal_Charge	0
4848	TPSA	68.8
11275562	Hydrogen_Bond_Acceptor_Count	9
2736256	Isotope_Atom_Count	0
1551553	XLogP3-AA	0.3
442431	Exact_Mass	580.17920569
13548212	XLogP3-AA	0.6
24865625	Hydrogen_Bond_Donor_Count	3
11829372	Non-hydrogen_Atom_Count	7
153812620	Undefined_Bond_Stereo_Count	0
18689	Defined_Atom_Stereo_Count	0
11084068	Hydrogen_Bond_Donor_Count	1
86399	Non-hydrogen_Atom_Count	14
60155274	Defined_Atom_Stereo_Count	1
3396	Total_Formal_Charge	0
60196415	Hydrogen_Bond_Acceptor_Count	4
55291464	Covalent_Unit_Count	1
15113581	Exact_Mass	96.057514874
5283344	Non-hydrogen_Atom_Count	11
172288	Total_Formal_Charge	0
20333380	Total_Formal_Charge	0
44120162	Defined_Bond_Stereo_Count	0
6778	Defined_Atom_Stereo_Count	0
5232201	Molecular_Weight	110.14
49766037	Covalent_Unit_Count	1
60196314	Defined_Bond_Stereo_Count	0
15031772	Rotatable_Bond_Count	0
4678317	Undefined_Bond_Stereo_Count	0
61585	TPSA	17.1
91558991	Mono_Isotopic_Weight	110.109550447
4943	Mono_Isotopic_Weight	178.135765193
62654	XLogP3-AA	2.7
5384876	Exact_Mass	653.21084017
10415	Rotatable_Bond_Count	5
135539077	Undefined_Atom_Stereo_Count	0
90248267	Rotatable_Bond_Count	3
72693	Structure_Complexity	1020
18357	Undefined_Bond_Stereo_Count	0
23450	TPSA	63.3
2950966	Hydrogen_Bond_Acceptor_Count	3
59903796	Mono_Isotopic_Weight	100.052429494
71515466	Undefined_Atom_Stereo_Count	0
9863	Isotope_Atom_Count	0
76830	Molecular_Weight	257.09
22581391	XLogP3-AA	4
18175195	Undefined_Atom_Stereo_Count	0
5351548	Mono_Isotopic_Weight	841.44598505
4194	Hydrogen_Bond_Donor_Count	1
15627	Rotatable_Bond_Count	2
443067	Tautomer_Count	4
7464	Total_Formal_Charge	0
55855	Defined_Atom_Stereo_Count	3
34332	Hydrogen_Bond_Donor_Count	0
547031	Hydrogen_Bond_Donor_Count	2
60028369	Undefined_Atom_Stereo_Count	0
13527	Defined_Bond_Stereo_Count	0
4259	Exact_Mass	401.17508442
3048	XLogP3-AA	3.7
11608786	Undefined_Atom_Stereo_Count	0
25058411	Defined_Atom_Stereo_Count	6
42761	XLogP3	3.7
5382104	Rotatable_Bond_Count	8
21349800	Mono_Isotopic_Weight	111.032028402
403821	Undefined_Atom_Stereo_Count	1
18314227	Mono_Isotopic_Weight	99.104799419
87105125	Hydrogen_Bond_Acceptor_Count	2
295764	Isotope_Atom_Count	0
2076	Non-hydrogen_Atom_Count	40
22481615	Isotope_Atom_Count	0
119119	Molecular_Weight	451.16
542556	Defined_Bond_Stereo_Count	0
17656	Total_Formal_Charge	0
36131	Rotatable_Bond_Count	9
216454	Undefined_Bond_Stereo_Count	0
95434	Exact_Mass	114.104465066
76008	Defined_Bond_Stereo_Count	0
12948	TPSA	129
26956	Defined_Bond_Stereo_Count	0
14081	Defined_Atom_Stereo_Count	0
13045210	Undefined_Bond_Stereo_Count	0
88290	Molecular_Weight	132.23
451068	TPSA	57.7
1480	Molecular_Weight	255.5
12868288	Undefined_Bond_Stereo_Count	0
96312	Mono_Isotopic_Weight	297.10731860
54012932	Hydrogen_Bond_Acceptor_Count	3
40024	Mono_Isotopic_Weight	296.12598835
22612	XLogP3-AA	1
156963402	Defined_Bond_Stereo_Count	1
64964	Mono_Isotopic_Weight	200.20009678
1343	Molecular_Weight	226.19
23430	Exact_Mass	448.18456586
131451243	Molecular_Weight	95.10
156617950	Defined_Atom_Stereo_Count	10
59660022	Hydrogen_Bond_Donor_Count	1
893947	Hydrogen_Bond_Acceptor_Count	2
70751	Exact_Mass	141.053826475
6344	Structure_Complexity	2.8
50009	Mono_Isotopic_Weight	334.00659
5262	Hydrogen_Bond_Donor_Count	4
96268	Undefined_Bond_Stereo_Count	0
1415	Mono_Isotopic_Weight	336.23005950
1497	Total_Formal_Charge	0
688667	Exact_Mass	282.08920892
97725	TPSA	83.6
53714679	Structure_Complexity	161
561096	TPSA	0
84002	Tautomer_Count	2
32142	Exact_Mass	191.131014166
12066	Undefined_Bond_Stereo_Count	0
11009	Undefined_Bond_Stereo_Count	0
6858240	Hydrogen_Bond_Acceptor_Count	10
5284580	Covalent_Unit_Count	1
12646624	Non-hydrogen_Atom_Count	6
217842	Mono_Isotopic_Weight	313.99188038
439177	Defined_Bond_Stereo_Count	0
54422686	Molecular_Weight	103.12
4989215	Covalent_Unit_Count	1
66156	Tautomer_Count	1
12246933	Rotatable_Bond_Count	2
248580	Mono_Isotopic_Weight	161.084063974
26898	XLogP3-AA	3.4
498650	Undefined_Bond_Stereo_Count	1
5884629	Rotatable_Bond_Count	13
23269081	Defined_Atom_Stereo_Count	0
66601	XLogP3-AA	1.2
129095087	Non-hydrogen_Atom_Count	7
11492381	Hydrogen_Bond_Donor_Count	0
67548	Tautomer_Count	1
77541	Structure_Complexity	164
653145	Total_Formal_Charge	0
53426727	Covalent_Unit_Count	1
11074	Undefined_Bond_Stereo_Count	0
22049997	Defined_Atom_Stereo_Count	0
3662	Non-hydrogen_Atom_Count	39
3911	Mono_Isotopic_Weight	1208.64546218
44370729	Structure_Complexity	344
447407	Mono_Isotopic_Weight	228.11100700
91590	Exact_Mass	253.13611680
998021	TPSA	125
75673	Exact_Mass	265.22664588
289847	Total_Formal_Charge	0
62883	Hydrogen_Bond_Acceptor_Count	10
102102069	Rotatable_Bond_Count	2
590907	XLogP3-AA	4.5
5238474	Exact_Mass	262.121846464
3081185	Rotatable_Bond_Count	4
135005	Mono_Isotopic_Weight	196.063662883
5255	Defined_Bond_Stereo_Count	0
121207396	Structure_Complexity	134
14866914	Hydrogen_Bond_Donor_Count	0
70694392	Rotatable_Bond_Count	5
9294	Exact_Mass	165.115364102
73433376	Non-hydrogen_Atom_Count	7
57656833	Non-hydrogen_Atom_Count	28
449107	Molecular_Weight	531.7
903168	Defined_Atom_Stereo_Count	0
13032471	Hydrogen_Bond_Donor_Count	0
593578	Isotope_Atom_Count	0
68535	Non-hydrogen_Atom_Count	6
30544	Isotope_Atom_Count	0
15939272	Total_Formal_Charge	0
21894	Mono_Isotopic_Weight	136.027277375
279062	Total_Formal_Charge	0
15677	Undefined_Bond_Stereo_Count	0
10470886	Mono_Isotopic_Weight	314.14912384
13627693	Structure_Complexity	78.6
16303	Exact_Mass	163.099714038
6433547	Non-hydrogen_Atom_Count	12
2734903	Hydrogen_Bond_Donor_Count	0
21660	Structure_Complexity	346
6918606	Isotope_Atom_Count	0
57691826	TPSA	110
163798512	Exact_Mass	665.30474055
123723	Defined_Atom_Stereo_Count	1
534258	XLogP3-AA	1.4
7940	Isotope_Atom_Count	0
18974460	Exact_Mass	115.026943022
6453100	Hydrogen_Bond_Acceptor_Count	4
71541293	Exact_Mass	245.141578849
6433951	Undefined_Atom_Stereo_Count	0
12284127	Mono_Isotopic_Weight	116.083729621
31229	Undefined_Atom_Stereo_Count	0
16412	Defined_Bond_Stereo_Count	0
69251	TPSA	17.1
99807	Total_Formal_Charge	0
5702236	Defined_Atom_Stereo_Count	0
91329391	Hydrogen_Bond_Acceptor_Count	1
44560574	Defined_Atom_Stereo_Count	1
13590	Defined_Bond_Stereo_Count	0
448457	Total_Formal_Charge	0
57394389	Defined_Bond_Stereo_Count	0
3775	Undefined_Atom_Stereo_Count	0
20165534	Total_Formal_Charge	0
19137	Structure_Complexity	227
20753138	Hydrogen_Bond_Acceptor_Count	0
11962267	Undefined_Bond_Stereo_Count	0
124201453	Undefined_Atom_Stereo_Count	2
90047364	TPSA	62.7
135626366	Undefined_Atom_Stereo_Count	0
54767229	Hydrogen_Bond_Acceptor_Count	5
74764658	Non-hydrogen_Atom_Count	26
133633	Defined_Bond_Stereo_Count	0
62876	Mono_Isotopic_Weight	222.161979940
7985	Undefined_Bond_Stereo_Count	0
25072736	Non-hydrogen_Atom_Count	30
24685	Hydrogen_Bond_Acceptor_Count	2
520660	Non-hydrogen_Atom_Count	7
10186986	Exact_Mass	535.21072103
5045	Defined_Bond_Stereo_Count	0
97747	Non-hydrogen_Atom_Count	18
2546	Covalent_Unit_Count	1
557816	Mono_Isotopic_Weight	112.052429494
6857474	Defined_Atom_Stereo_Count	0
443878	Mono_Isotopic_Weight	475.25700252
68353	Hydrogen_Bond_Donor_Count	0
750287	Isotope_Atom_Count	0
6604087	Non-hydrogen_Atom_Count	37
284314	Defined_Atom_Stereo_Count	0
56082	XLogP3-AA	3.6
89127533	Total_Formal_Charge	0
5359272	TPSA	23.5
135391142	Covalent_Unit_Count	3
5608	Structure_Complexity	1420
23284	Total_Formal_Charge	0
9570639	Covalent_Unit_Count	1
1548971	Non-hydrogen_Atom_Count	30
2073	Non-hydrogen_Atom_Count	24
404422	Rotatable_Bond_Count	5
21895931	Covalent_Unit_Count	1
5965	Covalent_Unit_Count	3
45266908	Non-hydrogen_Atom_Count	46
13416	Non-hydrogen_Atom_Count	12
103544	Covalent_Unit_Count	1
57768583	Isotope_Atom_Count	0
150718	Rotatable_Bond_Count	2
6150	Structure_Complexity	465
2853	Mono_Isotopic_Weight	515.27438392
11507	XLogP3-AA	3.7
85518914	XLogP3-AA	0.1
246724	TPSA	18.5
3034368	Exact_Mass	538.749951
26398	Undefined_Atom_Stereo_Count	0
58180	Tautomer_Count	1
20684416	Defined_Bond_Stereo_Count	0
86211	Structure_Complexity	387
53807546	XLogP3-AA	0.8
92821	Defined_Bond_Stereo_Count	0
70447	Defined_Bond_Stereo_Count	0
67248272	Hydrogen_Bond_Acceptor_Count	2
83832	Defined_Atom_Stereo_Count	0
156618186	Undefined_Atom_Stereo_Count	0
65072	Molecular_Weight	189.21
25127299	TPSA	67.9
18722856	Structure_Complexity	106
7252	Undefined_Atom_Stereo_Count	0
5282321	Non-hydrogen_Atom_Count	42
5948	Covalent_Unit_Count	1
76449347	Defined_Atom_Stereo_Count	0
139062656	Total_Formal_Charge	0
9467	Tautomer_Count	1
91171	Rotatable_Bond_Count	3
15940197	Hydrogen_Bond_Donor_Count	5
10920474	Undefined_Bond_Stereo_Count	0
5353356	Exact_Mass	198.03890469
57687	Hydrogen_Bond_Acceptor_Count	4
3082042	Mono_Isotopic_Weight	930.50757173
92303	Covalent_Unit_Count	2
298391	Defined_Bond_Stereo_Count	0
12241264	Isotope_Atom_Count	0
202225	Hydrogen_Bond_Donor_Count	0
85570	Tautomer_Count	1
139585852	Hydrogen_Bond_Donor_Count	0
287071	Undefined_Bond_Stereo_Count	0
19937448	Structure_Complexity	170
57448758	Isotope_Atom_Count	0
2968	Isotope_Atom_Count	0
54393307	Hydrogen_Bond_Donor_Count	0
527511	Undefined_Atom_Stereo_Count	0
22932	XLogP3	7.4
2129	Hydrogen_Bond_Donor_Count	2
60196293	Structure_Complexity	528
67246553	Molecular_Weight	372.4
44404716	Hydrogen_Bond_Donor_Count	0
44296776	XLogP3-AA	4.3
54316980	Exact_Mass	99.068413911
15853020	Hydrogen_Bond_Acceptor_Count	2
318158	XLogP3-AA	1
15485370	TPSA	66.8
82153	Isotope_Atom_Count	0
89000581	Molecular_Weight	180.16
4532218	Rotatable_Bond_Count	0
44237243	Exact_Mass	317.06612775
7767	Total_Formal_Charge	0
216294	Exact_Mass	452.21720340
11945	Non-hydrogen_Atom_Count	13
1549103	Total_Formal_Charge	0
56682411	Isotope_Atom_Count	0
409746	Undefined_Bond_Stereo_Count	0
57478179	Undefined_Bond_Stereo_Count	0
12389638	Hydrogen_Bond_Acceptor_Count	0
118008485	Isotope_Atom_Count	0
228	Non-hydrogen_Atom_Count	27
14385	Total_Formal_Charge	0
6324599	Covalent_Unit_Count	2
688009	Defined_Atom_Stereo_Count	2
21312677	Defined_Bond_Stereo_Count	0
101019202	Hydrogen_Bond_Acceptor_Count	8
141	Defined_Bond_Stereo_Count	0
25127621	Defined_Bond_Stereo_Count	0
447966	Undefined_Atom_Stereo_Count	0
566032	XLogP3-AA	2.4
391	Isotope_Atom_Count	0
131170	Molecular_Weight	216.62
59281	Rotatable_Bond_Count	2
520540	Total_Formal_Charge	0
23662369	Rotatable_Bond_Count	5
6441265	Structure_Complexity	1880
54576693	Exact_Mass	410.0957244
16129670	Rotatable_Bond_Count	132
76720	Tautomer_Count	1
2724883	Mono_Isotopic_Weight	215.094628657
267493	Covalent_Unit_Count	1
53394791	Defined_Atom_Stereo_Count	0
405298	Mono_Isotopic_Weight	366.08766640
29805	Total_Formal_Charge	0
12022	Hydrogen_Bond_Acceptor_Count	1
21322	Undefined_Bond_Stereo_Count	0
143337	Molecular_Weight	284.48
118193	Structure_Complexity	72.6
57401151	Total_Formal_Charge	0
137426	Undefined_Bond_Stereo_Count	0
66296	Non-hydrogen_Atom_Count	7
71583051	Non-hydrogen_Atom_Count	31
10109058	Molecular_Weight	358.5
15088	Molecular_Weight	194.18
87905888	Hydrogen_Bond_Donor_Count	2
6451325	Hydrogen_Bond_Donor_Count	5
10953454	Hydrogen_Bond_Donor_Count	0
68169200	Mono_Isotopic_Weight	110.073164938
164106781	TPSA	101
2757950	TPSA	61.1
629365	Undefined_Atom_Stereo_Count	0
5311504	Structure_Complexity	963
5287851	Covalent_Unit_Count	1
6993950	Defined_Atom_Stereo_Count	0
24849134	Undefined_Bond_Stereo_Count	0
5479494	TPSA	169
2097	Undefined_Bond_Stereo_Count	0
7721	Total_Formal_Charge	0
19759614	Undefined_Bond_Stereo_Count	0
9784	Hydrogen_Bond_Donor_Count	2
6535	Undefined_Atom_Stereo_Count	0
584645	Isotope_Atom_Count	0
15174590	Non-hydrogen_Atom_Count	8
12704953	Covalent_Unit_Count	1
133587580	Hydrogen_Bond_Acceptor_Count	14
9819	Defined_Bond_Stereo_Count	0
67443	Defined_Atom_Stereo_Count	0
986	Covalent_Unit_Count	1
73653998	Hydrogen_Bond_Donor_Count	2
69342109	Non-hydrogen_Atom_Count	8
532	Defined_Bond_Stereo_Count	0
184	Covalent_Unit_Count	1
667490	Defined_Atom_Stereo_Count	0
9568700	Molecular_Weight	206.27
49050	Hydrogen_Bond_Acceptor_Count	3
5493444	Molecular_Weight	551.8
8223	Total_Formal_Charge	0
51029604	Rotatable_Bond_Count	2
135923480	Isotope_Atom_Count	0
14743344	Covalent_Unit_Count	1
17884	Undefined_Bond_Stereo_Count	0
738681	Undefined_Atom_Stereo_Count	0
10326800	Exact_Mass	640.36247064
6918146	Defined_Atom_Stereo_Count	0
10785752	Mono_Isotopic_Weight	376.15354051
57750369	Structure_Complexity	708
343	Total_Formal_Charge	0
170231	Structure_Complexity	408
53757199	Molecular_Weight	100.12
6064	Undefined_Atom_Stereo_Count	0
29373	Isotope_Atom_Count	0
33741	Structure_Complexity	282
76403	Mono_Isotopic_Weight	207.924948
46205407	Exact_Mass	648.31346959
10101269	Isotope_Atom_Count	0
85805628	Isotope_Atom_Count	0
80376	Undefined_Bond_Stereo_Count	0
3018598	Hydrogen_Bond_Acceptor_Count	6
9813758	Molecular_Weight	255.32
22841634	Rotatable_Bond_Count	2
71884	XLogP3	2.8
285097	Non-hydrogen_Atom_Count	13
11863	TPSA	0
52005	Exact_Mass	340.98519
413487	Undefined_Bond_Stereo_Count	0
139099	Exact_Mass	100.088815002
20474	Structure_Complexity	107
627679	Hydrogen_Bond_Acceptor_Count	4
882889	Defined_Atom_Stereo_Count	0
315341	Molecular_Weight	173.17
317678	Non-hydrogen_Atom_Count	7
5288252	Total_Formal_Charge	0
16683704	Total_Formal_Charge	0
20983	Total_Formal_Charge	0
89152969	Structure_Complexity	78.5
5288033	Hydrogen_Bond_Donor_Count	1
134129158	Covalent_Unit_Count	1
68363	Covalent_Unit_Count	1
2723730	Exact_Mass	155.0349209
118897473	TPSA	51.8
95010	Covalent_Unit_Count	1
10243	Rotatable_Bond_Count	1
817122	Defined_Atom_Stereo_Count	0
15394	Hydrogen_Bond_Acceptor_Count	1
9823887	Molecular_Weight	428.4
11151622	Undefined_Bond_Stereo_Count	0
66704467	Defined_Bond_Stereo_Count	0
27195	Rotatable_Bond_Count	2
9993573	Exact_Mass	276.02700259
44571224	Undefined_Bond_Stereo_Count	0
6579	TPSA	43.1
21932803	Defined_Atom_Stereo_Count	0
10093379	Total_Formal_Charge	0
941650	Structure_Complexity	711
60961	Defined_Bond_Stereo_Count	0
5282411	TPSA	87
156582420	TPSA	87
6436730	TPSA	319
87365092	Molecular_Weight	152.19
9837352	Undefined_Bond_Stereo_Count	0
58714	Mono_Isotopic_Weight	197.116426730
23677832	Tautomer_Count	1
330654	Isotope_Atom_Count	0
11263471	Covalent_Unit_Count	1
139171223	Non-hydrogen_Atom_Count	47
110835	Covalent_Unit_Count	2
123249588	Mono_Isotopic_Weight	416.32904526
38019	Total_Formal_Charge	0
2653	Undefined_Atom_Stereo_Count	2
45120722	Rotatable_Bond_Count	0
7530	Undefined_Bond_Stereo_Count	0
25151352	Defined_Atom_Stereo_Count	0
25058186	Rotatable_Bond_Count	2
86256506	Structure_Complexity	87.7
78874	Isotope_Atom_Count	0
10772946	Structure_Complexity	74.1
67678949	Hydrogen_Bond_Donor_Count	0
57484	Defined_Atom_Stereo_Count	0
102452877	Total_Formal_Charge	0
102491	Molecular_Weight	158.24
16158207	Exact_Mass	1585.4110510
10112	Isotope_Atom_Count	0
24965990	Structure_Complexity	664
6436924	Defined_Atom_Stereo_Count	0
62960	Defined_Atom_Stereo_Count	2
33944	Tautomer_Count	1
31315	Undefined_Bond_Stereo_Count	0
10898949	Total_Formal_Charge	0
136081	Tautomer_Count	1
8593	Undefined_Atom_Stereo_Count	0
2826718	Defined_Atom_Stereo_Count	14
6327	TPSA	0
6049	Defined_Bond_Stereo_Count	0
91490	Defined_Bond_Stereo_Count	0
45488108	Defined_Atom_Stereo_Count	1
73148	Undefined_Bond_Stereo_Count	0
396765	Hydrogen_Bond_Acceptor_Count	2
127150	Hydrogen_Bond_Acceptor_Count	7
11146968	Hydrogen_Bond_Acceptor_Count	7
129814671	Mono_Isotopic_Weight	137.03892530
6956	Defined_Atom_Stereo_Count	0
34591	Tautomer_Count	2
160458	Structure_Complexity	97.1
12513422	Hydrogen_Bond_Acceptor_Count	1
33503	Non-hydrogen_Atom_Count	15
22082546	Non-hydrogen_Atom_Count	7
163201191	Defined_Atom_Stereo_Count	0
6538981	Mono_Isotopic_Weight	486.1337794
40469150	Hydrogen_Bond_Acceptor_Count	11
5281576	TPSA	83.8
2799	Defined_Bond_Stereo_Count	0
57266564	Isotope_Atom_Count	0
71834	Undefined_Bond_Stereo_Count	0
103439594	Hydrogen_Bond_Acceptor_Count	2
80416	Undefined_Atom_Stereo_Count	0
57112474	Molecular_Weight	114.19
10931404	TPSA	37.3
1882	Non-hydrogen_Atom_Count	16
11727234	Rotatable_Bond_Count	1
5384411	Isotope_Atom_Count	0
129851046	TPSA	37.3
160419	Defined_Atom_Stereo_Count	0
11288	Hydrogen_Bond_Donor_Count	3
153709385	Total_Formal_Charge	0
154132	Mono_Isotopic_Weight	354.0901833
6432	Hydrogen_Bond_Acceptor_Count	8
3100	Undefined_Bond_Stereo_Count	0
44345361	Defined_Bond_Stereo_Count	0
58206	Undefined_Atom_Stereo_Count	0
19027761	Molecular_Weight	109.13
36005	Undefined_Atom_Stereo_Count	0
23695324	Exact_Mass	305.99225140
24309	Hydrogen_Bond_Donor_Count	1
4011	Defined_Bond_Stereo_Count	0
74685	Hydrogen_Bond_Acceptor_Count	2
15066029	Molecular_Weight	116.16
2346	Molecular_Weight	149.21
3430	Isotope_Atom_Count	0
23723057	Undefined_Bond_Stereo_Count	0
7663	Isotope_Atom_Count	0
71905	Hydrogen_Bond_Acceptor_Count	5
153852218	XLogP3-AA	0
465818	Mono_Isotopic_Weight	369.0801570
67486	Mono_Isotopic_Weight	168.068748264
18345891	Undefined_Bond_Stereo_Count	0
21595393	Hydrogen_Bond_Donor_Count	1
69341007	Hydrogen_Bond_Acceptor_Count	2
20055294	Structure_Complexity	1330
443151	Undefined_Bond_Stereo_Count	0
53990905	Isotope_Atom_Count	0
347880	Structure_Complexity	216
69462056	Rotatable_Bond_Count	0
124524515	Hydrogen_Bond_Acceptor_Count	11
23647685	TPSA	186
145994360	Undefined_Atom_Stereo_Count	0
2724279	Molecular_Weight	118.13
59638	Mono_Isotopic_Weight	309.278012748
72200444	Isotope_Atom_Count	0
141130780	Defined_Bond_Stereo_Count	0
137547	Mono_Isotopic_Weight	84.021129366
99382	Undefined_Atom_Stereo_Count	0
56670167	Rotatable_Bond_Count	4
46174110	Covalent_Unit_Count	2
42633	Exact_Mass	467.28830265
9812790	Hydrogen_Bond_Donor_Count	0
14296346	Undefined_Bond_Stereo_Count	0
123134107	Undefined_Bond_Stereo_Count	0
7572	Rotatable_Bond_Count	4
123749022	Mono_Isotopic_Weight	86.084398327
11254	Mono_Isotopic_Weight	86.036779430
14063315	Hydrogen_Bond_Donor_Count	0
20311319	Rotatable_Bond_Count	0
143713444	Hydrogen_Bond_Acceptor_Count	1
39214	XLogP3	0.4
881	Hydrogen_Bond_Donor_Count	0
10537	Defined_Bond_Stereo_Count	0
21322	Tautomer_Count	2
68284	Exact_Mass	163.00918496
8254	Rotatable_Bond_Count	0
143392159	Undefined_Bond_Stereo_Count	0
25008767	Hydrogen_Bond_Donor_Count	3
444683	Mono_Isotopic_Weight	74.073164938
37419	Covalent_Unit_Count	1
12233	Hydrogen_Bond_Donor_Count	1
20055509	Undefined_Bond_Stereo_Count	0
143440	Rotatable_Bond_Count	3
2377	XLogP3-AA	4.1
13710569	Total_Formal_Charge	0
12417	Isotope_Atom_Count	0
5702541	Defined_Bond_Stereo_Count	1
7642	XLogP3-AA	8.5
2375	Isotope_Atom_Count	0
11953897	Exact_Mass	1322.0938467
3033031	Undefined_Bond_Stereo_Count	0
14340	Exact_Mass	196.07355886
3663247	Defined_Bond_Stereo_Count	0
68322184	Isotope_Atom_Count	0
33751	Total_Formal_Charge	0
14502	Covalent_Unit_Count	1
104609	Rotatable_Bond_Count	4
90916291	Hydrogen_Bond_Donor_Count	1
139062656	Molecular_Weight	2357.2
1584822	Isotope_Atom_Count	0
342238	Defined_Atom_Stereo_Count	0
23488	Undefined_Bond_Stereo_Count	0
58691	Covalent_Unit_Count	2
6116	Isotope_Atom_Count	0
6453851	Defined_Atom_Stereo_Count	0
219096	Undefined_Atom_Stereo_Count	2
456058	Defined_Atom_Stereo_Count	7
8383	Undefined_Atom_Stereo_Count	0
23187765	Defined_Atom_Stereo_Count	0
7239	Isotope_Atom_Count	0
10197668	Mono_Isotopic_Weight	117.078978594
441014	Exact_Mass	342.11621151
16738693	Defined_Atom_Stereo_Count	2
15466978	Total_Formal_Charge	0
55511	Non-hydrogen_Atom_Count	17
27290	XLogP3-AA	0.6
52361	Rotatable_Bond_Count	7
69808	Structure_Complexity	59.1
91301203	Isotope_Atom_Count	0
8660	Structure_Complexity	229
9838284	Structure_Complexity	319
76965007	Structure_Complexity	506
23662389	Mono_Isotopic_Weight	361.03445057
12003287	Molecular_Weight	180.16
5466139	Undefined_Atom_Stereo_Count	0
44119608	Undefined_Atom_Stereo_Count	0
56626	Molecular_Weight	323.4
71643	Covalent_Unit_Count	1
62795	Exact_Mass	453.25152322
46943323	Hydrogen_Bond_Acceptor_Count	6
5367417	Molecular_Weight	80.13
2144	Defined_Bond_Stereo_Count	0
26631	Covalent_Unit_Count	1
50537	Exact_Mass	423.1037849
101914	Exact_Mass	131.94250
46174141	Defined_Bond_Stereo_Count	1
565589	Undefined_Atom_Stereo_Count	2
440968	Defined_Atom_Stereo_Count	2
54518010	Covalent_Unit_Count	1
10509	Covalent_Unit_Count	1
76192	Mono_Isotopic_Weight	203.9744848
7652	Hydrogen_Bond_Donor_Count	0
10643403	Non-hydrogen_Atom_Count	25
26428	Molecular_Weight	153.18
6993773	Covalent_Unit_Count	1
72200142	Non-hydrogen_Atom_Count	42
71459167	TPSA	85.8
398739	Non-hydrogen_Atom_Count	19
135270107	Non-hydrogen_Atom_Count	8
398627	Undefined_Bond_Stereo_Count	0
13586830	Undefined_Atom_Stereo_Count	0
40468	Isotope_Atom_Count	0
34461	Structure_Complexity	295
133662560	TPSA	110
32169	Rotatable_Bond_Count	7
657250	Non-hydrogen_Atom_Count	47
15209807	Defined_Atom_Stereo_Count	0
70989	Undefined_Bond_Stereo_Count	0
90757303	Exact_Mass	93.057849228
122173791	TPSA	67.2
2358	Tautomer_Count	3
866077	Defined_Atom_Stereo_Count	0
1365	Structure_Complexity	698
1095	Mono_Isotopic_Weight	254.01915430
76958180	Undefined_Bond_Stereo_Count	0
114831	Non-hydrogen_Atom_Count	12
69674285	Hydrogen_Bond_Acceptor_Count	1
72142	Hydrogen_Bond_Donor_Count	1
725544	Defined_Bond_Stereo_Count	0
10410468	Covalent_Unit_Count	1
8422	Molecular_Weight	202.21
32698	Rotatable_Bond_Count	4
12536731	Non-hydrogen_Atom_Count	8
72210	XLogP3-AA	1.4
53656122	Exact_Mass	177.07495584
76960246	Defined_Atom_Stereo_Count	9
28639	Defined_Bond_Stereo_Count	0
8473	Isotope_Atom_Count	0
67938	Rotatable_Bond_Count	0
6986	Total_Formal_Charge	0
55220664	Molecular_Weight	98.15
52987927	Defined_Bond_Stereo_Count	0
6554040	Hydrogen_Bond_Acceptor_Count	4
5560	Defined_Bond_Stereo_Count	0
31099	Structure_Complexity	254
6973664	Total_Formal_Charge	0
44565798	Undefined_Bond_Stereo_Count	0
56929	Undefined_Bond_Stereo_Count	0
454386	Tautomer_Count	5
57173187	Structure_Complexity	90.7
91260	Defined_Atom_Stereo_Count	0
137705128	Covalent_Unit_Count	1
637932	Exact_Mass	84.05512859
64644	Tautomer_Count	5
20396384	Hydrogen_Bond_Donor_Count	1
2604	Molecular_Weight	268.31
59830693	Undefined_Bond_Stereo_Count	0
15566577	XLogP3-AA	0
7520	Undefined_Bond_Stereo_Count	0
15565709	Defined_Atom_Stereo_Count	1
54272739	Mono_Isotopic_Weight	86.084398327
134688323	Covalent_Unit_Count	1
12836334	Non-hydrogen_Atom_Count	8
16211884	Rotatable_Bond_Count	1
215932	Undefined_Atom_Stereo_Count	0
135409471	Exact_Mass	313.0708448
16170150	Exact_Mass	1882.07388791
53320444	Undefined_Bond_Stereo_Count	0
5284556	Isotope_Atom_Count	0
2910	Structure_Complexity	758
47936	Undefined_Bond_Stereo_Count	0
23663624	Undefined_Bond_Stereo_Count	0
46235922	TPSA	98.1
69744	Isotope_Atom_Count	0
141543352	Hydrogen_Bond_Acceptor_Count	1
133568445	Defined_Atom_Stereo_Count	18
22198	Structure_Complexity	55.5
78398	Molecular_Weight	198.72
39897	Covalent_Unit_Count	2
9841596	Undefined_Bond_Stereo_Count	0
5315455	Hydrogen_Bond_Acceptor_Count	7
6099917	Non-hydrogen_Atom_Count	12
138961	Covalent_Unit_Count	1
418587	TPSA	238
13982269	Undefined_Bond_Stereo_Count	0
135749823	TPSA	250
93896	Structure_Complexity	219
135398619	Undefined_Atom_Stereo_Count	0
14359030	Defined_Bond_Stereo_Count	0
16219784	Mono_Isotopic_Weight	530.28796829
9376	Rotatable_Bond_Count	5
4599	Isotope_Atom_Count	0
33287	Molecular_Weight	126.22
448400	Molecular_Weight	248.11
162461	Covalent_Unit_Count	1
6539029	Undefined_Bond_Stereo_Count	0
97886	Structure_Complexity	238
10704662	Rotatable_Bond_Count	0
10224595	Undefined_Atom_Stereo_Count	0
84308	Non-hydrogen_Atom_Count	6
40361	Defined_Bond_Stereo_Count	0
71555	Total_Formal_Charge	0
38081	Covalent_Unit_Count	1
3081317	Covalent_Unit_Count	1
969108	Mono_Isotopic_Weight	301.17902698
709156	Hydrogen_Bond_Donor_Count	0
5354499	Hydrogen_Bond_Donor_Count	0
74390	Rotatable_Bond_Count	7
21158559	Hydrogen_Bond_Donor_Count	2
838844	Molecular_Weight	239.07
36689718	Molecular_Weight	117.15
130802	Hydrogen_Bond_Donor_Count	1
95116	Exact_Mass	210.00205114
5328	Defined_Atom_Stereo_Count	0
546946	Structure_Complexity	52
21115436	Hydrogen_Bond_Acceptor_Count	4
136592	Defined_Bond_Stereo_Count	0
101074209	Undefined_Atom_Stereo_Count	2
245005	TPSA	153
6857538	Tautomer_Count	1
45878	Hydrogen_Bond_Donor_Count	0
398635	Covalent_Unit_Count	1
2063927	Defined_Atom_Stereo_Count	0
53835225	XLogP3-AA	1.4
105426930	Rotatable_Bond_Count	0
71464628	Non-hydrogen_Atom_Count	30
158815	Molecular_Weight	165.23
378309	XLogP3-AA	2.3
121323963	Exact_Mass	112.052429494
136394	Covalent_Unit_Count	1
24762	Undefined_Atom_Stereo_Count	0
94232	Defined_Atom_Stereo_Count	0
53319933	Molecular_Weight	242.30
15394	Isotope_Atom_Count	0
139595130	Hydrogen_Bond_Acceptor_Count	16
5281575	Covalent_Unit_Count	1
66053	Defined_Bond_Stereo_Count	0
120057	Undefined_Bond_Stereo_Count	0
53664307	Covalent_Unit_Count	1
41428	Undefined_Bond_Stereo_Count	0
24860971	Covalent_Unit_Count	1
2724032	Total_Formal_Charge	0
12262509	Isotope_Atom_Count	0
41625	Hydrogen_Bond_Acceptor_Count	4
6485793	Non-hydrogen_Atom_Count	28
129194081	Total_Formal_Charge	0
70447	Undefined_Atom_Stereo_Count	0
3032732	Hydrogen_Bond_Donor_Count	0
5076	Exact_Mass	720.31276100
644077	Undefined_Bond_Stereo_Count	0
10154060	Defined_Atom_Stereo_Count	0
94297	Rotatable_Bond_Count	2
155977984	Hydrogen_Bond_Acceptor_Count	1
54707177	Structure_Complexity	1230
135459645	Undefined_Bond_Stereo_Count	2
61205	Defined_Bond_Stereo_Count	0
10409873	Hydrogen_Bond_Acceptor_Count	7
16051	XLogP3-AA	4
69627068	Non-hydrogen_Atom_Count	8
64992857	Molecular_Weight	113.16
40443	Undefined_Atom_Stereo_Count	3
22023476	XLogP3-AA	0.6
13077	Defined_Bond_Stereo_Count	0
24739911	Defined_Atom_Stereo_Count	0
41555	Undefined_Atom_Stereo_Count	0
45380791	Hydrogen_Bond_Acceptor_Count	7
68156	Defined_Bond_Stereo_Count	0
11372	Hydrogen_Bond_Acceptor_Count	0
3585	Rotatable_Bond_Count	3
19027815	Hydrogen_Bond_Acceptor_Count	0
2691	Undefined_Bond_Stereo_Count	0
101561	Covalent_Unit_Count	1
49827815	Mono_Isotopic_Weight	505.31920885
38945	Molecular_Weight	192.26
148244549	TPSA	41.8
156284	Defined_Atom_Stereo_Count	3
14626842	Molecular_Weight	420.5
5187	Hydrogen_Bond_Acceptor_Count	7
7048538	Exact_Mass	299.201105100
72851	Hydrogen_Bond_Acceptor_Count	1
285725	TPSA	41.5
58207	Defined_Atom_Stereo_Count	0
11865405	Hydrogen_Bond_Donor_Count	2
118855925	Rotatable_Bond_Count	1
81349	TPSA	32.5
118771	Mono_Isotopic_Weight	265.18216827
46193078	Non-hydrogen_Atom_Count	20
85307823	Total_Formal_Charge	0
400433	Defined_Atom_Stereo_Count	0
84647654	Defined_Bond_Stereo_Count	0
68323	Defined_Atom_Stereo_Count	0
20275	Undefined_Bond_Stereo_Count	0
66783827	Undefined_Bond_Stereo_Count	0
22406051	Undefined_Atom_Stereo_Count	2
5880	Defined_Atom_Stereo_Count	7
15991574	Hydrogen_Bond_Acceptor_Count	5
28230148	Isotope_Atom_Count	0
14294904	Covalent_Unit_Count	1
2679179	Defined_Bond_Stereo_Count	0
47675	Non-hydrogen_Atom_Count	16
76497	Defined_Bond_Stereo_Count	0
54712709	Rotatable_Bond_Count	2
19595920	Hydrogen_Bond_Donor_Count	0
84715993	TPSA	49.8
13000487	Defined_Atom_Stereo_Count	0
101988841	Exact_Mass	17.0375768735
277826	Hydrogen_Bond_Acceptor_Count	1
9954083	XLogP3	4.5
136183544	Non-hydrogen_Atom_Count	31
9817917	TPSA	135
71458869	Non-hydrogen_Atom_Count	34
8114	Defined_Atom_Stereo_Count	0
160312	Covalent_Unit_Count	1
10029970	Non-hydrogen_Atom_Count	38
449107	Defined_Atom_Stereo_Count	2
72760	Non-hydrogen_Atom_Count	18
154169249	Undefined_Atom_Stereo_Count	2
444679	TPSA	20.2
6369388	Rotatable_Bond_Count	3
54025111	Undefined_Bond_Stereo_Count	0
90127741	Defined_Atom_Stereo_Count	0
61908225	Defined_Atom_Stereo_Count	0
423792	Hydrogen_Bond_Acceptor_Count	3
20670051	Hydrogen_Bond_Donor_Count	2
20974	Non-hydrogen_Atom_Count	14
69732358	Isotope_Atom_Count	0
8411	Hydrogen_Bond_Acceptor_Count	4
67248528	Total_Formal_Charge	0
146158627	Mono_Isotopic_Weight	1406.74927579
8445	Defined_Atom_Stereo_Count	0
1381	Exact_Mass	408.18886022
11573	Hydrogen_Bond_Donor_Count	0
21613900	Molecular_Weight	111.10
10127622	Covalent_Unit_Count	1
70751	Isotope_Atom_Count	0
9964081	Structure_Complexity	99.8
75712	Undefined_Bond_Stereo_Count	0
45270539	Undefined_Atom_Stereo_Count	0
55182	Covalent_Unit_Count	3
15889752	Mono_Isotopic_Weight	102.068079557
6427057	Rotatable_Bond_Count	8
90495	Defined_Atom_Stereo_Count	0
32797	Mono_Isotopic_Weight	410.1660152
44389437	Total_Formal_Charge	0
37933	Structure_Complexity	414
22763696	Hydrogen_Bond_Acceptor_Count	2
88269064	Exact_Mass	113.047678466
228005	Undefined_Atom_Stereo_Count	0
88317	XLogP3-AA	0.8
5329047	Total_Formal_Charge	0
61571	Hydrogen_Bond_Donor_Count	0
53954226	Mono_Isotopic_Weight	169.063997236
4578030	Mono_Isotopic_Weight	300.13615911
11546620	Exact_Mass	437.19507097
16667711	Covalent_Unit_Count	1
87081618	Non-hydrogen_Atom_Count	10
37144	TPSA	17.1
107646	Exact_Mass	291.0192881
7252	Hydrogen_Bond_Acceptor_Count	2
7904	Exact_Mass	86.036779430
439195	Covalent_Unit_Count	1
12639	Undefined_Bond_Stereo_Count	0
28951015	Undefined_Atom_Stereo_Count	0
5281771	Molecular_Weight	786.7
99828	Molecular_Weight	236.3
47170034	Total_Formal_Charge	0
7274	Exact_Mass	126.068079557
123208701	Defined_Atom_Stereo_Count	0
131057	Molecular_Weight	241.29
26132	Total_Formal_Charge	0
6024	TPSA	167
24755478	TPSA	166
77998	Covalent_Unit_Count	2
97729	Total_Formal_Charge	0
10534621	Defined_Atom_Stereo_Count	0
8317	Rotatable_Bond_Count	0
8091	Defined_Atom_Stereo_Count	0
400769	Rotatable_Bond_Count	2
60663	Tautomer_Count	2
7773	Covalent_Unit_Count	1
95187	Mono_Isotopic_Weight	149.07014524
21136466	Total_Formal_Charge	0
9956726	Hydrogen_Bond_Acceptor_Count	9
8480	Hydrogen_Bond_Acceptor_Count	4
10219398	Total_Formal_Charge	0
8788	Structure_Complexity	219
9536	Non-hydrogen_Atom_Count	12
60904070	XLogP3-AA	1.2
21809017	Covalent_Unit_Count	1
10964334	Structure_Complexity	2320
46224600	Exact_Mass	1633.5887776
124770286	Hydrogen_Bond_Acceptor_Count	14
3553	Undefined_Atom_Stereo_Count	8
8489	Hydrogen_Bond_Acceptor_Count	2
316975	Covalent_Unit_Count	1
44521017	Structure_Complexity	427
6419765	Exact_Mass	261.05719778
54511	Mono_Isotopic_Weight	356.1866705
3718	TPSA	57.6
5748152	Molecular_Weight	324.4
91500	Total_Formal_Charge	0
9877343	Hydrogen_Bond_Donor_Count	0
85802	Isotope_Atom_Count	0
642765	Non-hydrogen_Atom_Count	8
9938	Molecular_Weight	130.19
55802	Structure_Complexity	164
77245	Covalent_Unit_Count	1
151148	Tautomer_Count	4
20823	Hydrogen_Bond_Donor_Count	1
2557	Mono_Isotopic_Weight	236.09094026
1077	Undefined_Atom_Stereo_Count	4
64915	Isotope_Atom_Count	0
33960	Rotatable_Bond_Count	4
135738852	Total_Formal_Charge	0
18357	Mono_Isotopic_Weight	195.068413911
202519	Tautomer_Count	11
565962	Covalent_Unit_Count	1
86266	Tautomer_Count	1
3715	Molecular_Weight	357.8
5619	TPSA	23.6
53846430	Defined_Atom_Stereo_Count	4
139030973	Defined_Bond_Stereo_Count	0
7720	Structure_Complexity	52.5
98207156	Hydrogen_Bond_Acceptor_Count	11
3034368	TPSA	181
446222	Mono_Isotopic_Weight	133.07389321
12187	Defined_Bond_Stereo_Count	0
44190035	Undefined_Bond_Stereo_Count	0
57565875	Undefined_Atom_Stereo_Count	0
24848360	Exact_Mass	297.14254485
20016	Covalent_Unit_Count	1
88951	Covalent_Unit_Count	1
65015	Undefined_Bond_Stereo_Count	0
96405	Mono_Isotopic_Weight	147.048427358
57484	Defined_Bond_Stereo_Count	0
85971419	Covalent_Unit_Count	1
13791	Molecular_Weight	356.5
57572416	Undefined_Bond_Stereo_Count	0
6125184	Non-hydrogen_Atom_Count	24
45039680	Hydrogen_Bond_Acceptor_Count	11
54292763	Mono_Isotopic_Weight	102.068079557
193450	Rotatable_Bond_Count	4
29629	Isotope_Atom_Count	0
70032924	Non-hydrogen_Atom_Count	7
72568	Rotatable_Bond_Count	9
67519	Mono_Isotopic_Weight	70.027946081
58737	XLogP3-AA	4.9
83909	Total_Formal_Charge	0
72196	Defined_Bond_Stereo_Count	0
104902	Exact_Mass	720.40329008
21843641	Undefined_Bond_Stereo_Count	0
12675	Exact_Mass	287.9808379
129865974	Isotope_Atom_Count	0
82502376	Isotope_Atom_Count	0
82752	Hydrogen_Bond_Donor_Count	0
20681276	Structure_Complexity	107
6473	Covalent_Unit_Count	1
6436223	Defined_Bond_Stereo_Count	4
155008	Tautomer_Count	809
846962	Isotope_Atom_Count	0
23422066	Mono_Isotopic_Weight	162.05416083
222548	Covalent_Unit_Count	1
439778	Mono_Isotopic_Weight	84.021129366
96522	Molecular_Weight	151.16
5370052	Covalent_Unit_Count	1
12725	Structure_Complexity	70.1
2734389	Hydrogen_Bond_Donor_Count	2
62705	Structure_Complexity	31
38963	Hydrogen_Bond_Donor_Count	2
194647	Hydrogen_Bond_Donor_Count	8
53183	XLogP3	3.2
822	Isotope_Atom_Count	0
94527	Isotope_Atom_Count	0
23677992	Structure_Complexity	932
153274062	TPSA	257
133126687	Undefined_Bond_Stereo_Count	0
25203153	Non-hydrogen_Atom_Count	7
138397	Mono_Isotopic_Weight	98.048012819
12132667	Non-hydrogen_Atom_Count	7
102090452	TPSA	320
57074	XLogP3-AA	4.4
32281	Defined_Bond_Stereo_Count	0
77737505	Hydrogen_Bond_Donor_Count	1
67175581	Total_Formal_Charge	0
136400	Rotatable_Bond_Count	0
11667893	Mono_Isotopic_Weight	373.19026037
4623	Undefined_Atom_Stereo_Count	0
2762838	TPSA	12.9
21604850	TPSA	23.8
11140	Rotatable_Bond_Count	1
58599	Hydrogen_Bond_Donor_Count	2
6169	Undefined_Atom_Stereo_Count	0
23712865	Hydrogen_Bond_Donor_Count	0
1374121	Molecular_Weight	463.6
93542	Hydrogen_Bond_Acceptor_Count	7
21067	Covalent_Unit_Count	1
32329	Molecular_Weight	273.37
6331	Covalent_Unit_Count	1
2690	Non-hydrogen_Atom_Count	20
192807	Hydrogen_Bond_Donor_Count	2
57751145	Molecular_Weight	99.09
6440397	Non-hydrogen_Atom_Count	22
13748845	Exact_Mass	405.21403034
455798	Undefined_Atom_Stereo_Count	0
13695806	Defined_Bond_Stereo_Count	0
20782688	Rotatable_Bond_Count	3
51047	Undefined_Bond_Stereo_Count	0
91586	Molecular_Weight	97.12
9820073	Hydrogen_Bond_Acceptor_Count	4
135415868	Non-hydrogen_Atom_Count	33
4708	Structure_Complexity	433
5289418	Exact_Mass	296.11609238
12968	Total_Formal_Charge	0
71484	Covalent_Unit_Count	3
9993	Rotatable_Bond_Count	0
5281609	Total_Formal_Charge	0
135445750	Isotope_Atom_Count	0
941	Isotope_Atom_Count	0
3349	Covalent_Unit_Count	1
7021	Undefined_Bond_Stereo_Count	1
10643636	Non-hydrogen_Atom_Count	27
60651	Hydrogen_Bond_Acceptor_Count	9
49517	Non-hydrogen_Atom_Count	41
11267	Covalent_Unit_Count	1
18915596	TPSA	26
54555	TPSA	29.5
9238	Exact_Mass	136.125200510
10771356	Hydrogen_Bond_Acceptor_Count	14
518733	Molecular_Weight	101.19
11672764	Hydrogen_Bond_Acceptor_Count	6
13844112	Undefined_Atom_Stereo_Count	0
9866767	Defined_Bond_Stereo_Count	0
107758	TPSA	308
143331072	Hydrogen_Bond_Donor_Count	0
96402	XLogP3	5.2
38642	Defined_Bond_Stereo_Count	0
102592515	Covalent_Unit_Count	1
381993	TPSA	85.1
523251	XLogP3-AA	1.4
36383	Defined_Bond_Stereo_Count	0
139637653	Non-hydrogen_Atom_Count	7
17358	TPSA	1
87251056	XLogP3-AA	0.3
14143522	Defined_Bond_Stereo_Count	0
90845	Hydrogen_Bond_Acceptor_Count	0
3531736	XLogP3-AA	5.1
12232	Isotope_Atom_Count	0
140181	Molecular_Weight	94.15
76216	Defined_Atom_Stereo_Count	0
79577298	TPSA	29.5
21339024	Covalent_Unit_Count	1
3034047	Tautomer_Count	1
82755	Total_Formal_Charge	0
2131	Exact_Mass	536.2684820
2833	TPSA	83.1
86398	Total_Formal_Charge	0
75310475	Isotope_Atom_Count	0
16186582	TPSA	824
68109743	Isotope_Atom_Count	0
3180466	Defined_Atom_Stereo_Count	0
2634	Exact_Mass	544.99158054
39056	Mono_Isotopic_Weight	295.157228913
23662389	Undefined_Atom_Stereo_Count	0
9877	Structure_Complexity	76.9
21884945	Undefined_Bond_Stereo_Count	0
452498	Total_Formal_Charge	0
20429	Undefined_Atom_Stereo_Count	1
17111	Mono_Isotopic_Weight	143.094628657
161765303	Defined_Bond_Stereo_Count	0
18212	Defined_Atom_Stereo_Count	0
11936	TPSA	0
115163	Exact_Mass	439.21409234
22636846	Undefined_Bond_Stereo_Count	0
3033769	Non-hydrogen_Atom_Count	22
6918988	Isotope_Atom_Count	0
5477380	XLogP3	5.9
9915	Isotope_Atom_Count	0
60618	Mono_Isotopic_Weight	349.16779360
163501159	Covalent_Unit_Count	1
9834591	Exact_Mass	235.01505818
19920	Covalent_Unit_Count	1
64000	Mono_Isotopic_Weight	439.11366728
54315893	Non-hydrogen_Atom_Count	8
16683101	Total_Formal_Charge	0
12940550	Hydrogen_Bond_Donor_Count	1
542882	Hydrogen_Bond_Donor_Count	0
15920952	Defined_Atom_Stereo_Count	0
54880	XLogP3	5.6
72728884	Exact_Mass	97.089149355
543565	Rotatable_Bond_Count	3
102601816	TPSA	110
11930	Exact_Mass	306.140850574
92425	Hydrogen_Bond_Acceptor_Count	5
9877357	Structure_Complexity	89.8
6407	XLogP3-AA	1.6
3038505	Non-hydrogen_Atom_Count	39
520682	Non-hydrogen_Atom_Count	7
20387241	Mono_Isotopic_Weight	99.104799419
122004	Exact_Mass	125.058911855
8892	TPSA	37.3
25160	Covalent_Unit_Count	1
96284	Total_Formal_Charge	0
188803	Hydrogen_Bond_Donor_Count	5
14283	Non-hydrogen_Atom_Count	9
556872	Structure_Complexity	105
5282386	TPSA	24.4
589692	Structure_Complexity	138
15988075	Mono_Isotopic_Weight	362.08782677
16052011	Molecular_Weight	1329.5
247469	Covalent_Unit_Count	1
6129	Defined_Atom_Stereo_Count	0
118374185	Hydrogen_Bond_Acceptor_Count	2
12713	TPSA	26.3
10301	Hydrogen_Bond_Acceptor_Count	2
99058	Hydrogen_Bond_Donor_Count	6
751	Rotatable_Bond_Count	2
20150	Hydrogen_Bond_Donor_Count	0
13275542	Defined_Atom_Stereo_Count	0
23665763	Isotope_Atom_Count	0
10723	Total_Formal_Charge	0
119097350	Mono_Isotopic_Weight	96.057514874
7359	Total_Formal_Charge	0
167	Undefined_Bond_Stereo_Count	0
6604816	Defined_Atom_Stereo_Count	12
98633	Rotatable_Bond_Count	3
22081030	Hydrogen_Bond_Donor_Count	0
5493321	Exact_Mass	408.12969158
17298	Molecular_Weight	219.28
11416	Isotope_Atom_Count	0
3052	Hydrogen_Bond_Donor_Count	0
15920061	Defined_Bond_Stereo_Count	0
119361	Molecular_Weight	312.2
42113	XLogP3-AA	2.6
87140770	Undefined_Atom_Stereo_Count	1
529333	Defined_Atom_Stereo_Count	0
759	Structure_Complexity	1720
5311424	Rotatable_Bond_Count	5
89602862	Undefined_Bond_Stereo_Count	0
66760	Exact_Mass	153.0093748
7749	Molecular_Weight	102.13
71680844	XLogP3-AA	2.7
66342	Structure_Complexity	309
472172	Covalent_Unit_Count	1
14106676	Molecular_Weight	114.14
54572793	Isotope_Atom_Count	0
71158	Defined_Atom_Stereo_Count	0
11469158	Undefined_Atom_Stereo_Count	0
140180	Non-hydrogen_Atom_Count	7
44392161	Undefined_Atom_Stereo_Count	0
24946799	Molecular_Weight	405.6
17756737	Hydrogen_Bond_Acceptor_Count	4
22140765	Defined_Atom_Stereo_Count	0
11332442	Defined_Bond_Stereo_Count	0
17166	TPSA	17.1
115157	Isotope_Atom_Count	0
6918496	TPSA	38.3
297930	Non-hydrogen_Atom_Count	44
101050964	Structure_Complexity	1630
4639	Defined_Bond_Stereo_Count	0
9395	Covalent_Unit_Count	1
643976	Rotatable_Bond_Count	7
44395044	Molecular_Weight	499.6
1151	Isotope_Atom_Count	0
6627	TPSA	0
70813	Mono_Isotopic_Weight	216.00674260
44339090	Hydrogen_Bond_Acceptor_Count	5
3658	Hydrogen_Bond_Acceptor_Count	4
45085022	Hydrogen_Bond_Donor_Count	1
136733	Exact_Mass	149.99041897
12202	Rotatable_Bond_Count	6
21312986	Mono_Isotopic_Weight	112.063662883
11671	Rotatable_Bond_Count	1
61868	Isotope_Atom_Count	0
22323434	Defined_Bond_Stereo_Count	0
14512532	Undefined_Bond_Stereo_Count	0
17131	Rotatable_Bond_Count	0
447508	Undefined_Bond_Stereo_Count	0
6672	Structure_Complexity	143
14866361	Defined_Atom_Stereo_Count	0
5543	Mono_Isotopic_Weight	303.001818
60154326	Defined_Bond_Stereo_Count	0
10784	Undefined_Bond_Stereo_Count	0
18711468	Mono_Isotopic_Weight	96.093900383
139449	Covalent_Unit_Count	1
138106567	Covalent_Unit_Count	13
62580	Undefined_Atom_Stereo_Count	0
139591683	Isotope_Atom_Count	0
170249	Undefined_Bond_Stereo_Count	0
10113	Isotope_Atom_Count	0
6145	Isotope_Atom_Count	0
135499741	Defined_Bond_Stereo_Count	0
5282203	Hydrogen_Bond_Donor_Count	1
12902	TPSA	20.2
9865223	Total_Formal_Charge	0
12586	Hydrogen_Bond_Donor_Count	0
77807	Defined_Bond_Stereo_Count	0
61868	XLogP3-AA	0.6
67564795	Rotatable_Bond_Count	1
15940185	TPSA	199
2734161	Isotope_Atom_Count	0
119095461	Hydrogen_Bond_Acceptor_Count	3
7612	Structure_Complexity	58.1
163872486	Defined_Atom_Stereo_Count	11
23533306	Rotatable_Bond_Count	4
1478923	Exact_Mass	265.0076608
53839028	XLogP3-AA	1.3
67631	TPSA	42.5
11954389	Rotatable_Bond_Count	5
8432	Defined_Bond_Stereo_Count	0
53763878	Hydrogen_Bond_Donor_Count	0
53778	Isotope_Atom_Count	0
59422203	TPSA	95.6
10606708	Defined_Atom_Stereo_Count	0
66342	Mono_Isotopic_Weight	292.121177757
445694	Exact_Mass	164.094963011
9796365	Structure_Complexity	431
54175	Mono_Isotopic_Weight	345.1706861
1046	Mono_Isotopic_Weight	123.043261792
5487888	Defined_Atom_Stereo_Count	2
1951	XLogP3	4.5
168256	Structure_Complexity	511
71734	Undefined_Bond_Stereo_Count	0
101946434	Isotope_Atom_Count	0
2372	Covalent_Unit_Count	1
12352	Defined_Bond_Stereo_Count	0
42754	Covalent_Unit_Count	1
5324585	Total_Formal_Charge	0
492405	Total_Formal_Charge	0
90766	TPSA	21.3
543112	Isotope_Atom_Count	0
56841936	Non-hydrogen_Atom_Count	13
114840	Rotatable_Bond_Count	2
182645	Hydrogen_Bond_Donor_Count	1
28308	Isotope_Atom_Count	0
213043	Rotatable_Bond_Count	5
133119158	Isotope_Atom_Count	2
10130120	Hydrogen_Bond_Acceptor_Count	5
83478540	Structure_Complexity	98.7
44320150	Covalent_Unit_Count	2
139087380	XLogP3-AA	6.8
49787001	Molecular_Weight	446.4
127516	Exact_Mass	378.18425212
91507903	Hydrogen_Bond_Acceptor_Count	3
165598	Tautomer_Count	2
11492406	Non-hydrogen_Atom_Count	16
71486	Undefined_Atom_Stereo_Count	1
441276	Undefined_Bond_Stereo_Count	0
39485	Defined_Atom_Stereo_Count	0
16750192	Isotope_Atom_Count	0
15077409	Defined_Bond_Stereo_Count	0
46204403	TPSA	54.4
24643	Exact_Mass	236.934287
4248	Rotatable_Bond_Count	12
135532293	Molecular_Weight	190.09
6366720	Defined_Bond_Stereo_Count	1
450484	Non-hydrogen_Atom_Count	22
79302	TPSA	20.2
129897177	Defined_Bond_Stereo_Count	2
6918973	Rotatable_Bond_Count	5
5491295	Non-hydrogen_Atom_Count	32
134687034	Total_Formal_Charge	0
259821	Undefined_Bond_Stereo_Count	0
73937	Total_Formal_Charge	0
24958200	Undefined_Atom_Stereo_Count	0
77232	Structure_Complexity	85.7
398747	TPSA	182
56846351	Rotatable_Bond_Count	4
6658	TPSA	26.3
131443	Defined_Bond_Stereo_Count	0
3129049	Undefined_Bond_Stereo_Count	0
23616669	Undefined_Bond_Stereo_Count	0
21482439	TPSA	9.2
33255	Hydrogen_Bond_Donor_Count	2
198008	Undefined_Atom_Stereo_Count	0
522731	Defined_Atom_Stereo_Count	0
20526803	Hydrogen_Bond_Acceptor_Count	2
119096	XLogP3	2
58143028	XLogP3-AA	1.2
10888051	Hydrogen_Bond_Donor_Count	0
159247	Mono_Isotopic_Weight	185.0374194
69391	Defined_Bond_Stereo_Count	0
70150	Molecular_Weight	178.27
4204	XLogP3-AA	3.7
4284720	Non-hydrogen_Atom_Count	20
15567	Hydrogen_Bond_Donor_Count	1
18273	Rotatable_Bond_Count	1
86821	Structure_Complexity	634
145705978	Undefined_Bond_Stereo_Count	0
16180	Structure_Complexity	189
14020433	Hydrogen_Bond_Acceptor_Count	2
84141	Total_Formal_Charge	0
137512	Total_Formal_Charge	0
134754219	Hydrogen_Bond_Acceptor_Count	12
69388	Exact_Mass	98.036779430
50128	Defined_Atom_Stereo_Count	0
70689445	Molecular_Weight	446.3
135749823	Exact_Mass	680.24757729
56208	Molecular_Weight	385.4
139269842	Total_Formal_Charge	0
11208	Covalent_Unit_Count	1
163613625	Total_Formal_Charge	0
130025113	Defined_Bond_Stereo_Count	0
25078013	Total_Formal_Charge	0
908	Defined_Bond_Stereo_Count	0
87280117	Structure_Complexity	94.4
10390369	Undefined_Bond_Stereo_Count	0
2890	Total_Formal_Charge	0
54572627	Rotatable_Bond_Count	2
542606	XLogP3	0.1
160865755	Hydrogen_Bond_Acceptor_Count	2
145307712	Mono_Isotopic_Weight	107.037113783
3033972	Molecular_Weight	257.86
78224604	Total_Formal_Charge	1
76730	Exact_Mass	257.04365571
6727	Mono_Isotopic_Weight	457.2051535
56962336	Rotatable_Bond_Count	10
55284379	Total_Formal_Charge	0
9832750	Defined_Atom_Stereo_Count	19
153830378	Defined_Atom_Stereo_Count	0
53630039	Exact_Mass	90.031694049
12229396	Undefined_Atom_Stereo_Count	0
14464334	Total_Formal_Charge	0
7013	Hydrogen_Bond_Acceptor_Count	1
46839993	Tautomer_Count	1
5695	Molecular_Weight	643.4
46244454	XLogP3-AA	2.1
11969542	TPSA	85.4
123623	Undefined_Bond_Stereo_Count	0
7252	Rotatable_Bond_Count	0
22082536	Total_Formal_Charge	0
3401849	Exact_Mass	123.03539970
2215	Undefined_Bond_Stereo_Count	0
127736	Hydrogen_Bond_Acceptor_Count	6
141168949	Rotatable_Bond_Count	1
854418	Mono_Isotopic_Weight	267.100776666
31356	Undefined_Bond_Stereo_Count	0
32767	Hydrogen_Bond_Acceptor_Count	1
123385940	Exact_Mass	110.073164938
11063855	XLogP3	4.1
54300272	Isotope_Atom_Count	0
110968	Structure_Complexity	52.5
138979	Defined_Atom_Stereo_Count	0
5288600	Molecular_Weight	311.3
17963363	Undefined_Bond_Stereo_Count	0
140233815	Molecular_Weight	114.19
72327	Mono_Isotopic_Weight	260.08084968
16212360	Defined_Bond_Stereo_Count	0
83884	Hydrogen_Bond_Acceptor_Count	9
2943	Undefined_Atom_Stereo_Count	0
22160831	Structure_Complexity	113
59757974	Defined_Atom_Stereo_Count	0
12184591	TPSA	94.8
4541	Tautomer_Count	1
14286857	Mono_Isotopic_Weight	218.167065321
6326976	Mono_Isotopic_Weight	143.93774716
11660192	Tautomer_Count	8
2559	Undefined_Bond_Stereo_Count	0
300166	Hydrogen_Bond_Donor_Count	0
59270	Hydrogen_Bond_Donor_Count	1
168131	Non-hydrogen_Atom_Count	19
88283211	Rotatable_Bond_Count	3
10163178	XLogP3-AA	3.6
94320	Defined_Bond_Stereo_Count	0
643774	Hydrogen_Bond_Acceptor_Count	1
59630	Molecular_Weight	297.5
101815861	Defined_Bond_Stereo_Count	0
132598553	Covalent_Unit_Count	1
2117002	Total_Formal_Charge	0
16219444	TPSA	159
90909703	Undefined_Bond_Stereo_Count	2
10067787	Molecular_Weight	370.9
445	Defined_Atom_Stereo_Count	0
123904644	Molecular_Weight	108.18
33256	Undefined_Bond_Stereo_Count	0
71681010	Undefined_Bond_Stereo_Count	0
67330085	Exact_Mass	526.14461000
12002	Mono_Isotopic_Weight	311.77849
16130278	Covalent_Unit_Count	1
129662960	Structure_Complexity	275
8017	Non-hydrogen_Atom_Count	5
13679	Undefined_Atom_Stereo_Count	0
16051586	Hydrogen_Bond_Donor_Count	2
2161	Covalent_Unit_Count	1
11480402	Undefined_Atom_Stereo_Count	0
20035	Rotatable_Bond_Count	7
689385	Exact_Mass	322.05000196
54584751	Hydrogen_Bond_Acceptor_Count	7
13930075	Molecular_Weight	113.16
117563748	Defined_Bond_Stereo_Count	0
5282439	Total_Formal_Charge	0
137609	Molecular_Weight	115.17
18521191	Tautomer_Count	1
136729	XLogP3-AA	3.8
8282	Defined_Atom_Stereo_Count	0
140789	Defined_Atom_Stereo_Count	0
9826528	Undefined_Atom_Stereo_Count	0
129672477	Exact_Mass	518.945874
14833	Total_Formal_Charge	0
5311447	Exact_Mass	466.15961441
6713960	Rotatable_Bond_Count	6
5478933	Mono_Isotopic_Weight	473.26381923
168299	Tautomer_Count	1
148123	Defined_Bond_Stereo_Count	0
129691409	Defined_Bond_Stereo_Count	0
58423153	Tautomer_Count	3
13546	Rotatable_Bond_Count	2
11972518	Mono_Isotopic_Weight	1110.57633051
22213349	Exact_Mass	102.079312947
129729130	Covalent_Unit_Count	1
10909430	Defined_Bond_Stereo_Count	0
6632	Undefined_Atom_Stereo_Count	2
2406	Rotatable_Bond_Count	2
13664	XLogP3-AA	3.3
5360881	Total_Formal_Charge	0
20658615	Undefined_Atom_Stereo_Count	0
25201948	Structure_Complexity	539
1633595	Rotatable_Bond_Count	0
85382	Rotatable_Bond_Count	4
8584	Isotope_Atom_Count	0
13410810	XLogP3-AA	0.5
21893797	XLogP3-AA	0.8
25271781	Undefined_Bond_Stereo_Count	0
90878759	TPSA	24.7
72200409	Mono_Isotopic_Weight	545.26853321
45086609	Non-hydrogen_Atom_Count	10
17572160	Undefined_Atom_Stereo_Count	0
45117282	Exact_Mass	111.032028402
60150204	Defined_Bond_Stereo_Count	0
17787659	Exact_Mass	112.063662883
17846631	Mono_Isotopic_Weight	224.08136064
10395173	Undefined_Atom_Stereo_Count	0
3033521	Total_Formal_Charge	0
149433	Mono_Isotopic_Weight	125.084063974
81146	Hydrogen_Bond_Acceptor_Count	3
371715	Hydrogen_Bond_Donor_Count	1
125286695	Undefined_Bond_Stereo_Count	0
3580	Undefined_Bond_Stereo_Count	6
419293	Isotope_Atom_Count	0
108956	Non-hydrogen_Atom_Count	37
87934	Hydrogen_Bond_Donor_Count	0
149086	Structure_Complexity	1450
45878	Tautomer_Count	1
7652	Molecular_Weight	238.28
67781	XLogP3	2
63650	Isotope_Atom_Count	0
588352	Structure_Complexity	296
55105	Non-hydrogen_Atom_Count	17
5282176	Defined_Bond_Stereo_Count	3
53999929	Isotope_Atom_Count	0
161930	Structure_Complexity	502
457831	Defined_Bond_Stereo_Count	0
162342152	Hydrogen_Bond_Acceptor_Count	2
59221	Total_Formal_Charge	0
3003141	Isotope_Atom_Count	0
2734672	Rotatable_Bond_Count	1
163578456	Undefined_Bond_Stereo_Count	0
9578243	Molecular_Weight	292.33
3622	Undefined_Bond_Stereo_Count	0
23714994	Exact_Mass	240.07623855
22858512	Defined_Bond_Stereo_Count	0
6913	Exact_Mass	135.104799419
5845	Exact_Mass	387.13675280
47912	Defined_Bond_Stereo_Count	0
43935	Total_Formal_Charge	0
545809	Non-hydrogen_Atom_Count	14
91460	Undefined_Atom_Stereo_Count	0
151170	Defined_Atom_Stereo_Count	0
35492	Isotope_Atom_Count	0
6099081	Hydrogen_Bond_Donor_Count	0
126514	XLogP3-AA	3
6916258	Non-hydrogen_Atom_Count	24
53317194	Hydrogen_Bond_Donor_Count	2
76714	Defined_Bond_Stereo_Count	0
11667893	Non-hydrogen_Atom_Count	28
48362	XLogP3-AA	3.2
44339135	Exact_Mass	547.14224784
7742	XLogP3	1.1
71833	Total_Formal_Charge	0
15788366	XLogP3-AA	4.5
4989215	TPSA	14.1
4486	Tautomer_Count	9
68681268	Rotatable_Bond_Count	7
12460926	Non-hydrogen_Atom_Count	9
7331	Mono_Isotopic_Weight	272.07970687
30487	Defined_Bond_Stereo_Count	0
70255	TPSA	17.8
14842942	Mono_Isotopic_Weight	202.99458
67241466	Total_Formal_Charge	0
6436158	Structure_Complexity	1360
3034319	TPSA	47.4
4162	Covalent_Unit_Count	1
292429	Total_Formal_Charge	0
2472	Hydrogen_Bond_Donor_Count	1
6917662	Mono_Isotopic_Weight	283.1702921
12096747	XLogP3-AA	3.9
9589475	TPSA	259
10953456	Undefined_Bond_Stereo_Count	0
65	Molecular_Weight	179.00
9574962	Isotope_Atom_Count	0
69135	Undefined_Bond_Stereo_Count	0
5324781	TPSA	41.8
78323	Exact_Mass	241.94577
548282	Total_Formal_Charge	0
158032	TPSA	45.8
57399428	Molecular_Weight	480.6
560256	Defined_Bond_Stereo_Count	0
11105310	Hydrogen_Bond_Acceptor_Count	1
6537495	TPSA	82.3
85779440	XLogP3-AA	0.1
83050	Isotope_Atom_Count	0
17174	Molecular_Weight	110.11
114743	Hydrogen_Bond_Donor_Count	1
5287855	Defined_Atom_Stereo_Count	0
57484773	Hydrogen_Bond_Donor_Count	0
139291782	Exact_Mass	922.36702371
69158971	Defined_Bond_Stereo_Count	0
220401	Undefined_Atom_Stereo_Count	0
115197	Molecular_Weight	74.08
447573	Hydrogen_Bond_Donor_Count	4
409836	Rotatable_Bond_Count	4
478951	TPSA	195
88043	Exact_Mass	150.079312947
121313292	TPSA	9.2
14475	Isotope_Atom_Count	0
13401731	Covalent_Unit_Count	1
118984411	Undefined_Atom_Stereo_Count	0
21984	Rotatable_Bond_Count	7
71457010	Hydrogen_Bond_Acceptor_Count	5
4528	Rotatable_Bond_Count	1
7656	Covalent_Unit_Count	1
65522	Hydrogen_Bond_Acceptor_Count	3
133556498	Structure_Complexity	896
102258	Defined_Bond_Stereo_Count	0
5287705	Undefined_Atom_Stereo_Count	0
10687	Defined_Atom_Stereo_Count	0
12991988	Exact_Mass	396.06121838
447	Covalent_Unit_Count	1
12872197	Structure_Complexity	96.3
228204	Molecular_Weight	250.74
134695356	Non-hydrogen_Atom_Count	52
9425	Isotope_Atom_Count	0
7369	Mono_Isotopic_Weight	175.9698783
12401	Structure_Complexity	123
54136480	Rotatable_Bond_Count	2
18705389	Undefined_Atom_Stereo_Count	1
46693	Undefined_Atom_Stereo_Count	1
13708	Tautomer_Count	1
5971	Isotope_Atom_Count	0
5352982	Molecular_Weight	254.41
118855590	Hydrogen_Bond_Acceptor_Count	3
6437377	Hydrogen_Bond_Acceptor_Count	8
44181920	Defined_Atom_Stereo_Count	0
638116	Exact_Mass	116.065741536
12248306	Molecular_Weight	230.14
441558	Defined_Atom_Stereo_Count	2
132252	Mono_Isotopic_Weight	383.0820006
5282402	Non-hydrogen_Atom_Count	26
23077956	TPSA	68.2
698851	Total_Formal_Charge	0
59336	Exact_Mass	366.19434270
57163928	Defined_Atom_Stereo_Count	0
42574	Rotatable_Bond_Count	4
8264	Total_Formal_Charge	0
123224323	Isotope_Atom_Count	0
83814961	Mono_Isotopic_Weight	111.068413911
19012	Hydrogen_Bond_Donor_Count	2
10333	Exact_Mass	124.052429494
16437056	Mono_Isotopic_Weight	113.058911855
36457	Defined_Bond_Stereo_Count	0
138733	Rotatable_Bond_Count	0
51622	Total_Formal_Charge	0
550922	Defined_Bond_Stereo_Count	0
51629	Hydrogen_Bond_Acceptor_Count	3
73437646	Exact_Mass	323.23675420
19829703	Isotope_Atom_Count	0
71456722	Covalent_Unit_Count	1
564980	Hydrogen_Bond_Acceptor_Count	3
12417	Mono_Isotopic_Weight	86.073164938
74255	Undefined_Bond_Stereo_Count	0
22859	Total_Formal_Charge	0
97770	Molecular_Weight	115.17
124823816	Defined_Atom_Stereo_Count	9
36382	Rotatable_Bond_Count	5
95173	Defined_Bond_Stereo_Count	0
4649906	Hydrogen_Bond_Donor_Count	0
5489410	Defined_Bond_Stereo_Count	1
257950	Covalent_Unit_Count	1
93012	Rotatable_Bond_Count	5
180081	XLogP3-AA	2.8
129831062	Undefined_Atom_Stereo_Count	0
78096	Hydrogen_Bond_Donor_Count	3
61278	Covalent_Unit_Count	1
76735	Structure_Complexity	296
14672754	Total_Formal_Charge	0
605461	Undefined_Bond_Stereo_Count	0
25188420	Undefined_Bond_Stereo_Count	0
12378	Undefined_Atom_Stereo_Count	0
115072	Molecular_Weight	248.32
12209629	Defined_Bond_Stereo_Count	0
10461263	Defined_Bond_Stereo_Count	0
147165509	TPSA	0
87187801	Mono_Isotopic_Weight	112.088815002
1201445	Non-hydrogen_Atom_Count	8
91089431	Total_Formal_Charge	0
12601908	Undefined_Atom_Stereo_Count	0
18381	Hydrogen_Bond_Acceptor_Count	7
5288596	Total_Formal_Charge	0
10755924	Total_Formal_Charge	0
10349	Hydrogen_Bond_Donor_Count	2
53436345	TPSA	34.1
22157803	Total_Formal_Charge	0
101626738	Undefined_Atom_Stereo_Count	0
15731	Isotope_Atom_Count	0
281478	Defined_Bond_Stereo_Count	0
53956489	Rotatable_Bond_Count	3
7530	Mono_Isotopic_Weight	122.073164938
57395977	Rotatable_Bond_Count	10
69994	Rotatable_Bond_Count	2
21998683	Structure_Complexity	80.2
60196348	Structure_Complexity	1010
34230	Mono_Isotopic_Weight	724.47616298
32429	Isotope_Atom_Count	0
579338	Undefined_Bond_Stereo_Count	0
5284570	TPSA	49.8
25072741	Covalent_Unit_Count	1
9812710	Covalent_Unit_Count	2
6433208	Mono_Isotopic_Weight	472.090968
65663	Undefined_Atom_Stereo_Count	0
67591	Molecular_Weight	180.16
154104	Exact_Mass	303.10414797
82727	Molecular_Weight	102.18
59281403	XLogP3-AA	2.9
7118	Total_Formal_Charge	0
5275508	Structure_Complexity	342
155487763	Molecular_Weight	1027.2
72388	TPSA	40.5
274418	Undefined_Bond_Stereo_Count	0
13814	Isotope_Atom_Count	0
24203	Tautomer_Count	1
6433101	Molecular_Weight	452.5
17377	Defined_Atom_Stereo_Count	0
10616	Hydrogen_Bond_Acceptor_Count	3
35740	Mono_Isotopic_Weight	1287.5856
23409	Mono_Isotopic_Weight	170.048012819
450268	Tautomer_Count	6
12993138	Rotatable_Bond_Count	2
35766	Rotatable_Bond_Count	6
56929801	Undefined_Bond_Stereo_Count	0
25210	Tautomer_Count	3
9934347	Non-hydrogen_Atom_Count	33
36795	TPSA	30.5
46830239	TPSA	71.6
19883347	Defined_Atom_Stereo_Count	0
10252	TPSA	66.4
25670	Structure_Complexity	206
135409474	Mono_Isotopic_Weight	316.04775529
21492261	Defined_Atom_Stereo_Count	0
22764074	Isotope_Atom_Count	0
17963226	Mono_Isotopic_Weight	505.1802054
519161	Total_Formal_Charge	0
51039095	Structure_Complexity	622
143286	Mono_Isotopic_Weight	95.073499291
15983550	Exact_Mass	467.21686904
757	Molecular_Weight	76.05
142755	Exact_Mass	114.068079557
69216	Molecular_Weight	114.10
68666	Mono_Isotopic_Weight	478.04393321
154731207	Hydrogen_Bond_Acceptor_Count	13
44828796	Undefined_Bond_Stereo_Count	0
3544	Mono_Isotopic_Weight	251.07284784
17755	Molecular_Weight	102.13
151177	Molecular_Weight	404.5
694638	Exact_Mass	326.12013238
122	Non-hydrogen_Atom_Count	14
91740	Isotope_Atom_Count	0
156882	XLogP3-AA	5.6
53313171	Undefined_Bond_Stereo_Count	0
5941539	Structure_Complexity	577
9356	Covalent_Unit_Count	1
5326751	Undefined_Atom_Stereo_Count	0
285	Undefined_Atom_Stereo_Count	0
112265	Structure_Complexity	72.5
24901348	Rotatable_Bond_Count	11
67322	Hydrogen_Bond_Acceptor_Count	6
123716071	Hydrogen_Bond_Acceptor_Count	1
165687912	Hydrogen_Bond_Donor_Count	0
71840	Structure_Complexity	256
54595803	Covalent_Unit_Count	1
15509898	Covalent_Unit_Count	1
23680156	Total_Formal_Charge	0
129787717	Undefined_Atom_Stereo_Count	0
101838	Defined_Atom_Stereo_Count	0
12754038	Defined_Bond_Stereo_Count	0
6454737	Tautomer_Count	3
11423566	Defined_Bond_Stereo_Count	0
3033053	Tautomer_Count	3
5369209	Defined_Bond_Stereo_Count	1
6918852	Hydrogen_Bond_Donor_Count	2
6127	TPSA	0
448071	Mono_Isotopic_Weight	84.093900383
31374	Molecular_Weight	87.12
71626	Tautomer_Count	1
46942	Mono_Isotopic_Weight	204.220163521
80466	Defined_Atom_Stereo_Count	0
2690	Undefined_Atom_Stereo_Count	0
20547	Non-hydrogen_Atom_Count	12
44410869	Molecular_Weight	459.9
616236	XLogP3-AA	2.3
287064	Molecular_Weight	168.15
58550573	Undefined_Atom_Stereo_Count	0
24682	Rotatable_Bond_Count	0
69814	Undefined_Bond_Stereo_Count	1
91145327	Isotope_Atom_Count	0
33	Molecular_Weight	78.50
5078	Defined_Atom_Stereo_Count	0
17754081	Hydrogen_Bond_Donor_Count	4
2093	Hydrogen_Bond_Acceptor_Count	0
7987	TPSA	71.1
449355	Hydrogen_Bond_Donor_Count	3
443951	Covalent_Unit_Count	1
45488116	Covalent_Unit_Count	1
29878	Molecular_Weight	183.23
67258456	Mono_Isotopic_Weight	111.006876283
101626738	Defined_Atom_Stereo_Count	6
44393	Exact_Mass	280.125200510
12561666	Rotatable_Bond_Count	0
92888	Total_Formal_Charge	0
91936858	Defined_Atom_Stereo_Count	1
449215	TPSA	64.4
445	TPSA	32.3
137554722	Defined_Bond_Stereo_Count	0
89311461	Mono_Isotopic_Weight	114.079312947
14677	Molecular_Weight	296.4
694983	Hydrogen_Bond_Acceptor_Count	5
57454999	Undefined_Atom_Stereo_Count	2
192912	Exact_Mass	286.83642
19705594	Defined_Bond_Stereo_Count	0
88867195	Structure_Complexity	64.8
14397832	Rotatable_Bond_Count	2
88928	Defined_Bond_Stereo_Count	0
101001097	Hydrogen_Bond_Acceptor_Count	4
222714	Defined_Bond_Stereo_Count	0
11007917	Undefined_Atom_Stereo_Count	0
19658	Undefined_Bond_Stereo_Count	0
85768913	Mono_Isotopic_Weight	95.073499291
14743344	Hydrogen_Bond_Acceptor_Count	3
2736548	TPSA	17.1
134669	Total_Formal_Charge	0
53845104	Mono_Isotopic_Weight	87.043261792
16211656	Undefined_Bond_Stereo_Count	0
58902739	Undefined_Atom_Stereo_Count	1
53262295	Covalent_Unit_Count	2
53316398	Hydrogen_Bond_Donor_Count	3
3047809	TPSA	101
89760664	Rotatable_Bond_Count	1
644241	Undefined_Atom_Stereo_Count	0
1718	XLogP3-AA	1
13449768	Isotope_Atom_Count	0
54331	Hydrogen_Bond_Acceptor_Count	7
14116454	Mono_Isotopic_Weight	98.036779430
84152	Mono_Isotopic_Weight	132.078644241
15528723	TPSA	40.5
154202106	Hydrogen_Bond_Acceptor_Count	4
164767	Molecular_Weight	172.00
86751	Undefined_Bond_Stereo_Count	0
5284600	Hydrogen_Bond_Acceptor_Count	5
213056	Total_Formal_Charge	0
105131	Molecular_Weight	122.95
197835	Rotatable_Bond_Count	3
5353584	Undefined_Atom_Stereo_Count	7
61753	Undefined_Atom_Stereo_Count	0
66487	Hydrogen_Bond_Acceptor_Count	5
20062980	XLogP3-AA	0.8
4386	Defined_Bond_Stereo_Count	0
21863610	Structure_Complexity	88.7
31227	Mono_Isotopic_Weight	178.135765193
146356470	Total_Formal_Charge	0
637146	Hydrogen_Bond_Donor_Count	0
4284720	Structure_Complexity	315
6916257	Defined_Atom_Stereo_Count	3
24900685	XLogP3-AA	2.3
71309918	Rotatable_Bond_Count	4
11593	Isotope_Atom_Count	0
64303	Molecular_Weight	377.9
905454	Molecular_Weight	247.33
571982	Hydrogen_Bond_Acceptor_Count	18
11596983	XLogP3-AA	4.4
75564	Undefined_Atom_Stereo_Count	0
43424	Defined_Bond_Stereo_Count	0
120096	Undefined_Bond_Stereo_Count	0
20767638	Molecular_Weight	113.12
14041489	Total_Formal_Charge	0
16932	Hydrogen_Bond_Donor_Count	0
15216102	Covalent_Unit_Count	1
188219	Molecular_Weight	611.5
4372	Undefined_Bond_Stereo_Count	2
96261	XLogP3	3
75024	Mono_Isotopic_Weight	118.062994177
121892	Exact_Mass	303.13830499
99580	XLogP3-AA	3.1
292184	Molecular_Weight	164.01
8573	XLogP3-AA	2.5
53507	Non-hydrogen_Atom_Count	24
59059041	Covalent_Unit_Count	1
21496049	TPSA	26.3
1451	Undefined_Bond_Stereo_Count	0
70542877	Molecular_Weight	97.08
28693	Hydrogen_Bond_Acceptor_Count	3
94744	TPSA	63.3
74319	Molecular_Weight	197.23
82162	Mono_Isotopic_Weight	142.074227566
65099	Exact_Mass	510.15393443
117266483	Covalent_Unit_Count	1
58453	Hydrogen_Bond_Acceptor_Count	3
57399909	Non-hydrogen_Atom_Count	32
98282	Isotope_Atom_Count	0
23892	Molecular_Weight	360.1
3015009	Hydrogen_Bond_Acceptor_Count	0
93205	Tautomer_Count	3
13035	Defined_Atom_Stereo_Count	0
9661	Defined_Bond_Stereo_Count	0
9877750	Covalent_Unit_Count	1
12865500	Molecular_Weight	116.16
49852344	Covalent_Unit_Count	1
2733279	Hydrogen_Bond_Acceptor_Count	3
448503	Mono_Isotopic_Weight	118.098037015
521300	Structure_Complexity	49.5
124427926	Covalent_Unit_Count	1
6914821	Covalent_Unit_Count	1
12382883	Mono_Isotopic_Weight	213.10481667
3544692	Total_Formal_Charge	0
751826	Rotatable_Bond_Count	2
70693583	Hydrogen_Bond_Donor_Count	1
69460	Total_Formal_Charge	0
95864	Undefined_Bond_Stereo_Count	0
5489410	Total_Formal_Charge	0
20701649	Undefined_Atom_Stereo_Count	1
14306122	Hydrogen_Bond_Donor_Count	0
5371560	TPSA	65.1
8184	Defined_Atom_Stereo_Count	0
36192	Hydrogen_Bond_Acceptor_Count	2
133832	Hydrogen_Bond_Donor_Count	0
6438129	Undefined_Atom_Stereo_Count	1
74823	Covalent_Unit_Count	1
1611	TPSA	191
11587639	Total_Formal_Charge	0
212	Defined_Atom_Stereo_Count	0
16218740	Total_Formal_Charge	1
48918	Hydrogen_Bond_Acceptor_Count	3
9804991	Hydrogen_Bond_Acceptor_Count	6
136070	Rotatable_Bond_Count	0
53318409	Isotope_Atom_Count	0
23270355	Hydrogen_Bond_Donor_Count	1
10935	Molecular_Weight	97.07
12255141	Rotatable_Bond_Count	0
11769408	Rotatable_Bond_Count	4
96386	Exact_Mass	214.229665576
22486676	Defined_Atom_Stereo_Count	0
112	Hydrogen_Bond_Donor_Count	3
96458	Mono_Isotopic_Weight	358.0985242
724183	Molecular_Weight	294.3
20474	Defined_Bond_Stereo_Count	0
23377620	Defined_Atom_Stereo_Count	0
21553255	Hydrogen_Bond_Acceptor_Count	1
70685868	Defined_Bond_Stereo_Count	0
25780	Rotatable_Bond_Count	7
2734243	Undefined_Atom_Stereo_Count	0
59952	Isotope_Atom_Count	0
20072023	Defined_Bond_Stereo_Count	0
75460	Structure_Complexity	110
797998	Isotope_Atom_Count	0
5289547	Defined_Atom_Stereo_Count	6
180288	Hydrogen_Bond_Donor_Count	4
9841972	Structure_Complexity	401
449293	TPSA	23.5
4442	Undefined_Bond_Stereo_Count	0
7160	Defined_Atom_Stereo_Count	0
9537	Undefined_Bond_Stereo_Count	0
192154	Total_Formal_Charge	0
449224	Mono_Isotopic_Weight	991.42555890
69965423	Covalent_Unit_Count	1
104826	Undefined_Atom_Stereo_Count	1
9922708	Structure_Complexity	360
4778	Exact_Mass	167.955634
79946	TPSA	221
137735	Undefined_Atom_Stereo_Count	0
519112	Defined_Atom_Stereo_Count	0
15190	Non-hydrogen_Atom_Count	32
18381562	TPSA	53.6
610682	Hydrogen_Bond_Donor_Count	1
57280823	Molecular_Weight	115.16
13445117	Rotatable_Bond_Count	1
12998627	Undefined_Bond_Stereo_Count	0
14179013	TPSA	101
418247	Total_Formal_Charge	0
11243969	Defined_Atom_Stereo_Count	4
6432217	Total_Formal_Charge	0
68476	Mono_Isotopic_Weight	144.068748264
23368	Mono_Isotopic_Weight	230.15180918
3327	Hydrogen_Bond_Donor_Count	1
54236977	Hydrogen_Bond_Acceptor_Count	1
91505	Isotope_Atom_Count	0
66561	Undefined_Atom_Stereo_Count	0
234735	Total_Formal_Charge	0
16950	Non-hydrogen_Atom_Count	20
72551585	Non-hydrogen_Atom_Count	42
78373	Tautomer_Count	1
22054617	Undefined_Bond_Stereo_Count	0
5052860	Defined_Atom_Stereo_Count	0
77332	Non-hydrogen_Atom_Count	8
5374527	Defined_Atom_Stereo_Count	0
64617	Non-hydrogen_Atom_Count	20
81	Undefined_Bond_Stereo_Count	0
90571	Hydrogen_Bond_Acceptor_Count	3
8110	Undefined_Bond_Stereo_Count	0
20147457	Molecular_Weight	84.12
71345	Hydrogen_Bond_Donor_Count	0
8193	Non-hydrogen_Atom_Count	13
183679	Defined_Atom_Stereo_Count	0
10909508	Undefined_Bond_Stereo_Count	0
92158	Structure_Complexity	807
72068	Tautomer_Count	1
5213	Covalent_Unit_Count	1
441071	Tautomer_Count	2
59295958	Isotope_Atom_Count	0
78249	Hydrogen_Bond_Donor_Count	0
64722	Defined_Atom_Stereo_Count	0
638144	Hydrogen_Bond_Acceptor_Count	4
59154995	Structure_Complexity	107
91688	Tautomer_Count	1
3081078	Undefined_Bond_Stereo_Count	0
853561	Hydrogen_Bond_Donor_Count	0
44126033	TPSA	106
9964258	Non-hydrogen_Atom_Count	12
5484735	Exact_Mass	523.02901142
11051610	Undefined_Bond_Stereo_Count	0
19600405	Undefined_Atom_Stereo_Count	0
12702413	XLogP3	2
18726560	Covalent_Unit_Count	1
93252	Hydrogen_Bond_Acceptor_Count	2
5376733	Mono_Isotopic_Weight	232.125200510
15222234	Covalent_Unit_Count	1
21917771	Undefined_Atom_Stereo_Count	0
67085	Undefined_Bond_Stereo_Count	0
144161560	Exact_Mass	97.052763847
4735	Undefined_Atom_Stereo_Count	0
2724247	Undefined_Bond_Stereo_Count	0
11030720	TPSA	63.6
9889168	Hydrogen_Bond_Donor_Count	0
81183	Non-hydrogen_Atom_Count	15
53682689	TPSA	17.1
91664033	Defined_Atom_Stereo_Count	28
13707495	Rotatable_Bond_Count	1
447021	Hydrogen_Bond_Acceptor_Count	7
136871	TPSA	9.2
28467	Non-hydrogen_Atom_Count	16
12023	Isotope_Atom_Count	0
159952	Defined_Bond_Stereo_Count	0
97637	Hydrogen_Bond_Acceptor_Count	1
20082658	Undefined_Atom_Stereo_Count	1
163050675	Defined_Atom_Stereo_Count	6
122608345	Total_Formal_Charge	0
91274	Undefined_Atom_Stereo_Count	0
80265	Covalent_Unit_Count	1
259360	Molecular_Weight	105.14
11297617	Molecular_Weight	981.0
5283387	Exact_Mass	281.271864740
31917	Defined_Atom_Stereo_Count	0
124918412	Covalent_Unit_Count	1
11622909	XLogP3-AA	1.4
154285117	Covalent_Unit_Count	1
18999	Isotope_Atom_Count	0
137635	Defined_Atom_Stereo_Count	0
138372	TPSA	42.5
59050126	Structure_Complexity	74.9
31348	Defined_Bond_Stereo_Count	0
440946	Exact_Mass	504.16903493
183797	Structure_Complexity	671
66275	Defined_Atom_Stereo_Count	0
4684	Exact_Mass	128.0028925
3331	Undefined_Bond_Stereo_Count	0
163285375	Hydrogen_Bond_Acceptor_Count	13
91505	Tautomer_Count	1
34850	Defined_Bond_Stereo_Count	0
5314058	Hydrogen_Bond_Donor_Count	0
27581	Defined_Bond_Stereo_Count	0
316797	Defined_Atom_Stereo_Count	0
161259	Structure_Complexity	1000
20307232	Defined_Bond_Stereo_Count	0
71165	Tautomer_Count	2
5459792	Molecular_Weight	132.07
71112644	Molecular_Weight	407.3
439240	Structure_Complexity	117
472812	Mono_Isotopic_Weight	243.0523023
23663409	Undefined_Bond_Stereo_Count	0
403646	Rotatable_Bond_Count	2
5281605	Hydrogen_Bond_Donor_Count	3
177955	Hydrogen_Bond_Acceptor_Count	4
1740	XLogP3-AA	0.4
54738	Non-hydrogen_Atom_Count	19
8473	Defined_Atom_Stereo_Count	0
133008	Hydrogen_Bond_Acceptor_Count	3
11712071	TPSA	74.5
138059664	Isotope_Atom_Count	0
5287969	Isotope_Atom_Count	0
125468	Defined_Bond_Stereo_Count	1
9238	Defined_Atom_Stereo_Count	0
7421	Mono_Isotopic_Weight	137.084063974
70801	Molecular_Weight	173.21
403805	Non-hydrogen_Atom_Count	43
104735	Covalent_Unit_Count	1
4141783	Undefined_Bond_Stereo_Count	0
5461012	XLogP3-AA	6.8
9249	TPSA	0
444972	Mono_Isotopic_Weight	116.01095860
23679005	Undefined_Bond_Stereo_Count	0
2190	Undefined_Bond_Stereo_Count	0
53237112	Molecular_Weight	404.5
68740500	Undefined_Bond_Stereo_Count	0
7146	XLogP3-AA	1.9
6537495	Non-hydrogen_Atom_Count	11
118098295	Undefined_Atom_Stereo_Count	4
439176	Structure_Complexity	352
59149828	Isotope_Atom_Count	0
18719616	Mono_Isotopic_Weight	97.016378338
21889252	Mono_Isotopic_Weight	112.016043985
12295391	Rotatable_Bond_Count	1
725	Tautomer_Count	1
20081031	TPSA	64.7
5352539	Undefined_Atom_Stereo_Count	0
22910010	Undefined_Bond_Stereo_Count	0
10424358	Covalent_Unit_Count	1
41124	Exact_Mass	140.120115130
16657	Exact_Mass	98.109550447
60192	Hydrogen_Bond_Acceptor_Count	4
163925	Hydrogen_Bond_Acceptor_Count	6
11593	Structure_Complexity	106
7500	TPSA	0
25146	Rotatable_Bond_Count	8
3859613	TPSA	78
53302285	Non-hydrogen_Atom_Count	7
71587865	Molecular_Weight	380.9
15633846	Undefined_Bond_Stereo_Count	0
116	Hydrogen_Bond_Donor_Count	3
9956726	TPSA	117
135400182	Undefined_Atom_Stereo_Count	0
11106352	Hydrogen_Bond_Donor_Count	0
6956	Hydrogen_Bond_Acceptor_Count	2
17525	Rotatable_Bond_Count	8
122738	Structure_Complexity	925
10104496	Hydrogen_Bond_Acceptor_Count	4
102488279	Hydrogen_Bond_Donor_Count	0
137537	Defined_Atom_Stereo_Count	0
2782524	Structure_Complexity	97.9
5467	Exact_Mass	328.14567842
5288588	Hydrogen_Bond_Acceptor_Count	2
69967	Covalent_Unit_Count	1
7059571	Molecular_Weight	328.20
85805628	XLogP3-AA	1.6
129680036	Hydrogen_Bond_Acceptor_Count	1
11948	XLogP3	5.5
991	TPSA	106
10914	Non-hydrogen_Atom_Count	12
6858240	Undefined_Atom_Stereo_Count	0
5748846	Hydrogen_Bond_Donor_Count	5
60496	Rotatable_Bond_Count	11
44720578	Undefined_Bond_Stereo_Count	0
54676715	Undefined_Bond_Stereo_Count	0
5378708	Non-hydrogen_Atom_Count	42
16697	Defined_Atom_Stereo_Count	0
1890	TPSA	46.5
680036	XLogP3-AA	2.7
552549	Defined_Bond_Stereo_Count	0
21956312	Hydrogen_Bond_Acceptor_Count	2
216468	XLogP3-AA	1.8
1519404	Total_Formal_Charge	0
98365	Defined_Bond_Stereo_Count	0
821629	Non-hydrogen_Atom_Count	17
119097556	Undefined_Bond_Stereo_Count	0
11957756	Defined_Bond_Stereo_Count	0
59421472	Undefined_Bond_Stereo_Count	0
53490	Hydrogen_Bond_Donor_Count	2
7015191	Covalent_Unit_Count	1
5329020	Undefined_Bond_Stereo_Count	0
135472946	Rotatable_Bond_Count	7
646135	Total_Formal_Charge	0
676242	TPSA	35.6
70060	Hydrogen_Bond_Donor_Count	3
146681183	Hydrogen_Bond_Acceptor_Count	5
2238	Covalent_Unit_Count	1
60196273	Rotatable_Bond_Count	2
77470	Hydrogen_Bond_Donor_Count	1
86593	Defined_Bond_Stereo_Count	0
9905438	Molecular_Weight	327.2
21791020	Non-hydrogen_Atom_Count	8
21075956	Hydrogen_Bond_Donor_Count	0
6829	Non-hydrogen_Atom_Count	15
1810216	XLogP3-AA	0
59874134	Molecular_Weight	98.14
71624581	Molecular_Weight	403.9
6433272	Covalent_Unit_Count	1
125889	Hydrogen_Bond_Donor_Count	2
33498	Defined_Atom_Stereo_Count	2
13480954	Undefined_Bond_Stereo_Count	0
91807240	Undefined_Atom_Stereo_Count	2
13023558	Undefined_Bond_Stereo_Count	0
43976	Covalent_Unit_Count	1
5324108	Undefined_Atom_Stereo_Count	0
165413019	Exact_Mass	268.08076950
59390227	Hydrogen_Bond_Acceptor_Count	6
5365909	Molecular_Weight	114.14
131770024	TPSA	57.2
219019	TPSA	52.6
13376	XLogP3-AA	0.8
17134	Undefined_Atom_Stereo_Count	0
8195	Undefined_Bond_Stereo_Count	0
1437838	TPSA	37.4
44558536	Exact_Mass	373.1808568
89578803	TPSA	9.2
2734167	Exact_Mass	188.1080262
12459575	Exact_Mass	116.083729621
24568	Non-hydrogen_Atom_Count	24
5460769	Covalent_Unit_Count	1
55285004	Hydrogen_Bond_Acceptor_Count	2
44414728	Covalent_Unit_Count	1
73707427	Hydrogen_Bond_Donor_Count	3
24883429	Structure_Complexity	819
27872	Undefined_Atom_Stereo_Count	0
123145	Non-hydrogen_Atom_Count	3
163659459	Isotope_Atom_Count	0
221961	XLogP3-AA	0.6
76355	Hydrogen_Bond_Donor_Count	0
76958691	Mono_Isotopic_Weight	276.11100700
3037886	Rotatable_Bond_Count	0
17825297	Defined_Bond_Stereo_Count	0
5284648	XLogP3-AA	2.1
12114682	Covalent_Unit_Count	3
65564	Undefined_Atom_Stereo_Count	0
7616	Undefined_Bond_Stereo_Count	0
124426477	Undefined_Bond_Stereo_Count	0
24721540	Covalent_Unit_Count	2
94834	Tautomer_Count	1
9868491	Tautomer_Count	1
2849	Hydrogen_Bond_Donor_Count	3
638081	Mono_Isotopic_Weight	162.140850574
123610	Structure_Complexity	1520
33474	Undefined_Atom_Stereo_Count	0
68289010	Undefined_Atom_Stereo_Count	0
12231382	Undefined_Bond_Stereo_Count	0
6917787	Rotatable_Bond_Count	4
32731	Exact_Mass	336.04706368
131852189	Structure_Complexity	303
4110	XLogP3-AA	4.7
86062	Non-hydrogen_Atom_Count	7
534471	Hydrogen_Bond_Acceptor_Count	2
134860471	Mono_Isotopic_Weight	180.06338810
909	TPSA	113
9838022	Rotatable_Bond_Count	5
6271	TPSA	37.3
82766	Exact_Mass	114.068079557
134687781	Mono_Isotopic_Weight	803.48197664
68255	Non-hydrogen_Atom_Count	9
136051299	TPSA	149
4090	Defined_Atom_Stereo_Count	0
6433288	TPSA	57.9
701	Total_Formal_Charge	0
130028471	Covalent_Unit_Count	1
25203188	Hydrogen_Bond_Acceptor_Count	12
7026090	Hydrogen_Bond_Donor_Count	0
8442	Mono_Isotopic_Weight	324.17591592
86446	Molecular_Weight	282.36
3035905	Defined_Bond_Stereo_Count	0
71448903	Hydrogen_Bond_Donor_Count	9
58153375	Non-hydrogen_Atom_Count	6
101813505	Mono_Isotopic_Weight	363.03549594
15123310	Hydrogen_Bond_Acceptor_Count	3
22830	Rotatable_Bond_Count	4
158815	Defined_Bond_Stereo_Count	0
87605	Defined_Bond_Stereo_Count	0
73948	Non-hydrogen_Atom_Count	6
45488110	Defined_Bond_Stereo_Count	0
4160	Exact_Mass	302.224580195
3793749	Defined_Bond_Stereo_Count	0
134854766	Rotatable_Bond_Count	0
10162742	Structure_Complexity	686
19587	Defined_Atom_Stereo_Count	0
48289	Non-hydrogen_Atom_Count	20
129711656	Undefined_Atom_Stereo_Count	0
3246605	XLogP3-AA	4.6
10184937	Rotatable_Bond_Count	8
10452	Undefined_Atom_Stereo_Count	0
163853278	XLogP3-AA	0.7
137530132	Undefined_Bond_Stereo_Count	0
2757950	Isotope_Atom_Count	0
11040682	Non-hydrogen_Atom_Count	8
10248	Molecular_Weight	208.25
67627471	Defined_Bond_Stereo_Count	0
88300	Molecular_Weight	296.4
10198397	TPSA	91.7
3037565	Undefined_Atom_Stereo_Count	0
436542	Tautomer_Count	1
71916	Molecular_Weight	251.28
59087	Structure_Complexity	455
690	Defined_Atom_Stereo_Count	0
12021	Mono_Isotopic_Weight	90.031694049
204735	Structure_Complexity	103
6420	Tautomer_Count	1
135938	Structure_Complexity	153
821645	Exact_Mass	238.01222190
751341	Hydrogen_Bond_Acceptor_Count	4
58783001	Mono_Isotopic_Weight	85.052763847
156618073	Exact_Mass	342.11621151
5026	TPSA	123
524681	Defined_Atom_Stereo_Count	0
13848132	Hydrogen_Bond_Acceptor_Count	3
54886	Hydrogen_Bond_Donor_Count	0
90148216	Undefined_Bond_Stereo_Count	0
21326601	Molecular_Weight	116.16
5311451	Molecular_Weight	685.9
13810450	Rotatable_Bond_Count	0
72999858	Hydrogen_Bond_Acceptor_Count	5
13373005	Hydrogen_Bond_Acceptor_Count	11
25127713	Rotatable_Bond_Count	6
17856473	Defined_Atom_Stereo_Count	0
46173365	XLogP3	0.3
143047391	Undefined_Atom_Stereo_Count	0
141315	Non-hydrogen_Atom_Count	8
4697	Molecular_Weight	435.6
991601	Defined_Bond_Stereo_Count	0
12259682	Structure_Complexity	414
11538455	Defined_Atom_Stereo_Count	0
4792	Undefined_Atom_Stereo_Count	8
12260	TPSA	0
134797	Non-hydrogen_Atom_Count	10
251513	Structure_Complexity	258
2734687	Hydrogen_Bond_Donor_Count	4
87370	Hydrogen_Bond_Acceptor_Count	1
62819	Hydrogen_Bond_Acceptor_Count	15
121409291	Total_Formal_Charge	0
6238	Hydrogen_Bond_Acceptor_Count	3
5354	Undefined_Bond_Stereo_Count	0
56649416	Defined_Atom_Stereo_Count	11
37384	Total_Formal_Charge	0
6604189	TPSA	59.1
122669	Tautomer_Count	1
3371	Hydrogen_Bond_Donor_Count	2
54585640	Hydrogen_Bond_Donor_Count	1
6999030	TPSA	124
23677676	Defined_Atom_Stereo_Count	0
18303	XLogP3-AA	0.3
27567	Total_Formal_Charge	0
61057	Non-hydrogen_Atom_Count	13
15034112	Rotatable_Bond_Count	0
11455973	Structure_Complexity	839
537329	Total_Formal_Charge	0
15313	Molecular_Weight	185.06
12502856	Hydrogen_Bond_Acceptor_Count	1
144381	Isotope_Atom_Count	0
7363	Isotope_Atom_Count	0
7902	Hydrogen_Bond_Acceptor_Count	2
91260	Hydrogen_Bond_Acceptor_Count	2
2778339	Hydrogen_Bond_Donor_Count	0
73174	Covalent_Unit_Count	1
13631121	Structure_Complexity	72.2
63632	TPSA	131
57328385	Defined_Bond_Stereo_Count	0
12275548	Undefined_Atom_Stereo_Count	0
54585856	Undefined_Atom_Stereo_Count	0
3966	TPSA	6.5
822315	Mono_Isotopic_Weight	272.11206962
9616	Rotatable_Bond_Count	7
89664	Undefined_Atom_Stereo_Count	0
11499204	Undefined_Bond_Stereo_Count	0
5488631	Hydrogen_Bond_Acceptor_Count	2
9228	Hydrogen_Bond_Acceptor_Count	2
17073	Molecular_Weight	159.44
25015694	Undefined_Bond_Stereo_Count	0
14338	Mono_Isotopic_Weight	184.100048391
29124	Rotatable_Bond_Count	4
267493	Hydrogen_Bond_Donor_Count	1
123613360	Hydrogen_Bond_Donor_Count	0
801164	Non-hydrogen_Atom_Count	22
3291	Undefined_Atom_Stereo_Count	1
5103	Covalent_Unit_Count	1
51174	Hydrogen_Bond_Acceptor_Count	5
71308226	Rotatable_Bond_Count	7
14140758	Total_Formal_Charge	0
65238	Covalent_Unit_Count	1
2308	Covalent_Unit_Count	1
444913	Covalent_Unit_Count	1
54265485	XLogP3-AA	0.8
5538	Defined_Bond_Stereo_Count	0
54607635	Non-hydrogen_Atom_Count	32
18726540	XLogP3-AA	3.5
7323	Mono_Isotopic_Weight	254.9159841
27435	Mono_Isotopic_Weight	217.07389321
24838347	Isotope_Atom_Count	0
53682689	Molecular_Weight	98.14
53846425	Undefined_Bond_Stereo_Count	2
8291	Non-hydrogen_Atom_Count	18
88191	Isotope_Atom_Count	0
3856780	Structure_Complexity	417
154132	TPSA	58.2
688093	Defined_Bond_Stereo_Count	0
513	Rotatable_Bond_Count	5
21655019	XLogP3-AA	0
6917865	Hydrogen_Bond_Acceptor_Count	5
11291	Non-hydrogen_Atom_Count	20
164252	Defined_Atom_Stereo_Count	1
6326281	Hydrogen_Bond_Acceptor_Count	2
7464	Exact_Mass	135.104799419
31278	Defined_Bond_Stereo_Count	0
45408	Isotope_Atom_Count	0
5329098	Undefined_Atom_Stereo_Count	0
71458236	Total_Formal_Charge	0
91264731	Total_Formal_Charge	0
9865808	Defined_Bond_Stereo_Count	0
11286453	Structure_Complexity	104
124085867	Undefined_Atom_Stereo_Count	0
7309	Defined_Bond_Stereo_Count	0
12727651	Defined_Atom_Stereo_Count	0
44237	Defined_Bond_Stereo_Count	0
11264	Defined_Atom_Stereo_Count	0
261	Structure_Complexity	24.8
5367706	Structure_Complexity	203
62662	Mono_Isotopic_Weight	277.960618
67000	Structure_Complexity	212
135409453	TPSA	87.8
71309129	Rotatable_Bond_Count	1
5281706	Undefined_Atom_Stereo_Count	0
88855	Hydrogen_Bond_Donor_Count	0
133676174	TPSA	20.2
177870	Exact_Mass	341.875353
17841522	Non-hydrogen_Atom_Count	7
53643410	Structure_Complexity	66.7
710762	Exact_Mass	270.10044231
160876	Total_Formal_Charge	1
14490	Mono_Isotopic_Weight	132.078644241
610169	Mono_Isotopic_Weight	204.92939
5724	Mono_Isotopic_Weight	439.95748
6914605	Rotatable_Bond_Count	6
322148	Covalent_Unit_Count	1
38307	Structure_Complexity	87.2
60196366	Undefined_Bond_Stereo_Count	0
52947518	Undefined_Atom_Stereo_Count	0
22385449	Non-hydrogen_Atom_Count	7
446753	Rotatable_Bond_Count	4
53324128	Exact_Mass	446.14642732
20928	Undefined_Bond_Stereo_Count	0
26111	Isotope_Atom_Count	0
87485	Hydrogen_Bond_Acceptor_Count	3
12529691	Undefined_Atom_Stereo_Count	0
19997	Isotope_Atom_Count	0
21916	TPSA	12.5
21630	Tautomer_Count	1
7073	XLogP3	1.4
2712	Undefined_Bond_Stereo_Count	0
5726	TPSA	93.2
10291132	Undefined_Atom_Stereo_Count	0
9821174	Covalent_Unit_Count	1
91667752	TPSA	290
320	Undefined_Bond_Stereo_Count	0
13413379	Undefined_Bond_Stereo_Count	0
96098	Defined_Atom_Stereo_Count	0
19262	Covalent_Unit_Count	1
10493936	Hydrogen_Bond_Donor_Count	1
157365551	XLogP3-AA	2.5
102614	Isotope_Atom_Count	0
20807398	Rotatable_Bond_Count	20
13972130	Structure_Complexity	76.6
90905460	XLogP3-AA	0.8
9785	Undefined_Bond_Stereo_Count	0
12630477	Undefined_Atom_Stereo_Count	2
72582	Total_Formal_Charge	0
13532837	Total_Formal_Charge	0
9255	Covalent_Unit_Count	1
12873460	TPSA	239
7114	Rotatable_Bond_Count	1
15778	Defined_Bond_Stereo_Count	0
439196	Hydrogen_Bond_Acceptor_Count	4
11762	Hydrogen_Bond_Donor_Count	2
76326	TPSA	26.3
21067	Hydrogen_Bond_Acceptor_Count	3
17184	Exact_Mass	387.13517331
71481097	Covalent_Unit_Count	1
8902	Rotatable_Bond_Count	4
56665393	Isotope_Atom_Count	0
96261	Hydrogen_Bond_Donor_Count	1
8099	Non-hydrogen_Atom_Count	16
13194811	Hydrogen_Bond_Acceptor_Count	3
55285439	Rotatable_Bond_Count	0
104774	Rotatable_Bond_Count	10
1449	XLogP3	7.1
57057056	Hydrogen_Bond_Donor_Count	1
145003683	Non-hydrogen_Atom_Count	8
25142172	Covalent_Unit_Count	1
6074	Defined_Bond_Stereo_Count	0
89555	Hydrogen_Bond_Donor_Count	0
9837419	Hydrogen_Bond_Acceptor_Count	0
5352833	Non-hydrogen_Atom_Count	8
709955	Total_Formal_Charge	0
398661	Hydrogen_Bond_Donor_Count	1
129229305	XLogP3-AA	1.7
129	XLogP3-AA	1.3
518760	Tautomer_Count	1
148816436	Defined_Atom_Stereo_Count	0
69371	Rotatable_Bond_Count	0
657181	Defined_Bond_Stereo_Count	0
6917697	Covalent_Unit_Count	2
65937	Hydrogen_Bond_Donor_Count	2
145832	Structure_Complexity	124
23394557	Total_Formal_Charge	0
4293071	Defined_Bond_Stereo_Count	0
62871	Isotope_Atom_Count	0
79724	Exact_Mass	330.09192877
119095779	Defined_Bond_Stereo_Count	0
12323351	Total_Formal_Charge	0
9548611	Isotope_Atom_Count	0
44457029	TPSA	73.2
3685	Exact_Mass	497.16858144
1392	Covalent_Unit_Count	1
53914733	Rotatable_Bond_Count	0
39521	Undefined_Bond_Stereo_Count	0
5486209	Undefined_Atom_Stereo_Count	0
3081938	Structure_Complexity	417
91899080	Isotope_Atom_Count	0
165971	Defined_Atom_Stereo_Count	0
91593	Undefined_Bond_Stereo_Count	0
25077993	Molecular_Weight	1323.5
701	Undefined_Atom_Stereo_Count	1
439568	XLogP3	2.7
2761815	Hydrogen_Bond_Donor_Count	2
10975417	Molecular_Weight	99.17
6574	Exact_Mass	131.930033
13529	Covalent_Unit_Count	1
20688852	Hydrogen_Bond_Acceptor_Count	2
22603628	TPSA	63.3
68466	Undefined_Atom_Stereo_Count	0
562729	Molecular_Weight	192.21
4724	Molecular_Weight	291.4
44160	Hydrogen_Bond_Acceptor_Count	3
3052777	Mono_Isotopic_Weight	373.0384821
6439447	Undefined_Atom_Stereo_Count	0
21737	XLogP3-AA	1.4
3073	XLogP3	0.6
5301	Rotatable_Bond_Count	4
86146	Hydrogen_Bond_Acceptor_Count	3
30154	Total_Formal_Charge	0
47641	Hydrogen_Bond_Acceptor_Count	1
42108	Rotatable_Bond_Count	4
129628181	Structure_Complexity	2340
7045654	Total_Formal_Charge	1
84589	Hydrogen_Bond_Acceptor_Count	2
1119	Exact_Mass	63.96190041
4562	Undefined_Bond_Stereo_Count	4
60196259	Non-hydrogen_Atom_Count	35
148184	TPSA	46.1
24884773	Isotope_Atom_Count	0
6433164	Tautomer_Count	1
12394845	Total_Formal_Charge	0
8667	Hydrogen_Bond_Donor_Count	1
156614100	Covalent_Unit_Count	3
143847825	Exact_Mass	112.027277375
96090	Mono_Isotopic_Weight	111.048427358
9082	Isotope_Atom_Count	0
5702293	Covalent_Unit_Count	2
39929	Non-hydrogen_Atom_Count	17
96458	Defined_Bond_Stereo_Count	0
37427	Tautomer_Count	1
3073	Non-hydrogen_Atom_Count	11
2733525	Covalent_Unit_Count	2
98051220	Defined_Bond_Stereo_Count	0
23675258	Molecular_Weight	205.17
69270	Structure_Complexity	97.8
3034023	Total_Formal_Charge	0
9826358	Defined_Atom_Stereo_Count	7
11457675	Defined_Atom_Stereo_Count	0
688154	Defined_Atom_Stereo_Count	2
123934238	Undefined_Atom_Stereo_Count	3
23665763	Defined_Atom_Stereo_Count	0
128563	TPSA	109
96382	Undefined_Atom_Stereo_Count	0
22099238	Non-hydrogen_Atom_Count	8
5282451	Defined_Atom_Stereo_Count	4
25163980	Defined_Atom_Stereo_Count	4
117488	Isotope_Atom_Count	0
133109195	Covalent_Unit_Count	1
178024	XLogP3-AA	1.3
11520819	Non-hydrogen_Atom_Count	64
793266	Total_Formal_Charge	0
70685697	XLogP3-AA	4.3
5122	Hydrogen_Bond_Acceptor_Count	3
15981397	Hydrogen_Bond_Acceptor_Count	5
158299	Hydrogen_Bond_Donor_Count	0
17856440	Exact_Mass	103.099714038
125892	Non-hydrogen_Atom_Count	53
102484	Total_Formal_Charge	0
6433266	Total_Formal_Charge	0
681	Structure_Complexity	119
3973	Non-hydrogen_Atom_Count	23
5491989	Defined_Atom_Stereo_Count	4
102334657	Non-hydrogen_Atom_Count	33
13978	Tautomer_Count	3
3681	Isotope_Atom_Count	0
30619	Hydrogen_Bond_Donor_Count	1
447377	Total_Formal_Charge	0
54236240	Defined_Atom_Stereo_Count	0
167724	Tautomer_Count	1
12977	Isotope_Atom_Count	0
10492	Isotope_Atom_Count	0
6418719	Hydrogen_Bond_Donor_Count	1
71511839	Non-hydrogen_Atom_Count	71
10153996	TPSA	24.6
440141	Isotope_Atom_Count	0
137430	Total_Formal_Charge	0
174174	Non-hydrogen_Atom_Count	21
656652	Defined_Bond_Stereo_Count	0
9939152	Total_Formal_Charge	0
30868	Total_Formal_Charge	2
44629592	Rotatable_Bond_Count	14
57458911	Non-hydrogen_Atom_Count	17
9576885	Covalent_Unit_Count	1
439177	Molecular_Weight	666.6
131878633	Covalent_Unit_Count	1
79882	Covalent_Unit_Count	1
89859387	Defined_Bond_Stereo_Count	0
13379	Exact_Mass	142.172150702
10848	Defined_Bond_Stereo_Count	0
67236438	Hydrogen_Bond_Donor_Count	3
22603659	Mono_Isotopic_Weight	109.052763847
6532434	Undefined_Atom_Stereo_Count	0
13347991	Molecular_Weight	108.18
23688957	Hydrogen_Bond_Donor_Count	1
580566	Covalent_Unit_Count	1
32518	Molecular_Weight	297.5
5284517	Isotope_Atom_Count	0
107901	Hydrogen_Bond_Acceptor_Count	4
21778241	Undefined_Bond_Stereo_Count	0
1212	TPSA	118
6850744	Covalent_Unit_Count	1
24900942	Structure_Complexity	656
57417071	TPSA	115
314282	Hydrogen_Bond_Donor_Count	1
490	Exact_Mass	123.99254563
14718277	Molecular_Weight	112.13
138062	Non-hydrogen_Atom_Count	7
5353627	Structure_Complexity	590
14086017	Isotope_Atom_Count	0
134129158	Molecular_Weight	338.22
70693538	Exact_Mass	438.1955211
4518	Total_Formal_Charge	0
18546557	Hydrogen_Bond_Acceptor_Count	4
109022	Covalent_Unit_Count	1
3038525	Non-hydrogen_Atom_Count	28
8978	Hydrogen_Bond_Donor_Count	0
162	Hydrogen_Bond_Acceptor_Count	5
18719	Rotatable_Bond_Count	5
22812625	Hydrogen_Bond_Donor_Count	4
72924	Mono_Isotopic_Weight	139.026943022
65787	Undefined_Bond_Stereo_Count	0
656673	Covalent_Unit_Count	1
169607	Tautomer_Count	2
139024568	Total_Formal_Charge	0
135019428	Total_Formal_Charge	0
23683747	Molecular_Weight	201.24
146156970	Exact_Mass	1346.574890
102533943	Hydrogen_Bond_Donor_Count	2
5256228	Undefined_Atom_Stereo_Count	0
148184759	TPSA	21.9
36354	Hydrogen_Bond_Donor_Count	1
66260	Hydrogen_Bond_Acceptor_Count	2
885959	XLogP3-AA	3.1
54900	Non-hydrogen_Atom_Count	35
21835817	Non-hydrogen_Atom_Count	7
9548819	Non-hydrogen_Atom_Count	6
39912	Total_Formal_Charge	0
31872	Total_Formal_Charge	0
21917771	Hydrogen_Bond_Acceptor_Count	2
20784398	TPSA	9.2
81151	Tautomer_Count	2
3049698	Non-hydrogen_Atom_Count	21
67296	Hydrogen_Bond_Donor_Count	1
121494073	Undefined_Atom_Stereo_Count	0
148123	Structure_Complexity	1660
441302	Defined_Atom_Stereo_Count	7
151248	Undefined_Atom_Stereo_Count	0
130368	Covalent_Unit_Count	1
6321411	Molecular_Weight	453.5
3843063	Undefined_Bond_Stereo_Count	0
17860	Mono_Isotopic_Weight	177.126597491
511	Rotatable_Bond_Count	10
229075	Exact_Mass	110.059246208
21851	Molecular_Weight	324.8
177120	Undefined_Bond_Stereo_Count	0
11099	Exact_Mass	167.094628657
11684	Hydrogen_Bond_Acceptor_Count	2
9817140	Hydrogen_Bond_Donor_Count	1
18626415	Structure_Complexity	63.1
14566517	Rotatable_Bond_Count	0
38706	Defined_Atom_Stereo_Count	0
543562	Defined_Bond_Stereo_Count	0
70480837	Exact_Mass	109.027611728
12594	Isotope_Atom_Count	0
4192	Defined_Bond_Stereo_Count	0
127909	Covalent_Unit_Count	1
11503827	Mono_Isotopic_Weight	474.1710204
10101	Tautomer_Count	6
71356656	Undefined_Bond_Stereo_Count	1
57164232	Exact_Mass	106.041864811
6431771	Hydrogen_Bond_Donor_Count	3
67691	Undefined_Atom_Stereo_Count	0
12769202	Molecular_Weight	113.11
71593	Molecular_Weight	149.15
72196	Mono_Isotopic_Weight	532.16615634
54581776	TPSA	89
15810462	Total_Formal_Charge	0
24860971	Structure_Complexity	410
7512	Total_Formal_Charge	0
14017	Covalent_Unit_Count	1
5392139	TPSA	63.6
25142172	Hydrogen_Bond_Donor_Count	2
104956	Exact_Mass	366.19434270
72155	Isotope_Atom_Count	0
505	Undefined_Atom_Stereo_Count	4
91495606	Mono_Isotopic_Weight	114.104465066
5489120	Undefined_Atom_Stereo_Count	0
6994	Exact_Mass	122.073164938
37873	Molecular_Weight	88.06
12966	Exact_Mass	202.12050905
137092	Defined_Atom_Stereo_Count	0
88898	Defined_Bond_Stereo_Count	0
25131330	TPSA	81.3
12671783	Total_Formal_Charge	0
14025	Mono_Isotopic_Weight	280.13421502
452254	Exact_Mass	355.94971
74267	Mono_Isotopic_Weight	398.13532476
91759533	Covalent_Unit_Count	1
101602	Rotatable_Bond_Count	2
546259	Mono_Isotopic_Weight	192.151415257
13362	Isotope_Atom_Count	0
174341	Structure_Complexity	345
15627	Molecular_Weight	160.25
439284	Isotope_Atom_Count	0
18759351	Isotope_Atom_Count	0
16659836	Isotope_Atom_Count	0
21324831	XLogP3-AA	1.1
475	Non-hydrogen_Atom_Count	15
54530170	Isotope_Atom_Count	0
68186	Non-hydrogen_Atom_Count	28
154354742	Undefined_Bond_Stereo_Count	0
118039329	Structure_Complexity	756
134812042	Hydrogen_Bond_Acceptor_Count	11
123835510	Hydrogen_Bond_Acceptor_Count	3
28506	Structure_Complexity	328
12127	Defined_Bond_Stereo_Count	0
720364	Structure_Complexity	560
6918295	Covalent_Unit_Count	1
8330	Rotatable_Bond_Count	0
143184805	Defined_Atom_Stereo_Count	0
160796	Hydrogen_Bond_Donor_Count	2
82953	Rotatable_Bond_Count	0
70916	Exact_Mass	226.12050905
139692	Covalent_Unit_Count	1
23341440	Isotope_Atom_Count	0
34338	Isotope_Atom_Count	0
13556	Hydrogen_Bond_Acceptor_Count	0
3467	Structure_Complexity	636
5358907	Structure_Complexity	391
15679	Non-hydrogen_Atom_Count	19
7505	Hydrogen_Bond_Donor_Count	0
5327686	Non-hydrogen_Atom_Count	30
150748	Undefined_Atom_Stereo_Count	2
6397	Rotatable_Bond_Count	0
12332146	Defined_Atom_Stereo_Count	0
3035541	Hydrogen_Bond_Acceptor_Count	4
162636	Defined_Bond_Stereo_Count	0
9821217	Covalent_Unit_Count	1
6399253	Isotope_Atom_Count	0
53361968	Undefined_Bond_Stereo_Count	0
138801	Molecular_Weight	274.5
140554	Covalent_Unit_Count	1
51055169	Hydrogen_Bond_Donor_Count	3
88483	Isotope_Atom_Count	0
42163	Rotatable_Bond_Count	6
191841	Exact_Mass	376.308978523
75779	Rotatable_Bond_Count	28
1059	Total_Formal_Charge	0
136516	Tautomer_Count	1
11424880	Hydrogen_Bond_Donor_Count	1
4686860	Defined_Atom_Stereo_Count	0
57397762	Hydrogen_Bond_Acceptor_Count	5
85624637	Molecular_Weight	102.13
529197	Covalent_Unit_Count	1
79014	Hydrogen_Bond_Acceptor_Count	3
42174	Total_Formal_Charge	0
5384293	Covalent_Unit_Count	1
227430	Rotatable_Bond_Count	6
12394845	Undefined_Atom_Stereo_Count	1
24840945	Mono_Isotopic_Weight	127.099714038
162715424	Covalent_Unit_Count	1
36829	Tautomer_Count	1
20205	Mono_Isotopic_Weight	102.068079557
96129	Undefined_Bond_Stereo_Count	0
68343	Defined_Bond_Stereo_Count	0
15279	Molecular_Weight	207.23
10382	Undefined_Atom_Stereo_Count	0
6881	Structure_Complexity	308
84653	Mono_Isotopic_Weight	199.99388650
193290	Defined_Atom_Stereo_Count	0
10239891	Hydrogen_Bond_Donor_Count	4
20147457	Rotatable_Bond_Count	0
7210	Molecular_Weight	282.34
356101	Mono_Isotopic_Weight	113.058911855
535	Covalent_Unit_Count	1
16220095	Non-hydrogen_Atom_Count	38
11750	Rotatable_Bond_Count	1
5232423	Hydrogen_Bond_Acceptor_Count	3
89268685	Covalent_Unit_Count	1
145740525	Hydrogen_Bond_Acceptor_Count	2
11597698	Rotatable_Bond_Count	8
21162824	Undefined_Atom_Stereo_Count	2
142149539	Isotope_Atom_Count	0
4060	Mono_Isotopic_Weight	218.105527694
6921821	Undefined_Bond_Stereo_Count	0
76324338	Covalent_Unit_Count	1
71312086	TPSA	98
123114	Mono_Isotopic_Weight	70.041864811
11693521	Exact_Mass	811.47314329
22751786	Structure_Complexity	131
560256	Covalent_Unit_Count	2
20644743	Structure_Complexity	318
17652	Tautomer_Count	1
71463826	Isotope_Atom_Count	0
5352130	Isotope_Atom_Count	0
16682730	Non-hydrogen_Atom_Count	11
16091082	Defined_Bond_Stereo_Count	0
8974	Isotope_Atom_Count	0
71450704	Exact_Mass	486.16853912
24865390	Non-hydrogen_Atom_Count	22
24853	Undefined_Atom_Stereo_Count	0
11181	Molecular_Weight	100.12
184934	Non-hydrogen_Atom_Count	34
13711	Hydrogen_Bond_Acceptor_Count	4
40468	Defined_Bond_Stereo_Count	0
14434921	Total_Formal_Charge	0
13204363	Non-hydrogen_Atom_Count	6
12971800	Molecular_Weight	598.6
443971	Defined_Atom_Stereo_Count	0
9604	Hydrogen_Bond_Donor_Count	0
13415147	Defined_Atom_Stereo_Count	0
16678045	TPSA	112
24950485	Isotope_Atom_Count	0
73082918	Structure_Complexity	811
28697	TPSA	45.8
55285855	Structure_Complexity	77.7
14497	Isotope_Atom_Count	0
6764	Defined_Atom_Stereo_Count	0
5281232	Covalent_Unit_Count	1
637520	Rotatable_Bond_Count	3
644021	Undefined_Atom_Stereo_Count	0
58550573	Rotatable_Bond_Count	0
9387	Non-hydrogen_Atom_Count	26
129671761	Undefined_Atom_Stereo_Count	2
5460094	Structure_Complexity	756
6436870	Molecular_Weight	393.5
16693	Mono_Isotopic_Weight	187.9795702
56619338	TPSA	117
231	Isotope_Atom_Count	0
10597	Rotatable_Bond_Count	0
7460	Rotatable_Bond_Count	1
15615	Total_Formal_Charge	0
75868	Hydrogen_Bond_Acceptor_Count	5
89027474	Defined_Bond_Stereo_Count	0
13813927	Hydrogen_Bond_Acceptor_Count	2
449517	Rotatable_Bond_Count	27
131709225	Mono_Isotopic_Weight	908.38775915
55286286	Hydrogen_Bond_Donor_Count	1
9255	Exact_Mass	69.021463719
60196353	XLogP3-AA	5.1
118210659	Undefined_Atom_Stereo_Count	0
136355	Structure_Complexity	58.3
68976	Molecular_Weight	153.95
14970970	Undefined_Atom_Stereo_Count	1
3001662	Non-hydrogen_Atom_Count	30
71107	Defined_Bond_Stereo_Count	0
59279784	Undefined_Bond_Stereo_Count	0
18603	Mono_Isotopic_Weight	243.87345
31278	Undefined_Atom_Stereo_Count	0
7452	Defined_Bond_Stereo_Count	0
92763	Molecular_Weight	547.5
9094	Molecular_Weight	158.26
6819	Hydrogen_Bond_Acceptor_Count	6
122662800	Defined_Atom_Stereo_Count	0
49865920	Exact_Mass	350.199428076
71571512	Covalent_Unit_Count	1
39764	Hydrogen_Bond_Acceptor_Count	6
5606	Undefined_Atom_Stereo_Count	1
104802	Mono_Isotopic_Weight	346.16008244
88314418	Defined_Atom_Stereo_Count	0
10288191	Total_Formal_Charge	0
17046	Defined_Bond_Stereo_Count	0
169	Undefined_Atom_Stereo_Count	2
867	Structure_Complexity	83.1
82234717	Hydrogen_Bond_Acceptor_Count	2
82746	TPSA	75.8
44719848	Defined_Bond_Stereo_Count	0
11776	Undefined_Bond_Stereo_Count	0
90657760	Molecular_Weight	341.4
92058	Molecular_Weight	186.29
12263095	Isotope_Atom_Count	0
54258707	Rotatable_Bond_Count	2
87645235	Total_Formal_Charge	0
185654	Undefined_Atom_Stereo_Count	0
11744314	XLogP3-AA	2.8
10866295	TPSA	52
53767921	Defined_Bond_Stereo_Count	0
8569	XLogP3	3.3
12668	Undefined_Bond_Stereo_Count	3
13968540	Rotatable_Bond_Count	3
86412	Undefined_Bond_Stereo_Count	0
91635	Defined_Atom_Stereo_Count	0
130025113	Rotatable_Bond_Count	0
644109	Covalent_Unit_Count	1
71387	Hydrogen_Bond_Donor_Count	1
1553	Total_Formal_Charge	0
72200292	Isotope_Atom_Count	0
57403932	Isotope_Atom_Count	0
95566291	Exact_Mass	416.32904526
67529	Defined_Atom_Stereo_Count	0
9800555	Defined_Bond_Stereo_Count	1
38666	Rotatable_Bond_Count	2
7643	Hydrogen_Bond_Acceptor_Count	2
6433095	Non-hydrogen_Atom_Count	41
146474223	Exact_Mass	116.047344113
3245	Undefined_Bond_Stereo_Count	0
75282141	Rotatable_Bond_Count	4
449171	XLogP3	6.3
117963	Structure_Complexity	321
3400	XLogP3	3
254598	Hydrogen_Bond_Donor_Count	0
5357258	TPSA	0
135436520	TPSA	393
10820486	Structure_Complexity	177
67258371	Isotope_Atom_Count	0
68013637	Defined_Atom_Stereo_Count	4
43708	Isotope_Atom_Count	0
138694	Undefined_Bond_Stereo_Count	0
81059	Hydrogen_Bond_Donor_Count	4
6941	Tautomer_Count	1
61030	Structure_Complexity	132
72941511	Non-hydrogen_Atom_Count	31
35459	Hydrogen_Bond_Acceptor_Count	2
7934	XLogP3	1.4
68503813	Undefined_Bond_Stereo_Count	0
13639781	Exact_Mass	107.037113783
12663409	Isotope_Atom_Count	0
46781343	Total_Formal_Charge	0
93154	Isotope_Atom_Count	0
556998	Defined_Bond_Stereo_Count	0
2583694	Undefined_Bond_Stereo_Count	0
6386647	Tautomer_Count	3
21662703	Exact_Mass	108.068748264
12985	Total_Formal_Charge	0
88520001	Defined_Bond_Stereo_Count	1
101301	Structure_Complexity	503
24721009	Exact_Mass	280.1706265
67517	Rotatable_Bond_Count	0
32446	Molecular_Weight	357.9
801471	Undefined_Atom_Stereo_Count	0
13349550	Structure_Complexity	150
69272932	TPSA	62.2
702695	Molecular_Weight	183.12
15239355	Structure_Complexity	69.2
78431	Isotope_Atom_Count	0
11589318	Defined_Atom_Stereo_Count	0
113415	Defined_Atom_Stereo_Count	0
5311067	Exact_Mass	376.20498756
13764	Total_Formal_Charge	0
16757820	Undefined_Atom_Stereo_Count	1
77266	XLogP3-AA	7.4
85441390	TPSA	9.2
122214398	Isotope_Atom_Count	0
9707	Defined_Bond_Stereo_Count	0
105426944	Exact_Mass	101.084063974
316975	Molecular_Weight	209.22
25142042	Undefined_Atom_Stereo_Count	0
543882	Hydrogen_Bond_Acceptor_Count	1
2863945	Rotatable_Bond_Count	3
159772	Undefined_Bond_Stereo_Count	0
14010989	Rotatable_Bond_Count	10
2779183	Hydrogen_Bond_Acceptor_Count	1
43095	Defined_Bond_Stereo_Count	0
136142	Covalent_Unit_Count	1
70383887	Covalent_Unit_Count	1
6999971	Mono_Isotopic_Weight	114.02924926
6438331	Defined_Atom_Stereo_Count	2
74764517	Isotope_Atom_Count	0
18329111	Undefined_Atom_Stereo_Count	0
20583864	Structure_Complexity	70.8
23479	TPSA	12
154734173	Undefined_Bond_Stereo_Count	0
9162	Structure_Complexity	361
28327	Covalent_Unit_Count	3
2590	Undefined_Atom_Stereo_Count	8
7280190	Defined_Atom_Stereo_Count	0
44442065	Hydrogen_Bond_Acceptor_Count	5
5928432	Rotatable_Bond_Count	19
5308	Exact_Mass	272.0716407
14765771	TPSA	49.8
196981	Hydrogen_Bond_Acceptor_Count	2
14989494	Covalent_Unit_Count	1
21679899	Molecular_Weight	98.14
132399083	Undefined_Atom_Stereo_Count	0
13129031	Structure_Complexity	111
7732	Defined_Atom_Stereo_Count	0
139044268	Molecular_Weight	324.4
71221	Hydrogen_Bond_Donor_Count	1
16743818	Hydrogen_Bond_Acceptor_Count	2
352114	Undefined_Atom_Stereo_Count	1
21987711	Non-hydrogen_Atom_Count	8
779642	Covalent_Unit_Count	1
542381	Hydrogen_Bond_Acceptor_Count	3
458139	Hydrogen_Bond_Acceptor_Count	1
400772	Undefined_Atom_Stereo_Count	0
12393169	Undefined_Bond_Stereo_Count	0
11698194	Covalent_Unit_Count	1
110785	Defined_Atom_Stereo_Count	0
707	TPSA	20.2
90352849	Non-hydrogen_Atom_Count	8
83812	Structure_Complexity	128
6369059	Total_Formal_Charge	1
93019	XLogP3-AA	1.3
57369982	Total_Formal_Charge	0
2296	Exact_Mass	491.20563565
54270986	Exact_Mass	339.97701816
124225	Undefined_Atom_Stereo_Count	1
30856	Rotatable_Bond_Count	0
321858	Total_Formal_Charge	0
11596660	Non-hydrogen_Atom_Count	31
11126230	Covalent_Unit_Count	1
57707	Mono_Isotopic_Weight	305.0949343
63935844	Rotatable_Bond_Count	1
151062	Tautomer_Count	1
484651	Defined_Atom_Stereo_Count	0
244030	Structure_Complexity	159
23663400	Rotatable_Bond_Count	3
156024996	Defined_Bond_Stereo_Count	0
551428	Non-hydrogen_Atom_Count	8
54466147	Isotope_Atom_Count	0
5354264	Defined_Atom_Stereo_Count	0
25142970	Isotope_Atom_Count	0
54269666	Non-hydrogen_Atom_Count	6
40602794	Molecular_Weight	170.08
24181110	Total_Formal_Charge	0
89748954	XLogP3-AA	1.6
3289	XLogP3	3.6
56964111	Undefined_Atom_Stereo_Count	0
40605	TPSA	163
11180	Exact_Mass	350.143551
57238241	Rotatable_Bond_Count	1
11073365	Total_Formal_Charge	0
7695	Undefined_Atom_Stereo_Count	0
58666267	Isotope_Atom_Count	0
5284607	Structure_Complexity	696
67940	Undefined_Bond_Stereo_Count	0
53077	Defined_Atom_Stereo_Count	2
11013485	Isotope_Atom_Count	0
20441	Mono_Isotopic_Weight	147.05315777
720	Defined_Bond_Stereo_Count	0
642157	Rotatable_Bond_Count	0
534204	Structure_Complexity	112
3702	Hydrogen_Bond_Donor_Count	2
91571687	Non-hydrogen_Atom_Count	7
5283393	Molecular_Weight	303.5
101625661	Non-hydrogen_Atom_Count	29
69049742	Undefined_Bond_Stereo_Count	0
91172822	Undefined_Bond_Stereo_Count	2
53555	Rotatable_Bond_Count	5
16133838	Structure_Complexity	6820
668624	Total_Formal_Charge	0
4646	Defined_Bond_Stereo_Count	0
1265	Molecular_Weight	485.5
5078	Undefined_Atom_Stereo_Count	0
17912027	Isotope_Atom_Count	0
14789	Hydrogen_Bond_Donor_Count	2
304035	Tautomer_Count	1
69558	Defined_Bond_Stereo_Count	0
53918	Defined_Bond_Stereo_Count	0
66248	Exact_Mass	354.20691876
91471800	Undefined_Atom_Stereo_Count	0
21715653	Hydrogen_Bond_Donor_Count	0
918412	Defined_Bond_Stereo_Count	0
122706529	Hydrogen_Bond_Donor_Count	6
54150876	TPSA	64.6
127601	Non-hydrogen_Atom_Count	28
933147	Undefined_Atom_Stereo_Count	0
3081	Undefined_Atom_Stereo_Count	0
49	Hydrogen_Bond_Acceptor_Count	3
59185552	TPSA	37.4
65844	Undefined_Atom_Stereo_Count	1
5469318	Covalent_Unit_Count	1
20439251	Undefined_Atom_Stereo_Count	1
135071	Undefined_Bond_Stereo_Count	0
142518	Undefined_Bond_Stereo_Count	0
6971	Non-hydrogen_Atom_Count	13
21917771	Rotatable_Bond_Count	0
13220626	Isotope_Atom_Count	0
6321340	Undefined_Atom_Stereo_Count	0
51299	Structure_Complexity	151
80293	Undefined_Atom_Stereo_Count	0
4672596	Undefined_Bond_Stereo_Count	0
58265166	Hydrogen_Bond_Donor_Count	5
65506	Non-hydrogen_Atom_Count	36
68748	Covalent_Unit_Count	1
16064	Hydrogen_Bond_Acceptor_Count	3
62706165	XLogP3-AA	3.7
5284648	Exact_Mass	270.05282342
220001	Defined_Bond_Stereo_Count	0
3732019	Defined_Bond_Stereo_Count	0
141169621	Undefined_Bond_Stereo_Count	0
36250	Tautomer_Count	1
11404337	Rotatable_Bond_Count	2
26928	Defined_Bond_Stereo_Count	0
55993	Tautomer_Count	1
8461	Covalent_Unit_Count	1
13046622	Undefined_Atom_Stereo_Count	0
20585	Defined_Bond_Stereo_Count	0
22168583	Isotope_Atom_Count	0
12576852	Covalent_Unit_Count	1
3047803	Defined_Atom_Stereo_Count	2
788781	XLogP3-AA	4.3
91740	Defined_Atom_Stereo_Count	0
153977505	Molecular_Weight	96.09
643447	Covalent_Unit_Count	1
22238533	Hydrogen_Bond_Donor_Count	1
5316860	Molecular_Weight	372.4
643732	TPSA	74.6
101239377	Covalent_Unit_Count	1
5281025	Molecular_Weight	883.1
47953	Defined_Bond_Stereo_Count	0
20202559	Total_Formal_Charge	0
64054	Isotope_Atom_Count	0
115171944	Hydrogen_Bond_Donor_Count	0
12695916	Undefined_Atom_Stereo_Count	2
123254	Undefined_Atom_Stereo_Count	0
6021893	Undefined_Atom_Stereo_Count	0
411580	Covalent_Unit_Count	1
81255	Defined_Bond_Stereo_Count	0
119391	Total_Formal_Charge	0
88276	TPSA	41.5
20587930	XLogP3-AA	0.2
21405	Defined_Bond_Stereo_Count	0
13694	Exact_Mass	212.0392780
534055	Hydrogen_Bond_Donor_Count	1
9794218	Undefined_Bond_Stereo_Count	0
70580528	Isotope_Atom_Count	0
101348253	Undefined_Bond_Stereo_Count	0
78362	Mono_Isotopic_Weight	158.011627311
84693	Covalent_Unit_Count	1
520660	Covalent_Unit_Count	1
68201	Molecular_Weight	225.35
4949	Undefined_Atom_Stereo_Count	0
91667752	Hydrogen_Bond_Donor_Count	3
24186254	Undefined_Atom_Stereo_Count	0
73670	Non-hydrogen_Atom_Count	20
65110	Hydrogen_Bond_Acceptor_Count	10
18521191	Exact_Mass	97.089149355
51556	Mono_Isotopic_Weight	437.9900194
400	Hydrogen_Bond_Donor_Count	1
5282198	Exact_Mass	266.224580195
89158693	Molecular_Weight	110.15
60573	Tautomer_Count	6
22731	Hydrogen_Bond_Donor_Count	0
53316386	Undefined_Atom_Stereo_Count	0
102430914	Undefined_Bond_Stereo_Count	0
25222253	Molecular_Weight	231.11
86350	Undefined_Bond_Stereo_Count	0
3034285	Structure_Complexity	646
4402648	Hydrogen_Bond_Donor_Count	2
91945062	Undefined_Atom_Stereo_Count	3
53490	Non-hydrogen_Atom_Count	30
6197820	Undefined_Atom_Stereo_Count	0
136582	Exact_Mass	100.088815002
8276	Undefined_Atom_Stereo_Count	0
13399110	Hydrogen_Bond_Donor_Count	0
25244520	Undefined_Atom_Stereo_Count	0
137092	Defined_Bond_Stereo_Count	0
24945227	Isotope_Atom_Count	0
117890905	Structure_Complexity	113
7016	Structure_Complexity	180
73952292	Exact_Mass	665.30474055
78201192	Defined_Atom_Stereo_Count	0
12705072	TPSA	20.2
75846	Mono_Isotopic_Weight	220.01289061
46738768	XLogP3-AA	0.6
25052023	Defined_Bond_Stereo_Count	0
59296000	Non-hydrogen_Atom_Count	32
23423585	Structure_Complexity	58.7
65125	TPSA	84.7
21942786	TPSA	46.3
12172743	XLogP3-AA	1.3
67511	Hydrogen_Bond_Donor_Count	0
11137427	Rotatable_Bond_Count	3
58814044	Exact_Mass	96.068748264
99564	XLogP3-AA	0.1
9945927	Rotatable_Bond_Count	5
24872560	Isotope_Atom_Count	0
167659	Molecular_Weight	172.15
44359653	Undefined_Bond_Stereo_Count	0
12386899	Rotatable_Bond_Count	3
11495505	Defined_Atom_Stereo_Count	0
32594	Structure_Complexity	128
7107	Defined_Bond_Stereo_Count	0
688297	Molecular_Weight	217.02
70943	TPSA	25.8
431249	Structure_Complexity	668
112412	TPSA	50.9
20387201	Defined_Bond_Stereo_Count	0
439318	Rotatable_Bond_Count	6
17352	Exact_Mass	71.073499291
56670034	TPSA	74.7
11593	Defined_Atom_Stereo_Count	0
121749	Total_Formal_Charge	0
11161534	Hydrogen_Bond_Acceptor_Count	3
28532	TPSA	95.6
6986	Structure_Complexity	149
107169	Hydrogen_Bond_Acceptor_Count	1
5323974	Covalent_Unit_Count	1
147614	Exact_Mass	130.110613074
9863827	Undefined_Atom_Stereo_Count	0
83064	TPSA	114
25200541	Defined_Bond_Stereo_Count	0
9978	TPSA	37.3
95299	Rotatable_Bond_Count	3
75466425	Exact_Mass	294.173213330
24855	Covalent_Unit_Count	1
382	Defined_Atom_Stereo_Count	0
90853172	Mono_Isotopic_Weight	112.125200510
10486805	Molecular_Weight	100.12
44207128	Hydrogen_Bond_Donor_Count	0
6359	Exact_Mass	161.86387
78357784	Undefined_Atom_Stereo_Count	0
13651	Total_Formal_Charge	0
49087	Mono_Isotopic_Weight	353.2121570
11796	Defined_Bond_Stereo_Count	0
911	Hydrogen_Bond_Acceptor_Count	4
439551	Non-hydrogen_Atom_Count	25
73829111	Structure_Complexity	82.2
75644	Rotatable_Bond_Count	1
77927	Defined_Bond_Stereo_Count	0
15811016	Mono_Isotopic_Weight	182.018755
135449328	Non-hydrogen_Atom_Count	31
14180	Covalent_Unit_Count	1
359379	Undefined_Atom_Stereo_Count	0
8388	Hydrogen_Bond_Acceptor_Count	3
3354	Hydrogen_Bond_Acceptor_Count	5
547995	Non-hydrogen_Atom_Count	7
297812	Molecular_Weight	319.26
1548994	Undefined_Bond_Stereo_Count	0
4911	Molecular_Weight	285.36
68157	Hydrogen_Bond_Donor_Count	0
135421876	Mono_Isotopic_Weight	137.03375974
82452	Isotope_Atom_Count	0
9604	Tautomer_Count	1
3083540	Structure_Complexity	439
90479	Covalent_Unit_Count	1
14050	Isotope_Atom_Count	0
16134627	Hydrogen_Bond_Acceptor_Count	30
12302654	Rotatable_Bond_Count	4
5169	TPSA	61.8
135403802	TPSA	107
22875828	Rotatable_Bond_Count	2
89707354	Isotope_Atom_Count	0
67330085	TPSA	169
55287853	Structure_Complexity	89.5
656685	TPSA	143
455041	Structure_Complexity	331
131737226	Defined_Atom_Stereo_Count	0
59059041	Hydrogen_Bond_Acceptor_Count	3
139256539	Undefined_Bond_Stereo_Count	0
6561	XLogP3-AA	0.8
29758	Structure_Complexity	158
678293	Molecular_Weight	312.3
87490405	Non-hydrogen_Atom_Count	8
11167	Defined_Bond_Stereo_Count	0
268488	Total_Formal_Charge	0
4377	Non-hydrogen_Atom_Count	7
8083388	Total_Formal_Charge	0
8756	Undefined_Bond_Stereo_Count	0
6918223	Molecular_Weight	304.73
221145	Exact_Mass	100.052429494
68624	Total_Formal_Charge	0
9852519	Defined_Atom_Stereo_Count	0
1102	Structure_Complexity	56.8
6921705	Undefined_Atom_Stereo_Count	0
96780	Non-hydrogen_Atom_Count	17
21677822	XLogP3-AA	2.7
53318409	Defined_Atom_Stereo_Count	0
23625795	Molecular_Weight	588.2
58014	Hydrogen_Bond_Acceptor_Count	8
18403043	Undefined_Atom_Stereo_Count	2
86673	Mono_Isotopic_Weight	206.09027155
7649	TPSA	26.3
79856	Exact_Mass	166.062994177
5324289	Defined_Bond_Stereo_Count	0
20015	XLogP3-AA	4.6
92279	Undefined_Atom_Stereo_Count	0
122214878	Isotope_Atom_Count	0
107973	Mono_Isotopic_Weight	307.06095954
18779	Defined_Bond_Stereo_Count	0
33039	Mono_Isotopic_Weight	244.08593506
3359	Exact_Mass	666.36822473
23617198	Molecular_Weight	458.9
90592	Total_Formal_Charge	0
135456058	Mono_Isotopic_Weight	516.16787042
543882	Isotope_Atom_Count	0
2764838	Rotatable_Bond_Count	1
16212436	Mono_Isotopic_Weight	566.04954
318232	Undefined_Atom_Stereo_Count	0
8948	Mono_Isotopic_Weight	139.945464
62209	Non-hydrogen_Atom_Count	18
46552	Undefined_Atom_Stereo_Count	0
54758035	Exact_Mass	490.20386201
6262774	Total_Formal_Charge	0
9348	Structure_Complexity	246
44454	Undefined_Bond_Stereo_Count	0
129861481	Undefined_Bond_Stereo_Count	0
26747	Defined_Bond_Stereo_Count	0
16211948	Defined_Bond_Stereo_Count	0
29393	Defined_Bond_Stereo_Count	0
441411	Molecular_Weight	219.66
68289010	Mono_Isotopic_Weight	345.14504152
24838350	Molecular_Weight	1058.1
1966	Rotatable_Bond_Count	19
942	Undefined_Atom_Stereo_Count	1
81864	Non-hydrogen_Atom_Count	8
153722581	Non-hydrogen_Atom_Count	6
441325	Hydrogen_Bond_Acceptor_Count	4
11194316	Exact_Mass	116.047344113
5718	Structure_Complexity	327
65823	Tautomer_Count	1
11934	XLogP3	5.1
13195	Undefined_Bond_Stereo_Count	0
96004	Undefined_Atom_Stereo_Count	0
26058	Total_Formal_Charge	0
12933751	Hydrogen_Bond_Donor_Count	0
9848	Hydrogen_Bond_Acceptor_Count	2
3035905	Hydrogen_Bond_Acceptor_Count	2
4683	Defined_Atom_Stereo_Count	0
144402393	Isotope_Atom_Count	0
82718176	Structure_Complexity	92.5
5282350	Rotatable_Bond_Count	9
145458139	Defined_Bond_Stereo_Count	0
3725082	Non-hydrogen_Atom_Count	15
44368	Hydrogen_Bond_Acceptor_Count	0
57465876	Exact_Mass	98.060588879
65513	Hydrogen_Bond_Acceptor_Count	10
5282168	Rotatable_Bond_Count	10
74802	Covalent_Unit_Count	1
24027	XLogP3-AA	4.6
269842	Exact_Mass	281.11240398
452970	Rotatable_Bond_Count	2
94753	Mono_Isotopic_Weight	149.07014524
69046	Molecular_Weight	277.3
3745420	Covalent_Unit_Count	1
16049867	XLogP3-AA	4.4
77286	Covalent_Unit_Count	1
4369579	Molecular_Weight	239.30
58028426	Hydrogen_Bond_Acceptor_Count	3
44348	Rotatable_Bond_Count	1
18182	Undefined_Atom_Stereo_Count	0
15222	Exact_Mass	253.204179104
14868	Isotope_Atom_Count	0
11693901	Exact_Mass	114.031694049
149697	Mono_Isotopic_Weight	373.14264148
85843728	Hydrogen_Bond_Donor_Count	0
409453	Covalent_Unit_Count	1
24883	Molecular_Weight	110.97
137184495	Undefined_Bond_Stereo_Count	0
135565610	Mono_Isotopic_Weight	458.15901982
9840857	Defined_Bond_Stereo_Count	0
13397	Defined_Bond_Stereo_Count	0
135400456	Total_Formal_Charge	0
9911138	Hydrogen_Bond_Donor_Count	2
123516214	Molecular_Weight	102.13
1482	Rotatable_Bond_Count	4
11029769	Undefined_Atom_Stereo_Count	0
9939627	Structure_Complexity	836
11899	Defined_Bond_Stereo_Count	0
17811	Rotatable_Bond_Count	3
119196	Undefined_Bond_Stereo_Count	0
50896	Total_Formal_Charge	0
3781988	Structure_Complexity	609
439201	Exact_Mass	1059.56139820
15927	Covalent_Unit_Count	2
18170	TPSA	49.1
71587119	Hydrogen_Bond_Acceptor_Count	21
45073462	Rotatable_Bond_Count	4
12089	TPSA	75.4
236666	Isotope_Atom_Count	0
46906035	Defined_Bond_Stereo_Count	0
20581047	Rotatable_Bond_Count	0
66587017	Mono_Isotopic_Weight	458.0553388
16134956	Tautomer_Count	1000
9424	Rotatable_Bond_Count	4
53396306	Defined_Bond_Stereo_Count	0
44455730	Undefined_Atom_Stereo_Count	0
3356829	Defined_Bond_Stereo_Count	0
908617	Defined_Bond_Stereo_Count	0
75850	Tautomer_Count	2
1621	Isotope_Atom_Count	0
75690	Mono_Isotopic_Weight	254.13382109
15808	Exact_Mass	206.167065321
21973793	Mono_Isotopic_Weight	98.084398327
59966641	Mono_Isotopic_Weight	416.32904526
5281650	Defined_Atom_Stereo_Count	0
3032282	TPSA	108
14018	Covalent_Unit_Count	1
57504266	Mono_Isotopic_Weight	452.1363662
1888	Mono_Isotopic_Weight	352.22497412
428	Covalent_Unit_Count	1
50901	Total_Formal_Charge	0
79003661	Undefined_Bond_Stereo_Count	0
5284452	Defined_Bond_Stereo_Count	0
16627	Hydrogen_Bond_Acceptor_Count	2
441384	Defined_Atom_Stereo_Count	4
8011	Undefined_Atom_Stereo_Count	0
7108	Isotope_Atom_Count	0
30949	Undefined_Atom_Stereo_Count	0
6327594	TPSA	49.9
22561495	Molecular_Weight	223.31
44455701	Hydrogen_Bond_Acceptor_Count	9
534114	Molecular_Weight	98.10
144381	Non-hydrogen_Atom_Count	10
18831	Mono_Isotopic_Weight	145.0155228
155434	Molecular_Weight	400.5
40302	Hydrogen_Bond_Acceptor_Count	3
398646	Exact_Mass	226.21574685
68668153	Undefined_Atom_Stereo_Count	0
13329881	Undefined_Atom_Stereo_Count	2
91370278	Hydrogen_Bond_Donor_Count	0
6378649	Exact_Mass	156.115029749
5243	Exact_Mass	437.02390878
24434	Exact_Mass	100.95152435
11397521	Isotope_Atom_Count	0
73981	Defined_Atom_Stereo_Count	0
786	Non-hydrogen_Atom_Count	15
2723772	Structure_Complexity	119
75836	Exact_Mass	214.193280068
31842	Undefined_Bond_Stereo_Count	0
12302648	Total_Formal_Charge	0
5327686	Hydrogen_Bond_Donor_Count	1
26799	Non-hydrogen_Atom_Count	21
7111	Tautomer_Count	1
61631	TPSA	26.3
11412346	Exact_Mass	97.089149355
55241	Tautomer_Count	1
3991	Total_Formal_Charge	1
71363036	Structure_Complexity	358
594832	Exact_Mass	160.063662883
5459377	Defined_Bond_Stereo_Count	0
6997338	Covalent_Unit_Count	1
79000	Non-hydrogen_Atom_Count	8
10108847	Isotope_Atom_Count	0
20561708	Non-hydrogen_Atom_Count	7
123874	Mono_Isotopic_Weight	215.05587416
10909908	Covalent_Unit_Count	1
5362457	Mono_Isotopic_Weight	585.38180911
139085	XLogP3-AA	3.4
12342	Molecular_Weight	88.07
324379	Undefined_Bond_Stereo_Count	0
54331	Covalent_Unit_Count	2
5460044	Tautomer_Count	1
18405	TPSA	52.6
448042	Undefined_Atom_Stereo_Count	0
76959818	Undefined_Atom_Stereo_Count	0
55624	Structure_Complexity	581
196445	Exact_Mass	298.09872823
5353800	Hydrogen_Bond_Donor_Count	0
20483617	Hydrogen_Bond_Acceptor_Count	2
71450704	Total_Formal_Charge	0
40496	Structure_Complexity	272
25271790	Hydrogen_Bond_Acceptor_Count	5
5902	XLogP3-AA	3.9
36523	Isotope_Atom_Count	0
12291440	Undefined_Bond_Stereo_Count	0
71663	Mono_Isotopic_Weight	474.1562462
24456	Covalent_Unit_Count	5
2724144	Molecular_Weight	89.56
59841	Hydrogen_Bond_Acceptor_Count	6
16129809	Exact_Mass	1131.32532709
68675439	Structure_Complexity	74.6
447340	Covalent_Unit_Count	1
59002381	Defined_Bond_Stereo_Count	0
62098	Rotatable_Bond_Count	3
11095	Tautomer_Count	210
79029	Undefined_Bond_Stereo_Count	0
252139	Rotatable_Bond_Count	4
441979	TPSA	53.4
13307026	Defined_Atom_Stereo_Count	0
994360	Total_Formal_Charge	0
126963444	TPSA	356
2807	Rotatable_Bond_Count	10
9464	Undefined_Atom_Stereo_Count	0
5906	Isotope_Atom_Count	0
9009	Defined_Bond_Stereo_Count	0
90470403	Defined_Bond_Stereo_Count	0
71453559	Hydrogen_Bond_Acceptor_Count	5
10196758	Hydrogen_Bond_Acceptor_Count	11
3226	TPSA	9.2
12736014	TPSA	88.1
17754220	TPSA	132
112230	Hydrogen_Bond_Donor_Count	3
41088	Total_Formal_Charge	0
903168	Mono_Isotopic_Weight	329.0059467
23352408	Structure_Complexity	96.6
121540648	Undefined_Atom_Stereo_Count	0
10750	Structure_Complexity	232
9690109	Rotatable_Bond_Count	5
3000241	Non-hydrogen_Atom_Count	10
23676225	Structure_Complexity	682
53317992	Defined_Atom_Stereo_Count	0
39912	TPSA	37.3
9099	Non-hydrogen_Atom_Count	11
135398698	Hydrogen_Bond_Acceptor_Count	5
101622923	Defined_Atom_Stereo_Count	0
2061	Tautomer_Count	16
498158	Hydrogen_Bond_Donor_Count	4
138062	Undefined_Bond_Stereo_Count	0
181977	Exact_Mass	164.01095860
5284486	Mono_Isotopic_Weight	284.214015512
119830	Defined_Bond_Stereo_Count	0
130380	Undefined_Atom_Stereo_Count	0
44629653	Isotope_Atom_Count	0
317677	Covalent_Unit_Count	1
18048	Mono_Isotopic_Weight	178.135765193
66011	Covalent_Unit_Count	1
12341793	Structure_Complexity	365
102119819	Defined_Bond_Stereo_Count	0
5462507	Molecular_Weight	327.4
2734246	Defined_Atom_Stereo_Count	0
9870652	Defined_Atom_Stereo_Count	0
101205708	Rotatable_Bond_Count	62
5326566	Total_Formal_Charge	0
145644354	Covalent_Unit_Count	1
6972	Undefined_Atom_Stereo_Count	0
71541096	Non-hydrogen_Atom_Count	18
101567485	Non-hydrogen_Atom_Count	27
5470	Exact_Mass	312.208930132
8197	Exact_Mass	189.19534575
12344797	Non-hydrogen_Atom_Count	8
12285879	Hydrogen_Bond_Acceptor_Count	6
242082	Mono_Isotopic_Weight	98.036779430
70255	Defined_Bond_Stereo_Count	0
12255457	Undefined_Bond_Stereo_Count	0
11355437	Isotope_Atom_Count	0
57647726	Exact_Mass	324.183778013
21952893	Isotope_Atom_Count	0
67631	Isotope_Atom_Count	0
25875	Structure_Complexity	382
62872	XLogP3	7.3
64302	Hydrogen_Bond_Donor_Count	2
14782182	Undefined_Atom_Stereo_Count	0
21100	Mono_Isotopic_Weight	197.10519334
24848375	Structure_Complexity	466
20605384	Undefined_Bond_Stereo_Count	0
15566577	Total_Formal_Charge	0
518944	Rotatable_Bond_Count	1
45110509	Undefined_Bond_Stereo_Count	0
107169	Isotope_Atom_Count	0
5280880	Defined_Atom_Stereo_Count	3
69333782	Undefined_Bond_Stereo_Count	0
5756	Total_Formal_Charge	0
11789150	Total_Formal_Charge	0
14536538	Hydrogen_Bond_Acceptor_Count	4
9810773	Undefined_Bond_Stereo_Count	0
80428	Total_Formal_Charge	0
12777	Structure_Complexity	120
137207	Covalent_Unit_Count	1
88043361	TPSA	66.9
85296	Tautomer_Count	1
76968505	Covalent_Unit_Count	2
97368	Exact_Mass	147.05315777
123854	Hydrogen_Bond_Acceptor_Count	14
53881088	Non-hydrogen_Atom_Count	8
443942	Rotatable_Bond_Count	4
75282	Molecular_Weight	170.16
54077	TPSA	83.2
6506	Defined_Atom_Stereo_Count	0
7243	Structure_Complexity	62.9
11594328	TPSA	58.7
53316418	Hydrogen_Bond_Acceptor_Count	11
25295	Molecular_Weight	289.80
37461	Structure_Complexity	553
15530	Tautomer_Count	1
20626699	Rotatable_Bond_Count	2
13050	TPSA	46.5
17779323	Covalent_Unit_Count	1
24759314	Defined_Bond_Stereo_Count	0
423072	Isotope_Atom_Count	0
5043	Isotope_Atom_Count	0
12547675	Isotope_Atom_Count	0
18732	Exact_Mass	187.0530695
23729878	TPSA	72.6
10898660	Exact_Mass	101.084063974
21249654	Covalent_Unit_Count	2
4411	Defined_Bond_Stereo_Count	0
78422661	Isotope_Atom_Count	0
129730	Covalent_Unit_Count	1
170813	Rotatable_Bond_Count	6
699	Hydrogen_Bond_Acceptor_Count	5
6213	Exact_Mass	94.00885060
139192	Isotope_Atom_Count	0
5383	Structure_Complexity	241
100641	Total_Formal_Charge	0
91694113	Molecular_Weight	242.31
200424	Tautomer_Count	1
67631	Tautomer_Count	1
44392176	Rotatable_Bond_Count	10
9831659	Non-hydrogen_Atom_Count	52
5668	Tautomer_Count	1
23669619	Undefined_Bond_Stereo_Count	0
11455910	XLogP3-AA	7.8
10948203	Covalent_Unit_Count	1
4168142	Non-hydrogen_Atom_Count	54
25077405	Undefined_Atom_Stereo_Count	0
53420035	Rotatable_Bond_Count	0
8584	Defined_Bond_Stereo_Count	0
72978296	Exact_Mass	115.063328530
440046	Mono_Isotopic_Weight	113.047678466
78179	Exact_Mass	148.121177757
6540298	Structure_Complexity	641
53814234	Hydrogen_Bond_Donor_Count	1
11281011	Defined_Bond_Stereo_Count	0
833992	Rotatable_Bond_Count	2
31284	Tautomer_Count	1
5635	Isotope_Atom_Count	0
19974934	Hydrogen_Bond_Donor_Count	0
16129710	Structure_Complexity	3980
32756	Tautomer_Count	2
24901144	TPSA	119
79005	Hydrogen_Bond_Acceptor_Count	1
52660	Total_Formal_Charge	0
73950789	Defined_Bond_Stereo_Count	0
237546	Hydrogen_Bond_Donor_Count	1
135449518	Defined_Bond_Stereo_Count	0
5710148	Tautomer_Count	1
32176	Isotope_Atom_Count	0
20565024	Total_Formal_Charge	0
13355	Hydrogen_Bond_Donor_Count	2
16219102	Isotope_Atom_Count	0
44134885	Mono_Isotopic_Weight	373.06243472
101316977	Undefined_Bond_Stereo_Count	0
7949	Undefined_Atom_Stereo_Count	0
162990683	Molecular_Weight	665.7
47965	Covalent_Unit_Count	1
51003497	Non-hydrogen_Atom_Count	38
96066	Total_Formal_Charge	0
43601	Undefined_Atom_Stereo_Count	0
72950888	Hydrogen_Bond_Donor_Count	1
29420	Undefined_Bond_Stereo_Count	0
162148	Rotatable_Bond_Count	2
1794	Total_Formal_Charge	0
155882889	Undefined_Bond_Stereo_Count	0
5305	Exact_Mass	390.230728204
3209	Structure_Complexity	398
55291303	Hydrogen_Bond_Acceptor_Count	2
13244490	Defined_Atom_Stereo_Count	0
54377545	Molecular_Weight	99.13
16490	TPSA	94.8
135413539	Defined_Bond_Stereo_Count	2
6850789	Undefined_Atom_Stereo_Count	0
14717795	Molecular_Weight	1265.4
24642	Undefined_Atom_Stereo_Count	0
86122	Total_Formal_Charge	0
162639143	Covalent_Unit_Count	1
14690973	TPSA	26.3
61664	Tautomer_Count	3
443310	Undefined_Atom_Stereo_Count	7
25059	Hydrogen_Bond_Donor_Count	1
15703	Undefined_Bond_Stereo_Count	0
47660	Structure_Complexity	437
57255355	TPSA	32.8
941102	Exact_Mass	332.0927701
5413034	XLogP3-AA	2.4
13672886	Defined_Atom_Stereo_Count	0
11565240	Molecular_Weight	268.31
6044	Molecular_Weight	357.16
354520	Total_Formal_Charge	0
11062432	Total_Formal_Charge	0
57927	Non-hydrogen_Atom_Count	22
184841	XLogP3-AA	2.9
5805243	Undefined_Atom_Stereo_Count	0
69242	Hydrogen_Bond_Acceptor_Count	0
7068	Defined_Bond_Stereo_Count	0
4461	TPSA	211
66898	Exact_Mass	207.09291458
1212	Structure_Complexity	292
86380	Non-hydrogen_Atom_Count	14
12562	Structure_Complexity	274
439763	Mono_Isotopic_Weight	483.30184471
93961272	TPSA	57.2
413536	Structure_Complexity	281
92154	Non-hydrogen_Atom_Count	14
92942	Undefined_Bond_Stereo_Count	0
122077	Rotatable_Bond_Count	5
61185	Defined_Bond_Stereo_Count	0
16047027	Covalent_Unit_Count	2
26033	Hydrogen_Bond_Donor_Count	0
12221	Non-hydrogen_Atom_Count	4
84647703	Non-hydrogen_Atom_Count	8
101484762	Undefined_Atom_Stereo_Count	3
9989234	Hydrogen_Bond_Donor_Count	1
2734217	Total_Formal_Charge	0
10899	Hydrogen_Bond_Donor_Count	0
41209	Isotope_Atom_Count	0
126968609	Hydrogen_Bond_Acceptor_Count	5
66007	Rotatable_Bond_Count	5
18921	Mono_Isotopic_Weight	209.90002
24219262	Undefined_Atom_Stereo_Count	0
71456042	Undefined_Atom_Stereo_Count	0
153884978	Mono_Isotopic_Weight	113.058911855
2356	Structure_Complexity	458
254081	Defined_Bond_Stereo_Count	0
10780	Hydrogen_Bond_Donor_Count	0
26421	Non-hydrogen_Atom_Count	10
91280177	TPSA	0
12595141	Total_Formal_Charge	0
849349	Defined_Atom_Stereo_Count	0
25113635	Hydrogen_Bond_Acceptor_Count	22
71451390	Rotatable_Bond_Count	8
138148	Mono_Isotopic_Weight	100.088815002
9846339	Defined_Bond_Stereo_Count	0
13964915	Structure_Complexity	745
108059	Undefined_Atom_Stereo_Count	0
6059187	Defined_Atom_Stereo_Count	0
9804219	Structure_Complexity	672
62731702	TPSA	48.9
57174376	Structure_Complexity	97.5
10205	Rotatable_Bond_Count	0
11545464	Undefined_Atom_Stereo_Count	0
135398561	Non-hydrogen_Atom_Count	33
131750190	Molecular_Weight	1674.8
13240724	TPSA	9.2
45086609	Molecular_Weight	142.16
297691	Molecular_Weight	337.2
9837916	Hydrogen_Bond_Acceptor_Count	3
58550596	Defined_Bond_Stereo_Count	0
16058752	Defined_Bond_Stereo_Count	0
10582477	Mono_Isotopic_Weight	223.063328530
963715	Hydrogen_Bond_Donor_Count	1
249414	Rotatable_Bond_Count	2
15038	Total_Formal_Charge	0
16760595	Mono_Isotopic_Weight	262.95716241
57395308	Hydrogen_Bond_Donor_Count	4
68646	Mono_Isotopic_Weight	229.1233420
23783	Non-hydrogen_Atom_Count	24
60196335	Covalent_Unit_Count	2
12401	Tautomer_Count	1
12524131	Molecular_Weight	110.15
24848232	Exact_Mass	200.11091037
13568	XLogP3-AA	2.3
24987688	Mono_Isotopic_Weight	805.29141642
12614	Defined_Atom_Stereo_Count	0
49867936	Exact_Mass	516.0873659
5282168	Molecular_Weight	466.4
2724103	Isotope_Atom_Count	0
9062	Rotatable_Bond_Count	1
9549180	Defined_Atom_Stereo_Count	3
39976	XLogP3-AA	4.6
47387	Defined_Atom_Stereo_Count	0
66915701	Non-hydrogen_Atom_Count	15
156618073	Rotatable_Bond_Count	4
14705467	Isotope_Atom_Count	0
71336	Exact_Mass	436.26269704
65015	TPSA	78.7
19420003	Rotatable_Bond_Count	1
45609	Total_Formal_Charge	0
11524680	Exact_Mass	424.35526001
23695542	Hydrogen_Bond_Acceptor_Count	4
216225	TPSA	110
2583	Tautomer_Count	3
5460291	Structure_Complexity	104
439195	Structure_Complexity	117
11181836	Undefined_Bond_Stereo_Count	0
6427110	Covalent_Unit_Count	1
8018	Mono_Isotopic_Weight	75.068413911
129016768	Hydrogen_Bond_Acceptor_Count	2
129834562	Isotope_Atom_Count	0
19997	Defined_Atom_Stereo_Count	0
12760727	Isotope_Atom_Count	0
160889158	Mono_Isotopic_Weight	113.058911855
53432	Hydrogen_Bond_Acceptor_Count	1
440918	Defined_Bond_Stereo_Count	0
4040	Isotope_Atom_Count	0
162918	Rotatable_Bond_Count	2
71752170	Defined_Bond_Stereo_Count	0
80972	Covalent_Unit_Count	1
449575	Defined_Atom_Stereo_Count	5
90408860	Undefined_Atom_Stereo_Count	0
11632510	Hydrogen_Bond_Acceptor_Count	5
11954236	Molecular_Weight	882.8
72200940	Structure_Complexity	745
132274234	Exact_Mass	1608.51510
41515	Hydrogen_Bond_Donor_Count	0
535479	Isotope_Atom_Count	0
44590517	Non-hydrogen_Atom_Count	34
846	Total_Formal_Charge	0
15886	TPSA	125
20936	Undefined_Bond_Stereo_Count	0
40146	Non-hydrogen_Atom_Count	18
11622593	Structure_Complexity	280
70008	Defined_Atom_Stereo_Count	0
136843	Hydrogen_Bond_Acceptor_Count	2
9049	Molecular_Weight	251.71
5281071	Hydrogen_Bond_Donor_Count	1
16421	Rotatable_Bond_Count	5
278600	Non-hydrogen_Atom_Count	7
108835	Exact_Mass	157.07389321
1910825	Exact_Mass	369.19400834
221122	Undefined_Atom_Stereo_Count	0
1009	Mono_Isotopic_Weight	720.01216123
56665393	Defined_Atom_Stereo_Count	0
23729877	Hydrogen_Bond_Donor_Count	2
90087	Undefined_Atom_Stereo_Count	0
46127	Non-hydrogen_Atom_Count	21
3781	Exact_Mass	285.12996879
367985	Mono_Isotopic_Weight	257.07351655
6427102	Molecular_Weight	196.29
57541268	Mono_Isotopic_Weight	391.20082506
25954	Defined_Bond_Stereo_Count	0
447029	Undefined_Bond_Stereo_Count	0
9793705	XLogP3-AA	0.5
11725766	Hydrogen_Bond_Acceptor_Count	3
20511	Isotope_Atom_Count	0
121710	Non-hydrogen_Atom_Count	8
1728	Molecular_Weight	344.4
140291701	TPSA	63.3
54595803	Defined_Bond_Stereo_Count	0
535504	XLogP3-AA	0.2
4173	Undefined_Bond_Stereo_Count	0
62553	Exact_Mass	178.099379685
4479912	Hydrogen_Bond_Acceptor_Count	13
105166	Mono_Isotopic_Weight	194.964794
49091	Structure_Complexity	203
253881	Tautomer_Count	1
91809622	Rotatable_Bond_Count	10
83335	Rotatable_Bond_Count	2
57784	Hydrogen_Bond_Acceptor_Count	6
21497	Exact_Mass	157.04221642
21895383	TPSA	54.6
6948	Exact_Mass	499.7267
115163	Undefined_Bond_Stereo_Count	0
3327	Mono_Isotopic_Weight	222.198365449
28615	Structure_Complexity	292
53394153	Structure_Complexity	552
24737	Non-hydrogen_Atom_Count	25
6433345	Covalent_Unit_Count	1
440784	Non-hydrogen_Atom_Count	43
72734332	Covalent_Unit_Count	1
2929	Undefined_Atom_Stereo_Count	0
146157141	Defined_Atom_Stereo_Count	1
146646427	Hydrogen_Bond_Donor_Count	3
744	Defined_Atom_Stereo_Count	0
92319	Structure_Complexity	284
411828	TPSA	12.5
1283	Undefined_Bond_Stereo_Count	0
125127453	Covalent_Unit_Count	1
24978553	Non-hydrogen_Atom_Count	57
69319	TPSA	14.4
16220109	Mono_Isotopic_Weight	182.130679813
10771356	TPSA	180
115017	Exact_Mass	152.062600255
114681	Structure_Complexity	105
73755067	Mono_Isotopic_Weight	376.07706310
25142172	Hydrogen_Bond_Acceptor_Count	3
90915228	Undefined_Bond_Stereo_Count	0
6328163	Mono_Isotopic_Weight	500.0545926
8315	Hydrogen_Bond_Acceptor_Count	2
14946	Defined_Atom_Stereo_Count	2
7678	Covalent_Unit_Count	1
12688299	Defined_Bond_Stereo_Count	0
73154880	Exact_Mass	364.041132
87833	TPSA	55.1
216258	Defined_Bond_Stereo_Count	0
135625230	Hydrogen_Bond_Donor_Count	10
11115032	Defined_Bond_Stereo_Count	0
74183	Hydrogen_Bond_Acceptor_Count	2
153643637	Exact_Mass	99.068413911
120741	Rotatable_Bond_Count	5
25094902	XLogP3-AA	2.4
9810771	Total_Formal_Charge	0
21275073	Defined_Bond_Stereo_Count	0
270299	Total_Formal_Charge	0
21872023	Hydrogen_Bond_Donor_Count	6
5361918	Molecular_Weight	356.4
34328	TPSA	64.3
18398	Exact_Mass	114.068079557
60196385	Hydrogen_Bond_Donor_Count	0
12990	TPSA	17.1
7826	Non-hydrogen_Atom_Count	10
5283742	Molecular_Weight	416.6
49597	Molecular_Weight	311.76
125462113	Total_Formal_Charge	0
439811	Hydrogen_Bond_Donor_Count	3
19829703	Structure_Complexity	78.9
17816	Covalent_Unit_Count	1
3440	Hydrogen_Bond_Acceptor_Count	7
96457	Isotope_Atom_Count	0
54493752	Molecular_Weight	93.13
71309503	Hydrogen_Bond_Acceptor_Count	6
17241	Undefined_Bond_Stereo_Count	0
9417	Hydrogen_Bond_Acceptor_Count	4
16130571	Tautomer_Count	1001
11409972	Rotatable_Bond_Count	8
106823823	Defined_Bond_Stereo_Count	0
59680984	Undefined_Atom_Stereo_Count	2
87220078	Structure_Complexity	121
398731	Defined_Bond_Stereo_Count	0
118	TPSA	43.1
22020761	Exact_Mass	116.083729621
15709803	Covalent_Unit_Count	1
15565266	Exact_Mass	111.043261792
94543	Covalent_Unit_Count	1
62327	Tautomer_Count	5
24896135	Undefined_Bond_Stereo_Count	0
163050682	Exact_Mass	284.16237386
54288465	Defined_Atom_Stereo_Count	0
7304	Defined_Bond_Stereo_Count	0
792027	Tautomer_Count	1
5327073	Structure_Complexity	575
118701518	Isotope_Atom_Count	0
25008941	Total_Formal_Charge	0
12213229	XLogP3-AA	3
189562	Undefined_Bond_Stereo_Count	0
62583	Isotope_Atom_Count	0
58190643	Defined_Atom_Stereo_Count	0
12830793	Rotatable_Bond_Count	1
20141332	Isotope_Atom_Count	0
101626738	TPSA	146
13315542	XLogP3-AA	3.1
44183	Defined_Atom_Stereo_Count	0
652876	Molecular_Weight	313.3
91469	Undefined_Atom_Stereo_Count	0
7146288	XLogP3-AA	2.7
19847	Defined_Atom_Stereo_Count	0
135398654	Molecular_Weight	241.25
2156	Hydrogen_Bond_Donor_Count	1
68364859	Undefined_Atom_Stereo_Count	0
88273595	Molecular_Weight	116.12
15234	TPSA	43.4
101921	Defined_Bond_Stereo_Count	0
61810	Molecular_Weight	188.27
16051954	TPSA	531
90397060	Mono_Isotopic_Weight	1201.84136802
6999941	XLogP3-AA	2.2
5282948	Non-hydrogen_Atom_Count	21
15109	Defined_Bond_Stereo_Count	0
10217663	TPSA	77
7812	Hydrogen_Bond_Donor_Count	1
10041	Hydrogen_Bond_Acceptor_Count	0
3461	TPSA	108
53324128	TPSA	78.3
20324725	Defined_Bond_Stereo_Count	0
79656	Defined_Bond_Stereo_Count	0
70662473	Undefined_Bond_Stereo_Count	0
443933	Defined_Bond_Stereo_Count	0
5011	Defined_Atom_Stereo_Count	0
87962	Molecular_Weight	205.30
3090	Defined_Atom_Stereo_Count	0
23552407	Defined_Atom_Stereo_Count	0
641768	Hydrogen_Bond_Donor_Count	1
14086017	Defined_Atom_Stereo_Count	0
448126	Isotope_Atom_Count	0
8961	Tautomer_Count	6
137264	Covalent_Unit_Count	1
6699	Rotatable_Bond_Count	4
77077	Molecular_Weight	176.66
69007	Mono_Isotopic_Weight	304.11581759
11480819	Hydrogen_Bond_Acceptor_Count	6
11476771	Hydrogen_Bond_Donor_Count	2
98279	Mono_Isotopic_Weight	98.073164938
556684	Hydrogen_Bond_Acceptor_Count	3
11102	Non-hydrogen_Atom_Count	38
5351548	Undefined_Bond_Stereo_Count	0
12486	Covalent_Unit_Count	1
68157	Tautomer_Count	1
7474	Exact_Mass	156.9930561
129653817	Exact_Mass	134.080169959
58512812	Rotatable_Bond_Count	0
10297818	XLogP3-AA	4.3
8229	Isotope_Atom_Count	0
12210504	Defined_Atom_Stereo_Count	0
44526	Hydrogen_Bond_Donor_Count	0
8271	Rotatable_Bond_Count	2
16769	Total_Formal_Charge	0
70590037	Covalent_Unit_Count	4
778	Structure_Complexity	86.1
92155	Isotope_Atom_Count	0
135743681	Rotatable_Bond_Count	2
37464	Total_Formal_Charge	0
3613359	Rotatable_Bond_Count	0
24848343	Non-hydrogen_Atom_Count	16
11030410	Hydrogen_Bond_Acceptor_Count	6
86501	Undefined_Atom_Stereo_Count	1
16217359	Defined_Atom_Stereo_Count	0
23749	TPSA	140
133741	TPSA	52.6
783	Defined_Bond_Stereo_Count	0
15202944	Molecular_Weight	73.09
88077632	Hydrogen_Bond_Acceptor_Count	1
289031	TPSA	104
5459845	Structure_Complexity	191
6194	Hydrogen_Bond_Acceptor_Count	3
24883	Defined_Bond_Stereo_Count	0
23644194	Mono_Isotopic_Weight	730.46291296
169536	Non-hydrogen_Atom_Count	18
82650946	Defined_Atom_Stereo_Count	0
56593143	Rotatable_Bond_Count	7
54569511	Undefined_Atom_Stereo_Count	1
3269	Structure_Complexity	411
18175	Defined_Atom_Stereo_Count	0
2144	TPSA	142
12702016	Rotatable_Bond_Count	2
24848330	Total_Formal_Charge	1
10357919	Structure_Complexity	390
11006945	Defined_Bond_Stereo_Count	0
5364579	Exact_Mass	98.073164938
64647	Covalent_Unit_Count	2
9952773	Mono_Isotopic_Weight	399.14053348
5355863	Rotatable_Bond_Count	6
13082553	TPSA	18.5
661938	Exact_Mass	424.17983545
3746	Total_Formal_Charge	1
33294	Undefined_Atom_Stereo_Count	0
11499271	Isotope_Atom_Count	0
49798415	Isotope_Atom_Count	0
146159661	TPSA	23.5
178438	Undefined_Atom_Stereo_Count	0
632332	Exact_Mass	361.1345753
2596914	Exact_Mass	372.11437830
11105310	Defined_Bond_Stereo_Count	0
390798	Covalent_Unit_Count	1
84605	Structure_Complexity	129
161105	Defined_Bond_Stereo_Count	0
74839	Molecular_Weight	207.23
16399351	Undefined_Atom_Stereo_Count	4
65188	Defined_Atom_Stereo_Count	0
9837243	Tautomer_Count	6
5355457	Undefined_Atom_Stereo_Count	0
102059894	Defined_Bond_Stereo_Count	1
12515628	Defined_Bond_Stereo_Count	0
123358	Structure_Complexity	208
19425	Covalent_Unit_Count	1
23565	Molecular_Weight	403.5
34192	TPSA	45.6
12747510	Covalent_Unit_Count	1
57236595	TPSA	46.5
2818146	Defined_Bond_Stereo_Count	0
54192929	Total_Formal_Charge	0
10820493	Undefined_Atom_Stereo_Count	0
23180086	Hydrogen_Bond_Acceptor_Count	3
11969781	Molecular_Weight	643.6
23702	Total_Formal_Charge	0
15327061	TPSA	40.5
393405	Defined_Bond_Stereo_Count	0
8809	Undefined_Bond_Stereo_Count	0
136889	Defined_Atom_Stereo_Count	0
25749227	Undefined_Bond_Stereo_Count	0
71829	Mono_Isotopic_Weight	382.1037253
3566445	Mono_Isotopic_Weight	94.98029013
11000	Total_Formal_Charge	0
12735404	TPSA	49.3
3035	Defined_Bond_Stereo_Count	0
135409642	XLogP3-AA	4.9
12720825	Covalent_Unit_Count	1
528630	Mono_Isotopic_Weight	115.099714038
10709065	Covalent_Unit_Count	1
970341	Non-hydrogen_Atom_Count	23
159812	Hydrogen_Bond_Donor_Count	4
30177	Total_Formal_Charge	0
24963	Tautomer_Count	1
13158036	Exact_Mass	97.089149355
137319715	Hydrogen_Bond_Acceptor_Count	2
559740	Tautomer_Count	1
816864	Rotatable_Bond_Count	7
6539297	Hydrogen_Bond_Acceptor_Count	8
107775	Defined_Atom_Stereo_Count	3
16685262	Exact_Mass	57.9999281
16627	TPSA	26.3
138125	Undefined_Bond_Stereo_Count	0
2724552	Undefined_Atom_Stereo_Count	0
22833331	Undefined_Atom_Stereo_Count	1
38768	Isotope_Atom_Count	0
247573	Rotatable_Bond_Count	2
89453139	Molecular_Weight	110.11
6034	Undefined_Bond_Stereo_Count	0
91996	Hydrogen_Bond_Donor_Count	1
14577976	TPSA	51
168963	Isotope_Atom_Count	0
53935056	Exact_Mass	102.115698455
15529	Hydrogen_Bond_Donor_Count	1
16050641	TPSA	77.2
142765305	Mono_Isotopic_Weight	109.052763847
92043261	Mono_Isotopic_Weight	215.97756350
127382	Isotope_Atom_Count	0
11073348	Hydrogen_Bond_Donor_Count	2
26690	Defined_Bond_Stereo_Count	0
71584162	Defined_Atom_Stereo_Count	0
13810	Non-hydrogen_Atom_Count	38
61124	Defined_Bond_Stereo_Count	0
57394598	Covalent_Unit_Count	1
4914117	Molecular_Weight	258.30
10942665	Hydrogen_Bond_Donor_Count	0
135974	TPSA	0
63855	Covalent_Unit_Count	1
9248	Mono_Isotopic_Weight	182.167065321
26877	Structure_Complexity	835
53348188	Rotatable_Bond_Count	15
83079	Non-hydrogen_Atom_Count	20
7	Defined_Bond_Stereo_Count	0
5139	Mono_Isotopic_Weight	104.04081944
25015692	Hydrogen_Bond_Acceptor_Count	9
3033968	Hydrogen_Bond_Donor_Count	1
90876965	Mono_Isotopic_Weight	112.088815002
21285	Hydrogen_Bond_Donor_Count	1
135409347	Total_Formal_Charge	0
14119	Defined_Bond_Stereo_Count	0
4888	Tautomer_Count	1
201618	Undefined_Atom_Stereo_Count	0
21622656	Hydrogen_Bond_Donor_Count	2
19868	Isotope_Atom_Count	0
18212	Structure_Complexity	166
10419146	Molecular_Weight	112.17
22382373	TPSA	26.3
44395101	Covalent_Unit_Count	1
103940	Exact_Mass	154.135765193
57396607	Defined_Bond_Stereo_Count	0
14975831	Exact_Mass	75.068413911
69	Undefined_Atom_Stereo_Count	0
44259	Hydrogen_Bond_Donor_Count	2
84834	Exact_Mass	124.01941529
1755	Total_Formal_Charge	0
3016390	Tautomer_Count	1
643	Molecular_Weight	214.26
11548000	Defined_Atom_Stereo_Count	0
72200930	Defined_Bond_Stereo_Count	0
65844	Rotatable_Bond_Count	1
75057	Undefined_Atom_Stereo_Count	0
194953	Exact_Mass	202.09535693
134692189	Undefined_Atom_Stereo_Count	6
319771	TPSA	41.1
79724	Undefined_Atom_Stereo_Count	0
7471	Hydrogen_Bond_Donor_Count	0
46325	XLogP3-AA	2.2
10628031	Structure_Complexity	1300
55445	Structure_Complexity	207
131698851	Covalent_Unit_Count	1
83045	Isotope_Atom_Count	0
19507	Mono_Isotopic_Weight	125.084063974
57397762	Mono_Isotopic_Weight	482.21403277
11252	Defined_Atom_Stereo_Count	0
44119936	Undefined_Atom_Stereo_Count	0
4025	Undefined_Atom_Stereo_Count	2
18632	TPSA	12.5
123859265	Isotope_Atom_Count	0
125409	Defined_Atom_Stereo_Count	4
61059	Mono_Isotopic_Weight	210.00205114
60156	Molecular_Weight	303.8
7464	XLogP3	2.2
20270668	Total_Formal_Charge	0
19588	Molecular_Weight	207.27
6777	Hydrogen_Bond_Donor_Count	0
10931	Isotope_Atom_Count	0
5282547	Isotope_Atom_Count	0
3082496	Non-hydrogen_Atom_Count	20
18952630	Defined_Atom_Stereo_Count	0
446925	Defined_Bond_Stereo_Count	11
15790	TPSA	27.6
13367	XLogP3-AA	1.2
21719984	Exact_Mass	116.083729621
9325	Undefined_Atom_Stereo_Count	3
5353584	Defined_Atom_Stereo_Count	0
12510709	Rotatable_Bond_Count	4
890718	Total_Formal_Charge	0
10909500	Defined_Bond_Stereo_Count	0
62478	Non-hydrogen_Atom_Count	11
56675699	XLogP3-AA	3.7
18950	Isotope_Atom_Count	0
94220	Hydrogen_Bond_Acceptor_Count	2
36613	Tautomer_Count	1
14265921	Total_Formal_Charge	0
2168	Covalent_Unit_Count	1
12277679	Isotope_Atom_Count	0
131741206	Undefined_Bond_Stereo_Count	0
71661882	Defined_Bond_Stereo_Count	0
19022	Defined_Atom_Stereo_Count	0
78747	Molecular_Weight	95.10
88564905	Structure_Complexity	83.8
3392	Undefined_Atom_Stereo_Count	9
3544	Hydrogen_Bond_Acceptor_Count	5
6539029	Mono_Isotopic_Weight	465.19469430
63826	Undefined_Atom_Stereo_Count	0
558148	Exact_Mass	98.084398327
89590	Molecular_Weight	164.20
6440176	Undefined_Bond_Stereo_Count	0
5839	Undefined_Bond_Stereo_Count	0
16129878	Mono_Isotopic_Weight	1700.1729741
24012	Defined_Atom_Stereo_Count	0
89908	Total_Formal_Charge	0
10027822	Molecular_Weight	473.5
339455	Structure_Complexity	542
11513733	Exact_Mass	82.016712692
14462	Exact_Mass	128.156500638
17617	Structure_Complexity	181
139088080	Non-hydrogen_Atom_Count	21
11344362	Isotope_Atom_Count	1
64	Hydrogen_Bond_Donor_Count	2
2764876	TPSA	63.4
263086	Covalent_Unit_Count	1
100516	Covalent_Unit_Count	1
84393	Mono_Isotopic_Weight	205.9723768
60752	Total_Formal_Charge	0
3290	Exact_Mass	312.16601995
54496446	Defined_Atom_Stereo_Count	0
12873460	XLogP3-AA	1
54584797	Exact_Mass	300.16379146
15485370	Isotope_Atom_Count	0
9934032	Hydrogen_Bond_Acceptor_Count	7
60196414	Undefined_Atom_Stereo_Count	2
348256	Hydrogen_Bond_Donor_Count	0
120393	Defined_Bond_Stereo_Count	0
90997437	Exact_Mass	416.32904526
135398645	Defined_Bond_Stereo_Count	0
1910825	Undefined_Atom_Stereo_Count	0
66764350	Mono_Isotopic_Weight	164.03859095
4302	Mono_Isotopic_Weight	233.03242232
15980171	Hydrogen_Bond_Acceptor_Count	7
21484	Hydrogen_Bond_Donor_Count	1
68365444	Hydrogen_Bond_Acceptor_Count	2
138991760	Covalent_Unit_Count	1
102505711	Mono_Isotopic_Weight	384.0699267
134688154	Isotope_Atom_Count	0
5015	Rotatable_Bond_Count	6
3034022	Mono_Isotopic_Weight	770.26687344
565106	Isotope_Atom_Count	0
158691271	Hydrogen_Bond_Acceptor_Count	3
71397	Undefined_Bond_Stereo_Count	0
57391458	Defined_Bond_Stereo_Count	0
31134	Structure_Complexity	405
4630917	Exact_Mass	245.177964357
12078	Undefined_Atom_Stereo_Count	0
236745	Covalent_Unit_Count	1
443716	Undefined_Atom_Stereo_Count	0
2568	Defined_Atom_Stereo_Count	0
3532561	Undefined_Bond_Stereo_Count	0
71342	Hydrogen_Bond_Acceptor_Count	4
2423	Total_Formal_Charge	0
54071	Undefined_Bond_Stereo_Count	0
12107	Undefined_Bond_Stereo_Count	0
88898	Rotatable_Bond_Count	0
13981	Defined_Atom_Stereo_Count	0
6442842	Non-hydrogen_Atom_Count	29
513886	TPSA	89.8
24743471	Rotatable_Bond_Count	3
12787245	Molecular_Weight	97.12
11662332	XLogP3-AA	2.6
894295	Defined_Atom_Stereo_Count	1
445461	Non-hydrogen_Atom_Count	61
5342002	Molecular_Weight	285.8
6913	Total_Formal_Charge	0
16406	Rotatable_Bond_Count	5
21201338	Defined_Bond_Stereo_Count	0
23476	Covalent_Unit_Count	4
1234	Hydrogen_Bond_Donor_Count	0
19375004	Total_Formal_Charge	0
6419765	Hydrogen_Bond_Acceptor_Count	3
441364	Covalent_Unit_Count	2
162344793	Hydrogen_Bond_Acceptor_Count	9
14890212	Defined_Atom_Stereo_Count	0
54475034	Covalent_Unit_Count	1
16832	Defined_Bond_Stereo_Count	0
6437356	Undefined_Atom_Stereo_Count	1
6435507	Covalent_Unit_Count	1
72068	Undefined_Atom_Stereo_Count	0
160435	Undefined_Bond_Stereo_Count	0
604767	Defined_Atom_Stereo_Count	0
342238	Isotope_Atom_Count	0
87503479	Undefined_Bond_Stereo_Count	0
71587288	TPSA	99
37249	Non-hydrogen_Atom_Count	18
10866290	Molecular_Weight	111.18
140532060	Undefined_Atom_Stereo_Count	0
61892972	Defined_Bond_Stereo_Count	0
6457	TPSA	20.2
17014	Undefined_Atom_Stereo_Count	0
441371	Structure_Complexity	1550
24451	Hydrogen_Bond_Donor_Count	2
135437	Undefined_Atom_Stereo_Count	0
3957	XLogP3	5.2
51256	Non-hydrogen_Atom_Count	21
70291	Structure_Complexity	293
6276	Hydrogen_Bond_Acceptor_Count	1
22081028	Isotope_Atom_Count	0
105000	Mono_Isotopic_Weight	301.17902698
10288191	Tautomer_Count	5
87243	Mono_Isotopic_Weight	210.05282342
76191	Non-hydrogen_Atom_Count	11
9815578	Exact_Mass	199.074561919
2733352	Exact_Mass	150.0086696
5464344	Defined_Atom_Stereo_Count	3
73001175	Mono_Isotopic_Weight	99.104799419
1482928	Total_Formal_Charge	0
11442891	Structure_Complexity	731
54697325	Hydrogen_Bond_Acceptor_Count	10
89580	Molecular_Weight	88.11
10920463	Isotope_Atom_Count	0
13460453	Undefined_Atom_Stereo_Count	2
57390699	Undefined_Atom_Stereo_Count	0
136750	Rotatable_Bond_Count	1
9898801	Defined_Bond_Stereo_Count	0
25006688	Defined_Bond_Stereo_Count	0
9520	Undefined_Bond_Stereo_Count	0
135565932	Isotope_Atom_Count	0
14528850	Hydrogen_Bond_Donor_Count	1
44838	Hydrogen_Bond_Donor_Count	0
16767478	Mono_Isotopic_Weight	109.063997236
2132	Rotatable_Bond_Count	3
20067437	Covalent_Unit_Count	1
3224	Mono_Isotopic_Weight	403.816881
667498	Defined_Bond_Stereo_Count	0
66558601	Structure_Complexity	651
518818	Total_Formal_Charge	0
11623676	Hydrogen_Bond_Acceptor_Count	2
10964417	XLogP3-AA	1
17835489	Rotatable_Bond_Count	1
6918498	Structure_Complexity	503
27854	Hydrogen_Bond_Donor_Count	0
15709948	Molecular_Weight	437.70
19338	XLogP3-AA	2.6
135407408	Defined_Bond_Stereo_Count	0
3036746	Total_Formal_Charge	0
137332389	Mono_Isotopic_Weight	1354.567399
351	Molecular_Weight	483.5
80426	Isotope_Atom_Count	0
13076	Mono_Isotopic_Weight	206.109550447
6940	Hydrogen_Bond_Donor_Count	1
3343	Mono_Isotopic_Weight	303.14705815
53477794	Covalent_Unit_Count	1
9826451	Covalent_Unit_Count	1
11430	Molecular_Weight	138.205
57345410	Total_Formal_Charge	0
3081304	Exact_Mass	404.9865439
66304	Exact_Mass	154.054751968
9098	Mono_Isotopic_Weight	172.09218630
60778	Rotatable_Bond_Count	7
60575	Exact_Mass	370.20565627
53315103	Undefined_Bond_Stereo_Count	0
449093	Rotatable_Bond_Count	4
158785912	Undefined_Atom_Stereo_Count	1
25271818	Molecular_Weight	337.4
10442	Non-hydrogen_Atom_Count	5
135460621	TPSA	146
5372405	XLogP3-AA	2.8
11962267	Non-hydrogen_Atom_Count	7
92546	Mono_Isotopic_Weight	224.07970687
40523471	Defined_Bond_Stereo_Count	0
2336530	Total_Formal_Charge	0
80971	Exact_Mass	173.047678466
793	Defined_Bond_Stereo_Count	0
46783786	Mono_Isotopic_Weight	458.0638210
2017	Structure_Complexity	312
88077632	Mono_Isotopic_Weight	155.142041939
10931381	Defined_Bond_Stereo_Count	0
442070	Rotatable_Bond_Count	1
5284554	Hydrogen_Bond_Donor_Count	5
38963	Covalent_Unit_Count	2
5311243	Hydrogen_Bond_Donor_Count	3
9915	Hydrogen_Bond_Acceptor_Count	2
2303651	XLogP3-AA	0.5
44623071	Rotatable_Bond_Count	0
16049450	Molecular_Weight	482.1
30751	Undefined_Bond_Stereo_Count	0
57392505	Isotope_Atom_Count	0
15636950	Exact_Mass	100.100048391
14818447	Defined_Atom_Stereo_Count	0
8407	Undefined_Bond_Stereo_Count	0
3890	Mono_Isotopic_Weight	432.28757437
8579	TPSA	49.3
31250	Defined_Bond_Stereo_Count	0
54693768	Structure_Complexity	618
70652	Rotatable_Bond_Count	4
70682213	Isotope_Atom_Count	0
66082	Tautomer_Count	3
44521016	Defined_Atom_Stereo_Count	0
6919026	Defined_Atom_Stereo_Count	1
5237030	TPSA	80.3
17184	Defined_Bond_Stereo_Count	0
4903	Undefined_Bond_Stereo_Count	0
22624677	Defined_Atom_Stereo_Count	0
24182786	Non-hydrogen_Atom_Count	23
14063315	Undefined_Bond_Stereo_Count	0
54466147	Defined_Atom_Stereo_Count	0
3744660	Structure_Complexity	220
611834	Rotatable_Bond_Count	1
12544003	Molecular_Weight	100.16
75675	Rotatable_Bond_Count	7
134564038	Mono_Isotopic_Weight	109.063997236
89055	Isotope_Atom_Count	0
15050	Molecular_Weight	120.15
55423	Hydrogen_Bond_Donor_Count	1
751341	Molecular_Weight	301.29
2733	Molecular_Weight	169.56
14791281	Covalent_Unit_Count	1
71533242	Structure_Complexity	753
88402	Defined_Atom_Stereo_Count	0
60196293	Total_Formal_Charge	0
11344909	Isotope_Atom_Count	0
441243	Rotatable_Bond_Count	13
100930	Exact_Mass	140.04081944
14975831	Structure_Complexity	16.4
12413939	Undefined_Bond_Stereo_Count	0
18626413	Defined_Bond_Stereo_Count	0
259381	Total_Formal_Charge	0
5310991	Mono_Isotopic_Weight	558.27298694
5491295	Undefined_Bond_Stereo_Count	0
10336	Rotatable_Bond_Count	1
87280891	Isotope_Atom_Count	0
9817917	Undefined_Bond_Stereo_Count	0
8711	Covalent_Unit_Count	1
201652	Tautomer_Count	1
509147	Mono_Isotopic_Weight	296.12214376
932	Molecular_Weight	272.25
22096	Exact_Mass	242.04265265
5282403	Hydrogen_Bond_Donor_Count	2
722163	Defined_Bond_Stereo_Count	0
9802545	Covalent_Unit_Count	1
11309487	Structure_Complexity	127
517072	Non-hydrogen_Atom_Count	5
10887866	Total_Formal_Charge	0
6435808	Non-hydrogen_Atom_Count	18
439782	Undefined_Atom_Stereo_Count	1
7533	Exact_Mass	179.06161445
295275	Defined_Bond_Stereo_Count	0
10307849	XLogP3-AA	0.8
83669972	Rotatable_Bond_Count	0
10675	Hydrogen_Bond_Acceptor_Count	4
543855	Hydrogen_Bond_Donor_Count	1
10657742	Structure_Complexity	315
9846588	Isotope_Atom_Count	0
139759	Defined_Bond_Stereo_Count	0
83403	Molecular_Weight	200.23
12001	Exact_Mass	132.05349212
23675747	Structure_Complexity	454
44310436	Covalent_Unit_Count	1
10718	Hydrogen_Bond_Donor_Count	3
12663409	Structure_Complexity	70.1
99132	Structure_Complexity	436
31779	TPSA	101
29215	Isotope_Atom_Count	0
17751002	Hydrogen_Bond_Acceptor_Count	5
11492	Exact_Mass	137.084063974
51136438	Non-hydrogen_Atom_Count	14
23662139	Exact_Mass	138.02928836
56037	Rotatable_Bond_Count	10
134692352	Exact_Mass	453.22637110
1353	Hydrogen_Bond_Acceptor_Count	3
23677058	Hydrogen_Bond_Donor_Count	1
137018	Tautomer_Count	1
24180719	Rotatable_Bond_Count	6
8901	XLogP3-AA	1.2
419293	Hydrogen_Bond_Acceptor_Count	2
443311	Structure_Complexity	680
524211	Structure_Complexity	149
2723706	Structure_Complexity	173
134694634	Non-hydrogen_Atom_Count	44
11634725	Molecular_Weight	500.3
2111	TPSA	88.6
4597	Defined_Bond_Stereo_Count	0
10042953	Total_Formal_Charge	0
156465	Tautomer_Count	423
23057	Total_Formal_Charge	0
636398	XLogP3	4.2
123744867	Hydrogen_Bond_Acceptor_Count	1
53380818	Undefined_Atom_Stereo_Count	0
69017	Defined_Bond_Stereo_Count	0
11500877	Defined_Atom_Stereo_Count	0
5380	Isotope_Atom_Count	0
79324217	Exact_Mass	99.104799419
2852	Non-hydrogen_Atom_Count	42
24826799	Molecular_Weight	532.6
69332464	Undefined_Bond_Stereo_Count	0
61868	Hydrogen_Bond_Acceptor_Count	2
12406682	Hydrogen_Bond_Donor_Count	0
19349	Defined_Atom_Stereo_Count	0
6651	Defined_Bond_Stereo_Count	0
54459	TPSA	42.8
9330	XLogP3	2.6
24397	Undefined_Bond_Stereo_Count	0
45410	Rotatable_Bond_Count	12
23684696	Defined_Atom_Stereo_Count	0
23706212	Defined_Bond_Stereo_Count	0
88424	Hydrogen_Bond_Donor_Count	0
83167	TPSA	132
37463	Structure_Complexity	84.4
3482402	Covalent_Unit_Count	1
61191	Covalent_Unit_Count	1
154170332	Undefined_Bond_Stereo_Count	0
46204763	Total_Formal_Charge	0
122767	Undefined_Atom_Stereo_Count	0
2387	XLogP3-AA	1
73013349	Total_Formal_Charge	0
71850	Rotatable_Bond_Count	4
45116605	Mono_Isotopic_Weight	100.100048391
60196321	Defined_Bond_Stereo_Count	0
461279	Defined_Bond_Stereo_Count	0
10772937	Hydrogen_Bond_Donor_Count	0
68636556	Covalent_Unit_Count	1
9579578	Undefined_Atom_Stereo_Count	0
6435	Undefined_Atom_Stereo_Count	0
132940892	Rotatable_Bond_Count	10
11005	Hydrogen_Bond_Acceptor_Count	2
17787271	Undefined_Bond_Stereo_Count	0
65708	Exact_Mass	190.074227566
24838347	Structure_Complexity	187
75757	Structure_Complexity	226
120081	TPSA	76.7
117569444	Defined_Atom_Stereo_Count	0
44521023	Total_Formal_Charge	0
27668	Hydrogen_Bond_Donor_Count	0
3107848	TPSA	46.2
39985	Tautomer_Count	9
10264356	Covalent_Unit_Count	1
19756	Molecular_Weight	184.19
589209	Covalent_Unit_Count	1
101304	Defined_Atom_Stereo_Count	0
20470206	Mono_Isotopic_Weight	108.093900383
292429	Hydrogen_Bond_Donor_Count	0
23674215	Hydrogen_Bond_Donor_Count	1
66684386	Molecular_Weight	349.4
3715	Hydrogen_Bond_Donor_Count	1
4560140	Covalent_Unit_Count	1
443944	Tautomer_Count	6
7168	Non-hydrogen_Atom_Count	15
5459845	Hydrogen_Bond_Donor_Count	4
66711	TPSA	31.4
87870867	Covalent_Unit_Count	1
630689	Molecular_Weight	336.4
123678537	XLogP3-AA	1.1
11101	Undefined_Bond_Stereo_Count	0
464205	Structure_Complexity	354
14592	Isotope_Atom_Count	0
15122661	Isotope_Atom_Count	0
84849	XLogP3-AA	3.4
317677	Structure_Complexity	74.6
39738	Rotatable_Bond_Count	0
441975	Molecular_Weight	352.4
9824562	Mono_Isotopic_Weight	441.11476979
5257090	Rotatable_Bond_Count	1
15642161	Covalent_Unit_Count	1
27383	Undefined_Bond_Stereo_Count	0
18928374	Covalent_Unit_Count	1
76241	Undefined_Bond_Stereo_Count	0
34328	Covalent_Unit_Count	1
24502	Molecular_Weight	294.18
11153672	Isotope_Atom_Count	0
61259	Hydrogen_Bond_Acceptor_Count	1
32765	Mono_Isotopic_Weight	393.89280
12585	XLogP3-AA	2.1
31621	Molecular_Weight	300.4
10429739	XLogP3-AA	3.9
5287541	Hydrogen_Bond_Acceptor_Count	6
16219	Rotatable_Bond_Count	16
87280025	Total_Formal_Charge	0
6918106	Defined_Atom_Stereo_Count	2
443297	Tautomer_Count	1
3155	Hydrogen_Bond_Acceptor_Count	2
29249	Mono_Isotopic_Weight	326.19156599
3016	Isotope_Atom_Count	0
140898864	Non-hydrogen_Atom_Count	8
443943	Undefined_Atom_Stereo_Count	0
44134719	Hydrogen_Bond_Acceptor_Count	8
62416539	Exact_Mass	110.084398327
14235	Undefined_Bond_Stereo_Count	0
72200671	Defined_Atom_Stereo_Count	3
55284853	Undefined_Bond_Stereo_Count	0
447835	XLogP3	4.3
2993	Isotope_Atom_Count	0
527072	Undefined_Bond_Stereo_Count	0
5057599	Defined_Bond_Stereo_Count	0
126977538	Rotatable_Bond_Count	2
6680	Defined_Atom_Stereo_Count	0
418296	Defined_Atom_Stereo_Count	0
140143509	Exact_Mass	97.016378338
76957773	Isotope_Atom_Count	0
46835136	Total_Formal_Charge	0
8386	Undefined_Atom_Stereo_Count	0
3733	TPSA	154
8878	XLogP3-AA	3.2
93303	Exact_Mass	768.42104815
86614862	Molecular_Weight	358.2
44338979	Exact_Mass	498.13168558
15580	Undefined_Bond_Stereo_Count	0
961	Undefined_Atom_Stereo_Count	0
35330	Total_Formal_Charge	0
16197725	TPSA	2950
904	Defined_Bond_Stereo_Count	0
3162	Undefined_Bond_Stereo_Count	0
119032	Defined_Bond_Stereo_Count	0
155895288	Rotatable_Bond_Count	1
3530398	XLogP3-AA	2.8
66908762	Rotatable_Bond_Count	0
196987	Hydrogen_Bond_Acceptor_Count	2
71311215	Isotope_Atom_Count	0
118460906	Hydrogen_Bond_Donor_Count	8
444679	Rotatable_Bond_Count	4
91734	TPSA	58.2
13316162	Exact_Mass	116.120115130
54080009	Covalent_Unit_Count	1
117807974	Defined_Bond_Stereo_Count	0
550525	Molecular_Weight	338.60
16049448	Covalent_Unit_Count	1
11717001	Molecular_Weight	334.4
129629038	Exact_Mass	181.06674293
62705687	Mono_Isotopic_Weight	458.13142291
11860544	Undefined_Atom_Stereo_Count	0
6902	Molecular_Weight	150.13
137704662	Undefined_Bond_Stereo_Count	0
512138	Isotope_Atom_Count	0
5328	Structure_Complexity	349
3694035	Covalent_Unit_Count	1
36054	Structure_Complexity	163
6102820	Hydrogen_Bond_Acceptor_Count	5
84976	Hydrogen_Bond_Donor_Count	4
19860177	Rotatable_Bond_Count	3
8819	Isotope_Atom_Count	0
5277135	Rotatable_Bond_Count	7
4342	Defined_Bond_Stereo_Count	0
122361528	Hydrogen_Bond_Acceptor_Count	17
91089723	Total_Formal_Charge	0
22459	Non-hydrogen_Atom_Count	6
13842461	Hydrogen_Bond_Donor_Count	3
82452	Defined_Atom_Stereo_Count	0
4163	Covalent_Unit_Count	1
22986609	Mono_Isotopic_Weight	113.047678466
123462301	TPSA	48
192154	Hydrogen_Bond_Donor_Count	0
56033	Tautomer_Count	5
16124688	Structure_Complexity	705
45934203	Rotatable_Bond_Count	9
57469	Undefined_Atom_Stereo_Count	0
62669681	XLogP3-AA	1.6
52945793	Non-hydrogen_Atom_Count	30
118210492	Defined_Atom_Stereo_Count	0
164575	Undefined_Bond_Stereo_Count	0
2777109	Isotope_Atom_Count	0
518874	Hydrogen_Bond_Acceptor_Count	0
23693089	Hydrogen_Bond_Donor_Count	4
44152363	Exact_Mass	459.26342531
23675737	Undefined_Bond_Stereo_Count	0
146158506	Covalent_Unit_Count	1
90019226	Mono_Isotopic_Weight	103.063328530
9938420	Mono_Isotopic_Weight	590.23497872
11655069	Rotatable_Bond_Count	7
45282362	Hydrogen_Bond_Acceptor_Count	4
6540277	Undefined_Atom_Stereo_Count	0
44458766	Hydrogen_Bond_Donor_Count	4
133550157	Isotope_Atom_Count	0
53346492	Undefined_Atom_Stereo_Count	0
573419	TPSA	34.9
162652	Covalent_Unit_Count	1
161764	Non-hydrogen_Atom_Count	29
19846	Hydrogen_Bond_Donor_Count	1
19789137	Defined_Atom_Stereo_Count	0
5281515	Mono_Isotopic_Weight	204.187800766
2723770	Undefined_Atom_Stereo_Count	0
151166	Tautomer_Count	37
49863420	Total_Formal_Charge	1
11520	Mono_Isotopic_Weight	116.120115130
66260	Isotope_Atom_Count	0
189821	Molecular_Weight	441.5
216262	Hydrogen_Bond_Donor_Count	5
8642	Non-hydrogen_Atom_Count	21
5311071	Undefined_Atom_Stereo_Count	0
3375	Molecular_Weight	410.5
10039361	Undefined_Atom_Stereo_Count	0
11640298	Isotope_Atom_Count	0
6656	Molecular_Weight	100.12
23079882	Total_Formal_Charge	0
3711	Hydrogen_Bond_Acceptor_Count	5
513337	Hydrogen_Bond_Donor_Count	8
3170	Isotope_Atom_Count	0
123716071	Exact_Mass	110.073164938
92781	XLogP3-AA	1
2724640	Defined_Bond_Stereo_Count	0
6967	Mono_Isotopic_Weight	287.00344812
4302960	Undefined_Atom_Stereo_Count	0
135410875	TPSA	187
819440	Covalent_Unit_Count	1
57401570	Exact_Mass	370.10996162
70141017	Rotatable_Bond_Count	0
54152337	Mono_Isotopic_Weight	358.1183161
11675054	Defined_Atom_Stereo_Count	0
12299881	Defined_Atom_Stereo_Count	4
999	Mono_Isotopic_Weight	136.052429494
31423	Hydrogen_Bond_Donor_Count	0
124143	Total_Formal_Charge	0
91895934	Undefined_Atom_Stereo_Count	0
57609	Tautomer_Count	16
535504	Non-hydrogen_Atom_Count	8
25897919	Tautomer_Count	1
22630677	Mono_Isotopic_Weight	107.048347172
49866023	Defined_Atom_Stereo_Count	2
13118	Exact_Mass	360.08183212
543207	Total_Formal_Charge	0
125098	Defined_Atom_Stereo_Count	0
17818	Defined_Atom_Stereo_Count	0
5174	Structure_Complexity	259
24183437	Defined_Bond_Stereo_Count	0
637542	Undefined_Bond_Stereo_Count	0
705388	Rotatable_Bond_Count	3
14465	TPSA	23.6
46233311	Rotatable_Bond_Count	8
54289557	Isotope_Atom_Count	0
23684571	Hydrogen_Bond_Acceptor_Count	4
69091	Covalent_Unit_Count	1
9919816	Hydrogen_Bond_Acceptor_Count	11
90937445	Molecular_Weight	905.0
58781694	Hydrogen_Bond_Acceptor_Count	2
12530	Isotope_Atom_Count	0
9050	Structure_Complexity	652
518516	TPSA	20.2
44758	Hydrogen_Bond_Donor_Count	2
6730	Undefined_Bond_Stereo_Count	0
11137427	Defined_Atom_Stereo_Count	0
23954	Undefined_Atom_Stereo_Count	0
25750	TPSA	65.1
5932	Undefined_Bond_Stereo_Count	0
11069215	Exact_Mass	391.0448479
78330	Mono_Isotopic_Weight	188.094963011
5280906	Exact_Mass	335.17327290
140050359	Non-hydrogen_Atom_Count	8
88334	Total_Formal_Charge	0
14343599	Isotope_Atom_Count	0
2219	Undefined_Atom_Stereo_Count	3
498459	Undefined_Bond_Stereo_Count	0
108157	Molecular_Weight	524.7
70689446	Exact_Mass	396.19098865
134695314	Isotope_Atom_Count	0
44630475	Covalent_Unit_Count	2
86083878	Defined_Bond_Stereo_Count	0
142243302	Isotope_Atom_Count	0
44570343	Total_Formal_Charge	0
6433117	Exact_Mass	392.20999276
224244	Exact_Mass	112.088815002
550964	Isotope_Atom_Count	0
140639440	TPSA	61.2
53910819	Hydrogen_Bond_Donor_Count	0
208838	Structure_Complexity	379
87110	Covalent_Unit_Count	1
60602	Undefined_Atom_Stereo_Count	0
9543090	Isotope_Atom_Count	0
9940690	Mono_Isotopic_Weight	814.32592949
57286	Molecular_Weight	328.9
72898	Undefined_Bond_Stereo_Count	0
98097	Mono_Isotopic_Weight	226.099379685
77463	XLogP3-AA	1.1
11408688	Defined_Atom_Stereo_Count	0
11377266	Exact_Mass	652.25532631
14121451	XLogP3-AA	0
62475	Molecular_Weight	120.19
17756938	Isotope_Atom_Count	0
141489386	Mono_Isotopic_Weight	112.027277375
58291777	Total_Formal_Charge	0
24825268	Undefined_Bond_Stereo_Count	0
5177	Structure_Complexity	747
3890	Rotatable_Bond_Count	14
53786	Hydrogen_Bond_Acceptor_Count	4
71541098	Exact_Mass	255.0581549
141276996	Total_Formal_Charge	0
7978	Hydrogen_Bond_Donor_Count	1
11320929	Mono_Isotopic_Weight	116.047344113
96809	Covalent_Unit_Count	1
57280	Defined_Atom_Stereo_Count	0
13245702	Rotatable_Bond_Count	0
10931374	Non-hydrogen_Atom_Count	7
6096207	Isotope_Atom_Count	0
213020	Structure_Complexity	324
4695	Undefined_Bond_Stereo_Count	0
129738164	Defined_Bond_Stereo_Count	0
4369414	Hydrogen_Bond_Acceptor_Count	8
16683095	Non-hydrogen_Atom_Count	8
10775424	Defined_Atom_Stereo_Count	5
25526	Total_Formal_Charge	0
6323336	Structure_Complexity	151
53465	Hydrogen_Bond_Acceptor_Count	4
91298647	Total_Formal_Charge	0
699570	Hydrogen_Bond_Acceptor_Count	4
7817	Structure_Complexity	116
54680660	Mono_Isotopic_Weight	414.26175355
71459117	Hydrogen_Bond_Donor_Count	1
13019047	Total_Formal_Charge	0
11136668	Non-hydrogen_Atom_Count	63
163156	Total_Formal_Charge	0
25002426	Total_Formal_Charge	0
118388035	Total_Formal_Charge	0
18600	Non-hydrogen_Atom_Count	22
99646540	Undefined_Atom_Stereo_Count	0
57077346	Mono_Isotopic_Weight	105.032697108
16114800	Molecular_Weight	1001.1
74448	Hydrogen_Bond_Donor_Count	0
688356	Defined_Atom_Stereo_Count	0
36995	Undefined_Bond_Stereo_Count	0
4366	Defined_Bond_Stereo_Count	0
70255	Rotatable_Bond_Count	0
54077	Total_Formal_Charge	0
19100334	Defined_Atom_Stereo_Count	0
25010550	Total_Formal_Charge	0
1120	Covalent_Unit_Count	1
6255	Molecular_Weight	342.30
558363	Structure_Complexity	50.1
1550887	Undefined_Bond_Stereo_Count	0
14825	Covalent_Unit_Count	3
87187299	Non-hydrogen_Atom_Count	14
141329202	Hydrogen_Bond_Donor_Count	0
118984450	Mono_Isotopic_Weight	5803.6376502
122404566	XLogP3-AA	5.4
72148	Exact_Mass	333.15512091
61523	Molecular_Weight	164.24
39526	Defined_Bond_Stereo_Count	0
13005	Mono_Isotopic_Weight	112.052429494
11412863	Defined_Atom_Stereo_Count	4
84063191	Covalent_Unit_Count	1
11815	Undefined_Atom_Stereo_Count	0
54751657	Exact_Mass	493.1615779
5463599	Structure_Complexity	62.1
14145	Hydrogen_Bond_Donor_Count	0
68658	Mono_Isotopic_Weight	312.1007480
628999	Undefined_Bond_Stereo_Count	0
6277	Isotope_Atom_Count	0
439569	Isotope_Atom_Count	0
25014810	Covalent_Unit_Count	1
129735833	Defined_Atom_Stereo_Count	0
117957810	Covalent_Unit_Count	1
95941	Defined_Bond_Stereo_Count	0
57481197	Total_Formal_Charge	0
11768526	Total_Formal_Charge	0
54031007	Undefined_Bond_Stereo_Count	0
71464628	Covalent_Unit_Count	1
6700	Structure_Complexity	783
164912	Undefined_Atom_Stereo_Count	0
29051	Exact_Mass	1084.47265329
41023	Hydrogen_Bond_Acceptor_Count	3
22450295	Covalent_Unit_Count	1
54897	TPSA	37.6
67502	Structure_Complexity	95.2
456255	Exact_Mass	462.07801004
2463138	Rotatable_Bond_Count	2
17884104	Defined_Bond_Stereo_Count	0
71679077	Molecular_Weight	425.7
11527774	Non-hydrogen_Atom_Count	38
2762895	Exact_Mass	110.048012819
61361	Total_Formal_Charge	0
127612	Isotope_Atom_Count	0
1033	Non-hydrogen_Atom_Count	52
4752	Rotatable_Bond_Count	4
84481	Defined_Bond_Stereo_Count	0
74879	Structure_Complexity	224
5372194	Covalent_Unit_Count	1
61259	Isotope_Atom_Count	0
56036	Covalent_Unit_Count	1
4174	Undefined_Atom_Stereo_Count	0
44144434	Defined_Atom_Stereo_Count	0
18335911	XLogP3-AA	0.5
143075695	Isotope_Atom_Count	0
135421876	Hydrogen_Bond_Donor_Count	2
21328181	Undefined_Atom_Stereo_Count	2
722799	Undefined_Atom_Stereo_Count	0
49765077	Undefined_Atom_Stereo_Count	0
10411334	Rotatable_Bond_Count	7
18728307	Non-hydrogen_Atom_Count	7
88402	Defined_Bond_Stereo_Count	0
90429111	Exact_Mass	115.026943022
57602863	XLogP3-AA	1.1
10993	XLogP3-AA	1.3
56623654	Exact_Mass	112.063662883
549318	Structure_Complexity	105
9447938	XLogP3	3.3
68414798	Defined_Bond_Stereo_Count	0
33498	Exact_Mass	214.04121336
27197	Molecular_Weight	247.31
52038	Defined_Bond_Stereo_Count	0
12294	Undefined_Bond_Stereo_Count	0
23674	Undefined_Atom_Stereo_Count	0
57174138	Rotatable_Bond_Count	2
1000	TPSA	46.2
808	TPSA	389
62323	Defined_Bond_Stereo_Count	0
579675	Tautomer_Count	10
74764517	Structure_Complexity	537
11355438	Hydrogen_Bond_Acceptor_Count	2
68476	Tautomer_Count	3
91663303	Mono_Isotopic_Weight	475.23587315
11339	Defined_Bond_Stereo_Count	0
18233	Molecular_Weight	102.09
67631	Defined_Atom_Stereo_Count	0
71454296	XLogP3-AA	2.7
17991084	Hydrogen_Bond_Donor_Count	1
13930	Undefined_Bond_Stereo_Count	0
75931	Total_Formal_Charge	0
87244770	Molecular_Weight	116.11
23685849	Hydrogen_Bond_Acceptor_Count	5
14106	Isotope_Atom_Count	0
6791	Rotatable_Bond_Count	1
3081561	Hydrogen_Bond_Acceptor_Count	51
134689739	Exact_Mass	532.07225596
16414	Defined_Atom_Stereo_Count	0
5284614	Hydrogen_Bond_Donor_Count	0
10090208	Structure_Complexity	530
968609	Exact_Mass	336.06023472
5311184	Covalent_Unit_Count	2
628370	Mono_Isotopic_Weight	308.91677
8248	Tautomer_Count	6
64334	Hydrogen_Bond_Acceptor_Count	2
60975	Isotope_Atom_Count	0
6369	Hydrogen_Bond_Donor_Count	0
383414	Mono_Isotopic_Weight	1018.44048069
9574343	Covalent_Unit_Count	1
1603	Structure_Complexity	794
13757963	Defined_Bond_Stereo_Count	0
71587831	Undefined_Bond_Stereo_Count	0
71486	Covalent_Unit_Count	2
58823276	Exact_Mass	360.137496527
45120354	Tautomer_Count	1
53319417	Hydrogen_Bond_Acceptor_Count	5
98771	TPSA	41.1
77996	Covalent_Unit_Count	1
15474	Defined_Bond_Stereo_Count	0
66171	TPSA	17.8
75530316	Molecular_Weight	511.6
9283	Rotatable_Bond_Count	3
139061810	Defined_Bond_Stereo_Count	0
21930924	Mono_Isotopic_Weight	370.02294
1281	Defined_Bond_Stereo_Count	0
6431771	Exact_Mass	343.12970781
5319022	Mono_Isotopic_Weight	190.099379685
121587	Non-hydrogen_Atom_Count	22
5250455	Total_Formal_Charge	0
3777	TPSA	83.8
39593	Molecular_Weight	220.31
48918	Total_Formal_Charge	0
22565	Mono_Isotopic_Weight	296.188863393
68539	Isotope_Atom_Count	0
5466139	Non-hydrogen_Atom_Count	20
19042	Tautomer_Count	1
135459971	Defined_Atom_Stereo_Count	0
40472	Molecular_Weight	395.3
13349550	Defined_Atom_Stereo_Count	0
57224326	Structure_Complexity	70.8
101875160	Structure_Complexity	71.4
90878759	Defined_Bond_Stereo_Count	0
16052015	Undefined_Bond_Stereo_Count	0
23616669	Hydrogen_Bond_Donor_Count	1
135398700	Rotatable_Bond_Count	0
135080	Total_Formal_Charge	0
58877	Tautomer_Count	1
80690	Tautomer_Count	16
24901347	Mono_Isotopic_Weight	463.19296297
68662	Isotope_Atom_Count	0
18952630	Defined_Bond_Stereo_Count	0
123641140	Defined_Atom_Stereo_Count	0
115017	Hydrogen_Bond_Acceptor_Count	0
57404062	Exact_Mass	616.34721450
103439594	Undefined_Atom_Stereo_Count	0
129859073	XLogP3-AA	2.9
522007	Mono_Isotopic_Weight	102.104465066
24765417	XLogP3-AA	2.4
71897	Total_Formal_Charge	0
8067	Tautomer_Count	1
23555879	TPSA	21.6
22081030	Undefined_Bond_Stereo_Count	0
643732	Structure_Complexity	494
5281764	Molecular_Weight	474.4
688044	Hydrogen_Bond_Acceptor_Count	2
39593	Undefined_Atom_Stereo_Count	0
72153	XLogP3-AA	1.4
8022	Defined_Atom_Stereo_Count	0
2724372	TPSA	36.4
129700770	Exact_Mass	324.183778013
62784	Hydrogen_Bond_Acceptor_Count	4
5461	Isotope_Atom_Count	0
10355	Defined_Bond_Stereo_Count	0
91683	Mono_Isotopic_Weight	314.0622189
135926580	TPSA	309
20935	Structure_Complexity	50
135398570	Defined_Bond_Stereo_Count	0
126992483	Total_Formal_Charge	0
826479	Isotope_Atom_Count	0
5748551	Exact_Mass	284.06847348
4179	Structure_Complexity	1470
89793222	Hydrogen_Bond_Acceptor_Count	2
6433091	Isotope_Atom_Count	0
71107	Exact_Mass	426.12494298
71583269	TPSA	91.8
12603472	Total_Formal_Charge	0
6918235	Undefined_Bond_Stereo_Count	0
135430970	Exact_Mass	532.19827947
439246	Isotope_Atom_Count	0
6918639	Molecular_Weight	542.33
3084667	Defined_Bond_Stereo_Count	0
6699	XLogP3-AA	5.9
20483595	Structure_Complexity	177
1942902	Total_Formal_Charge	0
3033053	Covalent_Unit_Count	1
342681	XLogP3-AA	1.3
82337	TPSA	18.5
5312125	Isotope_Atom_Count	0
772	Defined_Atom_Stereo_Count	0
12656387	Undefined_Bond_Stereo_Count	0
24765417	Defined_Atom_Stereo_Count	0
6674	Defined_Atom_Stereo_Count	8
157690	Undefined_Bond_Stereo_Count	0
69341007	Undefined_Atom_Stereo_Count	0
77857	Structure_Complexity	316
93143	Structure_Complexity	210
136060671	Molecular_Weight	181.23
88358812	Isotope_Atom_Count	0
643786	Defined_Bond_Stereo_Count	2
111727	Hydrogen_Bond_Acceptor_Count	3
139502	Hydrogen_Bond_Donor_Count	0
444025	Covalent_Unit_Count	1
165157	Hydrogen_Bond_Donor_Count	16
14039	Exact_Mass	74.048012819
71449585	Defined_Bond_Stereo_Count	0
444718	Isotope_Atom_Count	0
253350	Covalent_Unit_Count	1
123554527	TPSA	25.8
972	Undefined_Bond_Stereo_Count	0
356	Molecular_Weight	114.23
8992	Undefined_Bond_Stereo_Count	0
636822	Hydrogen_Bond_Donor_Count	0
16183	Hydrogen_Bond_Donor_Count	1
637996	Total_Formal_Charge	0
54687668	Undefined_Bond_Stereo_Count	0
10197612	Covalent_Unit_Count	1
124201874	Isotope_Atom_Count	0
53782318	TPSA	17.1
132594558	Undefined_Atom_Stereo_Count	1
5249080	Hydrogen_Bond_Donor_Count	0
15098633	Covalent_Unit_Count	1
54011	Rotatable_Bond_Count	15
18048	Covalent_Unit_Count	1
44586930	Molecular_Weight	275.31
3140	Tautomer_Count	1
127909	Hydrogen_Bond_Acceptor_Count	4
33782	Structure_Complexity	415
6279	Mono_Isotopic_Weight	386.24570956
2760056	Isotope_Atom_Count	0
88959077	Exact_Mass	113.047678466
6947362	Total_Formal_Charge	0
11492951	Defined_Atom_Stereo_Count	0
20644244	Defined_Bond_Stereo_Count	0
85104	Tautomer_Count	3
92275	Covalent_Unit_Count	1
12885796	Mono_Isotopic_Weight	116.120115130
694876	Hydrogen_Bond_Donor_Count	0
54255838	Non-hydrogen_Atom_Count	8
9305	Undefined_Bond_Stereo_Count	0
79088	Undefined_Atom_Stereo_Count	0
52766	Undefined_Atom_Stereo_Count	0
182092	Structure_Complexity	136
134018	Mono_Isotopic_Weight	316.08816355
17863	Exact_Mass	232.92378
85874	TPSA	44.5
143946	Hydrogen_Bond_Donor_Count	0
53683458	Non-hydrogen_Atom_Count	7
5363685	Total_Formal_Charge	0
516902	Covalent_Unit_Count	2
78431	Mono_Isotopic_Weight	239.09799996
527559	Undefined_Atom_Stereo_Count	0
518964	Structure_Complexity	37.4
78484	Covalent_Unit_Count	1
36933	Isotope_Atom_Count	0
62661	Tautomer_Count	1
247	Non-hydrogen_Atom_Count	8
71820	Tautomer_Count	1
5353439	Total_Formal_Charge	0
102366731	Undefined_Atom_Stereo_Count	0
23151396	Rotatable_Bond_Count	0
28506	Non-hydrogen_Atom_Count	16
9258	Defined_Atom_Stereo_Count	0
121207426	Defined_Bond_Stereo_Count	0
118285	Defined_Atom_Stereo_Count	0
18736805	Hydrogen_Bond_Acceptor_Count	3
12648109	TPSA	20.2
10273	Rotatable_Bond_Count	2
22660626	Rotatable_Bond_Count	0
53316474	Rotatable_Bond_Count	7
133124921	Undefined_Bond_Stereo_Count	0
18918215	Defined_Bond_Stereo_Count	0
1088	Molecular_Weight	89.09
12441662	Total_Formal_Charge	0
135403805	TPSA	102
9920327	Isotope_Atom_Count	0
25127299	Hydrogen_Bond_Donor_Count	1
164543616	Structure_Complexity	114
46882191	Rotatable_Bond_Count	4
4369502	Defined_Bond_Stereo_Count	0
665263	Rotatable_Bond_Count	5
9785	Tautomer_Count	10
39732	Structure_Complexity	317
95343	Isotope_Atom_Count	0
5356697	Defined_Bond_Stereo_Count	1
9933197	Defined_Atom_Stereo_Count	0
441975	Tautomer_Count	1
153241	Defined_Atom_Stereo_Count	1
136183544	Covalent_Unit_Count	3
15130827	Rotatable_Bond_Count	6
220773	Undefined_Atom_Stereo_Count	0
92043128	Hydrogen_Bond_Acceptor_Count	13
6432238	Covalent_Unit_Count	1
91435	Rotatable_Bond_Count	0
139592645	Exact_Mass	298.04773803
108147	Structure_Complexity	1450
520901	Undefined_Atom_Stereo_Count	0
9878679	Mono_Isotopic_Weight	275.07284784
41505	Isotope_Atom_Count	0
9548802	Defined_Bond_Stereo_Count	0
707	Non-hydrogen_Atom_Count	41
4497	XLogP3	3.1
11115995	Defined_Atom_Stereo_Count	0
71160	Defined_Bond_Stereo_Count	0
41211	Molecular_Weight	347.22
104711138	Undefined_Atom_Stereo_Count	1
79488	Hydrogen_Bond_Donor_Count	0
71249967	Non-hydrogen_Atom_Count	36
527031	Total_Formal_Charge	0
7272	TPSA	52.6
126402	Mono_Isotopic_Weight	317.19909372
444008	Mono_Isotopic_Weight	312.208930132
124426476	Total_Formal_Charge	0
51755	Tautomer_Count	1
29778	Undefined_Bond_Stereo_Count	0
14107712	Non-hydrogen_Atom_Count	20
344644	Exact_Mass	310.15689456
22411865	Molecular_Weight	336.12
136240586	Covalent_Unit_Count	1
5360487	Exact_Mass	420.09575085
5300	Hydrogen_Bond_Acceptor_Count	8
6426632	Undefined_Bond_Stereo_Count	0
628281	Mono_Isotopic_Weight	310.110613074
2721	Undefined_Bond_Stereo_Count	1
3086455	Defined_Bond_Stereo_Count	0
24956	Total_Formal_Charge	0
45116668	Rotatable_Bond_Count	1
14842942	Defined_Bond_Stereo_Count	0
12805738	Structure_Complexity	144
23661014	Defined_Bond_Stereo_Count	0
6918309	Total_Formal_Charge	0
3595	Molecular_Weight	388.5
54228006	Undefined_Atom_Stereo_Count	0
537387	Hydrogen_Bond_Donor_Count	0
139692	Non-hydrogen_Atom_Count	7
55288133	Hydrogen_Bond_Donor_Count	1
119101	Undefined_Atom_Stereo_Count	0
57411983	XLogP3-AA	2.3
547785	Rotatable_Bond_Count	3
53856650	XLogP3-AA	3.4
73653998	Undefined_Atom_Stereo_Count	1
3512	Structure_Complexity	575
73921	Undefined_Atom_Stereo_Count	0
155340720	Undefined_Atom_Stereo_Count	2
118703	XLogP3-AA	4.8
44345559	TPSA	46.9
6918483	Defined_Atom_Stereo_Count	7
33344	Rotatable_Bond_Count	0
118984445	Hydrogen_Bond_Acceptor_Count	91
5287468	Total_Formal_Charge	0
66342	Defined_Atom_Stereo_Count	0
89800161	Rotatable_Bond_Count	15
7020094	Molecular_Weight	270.24
79608	Covalent_Unit_Count	1
5282450	Rotatable_Bond_Count	8
7220	Defined_Atom_Stereo_Count	0
14798	Defined_Atom_Stereo_Count	0
17549	Undefined_Atom_Stereo_Count	0
5284515	Tautomer_Count	1
56668819	Hydrogen_Bond_Donor_Count	1
65092	Exact_Mass	90.01393598
23394	Undefined_Bond_Stereo_Count	0
11988286	Covalent_Unit_Count	1
11593706	Mono_Isotopic_Weight	211.0611356
73755067	Defined_Atom_Stereo_Count	5
73158666	Structure_Complexity	89.9
21255491	Defined_Atom_Stereo_Count	0
71460731	Rotatable_Bond_Count	5
12465459	XLogP3-AA	0.4
54687420	Molecular_Weight	249.19
10761	Rotatable_Bond_Count	6
5648	Rotatable_Bond_Count	10
90930062	TPSA	55.4
220272	Tautomer_Count	7
1146	Structure_Complexity	8
3034811	Mono_Isotopic_Weight	104.968545
6114	Isotope_Atom_Count	0
100927764	Hydrogen_Bond_Acceptor_Count	4
81445	Rotatable_Bond_Count	0
24875236	Isotope_Atom_Count	0
69968	Rotatable_Bond_Count	18
12908367	Undefined_Atom_Stereo_Count	1
7947	TPSA	0
151170	Isotope_Atom_Count	0
738	Non-hydrogen_Atom_Count	10
9875516	Defined_Bond_Stereo_Count	0
743681	TPSA	116
522693	Defined_Atom_Stereo_Count	0
3417419	Undefined_Atom_Stereo_Count	0
22817455	Undefined_Atom_Stereo_Count	0
31193	Exact_Mass	113.903365
5361043	XLogP3-AA	2.2
37646	Hydrogen_Bond_Acceptor_Count	2
2773	Non-hydrogen_Atom_Count	10
656612	Exact_Mass	370.0150477
91820610	Hydrogen_Bond_Acceptor_Count	3
4368	Total_Formal_Charge	0
104955	Non-hydrogen_Atom_Count	28
145188444	Structure_Complexity	107
17700	Structure_Complexity	435
168381	Undefined_Atom_Stereo_Count	0
23635364	Hydrogen_Bond_Acceptor_Count	2
61124202	Undefined_Atom_Stereo_Count	1
9461	Covalent_Unit_Count	1
11974020	Hydrogen_Bond_Acceptor_Count	8
31405	TPSA	20.2
21940933	Molecular_Weight	606.1
15496999	Molecular_Weight	97.12
24978601	Defined_Bond_Stereo_Count	1
89875063	TPSA	20.2
441300	XLogP3-AA	0.9
2724640	Undefined_Atom_Stereo_Count	0
23676735	TPSA	77.4
29831	Total_Formal_Charge	0
281478	Mono_Isotopic_Weight	84.057514874
16399	Hydrogen_Bond_Acceptor_Count	1
61833	Isotope_Atom_Count	0
92685	Mono_Isotopic_Weight	597.97483
637540	Undefined_Atom_Stereo_Count	0
14181	Covalent_Unit_Count	1
81909	Total_Formal_Charge	0
3566770	Defined_Bond_Stereo_Count	0
609	Molecular_Weight	259.15
11983869	Covalent_Unit_Count	1
7312	Molecular_Weight	163.69
14200857	Undefined_Bond_Stereo_Count	0
53316416	Isotope_Atom_Count	0
121235738	Non-hydrogen_Atom_Count	14
102135084	Isotope_Atom_Count	0
8555	Total_Formal_Charge	0
122706485	Exact_Mass	2166.9705054
56927879	Non-hydrogen_Atom_Count	104
66502	TPSA	167
56673690	TPSA	108
89532783	XLogP3-AA	0.9
44578693	Defined_Atom_Stereo_Count	1
3525005	Non-hydrogen_Atom_Count	8
7241	TPSA	0
90469695	TPSA	198
5810	Rotatable_Bond_Count	1
6713443	Defined_Bond_Stereo_Count	0
5377791	Tautomer_Count	1
3082052	Defined_Atom_Stereo_Count	3
176907	Isotope_Atom_Count	0
10084648	Total_Formal_Charge	0
13543206	Non-hydrogen_Atom_Count	6
75982	Hydrogen_Bond_Acceptor_Count	3
65731	Structure_Complexity	405
16719897	Molecular_Weight	208.14
60751	Total_Formal_Charge	0
139020	Covalent_Unit_Count	1
5362775	Exact_Mass	98.073164938
270362	Hydrogen_Bond_Acceptor_Count	2
118177912	XLogP3-AA	1.4
11364421	Exact_Mass	521.31143813
166775	Mono_Isotopic_Weight	666.22185834
7624	Structure_Complexity	322
520396	Tautomer_Count	1
56670168	Hydrogen_Bond_Acceptor_Count	7
853433	Exact_Mass	164.083729621
818183	Undefined_Bond_Stereo_Count	0
11601	Structure_Complexity	29.3
22168583	Defined_Bond_Stereo_Count	0
8098	Mono_Isotopic_Weight	234.11033829
57144446	Rotatable_Bond_Count	0
1864	Exact_Mass	248.11609238
44249711	Isotope_Atom_Count	0
76548	Non-hydrogen_Atom_Count	12
70003	Undefined_Bond_Stereo_Count	0
3083702	Rotatable_Bond_Count	15
73078	Rotatable_Bond_Count	4
54326118	Exact_Mass	110.048012819
9826520	Undefined_Atom_Stereo_Count	0
12546246	Undefined_Bond_Stereo_Count	0
59966656	Rotatable_Bond_Count	6
70609	Defined_Bond_Stereo_Count	0
69020	Undefined_Atom_Stereo_Count	0
6337	Undefined_Atom_Stereo_Count	0
11345692	Covalent_Unit_Count	2
22385	Hydrogen_Bond_Acceptor_Count	0
68663	Defined_Atom_Stereo_Count	0
135209752	Defined_Bond_Stereo_Count	0
1040	Covalent_Unit_Count	1
1335	Defined_Atom_Stereo_Count	0
448055	Undefined_Atom_Stereo_Count	0
61393223	Mono_Isotopic_Weight	112.063662883
141738	Non-hydrogen_Atom_Count	7
95269	Undefined_Atom_Stereo_Count	2
90730816	Undefined_Atom_Stereo_Count	1
134056	Defined_Bond_Stereo_Count	0
3081304	Structure_Complexity	558
3699	Total_Formal_Charge	0
22617391	Undefined_Bond_Stereo_Count	0
67259771	Rotatable_Bond_Count	9
132306	Defined_Bond_Stereo_Count	0
62583	Defined_Atom_Stereo_Count	0
18366133	Isotope_Atom_Count	0
38910	Rotatable_Bond_Count	2
30072	Isotope_Atom_Count	0
4714	Undefined_Bond_Stereo_Count	2
3636	Isotope_Atom_Count	0
71957	Defined_Atom_Stereo_Count	2
23270355	Covalent_Unit_Count	1
72943	Molecular_Weight	502.7
12228201	Undefined_Bond_Stereo_Count	0
60167543	Total_Formal_Charge	0
23283041	Hydrogen_Bond_Donor_Count	0
96359	XLogP3-AA	3.1
17904790	Undefined_Atom_Stereo_Count	0
70542877	XLogP3-AA	0.1
521759	Molecular_Weight	96.17
62328	TPSA	26.3
211468	Defined_Bond_Stereo_Count	0
25244090	Molecular_Weight	198.18
117736498	Total_Formal_Charge	0
12905357	Structure_Complexity	861
3941	Total_Formal_Charge	0
46936190	Non-hydrogen_Atom_Count	23
14900	Exact_Mass	330.27700969
2337	Defined_Atom_Stereo_Count	0
16688300	Undefined_Atom_Stereo_Count	0
9549168	Undefined_Bond_Stereo_Count	0
25272039	Covalent_Unit_Count	1
12819963	Rotatable_Bond_Count	0
13019072	Molecular_Weight	416.6
5324279	TPSA	32.6
454	Hydrogen_Bond_Acceptor_Count	1
9942657	Hydrogen_Bond_Acceptor_Count	4
633366	Molecular_Weight	382.2
25167947	XLogP3-AA	4.7
21507	XLogP3-AA	1.3
11954041	Undefined_Bond_Stereo_Count	0
44458766	Molecular_Weight	275.3
14484	Undefined_Bond_Stereo_Count	0
14681325	Undefined_Atom_Stereo_Count	1
12352	TPSA	23.8
528	Non-hydrogen_Atom_Count	11
917	Exact_Mass	153.10144537
6828291	Total_Formal_Charge	0
180098	Hydrogen_Bond_Donor_Count	3
3106	Undefined_Bond_Stereo_Count	0
19991465	Undefined_Bond_Stereo_Count	0
162172	Isotope_Atom_Count	0
60960	Covalent_Unit_Count	2
57992058	XLogP3-AA	3.9
53677316	Defined_Bond_Stereo_Count	0
730093	Hydrogen_Bond_Donor_Count	2
12186	TPSA	20.2
51635	Molecular_Weight	269.77
72736	XLogP3-AA	4.7
954767	Rotatable_Bond_Count	4
58460742	Defined_Bond_Stereo_Count	0
87292009	Total_Formal_Charge	0
85252	Mono_Isotopic_Weight	160.091956283
4692287	Structure_Complexity	650
5281899	Isotope_Atom_Count	0
59295968	Covalent_Unit_Count	1
13853	Molecular_Weight	86.13
15605556	Total_Formal_Charge	0
5359464	Defined_Bond_Stereo_Count	0
54382	Isotope_Atom_Count	0
4380970	Undefined_Bond_Stereo_Count	0
93804	Hydrogen_Bond_Acceptor_Count	7
9855476	Total_Formal_Charge	0
68343	Mono_Isotopic_Weight	200.0174972
177085	XLogP3-AA	2.2
139291782	Total_Formal_Charge	0
117488	Structure_Complexity	330
130143669	Non-hydrogen_Atom_Count	8
16739650	Molecular_Weight	372.5
18173271	Isotope_Atom_Count	0
14970970	Structure_Complexity	109
22754947	Defined_Atom_Stereo_Count	0
197883	Tautomer_Count	1
54682511	Undefined_Bond_Stereo_Count	0
55804	Molecular_Weight	217.69
18386435	Hydrogen_Bond_Acceptor_Count	4
25674	Isotope_Atom_Count	0
99435	Isotope_Atom_Count	0
14710	Exact_Mass	393.08406
135920970	Defined_Bond_Stereo_Count	0
11965427	TPSA	142
25117126	Defined_Atom_Stereo_Count	0
59116084	Rotatable_Bond_Count	1
17412	Covalent_Unit_Count	1
701186	Mono_Isotopic_Weight	304.0614700
27531	Total_Formal_Charge	0
87161809	Structure_Complexity	110
76141	Mono_Isotopic_Weight	71.073499291
59896759	Undefined_Atom_Stereo_Count	0
22013662	Isotope_Atom_Count	0
57511216	Covalent_Unit_Count	1
100886	Exact_Mass	114.104465066
5795	Covalent_Unit_Count	2
57077234	Exact_Mass	112.088815002
2881	Defined_Atom_Stereo_Count	0
37251	Non-hydrogen_Atom_Count	20
31005	Undefined_Bond_Stereo_Count	0
57394197	Exact_Mass	494.21403277
7155	Structure_Complexity	242
10181898	Rotatable_Bond_Count	5
71311204	Undefined_Bond_Stereo_Count	0
88800	Total_Formal_Charge	0
5464200	Rotatable_Bond_Count	9
19907834	Isotope_Atom_Count	0
9852904	Non-hydrogen_Atom_Count	47
264852	Rotatable_Bond_Count	2
66823783	Exact_Mass	132.043596145
60196265	Undefined_Bond_Stereo_Count	0
8125	Hydrogen_Bond_Acceptor_Count	0
9202	Undefined_Atom_Stereo_Count	0
440175	Rotatable_Bond_Count	3
25386	Exact_Mass	317.1546421
166144333	Non-hydrogen_Atom_Count	8
90019226	Structure_Complexity	47
445318	Undefined_Bond_Stereo_Count	0
89578867	Non-hydrogen_Atom_Count	23
161094262	Molecular_Weight	86.14
129009962	Structure_Complexity	3480
8946	Undefined_Bond_Stereo_Count	0
448043	Structure_Complexity	476
91857355	Covalent_Unit_Count	1
5289534	TPSA	146
41170	Undefined_Bond_Stereo_Count	0
139024271	Undefined_Bond_Stereo_Count	0
5536	Hydrogen_Bond_Acceptor_Count	6
9249	Structure_Complexity	91.2
71305061	Hydrogen_Bond_Acceptor_Count	10
12351158	Exact_Mass	97.016378338
143588	Total_Formal_Charge	0
23458177	TPSA	53.2
447476	Hydrogen_Bond_Donor_Count	4
72023	Rotatable_Bond_Count	6
21157625	Isotope_Atom_Count	0
25195	Mono_Isotopic_Weight	352.14230712
12167465	Undefined_Atom_Stereo_Count	0
22378	Rotatable_Bond_Count	6
23466227	Structure_Complexity	118
16073666	XLogP3-AA	4.8
16220111	Undefined_Atom_Stereo_Count	0
52941677	Hydrogen_Bond_Donor_Count	1
5282350	Defined_Bond_Stereo_Count	2
129633772	Covalent_Unit_Count	1
11029787	Rotatable_Bond_Count	2
203329	Non-hydrogen_Atom_Count	38
17714	Hydrogen_Bond_Acceptor_Count	3
137240373	Structure_Complexity	2470
59059060	Undefined_Bond_Stereo_Count	0
99327	Mono_Isotopic_Weight	319.08782920
50901	Rotatable_Bond_Count	10
70150	Rotatable_Bond_Count	1
28332	Total_Formal_Charge	0
2933256	Hydrogen_Bond_Acceptor_Count	1
64992139	Rotatable_Bond_Count	1
10725321	Isotope_Atom_Count	0
2723770	Rotatable_Bond_Count	0
104904	Mono_Isotopic_Weight	199.12084340
13301951	Isotope_Atom_Count	0
85824359	Structure_Complexity	80
94937	Exact_Mass	222.08045576
99378	Hydrogen_Bond_Donor_Count	1
7578	Tautomer_Count	2
664081	Hydrogen_Bond_Donor_Count	1
8323	Tautomer_Count	12
86183	Total_Formal_Charge	0
73720	Molecular_Weight	166.29
63002	Molecular_Weight	538.1
21651	Hydrogen_Bond_Acceptor_Count	6
11289	Structure_Complexity	442
100957201	Isotope_Atom_Count	0
124770289	Undefined_Atom_Stereo_Count	0
57637187	Total_Formal_Charge	0
58854	Structure_Complexity	217
57820	TPSA	66
6436138	Exact_Mass	424.0938327
56633764	Defined_Bond_Stereo_Count	0
4421	Mono_Isotopic_Weight	232.08479225
85912645	Total_Formal_Charge	0
18075	Exact_Mass	210.079312947
23897	Mono_Isotopic_Weight	276.183778013
10575614	Hydrogen_Bond_Donor_Count	1
413538	Isotope_Atom_Count	0
836	Hydrogen_Bond_Acceptor_Count	5
30065	Exact_Mass	261.172878976
44520827	Molecular_Weight	314.8
66354	Mono_Isotopic_Weight	83.048347172
5270603	Molecular_Weight	242.23
19428628	Molecular_Weight	110.11
65620	TPSA	33.1
135347950	Undefined_Bond_Stereo_Count	0
67374618	Defined_Bond_Stereo_Count	0
92196	Undefined_Bond_Stereo_Count	0
25253556	Tautomer_Count	2
181138	Defined_Atom_Stereo_Count	0
148573599	Hydrogen_Bond_Acceptor_Count	0
68423	Structure_Complexity	39.4
72200166	Mono_Isotopic_Weight	621.32523719
51066536	Structure_Complexity	675
161930	Isotope_Atom_Count	0
4659387	TPSA	99.9
534959	Mono_Isotopic_Weight	98.073164938
123630	Molecular_Weight	300.29
442436	Rotatable_Bond_Count	11
14869	TPSA	49.3
56840904	Hydrogen_Bond_Acceptor_Count	6
15608605	Molecular_Weight	416.5
847313	Exact_Mass	296.09431156
3520	Structure_Complexity	26.3
485083	Structure_Complexity	78.1
12310749	Exact_Mass	398.354866087
68921	Non-hydrogen_Atom_Count	33
284240	Hydrogen_Bond_Donor_Count	2
129508	Rotatable_Bond_Count	5
1711973	Covalent_Unit_Count	1
47955	TPSA	40.5
5074	Mono_Isotopic_Weight	477.16863993
68094	Undefined_Bond_Stereo_Count	0
22464	Hydrogen_Bond_Acceptor_Count	2
14079973	Structure_Complexity	71.3
5072	Defined_Atom_Stereo_Count	0
82140	Covalent_Unit_Count	1
439233	Structure_Complexity	202
4921934	Isotope_Atom_Count	0
27020	Mono_Isotopic_Weight	643.71052
83363	XLogP3	6.2
23668195	Non-hydrogen_Atom_Count	5
92043128	Exact_Mass	837.16598
7362	Hydrogen_Bond_Acceptor_Count	2
53322429	Covalent_Unit_Count	1
66002	Covalent_Unit_Count	1
24261	Defined_Atom_Stereo_Count	0
2709	Defined_Bond_Stereo_Count	0
52706	Tautomer_Count	2
8142	Structure_Complexity	43.8
400185	Hydrogen_Bond_Acceptor_Count	5
23434975	Non-hydrogen_Atom_Count	7
83045	Defined_Atom_Stereo_Count	0
136504	Molecular_Weight	97.09
139584807	Hydrogen_Bond_Donor_Count	1
4331	Rotatable_Bond_Count	13
3118	Undefined_Atom_Stereo_Count	0
122188	Hydrogen_Bond_Donor_Count	3
5363548	Tautomer_Count	1
141315	XLogP3-AA	0.3
11346	XLogP3	1.3
8418	Isotope_Atom_Count	0
91397067	Undefined_Atom_Stereo_Count	3
13710589	Undefined_Bond_Stereo_Count	0
5311505	Molecular_Weight	449.6
21639832	Molecular_Weight	101.15
32817	Total_Formal_Charge	0
13848132	Undefined_Atom_Stereo_Count	1
11957526	Molecular_Weight	260.13
3012	Defined_Atom_Stereo_Count	0
9961469	Undefined_Bond_Stereo_Count	0
73847	Hydrogen_Bond_Donor_Count	0
5167	TPSA	140
136499	Rotatable_Bond_Count	0
18200	Tautomer_Count	1
10687	Tautomer_Count	9
549278	XLogP3-AA	0.1
82326	Undefined_Bond_Stereo_Count	0
82550	TPSA	29.1
24848345	Undefined_Atom_Stereo_Count	2
657210	Structure_Complexity	130
405741	Undefined_Atom_Stereo_Count	1
134129858	Isotope_Atom_Count	0
5047209	XLogP3-AA	0.5
65171	Exact_Mass	247.123523487
8818	Molecular_Weight	142.20
57369411	Hydrogen_Bond_Acceptor_Count	16
61236	Defined_Atom_Stereo_Count	0
131704245	Undefined_Atom_Stereo_Count	0
16722836	Mono_Isotopic_Weight	524.25696021
3763	Mono_Isotopic_Weight	183.9714332
58863022	Mono_Isotopic_Weight	342.11621151
65940	Undefined_Atom_Stereo_Count	0
90818	Isotope_Atom_Count	0
8250	TPSA	82.2
131287	Undefined_Atom_Stereo_Count	0
30429	Isotope_Atom_Count	0
66073187	Molecular_Weight	113.16
146159143	Undefined_Bond_Stereo_Count	1
71384	Exact_Mass	268.11715500
19918535	Molecular_Weight	97.12
5284461	TPSA	121
14535398	Hydrogen_Bond_Acceptor_Count	2
54573150	Non-hydrogen_Atom_Count	8
31824	Non-hydrogen_Atom_Count	19
10080320	Undefined_Bond_Stereo_Count	0
69845357	Undefined_Bond_Stereo_Count	0
3000668	Molecular_Weight	305.4
487101	Non-hydrogen_Atom_Count	30
22674	Covalent_Unit_Count	2
76958691	Undefined_Bond_Stereo_Count	0
71334656	Covalent_Unit_Count	1
13611195	TPSA	0
8437	Non-hydrogen_Atom_Count	23
10255241	Covalent_Unit_Count	1
60196434	Covalent_Unit_Count	1
117683867	Defined_Atom_Stereo_Count	11
51030897	Covalent_Unit_Count	1
11040	Undefined_Atom_Stereo_Count	1
23622962	Structure_Complexity	226
98231	Covalent_Unit_Count	1
12285886	Non-hydrogen_Atom_Count	12
5484366	Undefined_Atom_Stereo_Count	0
2365	Hydrogen_Bond_Acceptor_Count	2
28094582	Structure_Complexity	222
17092	Undefined_Atom_Stereo_Count	0
5323652	Defined_Bond_Stereo_Count	1
12266	Non-hydrogen_Atom_Count	7
25128834	XLogP3-AA	1.4
12609719	Defined_Bond_Stereo_Count	0
84081492	Exact_Mass	114.104465066
118701498	Mono_Isotopic_Weight	332.23514488
11843	Undefined_Atom_Stereo_Count	0
56296	Defined_Bond_Stereo_Count	0
2764838	Structure_Complexity	113
6484	Hydrogen_Bond_Acceptor_Count	0
23757	Rotatable_Bond_Count	4
25522	Non-hydrogen_Atom_Count	24
44755151	Isotope_Atom_Count	0
11154711	Exact_Mass	432.08136409
11215	Hydrogen_Bond_Donor_Count	0
10820489	Undefined_Atom_Stereo_Count	0
133611834	Defined_Bond_Stereo_Count	1
439051	Non-hydrogen_Atom_Count	18
89990549	Non-hydrogen_Atom_Count	7
44563116	Mono_Isotopic_Weight	419.24335857
45484184	TPSA	99.8
129873282	Isotope_Atom_Count	0
13138	Exact_Mass	218.179952478
123156	Total_Formal_Charge	0
12634653	Exact_Mass	80.062600255
339213	Defined_Atom_Stereo_Count	0
417753	Exact_Mass	495.1275944
129754695	Non-hydrogen_Atom_Count	29
90818	Tautomer_Count	1
15294	Undefined_Atom_Stereo_Count	0
139291730	Undefined_Bond_Stereo_Count	0
87586559	Structure_Complexity	137
443156	Defined_Atom_Stereo_Count	2
959571	Undefined_Atom_Stereo_Count	0
17835	Structure_Complexity	66.4
53315139	Hydrogen_Bond_Acceptor_Count	24
55287916	Rotatable_Bond_Count	2
63134	XLogP3	2.4
6425135	Undefined_Atom_Stereo_Count	0
150679	Mono_Isotopic_Weight	270.08652358
2795	Covalent_Unit_Count	1
89785	Hydrogen_Bond_Acceptor_Count	3
5284614	Tautomer_Count	1
17040	Exact_Mass	179.094628657
68547	TPSA	99.5
86620451	Isotope_Atom_Count	0
38019	Mono_Isotopic_Weight	357.844416
71416538	Isotope_Atom_Count	0
45266912	Non-hydrogen_Atom_Count	39
44123551	Hydrogen_Bond_Donor_Count	2
15053	Undefined_Bond_Stereo_Count	0
493	Mono_Isotopic_Weight	715.17278544
12576851	Mono_Isotopic_Weight	112.074896272
36688135	Defined_Bond_Stereo_Count	0
57208108	Undefined_Atom_Stereo_Count	0
720213	Rotatable_Bond_Count	6
12190	Mono_Isotopic_Weight	120.078644241
65677	Covalent_Unit_Count	1
17356	TPSA	50.6
183679	Isotope_Atom_Count	0
235713	Hydrogen_Bond_Donor_Count	2
92629	Undefined_Bond_Stereo_Count	0
59999517	Mono_Isotopic_Weight	113.047678466
41462	Total_Formal_Charge	0
3656821	Hydrogen_Bond_Donor_Count	2
66992840	Defined_Atom_Stereo_Count	0
31253	Rotatable_Bond_Count	4
10214379	XLogP3-AA	0.4
1201546	Undefined_Bond_Stereo_Count	0
17921988	Undefined_Atom_Stereo_Count	1
37270	Hydrogen_Bond_Donor_Count	0
129845	Structure_Complexity	453
46936357	Molecular_Weight	632.6
77991	Tautomer_Count	1
8906	Total_Formal_Charge	0
3058	Covalent_Unit_Count	1
14577080	Mono_Isotopic_Weight	285.0920418
11329359	Isotope_Atom_Count	0
637921	Defined_Bond_Stereo_Count	1
11915	Undefined_Atom_Stereo_Count	0
14947250	Undefined_Atom_Stereo_Count	0
124159802	Covalent_Unit_Count	1
17607	Undefined_Bond_Stereo_Count	0
69677	Non-hydrogen_Atom_Count	9
1004	Hydrogen_Bond_Acceptor_Count	4
101613952	Isotope_Atom_Count	0
5311447	Non-hydrogen_Atom_Count	31
67313	Defined_Atom_Stereo_Count	0
53313171	Hydrogen_Bond_Donor_Count	1
54682469	TPSA	182
65920	Tautomer_Count	9
9868950	Molecular_Weight	425.6
20226563	Total_Formal_Charge	0
58463204	Molecular_Weight	108.18
59174488	Exact_Mass	423.17066774
14962	Mono_Isotopic_Weight	623.21150888
105970	Mono_Isotopic_Weight	245.98342370
145068	TPSA	18.1
1068	TPSA	25.3
71306	TPSA	401
86922	Defined_Bond_Stereo_Count	0
135408714	Covalent_Unit_Count	1
16663248	Non-hydrogen_Atom_Count	28
2816577	Undefined_Atom_Stereo_Count	0
85382	Isotope_Atom_Count	0
226057	Mono_Isotopic_Weight	269.120449483
5281517	Exact_Mass	204.187800766
725300	Non-hydrogen_Atom_Count	20
5281877	Hydrogen_Bond_Acceptor_Count	8
467825	Exact_Mass	437.11218768
123452974	XLogP3-AA	1.2
436	Undefined_Atom_Stereo_Count	0
198243	Defined_Bond_Stereo_Count	0
12244	Undefined_Bond_Stereo_Count	0
104930	Hydrogen_Bond_Donor_Count	0
8948	Hydrogen_Bond_Acceptor_Count	3
11550004	Undefined_Bond_Stereo_Count	0
66105	TPSA	0
46944253	Hydrogen_Bond_Donor_Count	1
105093	Molecular_Weight	196.96657
16211214	Molecular_Weight	381.4
643312	Hydrogen_Bond_Donor_Count	2
101630832	Non-hydrogen_Atom_Count	26
6055	Rotatable_Bond_Count	4
140695	Hydrogen_Bond_Donor_Count	0
30550	Total_Formal_Charge	0
11004	Covalent_Unit_Count	1
3863	Rotatable_Bond_Count	6
129688356	Hydrogen_Bond_Donor_Count	4
7020337	Exact_Mass	477.09994880
14437479	Total_Formal_Charge	0
90227	Non-hydrogen_Atom_Count	27
67156338	Total_Formal_Charge	0
108037	Isotope_Atom_Count	0
47866	Molecular_Weight	166.18
98207156	Defined_Bond_Stereo_Count	0
24772043	Molecular_Weight	454.6
19390240	Undefined_Atom_Stereo_Count	0
921134	XLogP3-AA	4.9
19892314	Hydrogen_Bond_Acceptor_Count	5
102358067	Isotope_Atom_Count	0
86488	Hydrogen_Bond_Donor_Count	2
54136480	Exact_Mass	118.062994177
4268635	Mono_Isotopic_Weight	152.0392780
692135	Isotope_Atom_Count	0
85254	Hydrogen_Bond_Donor_Count	1
139352	Hydrogen_Bond_Acceptor_Count	3
10980	Total_Formal_Charge	0
2075	Undefined_Bond_Stereo_Count	0
7774	Non-hydrogen_Atom_Count	16
8125	Exact_Mass	112.125200510
19080487	Exact_Mass	98.073164938
15191343	Covalent_Unit_Count	1
54677470	Molecular_Weight	351.4
135564655	Undefined_Atom_Stereo_Count	0
13198436	Exact_Mass	102.031694049
60196382	Hydrogen_Bond_Donor_Count	0
18372143	Defined_Bond_Stereo_Count	0
75195	XLogP3-AA	6.4
28213	Rotatable_Bond_Count	7
91612585	Undefined_Bond_Stereo_Count	0
83535	Hydrogen_Bond_Acceptor_Count	7
809629	Rotatable_Bond_Count	3
3082127	Mono_Isotopic_Weight	225.95807833
10177255	Hydrogen_Bond_Donor_Count	2
66970	Covalent_Unit_Count	1
12627075	Covalent_Unit_Count	1
44345559	Defined_Atom_Stereo_Count	9
5068775	Mono_Isotopic_Weight	100.100048391
20674	Total_Formal_Charge	0
6433192	Covalent_Unit_Count	2
17480032	Structure_Complexity	313
45116667	TPSA	31
1319	Exact_Mass	304.109944368
44413	Tautomer_Count	1
42091	Hydrogen_Bond_Acceptor_Count	3
91333	TPSA	60.8
498716	Hydrogen_Bond_Donor_Count	0
51921894	Non-hydrogen_Atom_Count	23
270010	Mono_Isotopic_Weight	162.02516937
2775641	Undefined_Bond_Stereo_Count	0
2108	Isotope_Atom_Count	0
59174488	Hydrogen_Bond_Donor_Count	3
170254	Isotope_Atom_Count	0
134436906	XLogP3-AA	2.5
2933256	Isotope_Atom_Count	0
3263	Defined_Atom_Stereo_Count	0
131674917	Total_Formal_Charge	0
24352	Non-hydrogen_Atom_Count	24
148184	Undefined_Atom_Stereo_Count	0
546877	Hydrogen_Bond_Acceptor_Count	2
994868	Molecular_Weight	535.6
369219	Molecular_Weight	183.29
73114967	Non-hydrogen_Atom_Count	8
5045	Undefined_Atom_Stereo_Count	0
12933420	Covalent_Unit_Count	1
15559658	Hydrogen_Bond_Acceptor_Count	1
59730586	XLogP3-AA	3
20202559	Hydrogen_Bond_Donor_Count	0
66587032	Non-hydrogen_Atom_Count	29
25133978	Isotope_Atom_Count	0
6746	Total_Formal_Charge	0
91017818	Structure_Complexity	75.6
34633	Covalent_Unit_Count	1
57121306	Isotope_Atom_Count	0
517232	Non-hydrogen_Atom_Count	5
51971	Mono_Isotopic_Weight	284.131348519
131704232	Total_Formal_Charge	0
19966769	Covalent_Unit_Count	1
14057	Structure_Complexity	89.2
13539	Isotope_Atom_Count	0
8159	Exact_Mass	158.130679813
22932	Molecular_Weight	390.6
5281517	Non-hydrogen_Atom_Count	15
1083	Covalent_Unit_Count	1
798232	Non-hydrogen_Atom_Count	24
118924468	Rotatable_Bond_Count	1
10723	Mono_Isotopic_Weight	148.088815002
12553930	Covalent_Unit_Count	1
4142809	Total_Formal_Charge	0
866400	Exact_Mass	312.10225383
60529	Structure_Complexity	301
25063260	Exact_Mass	565.2013347
117065485	Covalent_Unit_Count	1
13027931	Non-hydrogen_Atom_Count	8
68469	XLogP3	2.5
3605	Molecular_Weight	865.7
58242	Undefined_Bond_Stereo_Count	0
192711	Defined_Atom_Stereo_Count	0
121601231	Total_Formal_Charge	0
46878363	Exact_Mass	276.1371335
10648	Non-hydrogen_Atom_Count	16
639420	Defined_Atom_Stereo_Count	0
73211	Covalent_Unit_Count	1
14151226	TPSA	20.3
763	Defined_Atom_Stereo_Count	0
168870	Exact_Mass	659.29888458
88525	Undefined_Atom_Stereo_Count	0
60672	Non-hydrogen_Atom_Count	30
12969	Exact_Mass	84.093900383
11228775	Molecular_Weight	111.14
21691268	Undefined_Bond_Stereo_Count	0
5978	Structure_Complexity	1750
3856	Defined_Atom_Stereo_Count	0
66342	Molecular_Weight	292.3
6917864	Undefined_Atom_Stereo_Count	0
3572	Covalent_Unit_Count	1
446727	Isotope_Atom_Count	0
5276520	Undefined_Atom_Stereo_Count	0
80972	Defined_Bond_Stereo_Count	0
151726	Non-hydrogen_Atom_Count	9
76318728	TPSA	18.5
23567810	Non-hydrogen_Atom_Count	8
542352	Exact_Mass	100.088815002
562796	Undefined_Bond_Stereo_Count	0
4004	Molecular_Weight	330.4
5077	Non-hydrogen_Atom_Count	18
5365552	Hydrogen_Bond_Acceptor_Count	0
40470	Defined_Atom_Stereo_Count	0
2683	Isotope_Atom_Count	0
152199271	Exact_Mass	112.088815002
72200166	Undefined_Atom_Stereo_Count	0
5720	Exact_Mass	298.06636548
75005	Defined_Bond_Stereo_Count	0
9548620	Defined_Bond_Stereo_Count	1
13472	Defined_Bond_Stereo_Count	0
6077	Total_Formal_Charge	0
118121642	Non-hydrogen_Atom_Count	8
439517	Mono_Isotopic_Weight	267.12190603
6572	Rotatable_Bond_Count	0
12303662	Mono_Isotopic_Weight	414.386166214
3525005	Molecular_Weight	116.11
5554	Exact_Mass	520.39164552
62705862	Total_Formal_Charge	0
345088	Undefined_Atom_Stereo_Count	0
44285029	Rotatable_Bond_Count	1
5400866	XLogP3-AA	1.6
946920	Mono_Isotopic_Weight	343.13544809
249502	Exact_Mass	192.151415257
6435463	Hydrogen_Bond_Acceptor_Count	2
16051584	Undefined_Atom_Stereo_Count	1
18776	Molecular_Weight	681.7
70390	XLogP3-AA	3.9
11403482	Non-hydrogen_Atom_Count	20
476260	XLogP3-AA	3.2
5288525	Covalent_Unit_Count	1
57131009	Hydrogen_Bond_Donor_Count	0
4223	Structure_Complexity	584
16020938	Defined_Bond_Stereo_Count	0
96780	Tautomer_Count	1
445382	Defined_Atom_Stereo_Count	5
15702063	Rotatable_Bond_Count	0
51030529	Undefined_Bond_Stereo_Count	0
10023245	Covalent_Unit_Count	1
54915	Hydrogen_Bond_Acceptor_Count	7
9546757	Undefined_Atom_Stereo_Count	0
19604274	Molecular_Weight	192.17
16224058	Undefined_Atom_Stereo_Count	0
4329	Mono_Isotopic_Weight	638.21838516
131170	Isotope_Atom_Count	0
24086	Molecular_Weight	371.4
10263	Mono_Isotopic_Weight	134.109550447
20848918	Molecular_Weight	385.03
2795222	Total_Formal_Charge	0
10255142	Covalent_Unit_Count	2
57445155	Undefined_Bond_Stereo_Count	0
17671	Structure_Complexity	206
15550385	Hydrogen_Bond_Acceptor_Count	3
9872438	Defined_Atom_Stereo_Count	0
124886	Defined_Atom_Stereo_Count	2
668390	XLogP3-AA	2
53317503	Mono_Isotopic_Weight	424.0859706
2581	Tautomer_Count	1
149697	Covalent_Unit_Count	1
618566	Defined_Atom_Stereo_Count	0
5282253	TPSA	124
88559809	XLogP3-AA	1.4
5111791	Mono_Isotopic_Weight	153.053826475
137151	Mono_Isotopic_Weight	96.057514874
5460037	Defined_Atom_Stereo_Count	14
17771	Molecular_Weight	421.75
123612613	Non-hydrogen_Atom_Count	8
7824	Rotatable_Bond_Count	5
6509979	Exact_Mass	809.4480897
5280981	Hydrogen_Bond_Donor_Count	3
442372	Undefined_Bond_Stereo_Count	0
19905962	Undefined_Bond_Stereo_Count	0
3035235	Molecular_Weight	341.4
57514051	Tautomer_Count	999
8437	Defined_Atom_Stereo_Count	0
1304	Isotope_Atom_Count	0
444863	Tautomer_Count	1
10898675	Defined_Atom_Stereo_Count	0
88006	Mono_Isotopic_Weight	193.110278721
6431038	Defined_Atom_Stereo_Count	0
12184591	Undefined_Atom_Stereo_Count	0
830713	Defined_Bond_Stereo_Count	0
155143	Defined_Atom_Stereo_Count	6
10526	XLogP3-AA	1.6
1549622	Rotatable_Bond_Count	4
61253	Structure_Complexity	269
23664980	Undefined_Bond_Stereo_Count	0
424361	Defined_Atom_Stereo_Count	0
12704953	Hydrogen_Bond_Donor_Count	2
5917	Defined_Bond_Stereo_Count	0
7220	Defined_Bond_Stereo_Count	0
163050676	Rotatable_Bond_Count	0
5280450	Total_Formal_Charge	0
70837	Hydrogen_Bond_Donor_Count	3
2939	Molecular_Weight	464.15
23427989	Mono_Isotopic_Weight	1075.72835490
54068368	Hydrogen_Bond_Donor_Count	1
7928	Undefined_Bond_Stereo_Count	0
21709689	TPSA	0
187888	Hydrogen_Bond_Acceptor_Count	4
18345891	Defined_Atom_Stereo_Count	1
13559279	Molecular_Weight	433.6
410029	Exact_Mass	308.9644758
2487	Hydrogen_Bond_Acceptor_Count	3
22717642	Undefined_Bond_Stereo_Count	0
70819549	Exact_Mass	330.13848159
14223	Undefined_Bond_Stereo_Count	0
75879	Structure_Complexity	516
74195	Molecular_Weight	266.4
449392	Rotatable_Bond_Count	4
31679	Tautomer_Count	1
124081896	Non-hydrogen_Atom_Count	40
57398253	Undefined_Atom_Stereo_Count	0
445639	Defined_Atom_Stereo_Count	0
1218	Hydrogen_Bond_Acceptor_Count	3
118978207	TPSA	20.2
16760139	TPSA	92.4
64648	Total_Formal_Charge	0
60196352	Defined_Bond_Stereo_Count	0
24483	XLogP3	5.7
70509	Exact_Mass	217.93787
443408	XLogP3	3.6
73919	Hydrogen_Bond_Donor_Count	4
47936	Tautomer_Count	2
25138049	Rotatable_Bond_Count	5
55288974	Mono_Isotopic_Weight	111.068413911
613	Molecular_Weight	867.6
71072081	Mono_Isotopic_Weight	504.1946483
68194	Undefined_Bond_Stereo_Count	0
10715582	Molecular_Weight	393.4
73707487	Defined_Bond_Stereo_Count	0
55515	Hydrogen_Bond_Donor_Count	0
129840260	Mono_Isotopic_Weight	292.05964013
46783224	Structure_Complexity	969
56055	Undefined_Bond_Stereo_Count	1
11858	Exact_Mass	164.0240218
185682	Molecular_Weight	83.09
12196274	Structure_Complexity	15.5
87599626	Defined_Bond_Stereo_Count	0
53260965	Isotope_Atom_Count	0
688510	Covalent_Unit_Count	1
6199	XLogP3-AA	2.3
128423	Mono_Isotopic_Weight	144.06088618
59648875	Structure_Complexity	113
77312	XLogP3-AA	0.9
92131803	Rotatable_Bond_Count	6
82755	Rotatable_Bond_Count	2
19375416	Defined_Atom_Stereo_Count	0
61158	Hydrogen_Bond_Donor_Count	2
31736	XLogP3	3.3
37907	Defined_Bond_Stereo_Count	0
60155273	Total_Formal_Charge	0
9831581	Defined_Bond_Stereo_Count	0
66803	Non-hydrogen_Atom_Count	19
12673114	TPSA	20.2
12529300	Molecular_Weight	97.12
57235	Defined_Atom_Stereo_Count	0
6165447	Total_Formal_Charge	0
25008120	Hydrogen_Bond_Acceptor_Count	15
517296	Total_Formal_Charge	0
1758	Structure_Complexity	356
6328152	Undefined_Atom_Stereo_Count	0
3373	Covalent_Unit_Count	1
24768019	Non-hydrogen_Atom_Count	34
137331882	Rotatable_Bond_Count	2
6925	Undefined_Bond_Stereo_Count	0
6324599	TPSA	159
117064644	Undefined_Atom_Stereo_Count	1
81760	Total_Formal_Charge	0
88318	Exact_Mass	87.104799419
21262	XLogP3	2.6
4136521	Total_Formal_Charge	0
25056	TPSA	16.1
12375523	XLogP3-AA	0.3
439255	TPSA	101
101610369	Total_Formal_Charge	0
63055	XLogP3	2.3
134693629	Defined_Bond_Stereo_Count	0
5288845	Undefined_Bond_Stereo_Count	0
24848367	Defined_Atom_Stereo_Count	0
12892785	Covalent_Unit_Count	1
289460	Defined_Bond_Stereo_Count	0
9804743	XLogP3-AA	3
15595455	Isotope_Atom_Count	0
130904	Defined_Atom_Stereo_Count	5
6249	Covalent_Unit_Count	1
88323	Hydrogen_Bond_Acceptor_Count	5
134694856	Total_Formal_Charge	0
88937798	Undefined_Atom_Stereo_Count	0
79483	Undefined_Bond_Stereo_Count	0
3032537	Rotatable_Bond_Count	3
252325	Structure_Complexity	86.2
20054967	Hydrogen_Bond_Donor_Count	1
54323318	Defined_Atom_Stereo_Count	0
542335	Rotatable_Bond_Count	3
57607	Defined_Bond_Stereo_Count	0
16217359	Rotatable_Bond_Count	0
21917397	TPSA	3.9
77807	Non-hydrogen_Atom_Count	16
30541	Defined_Bond_Stereo_Count	0
33671	Molecular_Weight	251.28
6438130	Covalent_Unit_Count	2
93205	Molecular_Weight	385.4
158638	Hydrogen_Bond_Acceptor_Count	5
3084338	Molecular_Weight	284.4
107502	Undefined_Bond_Stereo_Count	0
20653386	Molecular_Weight	108.14
18506394	Hydrogen_Bond_Acceptor_Count	2
70686982	Isotope_Atom_Count	0
31291	Defined_Atom_Stereo_Count	0
119432	TPSA	1
30843	Non-hydrogen_Atom_Count	27
18981712	TPSA	3.2
237766	Total_Formal_Charge	0
5280881	Exact_Mass	334.21440943
1024	Tautomer_Count	9
1289	Total_Formal_Charge	0
443874	Defined_Atom_Stereo_Count	3
71335	Structure_Complexity	679
15558407	Hydrogen_Bond_Donor_Count	5
74431	Molecular_Weight	269.4
7043	Covalent_Unit_Count	1
5826	Rotatable_Bond_Count	2
25123	Molecular_Weight	162.23
21516003	Undefined_Bond_Stereo_Count	0
138	Non-hydrogen_Atom_Count	8
635911	Non-hydrogen_Atom_Count	43
84921	TPSA	20.3
12298	Covalent_Unit_Count	1
23462	Defined_Atom_Stereo_Count	1
3913	Defined_Atom_Stereo_Count	0
19779961	Defined_Bond_Stereo_Count	0
9802545	Hydrogen_Bond_Acceptor_Count	7
11954009	Tautomer_Count	105
135860757	Hydrogen_Bond_Donor_Count	1
85626	Hydrogen_Bond_Donor_Count	0
86287525	Undefined_Bond_Stereo_Count	0
526	Defined_Bond_Stereo_Count	0
26383	Hydrogen_Bond_Donor_Count	1
9852176	Defined_Atom_Stereo_Count	2
77290	TPSA	52.6
5388879	Mono_Isotopic_Weight	158.845156
56841558	Isotope_Atom_Count	0
6327846	Covalent_Unit_Count	2
70400351	Non-hydrogen_Atom_Count	7
159832	Structure_Complexity	0
106428	Exact_Mass	220.1342410
14195455	XLogP3-AA	0.3
17754438	Defined_Atom_Stereo_Count	0
23199904	Total_Formal_Charge	0
11908385	Structure_Complexity	382
6578	Defined_Bond_Stereo_Count	0
6451285	Molecular_Weight	257.37
123969717	XLogP3-AA	0.6
126672220	Mono_Isotopic_Weight	111.068413911
54307258	Mono_Isotopic_Weight	102.079312947
56256	Mono_Isotopic_Weight	210.06806746
5205	Covalent_Unit_Count	1
6419719	Mono_Isotopic_Weight	101.011292958
230076	Mono_Isotopic_Weight	1084.47265329
77763	Exact_Mass	154.135765193
68845	Isotope_Atom_Count	0
86578	Hydrogen_Bond_Donor_Count	2
15825450	Molecular_Weight	98.14
509554	Covalent_Unit_Count	1
16197725	Defined_Atom_Stereo_Count	60
5284600	Total_Formal_Charge	0
135409471	Rotatable_Bond_Count	2
75357	Rotatable_Bond_Count	0
22611003	Undefined_Atom_Stereo_Count	0
37901	Defined_Atom_Stereo_Count	0
8250	Rotatable_Bond_Count	6
54477	Defined_Atom_Stereo_Count	1
154685136	Defined_Atom_Stereo_Count	0
16699	XLogP3-AA	0.3
10558611	Total_Formal_Charge	0
69275	Structure_Complexity	135
2471	Hydrogen_Bond_Donor_Count	3
12702413	Hydrogen_Bond_Donor_Count	1
11636326	Undefined_Bond_Stereo_Count	0
23276065	Mono_Isotopic_Weight	362.0144595
82400	Defined_Atom_Stereo_Count	5
23083539	Molecular_Weight	118.17
4613278	Undefined_Atom_Stereo_Count	0
19988	Structure_Complexity	462
925642	Rotatable_Bond_Count	3
11966095	Non-hydrogen_Atom_Count	85
93186	XLogP3-AA	3.4
139055434	Defined_Bond_Stereo_Count	0
7066	Non-hydrogen_Atom_Count	18
51906	Mono_Isotopic_Weight	223.12084340
537142	Defined_Atom_Stereo_Count	0
54526114	Total_Formal_Charge	0
44424639	Undefined_Atom_Stereo_Count	0
154986845	XLogP3-AA	1.1
444013	Molecular_Weight	661.8
29025	Mono_Isotopic_Weight	150.104465066
35703	Molecular_Weight	190.19
12878836	Total_Formal_Charge	0
62662	Hydrogen_Bond_Acceptor_Count	11
15707	Hydrogen_Bond_Acceptor_Count	0
8288	Isotope_Atom_Count	0
36235	Hydrogen_Bond_Donor_Count	1
129378	Structure_Complexity	205
7701	Mono_Isotopic_Weight	261.245649993
57401370	Defined_Atom_Stereo_Count	1
35781	Defined_Atom_Stereo_Count	0
16308	Rotatable_Bond_Count	1
71721420	Covalent_Unit_Count	1
14537426	Non-hydrogen_Atom_Count	7
76958691	Structure_Complexity	515
54285963	XLogP3-AA	3.6
58657603	Undefined_Atom_Stereo_Count	0
9989218	Structure_Complexity	68.6
22456671	TPSA	52
5489029	Isotope_Atom_Count	0
6956324	Hydrogen_Bond_Acceptor_Count	3
584807	TPSA	47.6
88154	Mono_Isotopic_Weight	252.17254462
9794712	Undefined_Bond_Stereo_Count	0
11979606	Exact_Mass	1348.67523164
10196758	Covalent_Unit_Count	1
44570629	Hydrogen_Bond_Donor_Count	1
20220682	Rotatable_Bond_Count	4
11400746	Isotope_Atom_Count	0
704754	Mono_Isotopic_Weight	346.17802393
6794	Covalent_Unit_Count	3
53846422	Non-hydrogen_Atom_Count	30
77014	Covalent_Unit_Count	1
69236	Total_Formal_Charge	0
71459762	Isotope_Atom_Count	0
53316418	Isotope_Atom_Count	0
10470544	Total_Formal_Charge	0
23488	Structure_Complexity	213
5798	Molecular_Weight	118.14
146156358	Non-hydrogen_Atom_Count	37
80542	Rotatable_Bond_Count	4
264891	Rotatable_Bond_Count	11
93250	Structure_Complexity	539
57357187	TPSA	86.7
23675339	Hydrogen_Bond_Acceptor_Count	7
19254	Tautomer_Count	5
70693263	Mono_Isotopic_Weight	501.1680007
55305	Rotatable_Bond_Count	4
129760006	Defined_Atom_Stereo_Count	0
2513	Molecular_Weight	138.00
16211115	Exact_Mass	169.06736854
667450	Exact_Mass	246.125594432
25010556	Total_Formal_Charge	1
45266742	Mono_Isotopic_Weight	258.03787837
15293	Undefined_Bond_Stereo_Count	0
5479052	Rotatable_Bond_Count	9
31013	Defined_Atom_Stereo_Count	0
1551136	Undefined_Bond_Stereo_Count	0
71356769	Rotatable_Bond_Count	2
70163	Mono_Isotopic_Weight	202.062994177
71398	Non-hydrogen_Atom_Count	22
64740	Non-hydrogen_Atom_Count	25
9543169	Hydrogen_Bond_Donor_Count	9
57782	Undefined_Bond_Stereo_Count	0
134694117	Undefined_Atom_Stereo_Count	1
53762327	Non-hydrogen_Atom_Count	9
13327302	Covalent_Unit_Count	1
5169	Non-hydrogen_Atom_Count	25
6973640	Undefined_Atom_Stereo_Count	0
51102	Defined_Atom_Stereo_Count	0
97523	Hydrogen_Bond_Donor_Count	3
17846631	XLogP3-AA	0.3
71172	Hydrogen_Bond_Acceptor_Count	4
11217523	Hydrogen_Bond_Acceptor_Count	2
168088	Hydrogen_Bond_Donor_Count	1
13208114	Undefined_Bond_Stereo_Count	0
18681973	TPSA	61.4
493082	Covalent_Unit_Count	1
913	Molecular_Weight	151.21
72200674	Undefined_Bond_Stereo_Count	0
67482753	Defined_Atom_Stereo_Count	0
1368742	Covalent_Unit_Count	1
27918	Hydrogen_Bond_Acceptor_Count	3
77067	Covalent_Unit_Count	2
20728717	Covalent_Unit_Count	1
55286731	Total_Formal_Charge	0
86278354	Isotope_Atom_Count	0
9297	Undefined_Bond_Stereo_Count	0
44720578	Non-hydrogen_Atom_Count	7
124246	Total_Formal_Charge	0
33112	Mono_Isotopic_Weight	224.1291556
129797817	Covalent_Unit_Count	1
71676045	Hydrogen_Bond_Acceptor_Count	10
71438255	Defined_Bond_Stereo_Count	0
3824520	TPSA	17.1
15995	Non-hydrogen_Atom_Count	16
15197399	Hydrogen_Bond_Donor_Count	1
134399	Undefined_Bond_Stereo_Count	0
10899357	Covalent_Unit_Count	1
71311337	Tautomer_Count	1
292429	Structure_Complexity	590
324379	XLogP3-AA	1.2
22062700	Defined_Atom_Stereo_Count	0
31283	Isotope_Atom_Count	0
16682993	Defined_Atom_Stereo_Count	0
21930812	Non-hydrogen_Atom_Count	9
13485	Defined_Atom_Stereo_Count	0
5287792	Hydrogen_Bond_Acceptor_Count	3
124224931	XLogP3-AA	2.1
826843	Structure_Complexity	369
1057	Exact_Mass	126.031694049
15918976	Hydrogen_Bond_Acceptor_Count	3
105084	TPSA	24.9
52936034	Defined_Bond_Stereo_Count	0
4454	Defined_Atom_Stereo_Count	0
25151352	Defined_Bond_Stereo_Count	0
69507	Molecular_Weight	260.14
655797	Defined_Bond_Stereo_Count	0
23684896	Hydrogen_Bond_Donor_Count	1
441345	Non-hydrogen_Atom_Count	30
32698	Defined_Atom_Stereo_Count	0
46930997	Defined_Bond_Stereo_Count	2
5288075	Non-hydrogen_Atom_Count	54
65114	Exact_Mass	244.08076950
93285	Isotope_Atom_Count	0
68539	Defined_Atom_Stereo_Count	0
46587	Hydrogen_Bond_Acceptor_Count	3
86472	Exact_Mass	472.39164552
53489	Hydrogen_Bond_Donor_Count	2
11315250	Structure_Complexity	527
29971	Rotatable_Bond_Count	2
123134056	Covalent_Unit_Count	2
22627013	Rotatable_Bond_Count	1
59706	Mono_Isotopic_Weight	343.21474379
5318537	Hydrogen_Bond_Acceptor_Count	10
11538502	TPSA	115
53469852	Structure_Complexity	755
3057	Non-hydrogen_Atom_Count	34
20194949	Mono_Isotopic_Weight	114.02294089
2737168	Structure_Complexity	115
131	Rotatable_Bond_Count	8
55011	Undefined_Bond_Stereo_Count	0
4057	Rotatable_Bond_Count	5
10177	XLogP3-AA	2.7
46835725	Tautomer_Count	1
18687754	Defined_Bond_Stereo_Count	0
68396089	Defined_Bond_Stereo_Count	0
4745	Structure_Complexity	388
21145806	Total_Formal_Charge	0
3299	Defined_Atom_Stereo_Count	0
4631	Covalent_Unit_Count	1
980806	Exact_Mass	426.0917247
8907	Tautomer_Count	1
15820984	Covalent_Unit_Count	3
86501	Non-hydrogen_Atom_Count	8
3641960	Rotatable_Bond_Count	1
54234844	Total_Formal_Charge	0
115268	Total_Formal_Charge	0
21668201	Mono_Isotopic_Weight	299.07700353
12701402	Undefined_Atom_Stereo_Count	2
62305	Hydrogen_Bond_Acceptor_Count	9
95400	Covalent_Unit_Count	1
5311070	Total_Formal_Charge	0
527	Hydrogen_Bond_Acceptor_Count	1
31057	Defined_Atom_Stereo_Count	0
66726979	Hydrogen_Bond_Acceptor_Count	8
7772	Hydrogen_Bond_Donor_Count	0
60196371	Covalent_Unit_Count	1
15188270	Exact_Mass	83.073499291
645691	Covalent_Unit_Count	1
10181898	Covalent_Unit_Count	1
45614	Rotatable_Bond_Count	7
6335487	Hydrogen_Bond_Acceptor_Count	7
90936519	XLogP3-AA	7.5
12746998	Covalent_Unit_Count	1
383414	Non-hydrogen_Atom_Count	71
87825887	Molecular_Weight	107.11
11431811	Total_Formal_Charge	0
57403867	Hydrogen_Bond_Acceptor_Count	10
543565	XLogP3-AA	0.6
23103366	Defined_Atom_Stereo_Count	0
133655777	Rotatable_Bond_Count	6
21152819	Undefined_Atom_Stereo_Count	2
54675830	Hydrogen_Bond_Acceptor_Count	3
21602045	Isotope_Atom_Count	0
246724	Total_Formal_Charge	0
173994	Hydrogen_Bond_Donor_Count	0
411832	Covalent_Unit_Count	1
11908490	Total_Formal_Charge	0
44144477	Non-hydrogen_Atom_Count	115
23724965	Tautomer_Count	2
84788	Isotope_Atom_Count	0
54680692	Rotatable_Bond_Count	3
68410	TPSA	40.5
81890	Molecular_Weight	88.15
4359	Undefined_Bond_Stereo_Count	0
9539	Hydrogen_Bond_Donor_Count	6
13558	Non-hydrogen_Atom_Count	9
22918788	Mono_Isotopic_Weight	88.052429494
6778	Undefined_Atom_Stereo_Count	0
37	Tautomer_Count	2
461128	Isotope_Atom_Count	0
53032	Structure_Complexity	491
71309	Molecular_Weight	523.6
91985	Molecular_Weight	96.17
13374320	Undefined_Atom_Stereo_Count	1
117217480	Undefined_Bond_Stereo_Count	0
117064644	Covalent_Unit_Count	1
8038	Hydrogen_Bond_Acceptor_Count	2
66774	Hydrogen_Bond_Acceptor_Count	3
11233	Mono_Isotopic_Weight	114.140850574
2734171	Undefined_Bond_Stereo_Count	0
21453	Total_Formal_Charge	0
12510987	Exact_Mass	98.084398327
208832	Hydrogen_Bond_Acceptor_Count	3
20790054	Defined_Atom_Stereo_Count	0
57928403	XLogP3-AA	1.9
134129703	Structure_Complexity	1700
4428	TPSA	70
24314	Exact_Mass	130.099379685
23077956	Structure_Complexity	142
51668574	Hydrogen_Bond_Donor_Count	3
21491139	TPSA	61.1
819440	Hydrogen_Bond_Acceptor_Count	3
6825	Isotope_Atom_Count	0
131709170	Molecular_Weight	1355.4
14577976	Undefined_Atom_Stereo_Count	0
50741839	Mono_Isotopic_Weight	606.22189408
23379007	Undefined_Atom_Stereo_Count	2
55748	Defined_Bond_Stereo_Count	0
10399	Molecular_Weight	114.19
7650	Rotatable_Bond_Count	5
81093	Undefined_Bond_Stereo_Count	0
21800	Total_Formal_Charge	0
135409474	Structure_Complexity	578
47297	Defined_Bond_Stereo_Count	0
53384918	Isotope_Atom_Count	0
53775252	Non-hydrogen_Atom_Count	8
3085281	Mono_Isotopic_Weight	752.77339506
7220	Mono_Isotopic_Weight	119.048347172
441923	Isotope_Atom_Count	0
94495	Undefined_Bond_Stereo_Count	0
45358040	Undefined_Bond_Stereo_Count	0
7075	Defined_Atom_Stereo_Count	0
16749605	Rotatable_Bond_Count	11
23667628	Hydrogen_Bond_Donor_Count	1
65700	Covalent_Unit_Count	1
494519	Mono_Isotopic_Weight	399.13180201
25137911	Undefined_Atom_Stereo_Count	1
521874	Mono_Isotopic_Weight	83.0137915
142403638	Rotatable_Bond_Count	1
441207	Isotope_Atom_Count	0
78723	Structure_Complexity	403
72106	Molecular_Weight	395.4
122361528	Structure_Complexity	1830
450598	Undefined_Bond_Stereo_Count	0
117072551	Exact_Mass	524.0942002
24530	Undefined_Atom_Stereo_Count	0
9823	Undefined_Bond_Stereo_Count	0
12343	Undefined_Atom_Stereo_Count	0
7757	Structure_Complexity	106
65820	TPSA	66.8
72142	Hydrogen_Bond_Acceptor_Count	4
10775424	Undefined_Bond_Stereo_Count	0
20996	TPSA	0
2232	Exact_Mass	508.24678944
25262965	Molecular_Weight	465.5
49869035	TPSA	60
16197727	Total_Formal_Charge	0
16698	Undefined_Bond_Stereo_Count	0
61785	Hydrogen_Bond_Donor_Count	1
91027594	TPSA	0
23934	Structure_Complexity	0
39198	Tautomer_Count	2
15004	Isotope_Atom_Count	0
9282	Structure_Complexity	1180
3856780	Exact_Mass	231.02800565
444698	Mono_Isotopic_Weight	393.10347926
86039889	Rotatable_Bond_Count	2
5354499	Isotope_Atom_Count	0
25079036	TPSA	512
517327	Hydrogen_Bond_Acceptor_Count	3
636397	TPSA	204
9536	Rotatable_Bond_Count	8
44259	XLogP3-AA	3.2
11684684	Molecular_Weight	496.0
18364059	Defined_Bond_Stereo_Count	0
119307	TPSA	140
62484	Isotope_Atom_Count	0
448374	Mono_Isotopic_Weight	267.09675391
11870241	Rotatable_Bond_Count	3
87081618	Defined_Atom_Stereo_Count	0
10920463	Defined_Bond_Stereo_Count	0
3246155	Structure_Complexity	433
10558601	Total_Formal_Charge	0
40896	Molecular_Weight	310.29
118855910	Structure_Complexity	151
89790337	Undefined_Atom_Stereo_Count	2
12329	Defined_Atom_Stereo_Count	0
85776583	Defined_Atom_Stereo_Count	0
5894	Structure_Complexity	364
97536	Undefined_Atom_Stereo_Count	0
56672299	Total_Formal_Charge	0
92247	Hydrogen_Bond_Acceptor_Count	1
136270342	Mono_Isotopic_Weight	99.032028402
6971016	Covalent_Unit_Count	1
2120	Hydrogen_Bond_Donor_Count	1
3849	XLogP3-AA	5.9
75690	Hydrogen_Bond_Acceptor_Count	3
8730	Undefined_Atom_Stereo_Count	0
12463	Hydrogen_Bond_Acceptor_Count	0
4678	Exact_Mass	205.13140809
1450	XLogP3	2.8
547	Hydrogen_Bond_Donor_Count	3
160078	Structure_Complexity	1560
270563	Mono_Isotopic_Weight	219.98876
3033825	Non-hydrogen_Atom_Count	21
21702776	Non-hydrogen_Atom_Count	8
54693468	Hydrogen_Bond_Acceptor_Count	6
889896	Structure_Complexity	423
135506152	Molecular_Weight	112.09
6603759	Structure_Complexity	380
11271	Molecular_Weight	114.19
47289	Hydrogen_Bond_Acceptor_Count	5
40753	Hydrogen_Bond_Acceptor_Count	4
71624469	Hydrogen_Bond_Acceptor_Count	4
66383	Undefined_Bond_Stereo_Count	0
216712	Mono_Isotopic_Weight	332.03929861
25600	Exact_Mass	193.05613515
124005380	Mono_Isotopic_Weight	110.109550447
10251	Total_Formal_Charge	0
123618563	Hydrogen_Bond_Donor_Count	0
449123	Molecular_Weight	674.7
21940	Defined_Bond_Stereo_Count	0
11378454	Defined_Bond_Stereo_Count	0
9889867	Structure_Complexity	669
9893228	Defined_Atom_Stereo_Count	0
88314418	Rotatable_Bond_Count	8
9934507	Molecular_Weight	377.5
57358267	Defined_Bond_Stereo_Count	0
129010024	Undefined_Atom_Stereo_Count	0
2781	Structure_Complexity	376
45484851	Molecular_Weight	419.7
47640	Hydrogen_Bond_Acceptor_Count	1
54258195	Molecular_Weight	105.14
90617	Undefined_Atom_Stereo_Count	0
3264839	Defined_Atom_Stereo_Count	0
71206	Defined_Bond_Stereo_Count	0
20502	TPSA	46.7
15458	Molecular_Weight	128.17
123789923	Hydrogen_Bond_Donor_Count	0
3045375	Structure_Complexity	816
453915	Hydrogen_Bond_Donor_Count	0
12314120	Mono_Isotopic_Weight	548.29853298
13159184	Defined_Bond_Stereo_Count	0
556722	Isotope_Atom_Count	0
72163100	Covalent_Unit_Count	1
84481	TPSA	73.3
53151	TPSA	62.1
23995	Rotatable_Bond_Count	0
11862	Total_Formal_Charge	0
7570	Hydrogen_Bond_Acceptor_Count	4
21455617	Undefined_Atom_Stereo_Count	0
5474229	Undefined_Bond_Stereo_Count	0
15765799	Isotope_Atom_Count	0
64966	Rotatable_Bond_Count	3
10111264	Exact_Mass	394.0832680
3034351	Total_Formal_Charge	0
11338127	Undefined_Atom_Stereo_Count	0
68901306	Covalent_Unit_Count	1
12984	Covalent_Unit_Count	1
53784322	TPSA	20.2
4691	XLogP3-AA	3.5
21562395	Rotatable_Bond_Count	2
15559706	Hydrogen_Bond_Donor_Count	0
23381756	Undefined_Atom_Stereo_Count	0
46206294	Hydrogen_Bond_Acceptor_Count	5
7850	XLogP3-AA	1.5
8192	Hydrogen_Bond_Donor_Count	0
10777574	Hydrogen_Bond_Acceptor_Count	3
69975	Defined_Atom_Stereo_Count	0
284161	Hydrogen_Bond_Donor_Count	2
70754	Rotatable_Bond_Count	0
20749	TPSA	0
12242916	Hydrogen_Bond_Acceptor_Count	0
16682839	Defined_Bond_Stereo_Count	0
20395	Rotatable_Bond_Count	8
96600	Hydrogen_Bond_Acceptor_Count	4
10138259	Hydrogen_Bond_Acceptor_Count	6
247839	Tautomer_Count	15
28417	TPSA	46.3
197341	Defined_Bond_Stereo_Count	0
33	Isotope_Atom_Count	0
46244454	Hydrogen_Bond_Donor_Count	1
70695759	Defined_Atom_Stereo_Count	0
129864962	Structure_Complexity	399
10898638	Exact_Mass	84.057514874
12387212	Undefined_Bond_Stereo_Count	0
5458497	Undefined_Bond_Stereo_Count	0
36559	Hydrogen_Bond_Donor_Count	0
68512	Hydrogen_Bond_Donor_Count	2
6558	Hydrogen_Bond_Acceptor_Count	1
283813	TPSA	29.1
97113	Hydrogen_Bond_Acceptor_Count	3
2778	Non-hydrogen_Atom_Count	49
5254	Isotope_Atom_Count	0
5364901	Defined_Bond_Stereo_Count	0
87386545	Hydrogen_Bond_Donor_Count	2
9465	Exact_Mass	183.06955672
22234	Isotope_Atom_Count	0
637776	Hydrogen_Bond_Donor_Count	0
4201	Undefined_Atom_Stereo_Count	0
96135	Total_Formal_Charge	0
7	XLogP3	0.2
57054	TPSA	251
60478	Exact_Mass	312.0665554
89300333	Structure_Complexity	111
317457	Defined_Bond_Stereo_Count	0
22222152	Hydrogen_Bond_Donor_Count	0
6273649	Undefined_Atom_Stereo_Count	0
165491	Molecular_Weight	665.4
14168316	Isotope_Atom_Count	0
54076653	Undefined_Bond_Stereo_Count	0
2383	Undefined_Atom_Stereo_Count	0
25015677	Mono_Isotopic_Weight	543.27694433
6917857	Total_Formal_Charge	0
963289	Hydrogen_Bond_Acceptor_Count	3
71517868	Defined_Atom_Stereo_Count	1
637796	Undefined_Atom_Stereo_Count	0
91347456	Rotatable_Bond_Count	1
410702	Non-hydrogen_Atom_Count	18
68667	Defined_Bond_Stereo_Count	0
87310	Tautomer_Count	1
53834604	TPSA	18.5
21702770	Undefined_Bond_Stereo_Count	0
68647	Exact_Mass	329.1294900
138844	Hydrogen_Bond_Donor_Count	1
436543	Exact_Mass	223.136099547
154552978	Defined_Atom_Stereo_Count	0
13240378	Rotatable_Bond_Count	3
5351447	TPSA	124
9954114	Defined_Atom_Stereo_Count	0
43331	Defined_Atom_Stereo_Count	0
14273	Non-hydrogen_Atom_Count	8
129653817	Non-hydrogen_Atom_Count	9
147919783	Isotope_Atom_Count	0
95934	Total_Formal_Charge	0
71433	Defined_Bond_Stereo_Count	0
44586930	Covalent_Unit_Count	1
131695	Rotatable_Bond_Count	6
68601	Undefined_Bond_Stereo_Count	0
7048801	Rotatable_Bond_Count	3
10252	Hydrogen_Bond_Donor_Count	2
59567216	Undefined_Atom_Stereo_Count	0
76280	TPSA	23.8
55285553	Exact_Mass	101.084063974
20132002	Hydrogen_Bond_Donor_Count	1
66323	Molecular_Weight	199.59
86821	TPSA	20.2
6917852	Mono_Isotopic_Weight	662.0800515
193214	Defined_Atom_Stereo_Count	0
12268621	Undefined_Bond_Stereo_Count	0
44249711	Defined_Atom_Stereo_Count	0
56518	Total_Formal_Charge	0
10772946	Defined_Bond_Stereo_Count	0
46231556	Defined_Atom_Stereo_Count	0
18364965	Isotope_Atom_Count	0
96517	Tautomer_Count	5
5320128	Non-hydrogen_Atom_Count	16
9886	Undefined_Bond_Stereo_Count	0
21887872	Covalent_Unit_Count	2
19883347	Exact_Mass	101.084063974
154404053	Defined_Atom_Stereo_Count	0
2400	Exact_Mass	341.116426730
3000668	Mono_Isotopic_Weight	305.16270821
5282483	Exact_Mass	506.1173245
10700	Defined_Atom_Stereo_Count	0
55263	Molecular_Weight	217.22
71719928	Rotatable_Bond_Count	18
28561	TPSA	80
76228	Defined_Bond_Stereo_Count	0
561488	Total_Formal_Charge	0
69819	Covalent_Unit_Count	1
96379	Rotatable_Bond_Count	6
222572	TPSA	23.6
24860548	Total_Formal_Charge	0
7158	Undefined_Bond_Stereo_Count	0
439530	Total_Formal_Charge	0
85743571	Undefined_Bond_Stereo_Count	0
16760374	Exact_Mass	636.12921216
69705	Structure_Complexity	95.7
22123753	Rotatable_Bond_Count	4
11543	Defined_Bond_Stereo_Count	0
15904	Defined_Atom_Stereo_Count	0
135413518	Total_Formal_Charge	0
44395089	Exact_Mass	597.30635275
519418	Hydrogen_Bond_Acceptor_Count	1
718618	Isotope_Atom_Count	0
10199	Structure_Complexity	155
5282165	Structure_Complexity	1390
49057	XLogP3-AA	3.8
13163928	Exact_Mass	112.052429494
3662392	Defined_Bond_Stereo_Count	0
83444	Exact_Mass	242.123925117
44339136	TPSA	150
44590403	Covalent_Unit_Count	1
5355858	TPSA	26.3
5459765	Isotope_Atom_Count	0
656013	Undefined_Atom_Stereo_Count	0
354785	Structure_Complexity	310
151348	Total_Formal_Charge	0
138663	Total_Formal_Charge	0
60838	Rotatable_Bond_Count	5
10334	Isotope_Atom_Count	0
2881	Undefined_Atom_Stereo_Count	0
20710	Molecular_Weight	305.4
89077	Undefined_Atom_Stereo_Count	0
116047519	Mono_Isotopic_Weight	113.084063974
9100	Covalent_Unit_Count	1
59703138	Hydrogen_Bond_Acceptor_Count	4
3336	Covalent_Unit_Count	1
123417941	Undefined_Atom_Stereo_Count	0
9859094	Molecular_Weight	204.35
87985965	Non-hydrogen_Atom_Count	8
2529	Covalent_Unit_Count	3
71653	Defined_Atom_Stereo_Count	0
11993	TPSA	0
85924947	Defined_Bond_Stereo_Count	0
6881	Tautomer_Count	4
151093	Defined_Bond_Stereo_Count	0
90495	Defined_Bond_Stereo_Count	0
636345	Mono_Isotopic_Weight	880.1479789
12734569	Defined_Bond_Stereo_Count	0
162246	Mono_Isotopic_Weight	504.32983310
21880519	Mono_Isotopic_Weight	144.151415257
53422654	Total_Formal_Charge	0
20138	Isotope_Atom_Count	0
11741	TPSA	94.6
60702533	Covalent_Unit_Count	1
6288	Defined_Atom_Stereo_Count	2
5481350	Isotope_Atom_Count	0
16155603	Rotatable_Bond_Count	65
23964	Undefined_Bond_Stereo_Count	0
4320774	XLogP3-AA	3.1
136591997	Non-hydrogen_Atom_Count	7
112711235	Structure_Complexity	77.7
6723	XLogP3-AA	0.1
644020	Exact_Mass	234.209598838
22052176	Hydrogen_Bond_Donor_Count	1
939	Exact_Mass	335.06442747
11779772	Covalent_Unit_Count	2
11849	Covalent_Unit_Count	1
73665	TPSA	47.4
6410734	Molecular_Weight	351.8
2783176	Mono_Isotopic_Weight	115.02335542
5310969	Rotatable_Bond_Count	3
524954	Covalent_Unit_Count	1
229932	Undefined_Atom_Stereo_Count	0
89185	Covalent_Unit_Count	1
88133875	Structure_Complexity	75.7
8859	Total_Formal_Charge	0
123400934	Mono_Isotopic_Weight	106.078250319
10441670	Structure_Complexity	77.7
121207425	TPSA	26.3
12383778	Defined_Atom_Stereo_Count	0
461128	Structure_Complexity	666
21325324	Structure_Complexity	94.5
3034394	Rotatable_Bond_Count	4
6433154	TPSA	43.4
11628328	Structure_Complexity	962
6917974	Undefined_Atom_Stereo_Count	0
87020	XLogP3	1.3
97919	Undefined_Atom_Stereo_Count	1
446600	Non-hydrogen_Atom_Count	23
664338	XLogP3-AA	4.8
147201521	Molecular_Weight	113.20
9865961	Covalent_Unit_Count	1
20055342	Total_Formal_Charge	0
51017507	Structure_Complexity	2330
71306404	Structure_Complexity	14000
259577	Covalent_Unit_Count	1
88440820	Non-hydrogen_Atom_Count	7
14685	Defined_Bond_Stereo_Count	0
72158	Undefined_Atom_Stereo_Count	1
44427888	Non-hydrogen_Atom_Count	50
185914	Isotope_Atom_Count	0
3073200	Isotope_Atom_Count	0
124870720	Molecular_Weight	875.1
291730	Hydrogen_Bond_Acceptor_Count	8
23675321	Mono_Isotopic_Weight	418.02692283
6432746	Covalent_Unit_Count	1
37137	Hydrogen_Bond_Acceptor_Count	9
143588	Rotatable_Bond_Count	1
131845588	Defined_Atom_Stereo_Count	0
8894	Non-hydrogen_Atom_Count	6
8372	Undefined_Bond_Stereo_Count	0
47357	Hydrogen_Bond_Acceptor_Count	4
98694	Undefined_Bond_Stereo_Count	0
5672	Undefined_Atom_Stereo_Count	8
52942478	Covalent_Unit_Count	1
24843	Isotope_Atom_Count	0
5279171	Structure_Complexity	634
176448	XLogP3-AA	0.6
22611874	Total_Formal_Charge	0
25142700	Undefined_Atom_Stereo_Count	0
3667129	Rotatable_Bond_Count	2
97617	Defined_Bond_Stereo_Count	0
6956382	Covalent_Unit_Count	1
6438028	Non-hydrogen_Atom_Count	28
358	Total_Formal_Charge	0
85912645	Molecular_Weight	98.10
20653	Covalent_Unit_Count	1
36209	Exact_Mass	200.237824961
6299	XLogP3	6.4
517859	Non-hydrogen_Atom_Count	8
66376	Mono_Isotopic_Weight	132.90591
13691769	XLogP3-AA	1.1
3191	Mono_Isotopic_Weight	469.298079487
25015107	Structure_Complexity	635
601577	Hydrogen_Bond_Acceptor_Count	2
21914607	Molecular_Weight	99.17
57131110	Structure_Complexity	179
20524	Exact_Mass	118.099379685
155346	Hydrogen_Bond_Acceptor_Count	4
18442762	Hydrogen_Bond_Acceptor_Count	2
5284499	Tautomer_Count	1
24848191	Rotatable_Bond_Count	3
71449585	Structure_Complexity	611
129627691	Undefined_Bond_Stereo_Count	0
1470718	Defined_Atom_Stereo_Count	0
13789	Hydrogen_Bond_Donor_Count	0
74362	Non-hydrogen_Atom_Count	13
120741	Hydrogen_Bond_Donor_Count	1
65996	Mono_Isotopic_Weight	330.267113712
1044	Mono_Isotopic_Weight	120.043596145
37037	Molecular_Weight	395.3
41870	Molecular_Weight	280.28
15983809	Defined_Atom_Stereo_Count	0
141201	TPSA	0
6101	Mono_Isotopic_Weight	172.01941529
26462	Total_Formal_Charge	0
86873	Undefined_Atom_Stereo_Count	1
17948845	Hydrogen_Bond_Acceptor_Count	3
3400	Isotope_Atom_Count	0
8499	Undefined_Bond_Stereo_Count	0
3000346	Hydrogen_Bond_Donor_Count	3
141037332	Molecular_Weight	93.13
6434217	Undefined_Atom_Stereo_Count	2
347476	Structure_Complexity	70.9
196672	Defined_Atom_Stereo_Count	5
20550156	Rotatable_Bond_Count	1
146540	Exact_Mass	194.0377538
126961192	Rotatable_Bond_Count	11
1	Tautomer_Count	1
122222714	Undefined_Atom_Stereo_Count	2
70339927	Non-hydrogen_Atom_Count	6
84930	Isotope_Atom_Count	0
102390049	Non-hydrogen_Atom_Count	25
4612	Hydrogen_Bond_Acceptor_Count	5
61789	Total_Formal_Charge	0
2724411	Defined_Bond_Stereo_Count	0
92781	Hydrogen_Bond_Acceptor_Count	6
75931	Mono_Isotopic_Weight	400.287849157
12284866	Structure_Complexity	64
6419933	Defined_Atom_Stereo_Count	38
54084075	Hydrogen_Bond_Acceptor_Count	7
71971	Tautomer_Count	1
137249786	Structure_Complexity	1140
89753	Rotatable_Bond_Count	8
51371222	Hydrogen_Bond_Acceptor_Count	6
67636	TPSA	62.8
10080379	Defined_Atom_Stereo_Count	0
12855889	Structure_Complexity	1950
9650	Exact_Mass	260.11609238
23615430	Non-hydrogen_Atom_Count	16
68322085	Molecular_Weight	341.4
9854073	Structure_Complexity	1690
54144952	Structure_Complexity	119
21973769	Isotope_Atom_Count	0
65484	Isotope_Atom_Count	0
42608159	Undefined_Atom_Stereo_Count	1
14714356	TPSA	9.2
557579	Undefined_Bond_Stereo_Count	0
25023837	Molecular_Weight	430.8
88729	Total_Formal_Charge	0
214339	Rotatable_Bond_Count	2
10176120	Defined_Bond_Stereo_Count	0
103	Hydrogen_Bond_Donor_Count	11
6950	Undefined_Atom_Stereo_Count	1
30529	Molecular_Weight	227.5
10246701	Molecular_Weight	341.4
44516953	Non-hydrogen_Atom_Count	45
13050832	Undefined_Bond_Stereo_Count	0
6992089	Exact_Mass	132.05349212
53389	TPSA	20.2
18728952	Hydrogen_Bond_Acceptor_Count	2
1331	Defined_Atom_Stereo_Count	0
23317073	Rotatable_Bond_Count	1
142765305	Undefined_Atom_Stereo_Count	0
69644	Defined_Bond_Stereo_Count	0
13867124	Undefined_Bond_Stereo_Count	0
649217	Non-hydrogen_Atom_Count	36
131705644	Total_Formal_Charge	0
157820065	Covalent_Unit_Count	1
667468	XLogP3	4.3
10250607	Defined_Bond_Stereo_Count	0
9548659	Isotope_Atom_Count	0
12509715	Hydrogen_Bond_Acceptor_Count	1
129722292	Defined_Atom_Stereo_Count	0
17572266	Covalent_Unit_Count	1
16734	Tautomer_Count	1
21715653	Undefined_Bond_Stereo_Count	0
6533629	Molecular_Weight	383.4
4666	Defined_Bond_Stereo_Count	0
14264	Undefined_Bond_Stereo_Count	0
88983603	Exact_Mass	100.088815002
4711	Undefined_Bond_Stereo_Count	0
9795547	Non-hydrogen_Atom_Count	20
67553	Hydrogen_Bond_Acceptor_Count	1
26038	Undefined_Atom_Stereo_Count	0
5460221	Exact_Mass	281.248055291
145754	Hydrogen_Bond_Donor_Count	3
10975450	Undefined_Atom_Stereo_Count	0
26514	Defined_Atom_Stereo_Count	0
43834223	Undefined_Bond_Stereo_Count	0
91526	TPSA	65.6
21675633	TPSA	9.2
21258259	Undefined_Atom_Stereo_Count	0
6896	Undefined_Bond_Stereo_Count	0
59918	Defined_Bond_Stereo_Count	0
7824	Covalent_Unit_Count	1
159190124	Exact_Mass	1201.84136802
57514685	Exact_Mass	684.01028135
13166771	Hydrogen_Bond_Donor_Count	0
54521625	Molecular_Weight	112.13
22565	XLogP3-AA	3.1
441082	Isotope_Atom_Count	0
123332	Total_Formal_Charge	1
135177116	Covalent_Unit_Count	1
77662	Structure_Complexity	170
90990	Hydrogen_Bond_Donor_Count	0
442027	Defined_Bond_Stereo_Count	0
182176	Mono_Isotopic_Weight	239.15214353
682529	Undefined_Bond_Stereo_Count	0
6539017	XLogP3-AA	3
5282375	Undefined_Atom_Stereo_Count	0
123134032	Structure_Complexity	953
9300	Molecular_Weight	291.71
634876	Total_Formal_Charge	0
91240583	Hydrogen_Bond_Donor_Count	2
17884	XLogP3-AA	3.4
10517	Total_Formal_Charge	0
89364481	Non-hydrogen_Atom_Count	8
5365589	Isotope_Atom_Count	0
25058197	Hydrogen_Bond_Donor_Count	1
2756017	Undefined_Bond_Stereo_Count	0
44431182	TPSA	137
16850	Exact_Mass	332.06847348
50587	Molecular_Weight	679.8
45266908	Rotatable_Bond_Count	9
5509	Defined_Atom_Stereo_Count	0
51038316	Defined_Bond_Stereo_Count	1
71225	Undefined_Atom_Stereo_Count	1
71311162	Defined_Bond_Stereo_Count	0
60503	Hydrogen_Bond_Acceptor_Count	2
129866077	TPSA	286
71024610	Hydrogen_Bond_Donor_Count	8
102019	Tautomer_Count	2
11344362	Covalent_Unit_Count	1
4159	Exact_Mass	374.20932405
6926437	Hydrogen_Bond_Acceptor_Count	3
24892842	Molecular_Weight	339.5
248898	XLogP3-AA	1.8
53886733	Defined_Atom_Stereo_Count	0
69318	TPSA	35.8
25171607	TPSA	86
6035169	Rotatable_Bond_Count	2
22149470	Mono_Isotopic_Weight	100.100048391
160523	Covalent_Unit_Count	3
3440	Total_Formal_Charge	0
9961469	Non-hydrogen_Atom_Count	40
11574877	Defined_Bond_Stereo_Count	0
6096207	Defined_Bond_Stereo_Count	0
11953887	Tautomer_Count	80
92299	Total_Formal_Charge	0
24771766	Rotatable_Bond_Count	0
122198135	Structure_Complexity	987
19944	Hydrogen_Bond_Donor_Count	0
235269	XLogP3-AA	2.2
9982	Molecular_Weight	163.26
6918537	Exact_Mass	303.19467705
3325	TPSA	238
52361	Defined_Atom_Stereo_Count	0
19041	Isotope_Atom_Count	0
49857672	Covalent_Unit_Count	1
68194	XLogP3	0.5
11507658	TPSA	64.6
23678874	Undefined_Bond_Stereo_Count	0
529	TPSA	104
638132	Isotope_Atom_Count	0
3388710	Exact_Mass	115.00918496
60867	XLogP3-AA	2.3
91895934	Hydrogen_Bond_Acceptor_Count	9
70769	TPSA	17.8
81421	Defined_Bond_Stereo_Count	0
5281718	Undefined_Bond_Stereo_Count	0
9973981	XLogP3-AA	3.6
60196380	Undefined_Bond_Stereo_Count	0
21768	Non-hydrogen_Atom_Count	11
5758	TPSA	37.3
139256539	Defined_Atom_Stereo_Count	5
6328174	Defined_Atom_Stereo_Count	0
23434540	Structure_Complexity	76.8
129852452	Covalent_Unit_Count	1
15797	Undefined_Atom_Stereo_Count	0
135434911	Hydrogen_Bond_Acceptor_Count	5
99894	Rotatable_Bond_Count	2
6321422	Undefined_Atom_Stereo_Count	0
83151608	TPSA	20.2
853433	Hydrogen_Bond_Donor_Count	1
2064030	Hydrogen_Bond_Acceptor_Count	1
132980	Structure_Complexity	748
32597	Structure_Complexity	290
21255899	Isotope_Atom_Count	0
71115	Undefined_Bond_Stereo_Count	0
15566028	Hydrogen_Bond_Donor_Count	2
18139	Undefined_Bond_Stereo_Count	0
22607060	Hydrogen_Bond_Donor_Count	0
163319916	TPSA	0
61868	Mono_Isotopic_Weight	118.099379685
32872	Hydrogen_Bond_Acceptor_Count	6
19354533	Covalent_Unit_Count	1
7079	Molecular_Weight	269.29
50516	Hydrogen_Bond_Donor_Count	1
91881846	Rotatable_Bond_Count	7
7701	Undefined_Atom_Stereo_Count	0
87114	Undefined_Bond_Stereo_Count	0
15932798	Isotope_Atom_Count	0
14919824	Exact_Mass	114.068079557
62334	Isotope_Atom_Count	0
4340561	Rotatable_Bond_Count	2
17918606	Rotatable_Bond_Count	1
444732	Defined_Bond_Stereo_Count	2
13519	Undefined_Atom_Stereo_Count	1
60209582	TPSA	75.7
35766	Total_Formal_Charge	0
238498	Non-hydrogen_Atom_Count	11
117616350	Defined_Atom_Stereo_Count	6
12471321	Undefined_Atom_Stereo_Count	2
9954410	Hydrogen_Bond_Donor_Count	1
68416	Exact_Mass	285.99530
193720	Undefined_Bond_Stereo_Count	0
10460941	Molecular_Weight	584.7
8892	Undefined_Bond_Stereo_Count	0
36660	Total_Formal_Charge	0
54369	Covalent_Unit_Count	1
168625	Non-hydrogen_Atom_Count	12
99478	Hydrogen_Bond_Acceptor_Count	5
23599502	Mono_Isotopic_Weight	312.12963444
72441	TPSA	144
14205677	Defined_Bond_Stereo_Count	0
130553	Total_Formal_Charge	0
23000709	Mono_Isotopic_Weight	99.043261792
22175060	Hydrogen_Bond_Donor_Count	2
16213640	Defined_Bond_Stereo_Count	0
131698851	Non-hydrogen_Atom_Count	51
192435	Defined_Atom_Stereo_Count	10
12510987	Rotatable_Bond_Count	3
67621	XLogP3-AA	2.8
3086172	TPSA	59.3
101365706	Covalent_Unit_Count	1
22676885	Total_Formal_Charge	0
155893809	Defined_Bond_Stereo_Count	0
123924	TPSA	36
827902	Hydrogen_Bond_Acceptor_Count	3
577543	Hydrogen_Bond_Donor_Count	1
57415441	Hydrogen_Bond_Donor_Count	1
13558	Molecular_Weight	128.25
118209817	Undefined_Atom_Stereo_Count	0
156618027	Hydrogen_Bond_Donor_Count	8
13413802	Molecular_Weight	113.16
177739	Defined_Bond_Stereo_Count	0
24090	TPSA	0
12431565	Mono_Isotopic_Weight	98.073164938
5289418	Covalent_Unit_Count	1
6182	Defined_Atom_Stereo_Count	0
44295739	Hydrogen_Bond_Acceptor_Count	8
13244249	Isotope_Atom_Count	0
6668	Isotope_Atom_Count	0
6640	XLogP3	1.9
13925	Hydrogen_Bond_Donor_Count	1
43262	Undefined_Atom_Stereo_Count	1
72402	Mono_Isotopic_Weight	363.12190603
135823198	Undefined_Atom_Stereo_Count	1
4285	TPSA	43.7
1376	Defined_Bond_Stereo_Count	0
9371	Defined_Bond_Stereo_Count	0
71795	Defined_Atom_Stereo_Count	2
6380	Undefined_Bond_Stereo_Count	0
153812620	Covalent_Unit_Count	1
16129665	Undefined_Bond_Stereo_Count	0
3033860	Defined_Bond_Stereo_Count	1
14238	Defined_Atom_Stereo_Count	0
138319323	Total_Formal_Charge	0
78973	Total_Formal_Charge	0
16698	Exact_Mass	298.97249195
109195	Defined_Bond_Stereo_Count	0
137643	Undefined_Atom_Stereo_Count	0
79680	Non-hydrogen_Atom_Count	7
59189059	Covalent_Unit_Count	1
246571	Hydrogen_Bond_Donor_Count	0
18766934	Undefined_Atom_Stereo_Count	2
165363121	Non-hydrogen_Atom_Count	19
44571150	Non-hydrogen_Atom_Count	31
24916941	Undefined_Bond_Stereo_Count	0
4250936	Rotatable_Bond_Count	0
321710	TPSA	29.1
77875900	Defined_Bond_Stereo_Count	0
132939819	Mono_Isotopic_Weight	181.06674293
408	TPSA	33.2
1792	Undefined_Atom_Stereo_Count	0
35898	Hydrogen_Bond_Acceptor_Count	3
71782	Rotatable_Bond_Count	5
14831302	Defined_Bond_Stereo_Count	0
19858611	Total_Formal_Charge	0
272833	Mono_Isotopic_Weight	364.10929292
2763750	Undefined_Atom_Stereo_Count	0
17898580	Hydrogen_Bond_Acceptor_Count	2
33733	Covalent_Unit_Count	1
137550	Undefined_Atom_Stereo_Count	0
4898	Total_Formal_Charge	0
8408	Undefined_Bond_Stereo_Count	0
134495	Rotatable_Bond_Count	6
60196296	Defined_Atom_Stereo_Count	0
524653	Mono_Isotopic_Weight	98.109550447
128229	Exact_Mass	822.40378589
101989	Defined_Atom_Stereo_Count	7
6918939	Hydrogen_Bond_Donor_Count	2
38252	Tautomer_Count	1
119083374	Rotatable_Bond_Count	0
4255874	Covalent_Unit_Count	3
3018598	Isotope_Atom_Count	0
32051	Structure_Complexity	0
3365553	Molecular_Weight	87.12
20253	Non-hydrogen_Atom_Count	13
171284	Mono_Isotopic_Weight	582.20608914
102358067	Defined_Atom_Stereo_Count	0
69610	Covalent_Unit_Count	1
3865	Undefined_Bond_Stereo_Count	0
749560	Covalent_Unit_Count	1
11623676	Mono_Isotopic_Weight	305.152812238
19083150	Non-hydrogen_Atom_Count	11
122415	Covalent_Unit_Count	1
101739878	Total_Formal_Charge	0
375912	Rotatable_Bond_Count	1
12659781	TPSA	12.5
9860946	Mono_Isotopic_Weight	295.157228913
7526	Undefined_Bond_Stereo_Count	0
94904	Rotatable_Bond_Count	0
12200728	Undefined_Atom_Stereo_Count	0
10678193	Non-hydrogen_Atom_Count	7
483	Isotope_Atom_Count	0
137727	Exact_Mass	78.0469501914
86369	Hydrogen_Bond_Donor_Count	1
6	Structure_Complexity	224
18671478	Rotatable_Bond_Count	1
22760862	Isotope_Atom_Count	0
18347297	Undefined_Atom_Stereo_Count	0
21786	Defined_Atom_Stereo_Count	0
63825	Non-hydrogen_Atom_Count	24
1483	Non-hydrogen_Atom_Count	10
2871	Exact_Mass	362.0144595
11717025	Structure_Complexity	451
16213460	Defined_Atom_Stereo_Count	0
129009974	Defined_Atom_Stereo_Count	12
74030550	Molecular_Weight	2002.2
88212048	Defined_Bond_Stereo_Count	0
29739	Undefined_Bond_Stereo_Count	0
11722	Non-hydrogen_Atom_Count	5
1736	Hydrogen_Bond_Donor_Count	3
10176084	Hydrogen_Bond_Donor_Count	1
63089	Hydrogen_Bond_Donor_Count	0
50989756	Defined_Atom_Stereo_Count	0
71661158	Defined_Bond_Stereo_Count	0
160556	Defined_Bond_Stereo_Count	0
443115	Undefined_Atom_Stereo_Count	0
20665999	Covalent_Unit_Count	1
42642648	Hydrogen_Bond_Acceptor_Count	8
133429	Covalent_Unit_Count	1
95978	Non-hydrogen_Atom_Count	12
1712094	Undefined_Bond_Stereo_Count	0
46212	Total_Formal_Charge	0
15877745	XLogP3-AA	1.5
130165	Total_Formal_Charge	0
20591	XLogP3-AA	1.1
9693	Hydrogen_Bond_Acceptor_Count	3
6452830	TPSA	20.2
44237360	Undefined_Bond_Stereo_Count	0
16213546	Mono_Isotopic_Weight	180.06338810
13134	Molecular_Weight	126.05
58375	Rotatable_Bond_Count	5
34698	Total_Formal_Charge	0
60285	Total_Formal_Charge	0
568	Hydrogen_Bond_Donor_Count	0
22058225	Undefined_Atom_Stereo_Count	2
980	Mono_Isotopic_Weight	139.026943022
24916897	Defined_Bond_Stereo_Count	0
67873	TPSA	0
20516966	Defined_Bond_Stereo_Count	0
9934643	Non-hydrogen_Atom_Count	34
115034	Tautomer_Count	1
11715169	Structure_Complexity	139
8924	Exact_Mass	215.236147938
3463	Total_Formal_Charge	0
71464121	Undefined_Atom_Stereo_Count	0
75714	Exact_Mass	115.063328530
11250029	Mono_Isotopic_Weight	569.26381923
3085389	Undefined_Atom_Stereo_Count	1
28532	Hydrogen_Bond_Acceptor_Count	4
5749	Rotatable_Bond_Count	9
98882	Undefined_Atom_Stereo_Count	0
3052762	Undefined_Atom_Stereo_Count	0
668081	Non-hydrogen_Atom_Count	24
1032	Defined_Atom_Stereo_Count	0
234117	Total_Formal_Charge	0
20722789	Exact_Mass	120.043596145
91754	Undefined_Bond_Stereo_Count	0
19375004	TPSA	35.3
250629	Rotatable_Bond_Count	0
12705074	Undefined_Bond_Stereo_Count	0
96302	Covalent_Unit_Count	1
5311333	Tautomer_Count	1
104865206	Defined_Atom_Stereo_Count	0
131634907	Molecular_Weight	2083.9
91433828	XLogP3-AA	4
44145008	Molecular_Weight	146.23
12509715	Isotope_Atom_Count	0
5268	Defined_Atom_Stereo_Count	0
6852128	Undefined_Atom_Stereo_Count	0
146014417	Covalent_Unit_Count	3
14675	Structure_Complexity	363
66968933	TPSA	52.3
13490845	Undefined_Bond_Stereo_Count	0
163276613	Isotope_Atom_Count	0
2849	Rotatable_Bond_Count	11
9821	Total_Formal_Charge	0
42552713	Defined_Atom_Stereo_Count	10
23262897	Rotatable_Bond_Count	1
2683	XLogP3-AA	8.7
41191	Defined_Bond_Stereo_Count	0
676399	Mono_Isotopic_Weight	284.11609238
149164080	Hydrogen_Bond_Acceptor_Count	1
12755803	Rotatable_Bond_Count	3
107952	Structure_Complexity	286
18177	Defined_Bond_Stereo_Count	0
33637	Hydrogen_Bond_Donor_Count	0
10093379	Undefined_Bond_Stereo_Count	0
75994	Defined_Atom_Stereo_Count	0
10138260	TPSA	107
119098022	Covalent_Unit_Count	1
18684078	Defined_Bond_Stereo_Count	1
136875	XLogP3-AA	0.7
3720856	Mono_Isotopic_Weight	202.04639011
443939	TPSA	206
42552713	Total_Formal_Charge	0
524766	Molecular_Weight	95.14
108223	Mono_Isotopic_Weight	164.06847348
62253	TPSA	27.7
65902	Molecular_Weight	512.6
24867465	Total_Formal_Charge	0
11199	Defined_Atom_Stereo_Count	0
6603820	TPSA	52.5
156076150	Undefined_Bond_Stereo_Count	0
76403	Undefined_Atom_Stereo_Count	0
6042	Covalent_Unit_Count	2
71970	Covalent_Unit_Count	1
120826	XLogP3-AA	1.1
2761399	Hydrogen_Bond_Donor_Count	1
55710	Isotope_Atom_Count	0
51030898	Undefined_Bond_Stereo_Count	0
31651	Defined_Bond_Stereo_Count	0
154544	Defined_Atom_Stereo_Count	0
14072448	Structure_Complexity	78.4
7121	TPSA	55.8
5288799	Covalent_Unit_Count	1
54317152	TPSA	45.4
11951726	Non-hydrogen_Atom_Count	27
31982	XLogP3-AA	2
53737519	Total_Formal_Charge	0
54587229	Non-hydrogen_Atom_Count	28
38140	Total_Formal_Charge	0
17187	Mono_Isotopic_Weight	492.280464
91435393	Undefined_Atom_Stereo_Count	1
55416	Undefined_Atom_Stereo_Count	0
25154200	Exact_Mass	397.10495400
13813927	Undefined_Atom_Stereo_Count	0
19395	Hydrogen_Bond_Donor_Count	0
10996	XLogP3-AA	1.3
12502754	Molecular_Weight	97.12
86601564	Undefined_Bond_Stereo_Count	0
5959	Undefined_Bond_Stereo_Count	0
70689065	Hydrogen_Bond_Donor_Count	0
10219414	Defined_Atom_Stereo_Count	0
10486803	Undefined_Bond_Stereo_Count	0
64108	Isotope_Atom_Count	0
21989049	Hydrogen_Bond_Donor_Count	2
4158	Exact_Mass	233.141578849
5327011	Defined_Bond_Stereo_Count	0
38350	Hydrogen_Bond_Acceptor_Count	5
90431674	Defined_Bond_Stereo_Count	0
142299	Rotatable_Bond_Count	0
8372	Structure_Complexity	480
11604	Mono_Isotopic_Weight	81.057849228
5289518	Undefined_Bond_Stereo_Count	0
53320156	Undefined_Bond_Stereo_Count	0
11394	Defined_Atom_Stereo_Count	0
123649851	Mono_Isotopic_Weight	101.084063974
68093	Structure_Complexity	324
164513337	Hydrogen_Bond_Acceptor_Count	6
71509158	TPSA	166
46780884	Defined_Atom_Stereo_Count	0
10812218	Undefined_Bond_Stereo_Count	0
74183	Defined_Atom_Stereo_Count	0
13450501	TPSA	0
8058	Tautomer_Count	1
49867936	Hydrogen_Bond_Acceptor_Count	9
71363036	Exact_Mass	801.34907
30020	Exact_Mass	130.099379685
2375	Defined_Atom_Stereo_Count	0
2350	TPSA	62.7
12987	TPSA	0
4558	Undefined_Bond_Stereo_Count	1
3086677	Covalent_Unit_Count	1
11476710	Mono_Isotopic_Weight	460.1180685
6420096	Total_Formal_Charge	0
16401027	Total_Formal_Charge	0
11641	Undefined_Bond_Stereo_Count	0
226108	Exact_Mass	116.058577502
146367450	Mono_Isotopic_Weight	284.16237386
13587089	Isotope_Atom_Count	0
24785538	Total_Formal_Charge	0
91981561	Hydrogen_Bond_Acceptor_Count	5
11018809	Molecular_Weight	95.10
12359612	Hydrogen_Bond_Acceptor_Count	1
16278	Rotatable_Bond_Count	2
45039617	Covalent_Unit_Count	1
160940	Tautomer_Count	6
54144903	Undefined_Atom_Stereo_Count	1
9799979	Hydrogen_Bond_Donor_Count	1
6114	Defined_Bond_Stereo_Count	0
4542	Defined_Bond_Stereo_Count	0
3068143	Structure_Complexity	679
4913256	Rotatable_Bond_Count	2
9849925	Undefined_Bond_Stereo_Count	0
12524131	Undefined_Atom_Stereo_Count	0
241419	Hydrogen_Bond_Acceptor_Count	4
216225	Exact_Mass	421.14715559
11949652	Isotope_Atom_Count	0
17909343	Defined_Atom_Stereo_Count	0
11654876	Mono_Isotopic_Weight	430.20049070
45480520	Defined_Atom_Stereo_Count	1
923329	Mono_Isotopic_Weight	289.14264148
138611145	Covalent_Unit_Count	1
157	Defined_Atom_Stereo_Count	0
14381189	Defined_Bond_Stereo_Count	0
37631	Hydrogen_Bond_Acceptor_Count	3
49855492	Non-hydrogen_Atom_Count	27
155925852	Exact_Mass	820.19737416
23158703	Mono_Isotopic_Weight	387.15426879
2083	TPSA	72.7
14344952	Defined_Bond_Stereo_Count	0
54266316	Non-hydrogen_Atom_Count	6
20200448	Total_Formal_Charge	0
692791	Defined_Atom_Stereo_Count	1
6920223	Defined_Atom_Stereo_Count	0
60877	Hydrogen_Bond_Acceptor_Count	5
447626	Hydrogen_Bond_Acceptor_Count	1
5354035	Undefined_Atom_Stereo_Count	1
35455	Exact_Mass	320.152477885
70689385	XLogP3-AA	2.6
69004	Hydrogen_Bond_Donor_Count	0
517313	Undefined_Atom_Stereo_Count	0
7711	Hydrogen_Bond_Donor_Count	0
594781	Non-hydrogen_Atom_Count	12
5809202	Undefined_Atom_Stereo_Count	3
99271	Total_Formal_Charge	0
11294	Rotatable_Bond_Count	3
15007	Molecular_Weight	250.33
25114553	Undefined_Bond_Stereo_Count	0
54130	Rotatable_Bond_Count	5
4917	TPSA	35
11589054	Undefined_Bond_Stereo_Count	0
131853715	Mono_Isotopic_Weight	113.084063974
65328	Covalent_Unit_Count	3
11998	TPSA	52
5353521	Defined_Atom_Stereo_Count	0
53260965	Defined_Atom_Stereo_Count	0
11647679	Defined_Atom_Stereo_Count	0
492967	Defined_Bond_Stereo_Count	0
54289557	Undefined_Atom_Stereo_Count	0
6432434	Defined_Bond_Stereo_Count	1
5284347	Covalent_Unit_Count	2
6555	Molecular_Weight	137.02
30874	Exact_Mass	180.187800766
23679441	Hydrogen_Bond_Acceptor_Count	13
91285707	Defined_Atom_Stereo_Count	0
643798	Non-hydrogen_Atom_Count	9
51754	Undefined_Atom_Stereo_Count	1
21158442	Structure_Complexity	688
445691	Structure_Complexity	146
23278143	Undefined_Atom_Stereo_Count	0
45116669	Tautomer_Count	1
12201322	Covalent_Unit_Count	2
5365748	Structure_Complexity	197
12224251	Molecular_Weight	112.13
10184774	TPSA	116
21779240	Non-hydrogen_Atom_Count	22
13158036	Tautomer_Count	1
3000241	Isotope_Atom_Count	0
49784002	Total_Formal_Charge	0
76216	Undefined_Atom_Stereo_Count	0
49858377	Total_Formal_Charge	0
46227489	Molecular_Weight	460.5
11285	Isotope_Atom_Count	0
12302675	Hydrogen_Bond_Acceptor_Count	11
11494412	Undefined_Atom_Stereo_Count	0
9867605	Mono_Isotopic_Weight	434.0297083
126456023	Hydrogen_Bond_Donor_Count	3
56270	XLogP3	1.5
76672	Undefined_Atom_Stereo_Count	0
16217	XLogP3	6.4
54173839	Rotatable_Bond_Count	2
3791919	Defined_Atom_Stereo_Count	0
134694358	Defined_Bond_Stereo_Count	0
18805	Undefined_Bond_Stereo_Count	0
12539503	TPSA	0
30924	TPSA	32.9
24776149	Isotope_Atom_Count	0
10815	Hydrogen_Bond_Donor_Count	2
67411	Non-hydrogen_Atom_Count	21
45934213	Total_Formal_Charge	0
7032	Isotope_Atom_Count	0
8635	Defined_Atom_Stereo_Count	0
3035914	Molecular_Weight	258.32
123093	Defined_Bond_Stereo_Count	0
97127	Hydrogen_Bond_Donor_Count	0
44560771	XLogP3-AA	2
10376445	Hydrogen_Bond_Acceptor_Count	2
119025724	Non-hydrogen_Atom_Count	43
8617	Structure_Complexity	230
67108333	Total_Formal_Charge	0
43454	Structure_Complexity	365
2807	TPSA	110
22643188	Total_Formal_Charge	0
83860	Non-hydrogen_Atom_Count	42
18428533	Undefined_Bond_Stereo_Count	0
22917	Exact_Mass	293.08004122
7910	XLogP3-AA	1.7
148431	TPSA	24.4
2816105	Total_Formal_Charge	0
142773668	Hydrogen_Bond_Donor_Count	1
10548	XLogP3	1
10197643	Total_Formal_Charge	0
71636	Total_Formal_Charge	0
6359	Hydrogen_Bond_Acceptor_Count	0
22220875	Non-hydrogen_Atom_Count	8
6552009	Covalent_Unit_Count	1
9994296	Undefined_Bond_Stereo_Count	0
66099	Defined_Bond_Stereo_Count	0
80376	Covalent_Unit_Count	1
18458	Rotatable_Bond_Count	2
22057915	XLogP3-AA	0.5
8554	Tautomer_Count	1
57642398	Non-hydrogen_Atom_Count	7
448055	Exact_Mass	275.15214353
15626755	Isotope_Atom_Count	0
23616669	Rotatable_Bond_Count	16
49342	Exact_Mass	243.09291458
5282165	Isotope_Atom_Count	0
18223	Hydrogen_Bond_Donor_Count	0
139291703	Undefined_Atom_Stereo_Count	0
74570	Total_Formal_Charge	0
60196264	TPSA	556
70719	Non-hydrogen_Atom_Count	8
129789506	Total_Formal_Charge	0
13528	Hydrogen_Bond_Acceptor_Count	1
161973	Molecular_Weight	296.5
72199429	Covalent_Unit_Count	1
25023858	XLogP3-AA	4
136585	Covalent_Unit_Count	1
25164000	Covalent_Unit_Count	1
9920369	Hydrogen_Bond_Donor_Count	0
6602383	Undefined_Bond_Stereo_Count	0
21080	Structure_Complexity	348
72703790	Isotope_Atom_Count	0
21405	XLogP3	1.5
7257	XLogP3	2.7
6433091	TPSA	23.5
91434	Non-hydrogen_Atom_Count	21
6950274	Tautomer_Count	1
9601896	Tautomer_Count	1
18460542	Structure_Complexity	74.6
65979	TPSA	36.4
91596	Tautomer_Count	2
11151622	Covalent_Unit_Count	1
93706	Tautomer_Count	1
2771871	Hydrogen_Bond_Acceptor_Count	3
5329102	Hydrogen_Bond_Donor_Count	3
786624	Mono_Isotopic_Weight	330.993362
71970	Hydrogen_Bond_Donor_Count	2
452254	Rotatable_Bond_Count	3
147895	Covalent_Unit_Count	1
20527	Defined_Atom_Stereo_Count	0
12550422	Non-hydrogen_Atom_Count	8
5371578	Undefined_Bond_Stereo_Count	0
80790	Mono_Isotopic_Weight	164.120115130
9543090	Structure_Complexity	309
54443523	Hydrogen_Bond_Acceptor_Count	2
5505	TPSA	83.6
20055804	Tautomer_Count	2
44135708	Mono_Isotopic_Weight	190.02420298
193168	Undefined_Atom_Stereo_Count	0
61315	Total_Formal_Charge	0
74136	Mono_Isotopic_Weight	371.09225967
627254	Undefined_Bond_Stereo_Count	0
15420544	Covalent_Unit_Count	1
43515	Total_Formal_Charge	0
65612	Tautomer_Count	1
65605	Exact_Mass	364.17869263
34789	TPSA	12.5
56672297	Structure_Complexity	690
115368	Hydrogen_Bond_Acceptor_Count	6
13389335	Hydrogen_Bond_Donor_Count	1
112680	Isotope_Atom_Count	0
613952	Exact_Mass	238.110613074
31573	Covalent_Unit_Count	1
13854255	Undefined_Atom_Stereo_Count	0
12443367	Isotope_Atom_Count	0
68683	Covalent_Unit_Count	1
21753162	Non-hydrogen_Atom_Count	8
122662800	Molecular_Weight	114.15
11626384	Molecular_Weight	441.9
49852363	Structure_Complexity	260
92588	Covalent_Unit_Count	1
135332658	Total_Formal_Charge	0
65360	Exact_Mass	207.05652907
41095	Molecular_Weight	249.35
131238	Covalent_Unit_Count	1
636405	Mono_Isotopic_Weight	612.12093748
142796	Exact_Mass	68.026214747
19646	Hydrogen_Bond_Acceptor_Count	6
100933147	Defined_Atom_Stereo_Count	20
76092	Undefined_Bond_Stereo_Count	0
838267	Isotope_Atom_Count	0
54585642	Covalent_Unit_Count	1
13584912	Hydrogen_Bond_Donor_Count	0
3080938	Tautomer_Count	1
61254	Defined_Bond_Stereo_Count	0
4477	Undefined_Atom_Stereo_Count	0
402869	Total_Formal_Charge	0
20680013	Hydrogen_Bond_Donor_Count	0
6965	Hydrogen_Bond_Acceptor_Count	1
29079	Mono_Isotopic_Weight	240.03823598
139975	Total_Formal_Charge	0
31315	Covalent_Unit_Count	1
9985155	Undefined_Bond_Stereo_Count	0
19883347	Defined_Bond_Stereo_Count	0
71555	Undefined_Bond_Stereo_Count	0
12357829	Rotatable_Bond_Count	0
4469994	TPSA	113
8210	XLogP3	1.9
54697783	Defined_Atom_Stereo_Count	0
21958071	Total_Formal_Charge	0
25087171	Defined_Bond_Stereo_Count	0
49937	Defined_Bond_Stereo_Count	0
6553	Non-hydrogen_Atom_Count	5
172198	Molecular_Weight	1046.2
137994	Structure_Complexity	159
2776666	Covalent_Unit_Count	1
53663591	Exact_Mass	112.063662883
77022	TPSA	28.7
11539235	Rotatable_Bond_Count	6
220861	Mono_Isotopic_Weight	710.35135639
285886	Exact_Mass	284.120115130
65442	Defined_Bond_Stereo_Count	0
20912	TPSA	23.8
7483	Molecular_Weight	152.15
14683451	Hydrogen_Bond_Acceptor_Count	2
3000667	Molecular_Weight	319.4
69340949	Structure_Complexity	151
162349	Rotatable_Bond_Count	6
31132	Undefined_Bond_Stereo_Count	0
518962	Undefined_Bond_Stereo_Count	0
2723730	Non-hydrogen_Atom_Count	9
168871	Molecular_Weight	563.7
75518	TPSA	20.2
12885796	Rotatable_Bond_Count	4
3081743	Hydrogen_Bond_Acceptor_Count	5
21021867	Isotope_Atom_Count	0
92703	Mono_Isotopic_Weight	374.0781827
5484450	Defined_Bond_Stereo_Count	0
71463826	TPSA	60.7
19040	Structure_Complexity	59.4
6667	Structure_Complexity	322
5274	Isotope_Atom_Count	0
137658	Defined_Atom_Stereo_Count	0
19700	Total_Formal_Charge	0
22082547	Rotatable_Bond_Count	3
83644	Defined_Bond_Stereo_Count	0
67056782	Hydrogen_Bond_Donor_Count	0
26651	Defined_Atom_Stereo_Count	2
13084	Hydrogen_Bond_Donor_Count	2
57396865	Exact_Mass	360.18492083
91996283	Total_Formal_Charge	0
150	Hydrogen_Bond_Acceptor_Count	8
9812772	Exact_Mass	116.083729621
71679077	Covalent_Unit_Count	1
31493	Undefined_Bond_Stereo_Count	0
833466	TPSA	83
12240030	Exact_Mass	113.084063974
129631814	Covalent_Unit_Count	1
71311337	Defined_Atom_Stereo_Count	0
23783	Defined_Bond_Stereo_Count	0
45933886	Defined_Atom_Stereo_Count	4
54110642	Total_Formal_Charge	0
65974	Undefined_Bond_Stereo_Count	0
31018	Non-hydrogen_Atom_Count	8
13095	Total_Formal_Charge	0
53320444	Molecular_Weight	465.5
130443213	Total_Formal_Charge	0
19077520	Exact_Mass	416.1415318
279506	TPSA	57.5
20631043	Defined_Bond_Stereo_Count	0
57553	Mono_Isotopic_Weight	258.0326684
12504793	Structure_Complexity	64.6
547308	Undefined_Bond_Stereo_Count	0
6433427	Non-hydrogen_Atom_Count	19
55286482	Non-hydrogen_Atom_Count	8
57547	Covalent_Unit_Count	1
15287162	Defined_Atom_Stereo_Count	3
4726	Covalent_Unit_Count	1
58091261	Structure_Complexity	86.1
47297	Non-hydrogen_Atom_Count	19
69851796	Hydrogen_Bond_Acceptor_Count	3
3037918	Structure_Complexity	352
57505393	Defined_Atom_Stereo_Count	0
3032396	XLogP3-AA	1.3
63834	Structure_Complexity	608
12724530	Defined_Atom_Stereo_Count	0
12940550	TPSA	40.5
24450	Total_Formal_Charge	0
21455617	Rotatable_Bond_Count	0
49862627	Covalent_Unit_Count	1
86278404	Molecular_Weight	180.16
524643	Non-hydrogen_Atom_Count	7
23599753	Total_Formal_Charge	0
118540789	Molecular_Weight	97.16
8843	Non-hydrogen_Atom_Count	11
21786	Defined_Bond_Stereo_Count	0
12326432	Hydrogen_Bond_Acceptor_Count	2
9033	Undefined_Bond_Stereo_Count	0
124222418	Hydrogen_Bond_Acceptor_Count	11
5624	Mono_Isotopic_Weight	520.35257467
44345665	Defined_Atom_Stereo_Count	0
24843	Mono_Isotopic_Weight	246.0107241
19001504	Undefined_Atom_Stereo_Count	0
2830832	TPSA	116
5011	Isotope_Atom_Count	0
195906	Defined_Atom_Stereo_Count	0
6603697	Covalent_Unit_Count	1
17799937	TPSA	24.4
64934	TPSA	221
10807976	Rotatable_Bond_Count	5
228430	Undefined_Bond_Stereo_Count	0
163455192	Undefined_Atom_Stereo_Count	1
6671	Hydrogen_Bond_Donor_Count	0
148828281	Undefined_Bond_Stereo_Count	0
72800595	Molecular_Weight	114.14
26447	TPSA	17.1
22349217	Structure_Complexity	110
95634	Non-hydrogen_Atom_Count	14
4298216	Non-hydrogen_Atom_Count	6
53928139	Defined_Atom_Stereo_Count	0
44412343	Structure_Complexity	484
89578867	Hydrogen_Bond_Acceptor_Count	2
57393451	Isotope_Atom_Count	0
120738	Rotatable_Bond_Count	4
18719616	Defined_Atom_Stereo_Count	0
694146	Rotatable_Bond_Count	1
41545	Rotatable_Bond_Count	5
70801	TPSA	43.8
712967	Mono_Isotopic_Weight	331.08782920
6477182	TPSA	74.2
60815	Structure_Complexity	523
91474	Hydrogen_Bond_Donor_Count	1
635	Covalent_Unit_Count	1
5280878	Mono_Isotopic_Weight	496.26070817
24883429	Defined_Bond_Stereo_Count	0
49865859	Total_Formal_Charge	0
2426	Isotope_Atom_Count	0
3141	Defined_Atom_Stereo_Count	0
8989	Mono_Isotopic_Weight	416.365430770
3614551	Isotope_Atom_Count	0
7844	Molecular_Weight	56.11
11543	Structure_Complexity	48.1
11399084	Undefined_Bond_Stereo_Count	0
10057444	Structure_Complexity	58.6
154184678	Undefined_Atom_Stereo_Count	2
14510945	Defined_Atom_Stereo_Count	0
10672195	Hydrogen_Bond_Acceptor_Count	4
6453994	TPSA	29.1
11051583	Molecular_Weight	98.10
12394645	Non-hydrogen_Atom_Count	8
155491233	Hydrogen_Bond_Acceptor_Count	8
443984	Non-hydrogen_Atom_Count	29
54038601	Covalent_Unit_Count	1
527764	Defined_Atom_Stereo_Count	0
87217	Covalent_Unit_Count	1
86049	Structure_Complexity	30.7
5282182	Hydrogen_Bond_Donor_Count	0
66586378	Hydrogen_Bond_Donor_Count	2
18759	Rotatable_Bond_Count	0
22377554	Non-hydrogen_Atom_Count	8
4441	Covalent_Unit_Count	1
5280604	Non-hydrogen_Atom_Count	64
71310221	Rotatable_Bond_Count	16
5311424	Hydrogen_Bond_Donor_Count	2
12359154	Defined_Bond_Stereo_Count	0
443314	Molecular_Weight	522.7
32872	Tautomer_Count	6
11758093	Total_Formal_Charge	0
13487238	Defined_Atom_Stereo_Count	0
3613359	Mono_Isotopic_Weight	72.081324323
71057888	Defined_Atom_Stereo_Count	11
55289602	Total_Formal_Charge	0
135214	Covalent_Unit_Count	1
85663349	Rotatable_Bond_Count	3
53738699	Non-hydrogen_Atom_Count	8
41774	Mono_Isotopic_Weight	645.24801352
53032	Defined_Atom_Stereo_Count	3
93251	Undefined_Atom_Stereo_Count	0
147594753	Covalent_Unit_Count	1
20724774	Exact_Mass	101.047678466
25975	Rotatable_Bond_Count	0
84731066	Total_Formal_Charge	0
123966192	Isotope_Atom_Count	0
287180	Rotatable_Bond_Count	3
59295926	Covalent_Unit_Count	1
387316	Rotatable_Bond_Count	7
34852	Tautomer_Count	2
334447	Molecular_Weight	227.30
19068741	Structure_Complexity	108
88462	Mono_Isotopic_Weight	230.11676108
7294	Mono_Isotopic_Weight	86.036779430
9005	Rotatable_Bond_Count	3
71697	Exact_Mass	304.0866221
20553	Structure_Complexity	70.9
141080616	Total_Formal_Charge	0
69657	Total_Formal_Charge	0
69674285	Defined_Atom_Stereo_Count	0
54719543	Mono_Isotopic_Weight	589.37404364
17754066	Isotope_Atom_Count	0
15284	Mono_Isotopic_Weight	512.24101810
8123	Tautomer_Count	1
6507267	Total_Formal_Charge	0
59648875	Total_Formal_Charge	0
23128	TPSA	0
95361	XLogP3-AA	0.1
5281066	Molecular_Weight	522.5
16211884	Mono_Isotopic_Weight	182.06663009
7683	Structure_Complexity	141
5301	XLogP3-AA	0.5
69413	Non-hydrogen_Atom_Count	7
829002	TPSA	35.6
6971136	Exact_Mass	232.02796859
23435	Hydrogen_Bond_Donor_Count	1
135398678	Rotatable_Bond_Count	0
5311070	Exact_Mass	267.125928785
93093	Molecular_Weight	88.11
14825	Total_Formal_Charge	0
675533	Structure_Complexity	365
448051	Molecular_Weight	290.21
9574960	XLogP3-AA	2.3
6350	Covalent_Unit_Count	1
668390	Defined_Atom_Stereo_Count	0
9964081	Covalent_Unit_Count	1
15805370	Undefined_Bond_Stereo_Count	0
18934227	Defined_Atom_Stereo_Count	0
6748	Rotatable_Bond_Count	0
72679314	Molecular_Weight	378.5
19016756	Total_Formal_Charge	0
112932	Isotope_Atom_Count	0
7211	TPSA	40.5
131159598	Mono_Isotopic_Weight	112.088815002
494023	Covalent_Unit_Count	1
118705487	Hydrogen_Bond_Donor_Count	4
34515	Undefined_Atom_Stereo_Count	2
54403482	Structure_Complexity	107
4678317	Molecular_Weight	83.09
29498	Undefined_Bond_Stereo_Count	0
10920463	Rotatable_Bond_Count	0
24901349	Non-hydrogen_Atom_Count	34
265	Molecular_Weight	837.6
133967	Tautomer_Count	2
140789	Undefined_Atom_Stereo_Count	0
101888374	Exact_Mass	352.0502366
5922	Molecular_Weight	123.11
9868491	Non-hydrogen_Atom_Count	32
5282768	Total_Formal_Charge	0
16220118	Exact_Mass	313.0481653
71649	Defined_Bond_Stereo_Count	0
16218636	Undefined_Atom_Stereo_Count	0
9378	Isotope_Atom_Count	0
147856	Isotope_Atom_Count	0
118574	Defined_Atom_Stereo_Count	0
21576696	Total_Formal_Charge	1
562720	TPSA	49.6
23695767	Total_Formal_Charge	0
135546482	Isotope_Atom_Count	0
23994	Undefined_Atom_Stereo_Count	0
11527661	Rotatable_Bond_Count	7
44144474	Hydrogen_Bond_Acceptor_Count	7
57340467	Defined_Bond_Stereo_Count	0
12751986	Defined_Bond_Stereo_Count	0
53466	TPSA	57
115087054	Covalent_Unit_Count	1
70926	Molecular_Weight	213.3
20392754	Mono_Isotopic_Weight	97.052763847
9811353	Exact_Mass	862.34118563
57401682	Structure_Complexity	677
16052039	Exact_Mass	662.4095366
7826	Isotope_Atom_Count	0
10707	Total_Formal_Charge	0
42807	XLogP3	2.9
45923684	Rotatable_Bond_Count	0
12760717	Undefined_Bond_Stereo_Count	0
689	Hydrogen_Bond_Acceptor_Count	14
61017	Tautomer_Count	1
52949803	Mono_Isotopic_Weight	388.11693871
285366	Hydrogen_Bond_Acceptor_Count	2
3239844	Undefined_Atom_Stereo_Count	0
60342	Non-hydrogen_Atom_Count	20
90942134	Hydrogen_Bond_Acceptor_Count	3
44134533	Molecular_Weight	328.51
54169757	Rotatable_Bond_Count	3
20654321	Undefined_Atom_Stereo_Count	2
134688323	Defined_Bond_Stereo_Count	0
68850055	Undefined_Bond_Stereo_Count	0
41428	Covalent_Unit_Count	1
20234359	Covalent_Unit_Count	1
57306415	Isotope_Atom_Count	0
118210808	Rotatable_Bond_Count	0
13062961	Structure_Complexity	79.3
23982	Exact_Mass	157.92411
6262	Defined_Atom_Stereo_Count	1
377	Defined_Bond_Stereo_Count	0
6956334	Undefined_Atom_Stereo_Count	0
6918649	Hydrogen_Bond_Donor_Count	2
44626421	Non-hydrogen_Atom_Count	49
118197550	Exact_Mass	103.063328530
670580	Mono_Isotopic_Weight	320.04310506
45120354	Hydrogen_Bond_Acceptor_Count	2
24582	Undefined_Bond_Stereo_Count	0
5460588	Defined_Bond_Stereo_Count	0
59743	TPSA	84.9
59495	TPSA	29.1
164282	Covalent_Unit_Count	1
90761	Hydrogen_Bond_Donor_Count	0
68947	Hydrogen_Bond_Acceptor_Count	2
56834579	Covalent_Unit_Count	1
86209	TPSA	17.1
94153	Defined_Atom_Stereo_Count	0
54404212	Covalent_Unit_Count	1
21635382	Undefined_Bond_Stereo_Count	0
71302984	Non-hydrogen_Atom_Count	8
6501	Undefined_Atom_Stereo_Count	2
4385787	Hydrogen_Bond_Acceptor_Count	6
138891	Undefined_Atom_Stereo_Count	1
10887853	TPSA	28.2
19367743	Hydrogen_Bond_Donor_Count	1
1143	Defined_Bond_Stereo_Count	0
12524130	Mono_Isotopic_Weight	110.073164938
57449500	Structure_Complexity	84.4
5282548	Total_Formal_Charge	0
70682976	Mono_Isotopic_Weight	336.14739250
240373	Rotatable_Bond_Count	4
12556904	Mono_Isotopic_Weight	116.083729621
58468319	Non-hydrogen_Atom_Count	8
122360911	Covalent_Unit_Count	1
447994	Mono_Isotopic_Weight	413.09108001
90927	Isotope_Atom_Count	0
10313102	XLogP3-AA	0.3
3086257	TPSA	152
146474222	Exact_Mass	114.068079557
36255	Undefined_Bond_Stereo_Count	0
19022	Isotope_Atom_Count	0
12847949	Hydrogen_Bond_Donor_Count	1
44539266	Rotatable_Bond_Count	9
21997268	Undefined_Bond_Stereo_Count	0
91523740	Molecular_Weight	110.20
5464186	Defined_Bond_Stereo_Count	0
905454	Isotope_Atom_Count	0
74413	Total_Formal_Charge	0
36671	Defined_Bond_Stereo_Count	0
7752	Defined_Bond_Stereo_Count	0
13248942	Molecular_Weight	114.17
93176	Non-hydrogen_Atom_Count	8
54676840	Hydrogen_Bond_Acceptor_Count	4
9638	Defined_Bond_Stereo_Count	0
67030919	Undefined_Bond_Stereo_Count	1
474523	Exact_Mass	403.345029678
68862	Undefined_Atom_Stereo_Count	1
59791	Undefined_Bond_Stereo_Count	0
3081459	Hydrogen_Bond_Donor_Count	0
47640	Non-hydrogen_Atom_Count	23
11626920	Covalent_Unit_Count	1
102446	Non-hydrogen_Atom_Count	5
135409384	Undefined_Atom_Stereo_Count	2
256737	TPSA	60.7
71436	Non-hydrogen_Atom_Count	33
907991	Hydrogen_Bond_Acceptor_Count	5
140734	XLogP3-AA	1.2
47328	Tautomer_Count	2
110839	Isotope_Atom_Count	0
9885692	Rotatable_Bond_Count	4
19773393	TPSA	25.2
69141	Undefined_Atom_Stereo_Count	0
709430	XLogP3-AA	2.4
5288382	Defined_Atom_Stereo_Count	6
5280888	Defined_Atom_Stereo_Count	5
74	Defined_Bond_Stereo_Count	0
14359580	Hydrogen_Bond_Donor_Count	0
4652	Mono_Isotopic_Weight	199.0400063
3335	Structure_Complexity	310
62209	Undefined_Atom_Stereo_Count	0
1960	Isotope_Atom_Count	0
42608159	Rotatable_Bond_Count	1
129090013	Total_Formal_Charge	0
10313077	Non-hydrogen_Atom_Count	7
130664213	Total_Formal_Charge	0
66733	Defined_Bond_Stereo_Count	0
137967	Undefined_Bond_Stereo_Count	0
13028868	Covalent_Unit_Count	1
11675994	Covalent_Unit_Count	1
71464587	Exact_Mass	559.09135
94169	Hydrogen_Bond_Acceptor_Count	11
6165177	Hydrogen_Bond_Acceptor_Count	9
134925337	Non-hydrogen_Atom_Count	7
11829373	Total_Formal_Charge	0
53249784	Hydrogen_Bond_Donor_Count	1
87476740	Rotatable_Bond_Count	1
54484	Exact_Mass	292.17869263
79632	TPSA	216
74599	Non-hydrogen_Atom_Count	8
86295112	Structure_Complexity	618
49865703	Hydrogen_Bond_Donor_Count	2
54187438	TPSA	26
557737	TPSA	18.5
80675	Hydrogen_Bond_Donor_Count	3
70610	XLogP3	0.5
119432	Hydrogen_Bond_Acceptor_Count	1
13293131	Isotope_Atom_Count	0
31953	Undefined_Bond_Stereo_Count	0
42865	Structure_Complexity	280
853863	Total_Formal_Charge	0
58471	Hydrogen_Bond_Acceptor_Count	4
62416539	XLogP3-AA	0.5
9576811	Tautomer_Count	8
44366214	TPSA	349
122197581	Defined_Bond_Stereo_Count	0
12377442	Defined_Bond_Stereo_Count	0
71311215	Non-hydrogen_Atom_Count	24
398743	Hydrogen_Bond_Donor_Count	1
42586	TPSA	55.8
25202562	Molecular_Weight	356.75
13653621	Mono_Isotopic_Weight	420.22851697
450601	Hydrogen_Bond_Acceptor_Count	4
12763	Hydrogen_Bond_Donor_Count	0
452110	Undefined_Atom_Stereo_Count	0
9928	Molecular_Weight	327.8
10820486	Total_Formal_Charge	0
5282426	Rotatable_Bond_Count	3
91315907	Undefined_Atom_Stereo_Count	0
3571	Hydrogen_Bond_Donor_Count	3
54718618	Undefined_Bond_Stereo_Count	0
23675453	Structure_Complexity	368
132367	Covalent_Unit_Count	1
6420020	Structure_Complexity	494
44310254	Mono_Isotopic_Weight	382.1578689
5391	Covalent_Unit_Count	1
163668741	Total_Formal_Charge	0
518924	Isotope_Atom_Count	0
23690449	Structure_Complexity	334
6564	Covalent_Unit_Count	1
6485793	Total_Formal_Charge	0
13029	Mono_Isotopic_Weight	170.0318546
26721	Hydrogen_Bond_Acceptor_Count	5
518964	Exact_Mass	92.9743320
6918788	Hydrogen_Bond_Acceptor_Count	16
429016	Defined_Bond_Stereo_Count	0
11829372	Covalent_Unit_Count	1
316473	Isotope_Atom_Count	0
24848360	XLogP3	5.2
11969465	Molecular_Weight	400.5
987917	Isotope_Atom_Count	0
240796	Rotatable_Bond_Count	1
87293	Undefined_Bond_Stereo_Count	0
60196385	Undefined_Bond_Stereo_Count	0
26421	Tautomer_Count	1
28118	Total_Formal_Charge	0
10675	Mono_Isotopic_Weight	398.1509537
9963430	Hydrogen_Bond_Donor_Count	4
12500872	Hydrogen_Bond_Acceptor_Count	1
6410	XLogP3-AA	0.6
173799	Exact_Mass	464.24101810
23925	TPSA	0
64459	Undefined_Bond_Stereo_Count	0
60594	Covalent_Unit_Count	1
9874875	XLogP3-AA	8.1
505	Isotope_Atom_Count	0
6100671	Exact_Mass	326.199428076
129769827	TPSA	38.4
129816	Undefined_Atom_Stereo_Count	1
75018	Undefined_Bond_Stereo_Count	0
141630	Isotope_Atom_Count	0
41867	Hydrogen_Bond_Acceptor_Count	12
88283211	Defined_Atom_Stereo_Count	0
69677	Undefined_Atom_Stereo_Count	0
5284429	Undefined_Bond_Stereo_Count	0
49427	Non-hydrogen_Atom_Count	22
138772	Total_Formal_Charge	0
445344	Mono_Isotopic_Weight	893.21967532
16073660	Hydrogen_Bond_Donor_Count	0
135398501	Total_Formal_Charge	0
156618073	Isotope_Atom_Count	0
250457	Covalent_Unit_Count	1
897177	Structure_Complexity	501
65499	Defined_Bond_Stereo_Count	0
992	Molecular_Weight	266.3
15681692	Hydrogen_Bond_Acceptor_Count	2
82052	Hydrogen_Bond_Donor_Count	0
23533306	Structure_Complexity	773
4097	Total_Formal_Charge	1
119095779	Undefined_Atom_Stereo_Count	0
67435898	Defined_Atom_Stereo_Count	0
124246	Structure_Complexity	665
6419984	Defined_Atom_Stereo_Count	2
8875	Hydrogen_Bond_Donor_Count	1
15446403	Hydrogen_Bond_Donor_Count	0
53668108	Molecular_Weight	112.13
91557	Undefined_Atom_Stereo_Count	0
173612	Molecular_Weight	481.9
12480891	Non-hydrogen_Atom_Count	7
138335	Non-hydrogen_Atom_Count	8
12502857	Non-hydrogen_Atom_Count	7
23283001	Total_Formal_Charge	0
23973	Defined_Bond_Stereo_Count	0
57391320	Rotatable_Bond_Count	4
15559658	TPSA	12
439616	Structure_Complexity	138
10582477	Defined_Atom_Stereo_Count	0
121098	TPSA	55.8
564996	TPSA	26.3
8606	TPSA	62.7
448799	Structure_Complexity	770
53355697	Undefined_Atom_Stereo_Count	1
15567019	Molecular_Weight	114.14
10267	Mono_Isotopic_Weight	339.99604987
163276251	Hydrogen_Bond_Donor_Count	0
2157	Tautomer_Count	1
22499346	Isotope_Atom_Count	0
53701	Undefined_Bond_Stereo_Count	0
87844643	Structure_Complexity	76.1
13463348	Undefined_Bond_Stereo_Count	0
89976630	Molecular_Weight	107.11
164877	Covalent_Unit_Count	1
69676	Rotatable_Bond_Count	1
3658056	Structure_Complexity	738
91353581	Non-hydrogen_Atom_Count	8
59742	Structure_Complexity	527
185554	Covalent_Unit_Count	1
78293	Covalent_Unit_Count	1
6438394	Undefined_Bond_Stereo_Count	0
6509979	Isotope_Atom_Count	0
19846	Covalent_Unit_Count	1
24838	Exact_Mass	186.161979940
131170	Defined_Bond_Stereo_Count	0
83346	Non-hydrogen_Atom_Count	8
95809	XLogP3-AA	5.5
397	Tautomer_Count	3
6518103	Non-hydrogen_Atom_Count	23
11412356	Total_Formal_Charge	0
5481173	Hydrogen_Bond_Donor_Count	3
3357	Undefined_Bond_Stereo_Count	0
16362	Mono_Isotopic_Weight	461.22786888
9877608	Rotatable_Bond_Count	6
131752860	Hydrogen_Bond_Acceptor_Count	1
6401	Hydrogen_Bond_Donor_Count	0
1204288	Undefined_Atom_Stereo_Count	0
34364440	Covalent_Unit_Count	1
46782942	Non-hydrogen_Atom_Count	25
11493841	Covalent_Unit_Count	1
5558	Molecular_Weight	252.73
14781907	Mono_Isotopic_Weight	101.084063974
7006711	XLogP3	0.1
13898	Hydrogen_Bond_Acceptor_Count	2
17695	Undefined_Bond_Stereo_Count	0
24434	Molecular_Weight	101.103
11505444	Structure_Complexity	996
22947	Undefined_Bond_Stereo_Count	0
447297	Structure_Complexity	477
22338748	Mono_Isotopic_Weight	96.057514874
12318317	Non-hydrogen_Atom_Count	10
7152	Exact_Mass	177.06372245
20138	Defined_Atom_Stereo_Count	0
23690206	Defined_Atom_Stereo_Count	13
77520435	Exact_Mass	358.19836
446378	Hydrogen_Bond_Donor_Count	2
513917	Undefined_Bond_Stereo_Count	0
25137901	Undefined_Bond_Stereo_Count	0
18781684	Covalent_Unit_Count	1
72589	Isotope_Atom_Count	0
101838	Undefined_Atom_Stereo_Count	0
657731	Exact_Mass	292.02113
9883029	Covalent_Unit_Count	1
53378550	Defined_Bond_Stereo_Count	0
54576693	Non-hydrogen_Atom_Count	28
7683	Rotatable_Bond_Count	1
138358	TPSA	0
11517020	Undefined_Bond_Stereo_Count	0
12695899	Mono_Isotopic_Weight	110.073164938
47499	Isotope_Atom_Count	0
11263485	TPSA	3.2
11083832	Undefined_Atom_Stereo_Count	0
66577114	Molecular_Weight	852.8
57057991	Covalent_Unit_Count	1
51577	Total_Formal_Charge	0
15461303	Structure_Complexity	682
66840	Molecular_Weight	244.04
54736486	Exact_Mass	310.12050905
11239	Hydrogen_Bond_Donor_Count	0
98047379	Mono_Isotopic_Weight	284.16237386
98218	Defined_Bond_Stereo_Count	0
23725063	TPSA	141
29373	Undefined_Atom_Stereo_Count	0
60420	Isotope_Atom_Count	0
85500	Rotatable_Bond_Count	6
54260	Hydrogen_Bond_Acceptor_Count	2
71463896	Exact_Mass	512.35017463
4180	TPSA	138
70685697	Structure_Complexity	491
105427130	Structure_Complexity	77.7
274412	Covalent_Unit_Count	1
4369496	Isotope_Atom_Count	0
6435824	Structure_Complexity	125
6436126	Total_Formal_Charge	0
2180	Tautomer_Count	1
3073200	Defined_Atom_Stereo_Count	0
69684	Covalent_Unit_Count	1
67950444	Defined_Atom_Stereo_Count	2
219018	Hydrogen_Bond_Donor_Count	2
21655019	Exact_Mass	84.032362755
6437840	Tautomer_Count	2
44342925	TPSA	23.5
4961971	Structure_Complexity	62.7
25875	Non-hydrogen_Atom_Count	22
11064594	XLogP3-AA	0.8
86767860	Isotope_Atom_Count	0
73881	Undefined_Atom_Stereo_Count	0
70912	Exact_Mass	173.10519334
163563466	TPSA	3
16296	TPSA	26.3
14500	Defined_Atom_Stereo_Count	0
2243	Hydrogen_Bond_Acceptor_Count	15
23664617	Hydrogen_Bond_Donor_Count	0
21903911	Non-hydrogen_Atom_Count	7
135626366	Structure_Complexity	128
984821	Total_Formal_Charge	0
16754849	TPSA	75.1
38350	Molecular_Weight	321.4
23664644	Mono_Isotopic_Weight	194.99660851
162747	Tautomer_Count	1
25904	XLogP3-AA	4.6
7511	Defined_Bond_Stereo_Count	0
11040724	Non-hydrogen_Atom_Count	10
1714329	Rotatable_Bond_Count	0
54562506	TPSA	20.2
21071390	Rotatable_Bond_Count	9
70810	XLogP3	1.2
12425324	Non-hydrogen_Atom_Count	9
12301054	TPSA	20.2
64627	TPSA	69.3
60196435	Molecular_Weight	419.4
24208	XLogP3-AA	3.5
12274	Total_Formal_Charge	0
9546757	Hydrogen_Bond_Acceptor_Count	9
148241675	Isotope_Atom_Count	0
601898	Non-hydrogen_Atom_Count	18
444254	TPSA	321
638026	Covalent_Unit_Count	1
11520894	Structure_Complexity	1940
14084036	XLogP3	0.2
53480934	Defined_Atom_Stereo_Count	1
165457	Molecular_Weight	361.4
199229	Hydrogen_Bond_Donor_Count	0
25263111	Structure_Complexity	687
12664700	Undefined_Atom_Stereo_Count	1
3435	Exact_Mass	225.03857033
12309521	Rotatable_Bond_Count	4
5362417	Total_Formal_Charge	0
5321950	Hydrogen_Bond_Donor_Count	0
630355	Rotatable_Bond_Count	4
147364829	Undefined_Bond_Stereo_Count	0
12648201	Covalent_Unit_Count	1
17049	Tautomer_Count	1
5146	Undefined_Bond_Stereo_Count	0
59058905	Hydrogen_Bond_Donor_Count	0
67885	Mono_Isotopic_Weight	208.99114725
5918	Undefined_Bond_Stereo_Count	0
107319	Defined_Bond_Stereo_Count	0
26998	Structure_Complexity	110
444	Tautomer_Count	2
97736001	Defined_Bond_Stereo_Count	0
13134933	Undefined_Atom_Stereo_Count	0
123691367	TPSA	20.2
16227342	Exact_Mass	109.027611728
135905454	Hydrogen_Bond_Acceptor_Count	5
11341	Hydrogen_Bond_Acceptor_Count	2
53869954	Isotope_Atom_Count	0
5365585	Molecular_Weight	248.4
522708	XLogP3-AA	1.6
11286483	Hydrogen_Bond_Acceptor_Count	2
6992086	Undefined_Bond_Stereo_Count	0
10560335	Mono_Isotopic_Weight	208.0767261
20056682	Rotatable_Bond_Count	8
6620134	Exact_Mass	445.20015635
16050553	TPSA	67.9
65484	Defined_Atom_Stereo_Count	0
137942834	Molecular_Weight	101.15
3525005	Undefined_Atom_Stereo_Count	1
22661587	TPSA	3
16123056	Mono_Isotopic_Weight	270.12290909
62108	Non-hydrogen_Atom_Count	32
2437245	Isotope_Atom_Count	0
15475284	Molecular_Weight	97.16
11521066	Hydrogen_Bond_Acceptor_Count	2
12275055	Defined_Atom_Stereo_Count	0
185588	XLogP3	3.1
129691409	Hydrogen_Bond_Donor_Count	3
22979	Mono_Isotopic_Weight	487.11279790
9022	Total_Formal_Charge	1
76206	Molecular_Weight	134.56
53317120	Total_Formal_Charge	0
20058737	TPSA	41.1
84720	Exact_Mass	266.02913527
12814873	Structure_Complexity	415
45944	Hydrogen_Bond_Donor_Count	1
139942026	Hydrogen_Bond_Acceptor_Count	1
446308	XLogP3-AA	4.9
5282229	Undefined_Bond_Stereo_Count	0
4438527	Hydrogen_Bond_Acceptor_Count	21
30530	Rotatable_Bond_Count	3
9548659	Defined_Atom_Stereo_Count	0
87642220	Hydrogen_Bond_Donor_Count	8
5486971	Defined_Atom_Stereo_Count	1
96095	Non-hydrogen_Atom_Count	16
7963	Structure_Complexity	46.1
6451155	Non-hydrogen_Atom_Count	22
24950485	Hydrogen_Bond_Acceptor_Count	10
102089288	Non-hydrogen_Atom_Count	12
19082215	XLogP3-AA	3.3
44442053	Hydrogen_Bond_Donor_Count	2
68392349	Structure_Complexity	125
5484727	Covalent_Unit_Count	1
85339	Hydrogen_Bond_Donor_Count	1
79790	XLogP3-AA	3.5
11182575	Defined_Bond_Stereo_Count	0
73695606	Rotatable_Bond_Count	1
13027931	Total_Formal_Charge	0
160312	Defined_Bond_Stereo_Count	0
731747	Rotatable_Bond_Count	3
448513	Defined_Bond_Stereo_Count	0
19352565	Defined_Bond_Stereo_Count	0
56623654	Covalent_Unit_Count	1
870718	Defined_Atom_Stereo_Count	1
156617908	Non-hydrogen_Atom_Count	23
5311036	Undefined_Bond_Stereo_Count	0
13349554	Molecular_Weight	110.20
44456889	Structure_Complexity	469
135449281	Rotatable_Bond_Count	2
72402	Undefined_Bond_Stereo_Count	0
60196284	Undefined_Atom_Stereo_Count	0
5362485	Undefined_Bond_Stereo_Count	0
5257127	Defined_Bond_Stereo_Count	0
44755151	Undefined_Atom_Stereo_Count	0
53956489	Defined_Atom_Stereo_Count	0
9899402	TPSA	24.5
12596294	Hydrogen_Bond_Acceptor_Count	2
18406174	Undefined_Atom_Stereo_Count	2
64927	Undefined_Atom_Stereo_Count	1
85145	Defined_Atom_Stereo_Count	0
4523766	Isotope_Atom_Count	0
74944	Undefined_Atom_Stereo_Count	0
129711468	Covalent_Unit_Count	1
84647683	Undefined_Atom_Stereo_Count	0
225688	Undefined_Bond_Stereo_Count	0
162639102	Mono_Isotopic_Weight	411.00600498
90892	Defined_Atom_Stereo_Count	0
135779804	Mono_Isotopic_Weight	249.0087234
9844	Hydrogen_Bond_Acceptor_Count	4
5215	Exact_Mass	250.05244675
6918653	Tautomer_Count	6
7814	Covalent_Unit_Count	1
31251	Hydrogen_Bond_Donor_Count	0
439262	Structure_Complexity	641
71734	Covalent_Unit_Count	1
59221	Undefined_Bond_Stereo_Count	0
78392	Non-hydrogen_Atom_Count	11
6266	Molecular_Weight	336.8
48889	Mono_Isotopic_Weight	319.896540
23663979	Exact_Mass	371.09157152
150986	Covalent_Unit_Count	1
6349	Mono_Isotopic_Weight	117.92685
5108383	Structure_Complexity	442
609	Covalent_Unit_Count	1
118978207	Hydrogen_Bond_Acceptor_Count	1
118098295	Hydrogen_Bond_Donor_Count	8
1379	Mono_Isotopic_Weight	358.30830982
22754629	Non-hydrogen_Atom_Count	8
117841973	TPSA	45.6
71562042	Rotatable_Bond_Count	5
123872156	Undefined_Atom_Stereo_Count	3
148475193	Undefined_Bond_Stereo_Count	0
70689350	Mono_Isotopic_Weight	453.25489452
9415	Defined_Bond_Stereo_Count	0
446871	Exact_Mass	466.01407238
62670550	Defined_Atom_Stereo_Count	0
14057	TPSA	37.3
10034991	Rotatable_Bond_Count	3
1353	Hydrogen_Bond_Donor_Count	2
54677977	Hydrogen_Bond_Acceptor_Count	6
129075411	Undefined_Atom_Stereo_Count	0
7343	Rotatable_Bond_Count	3
9962735	Total_Formal_Charge	0
656602	Non-hydrogen_Atom_Count	30
135540987	Non-hydrogen_Atom_Count	29
5281104	Non-hydrogen_Atom_Count	30
954444	Mono_Isotopic_Weight	291.0581549
565005	Isotope_Atom_Count	0
6420040	Undefined_Atom_Stereo_Count	0
54368808	Defined_Bond_Stereo_Count	0
53859	Structure_Complexity	416
6057875	Mono_Isotopic_Weight	665.30474055
140765	Structure_Complexity	93.7
53627566	Structure_Complexity	29.8
5318537	Undefined_Atom_Stereo_Count	0
16957	TPSA	0
114829	Undefined_Atom_Stereo_Count	0
141319360	Covalent_Unit_Count	1
38904	Undefined_Atom_Stereo_Count	0
70681777	Total_Formal_Charge	0
12500872	Isotope_Atom_Count	0
72213403	Rotatable_Bond_Count	0
56238	Defined_Atom_Stereo_Count	0
68953	Rotatable_Bond_Count	1
21859	Hydrogen_Bond_Donor_Count	1
2766305	Total_Formal_Charge	0
44570629	Rotatable_Bond_Count	5
6834	Structure_Complexity	249
71401	Hydrogen_Bond_Acceptor_Count	1
24671	Defined_Bond_Stereo_Count	0
163143	Non-hydrogen_Atom_Count	32
24900937	Defined_Bond_Stereo_Count	0
71305057	Total_Formal_Charge	0
118897473	Hydrogen_Bond_Acceptor_Count	3
6327109	Hydrogen_Bond_Donor_Count	1
39971	Total_Formal_Charge	0
155893624	Isotope_Atom_Count	0
50923	Isotope_Atom_Count	0
73415798	Hydrogen_Bond_Donor_Count	9
119086017	Total_Formal_Charge	0
165437289	Undefined_Atom_Stereo_Count	2
12213229	Hydrogen_Bond_Acceptor_Count	4
37888405	Undefined_Bond_Stereo_Count	0
54130	Covalent_Unit_Count	1
5288101	Rotatable_Bond_Count	3
48754	Exact_Mass	226.13174244
8897	Mono_Isotopic_Weight	133.03750770
97617	Rotatable_Bond_Count	0
7351	Total_Formal_Charge	0
9933197	Hydrogen_Bond_Acceptor_Count	9
19708414	Defined_Atom_Stereo_Count	0
71462510	Non-hydrogen_Atom_Count	28
23385063	Total_Formal_Charge	0
46916	Undefined_Atom_Stereo_Count	0
893322	Isotope_Atom_Count	0
141850000	Covalent_Unit_Count	1
148466782	Mono_Isotopic_Weight	113.084063974
21218	Defined_Atom_Stereo_Count	0
10390369	Covalent_Unit_Count	1
71587288	Hydrogen_Bond_Donor_Count	1
64761	Rotatable_Bond_Count	9
6367080	Total_Formal_Charge	1
54033586	Defined_Atom_Stereo_Count	0
84072909	Rotatable_Bond_Count	1
135412609	Undefined_Atom_Stereo_Count	1
176873	Exact_Mass	588.30199564
320055	Non-hydrogen_Atom_Count	8
90961655	Non-hydrogen_Atom_Count	7
10701	Tautomer_Count	1
4953	Covalent_Unit_Count	1
11547499	Isotope_Atom_Count	0
115157	Defined_Bond_Stereo_Count	0
2096	Hydrogen_Bond_Donor_Count	1
24853	Covalent_Unit_Count	4
5361309	Exact_Mass	434.16647101
1549237	Hydrogen_Bond_Donor_Count	0
10133975	XLogP3-AA	3.5
16131923	Undefined_Atom_Stereo_Count	0
18787571	TPSA	25.8
49652	Structure_Complexity	564
1549097	Tautomer_Count	1
471895	Total_Formal_Charge	0
11519070	Mono_Isotopic_Weight	428.258954327
12559	Exact_Mass	1017.73277158
120741	Non-hydrogen_Atom_Count	24
131664126	Covalent_Unit_Count	7
13306871	Structure_Complexity	66.5
65510	Total_Formal_Charge	0
62425	Undefined_Atom_Stereo_Count	0
53398649	Defined_Atom_Stereo_Count	0
620984	Structure_Complexity	252
64832	Total_Formal_Charge	0
13652343	Defined_Bond_Stereo_Count	0
72068	Mono_Isotopic_Weight	286.04860741
88266	Hydrogen_Bond_Donor_Count	1
87357201	Structure_Complexity	291
54502555	Molecular_Weight	100.16
2768	Defined_Bond_Stereo_Count	0
57526	Isotope_Atom_Count	0
14923690	Undefined_Bond_Stereo_Count	0
91216087	Defined_Atom_Stereo_Count	0
135882	Non-hydrogen_Atom_Count	18
53908	Exact_Mass	308.0903253
61346	Isotope_Atom_Count	0
10034581	Hydrogen_Bond_Acceptor_Count	1
19161	Defined_Atom_Stereo_Count	0
2794833	Structure_Complexity	77.8
11951725	TPSA	108
1549133	Undefined_Atom_Stereo_Count	0
16659681	Undefined_Bond_Stereo_Count	0
91369480	Undefined_Atom_Stereo_Count	3
21903	Hydrogen_Bond_Acceptor_Count	3
16049090	Isotope_Atom_Count	0
90771502	Defined_Bond_Stereo_Count	0
121639	Defined_Bond_Stereo_Count	0
4026	Defined_Atom_Stereo_Count	0
60652	Exact_Mass	308.0828741
40473189	Defined_Bond_Stereo_Count	1
5355836	Exact_Mass	192.04225873
68746916	Mono_Isotopic_Weight	518.14577163
42602097	Molecular_Weight	424.9
1118	Defined_Atom_Stereo_Count	0
145515817	Undefined_Bond_Stereo_Count	0
175945	Covalent_Unit_Count	1
11317439	Undefined_Bond_Stereo_Count	0
72200631	XLogP3-AA	3.6
67528035	Covalent_Unit_Count	1
9922187	Exact_Mass	295.168462302
31386	Defined_Atom_Stereo_Count	0
11969542	Non-hydrogen_Atom_Count	32
124809078	Defined_Bond_Stereo_Count	0
8788	Undefined_Bond_Stereo_Count	0
71117	Isotope_Atom_Count	0
805	Undefined_Atom_Stereo_Count	4
6399253	Hydrogen_Bond_Acceptor_Count	10
59216333	Mono_Isotopic_Weight	111.043261792
10920441	Exact_Mass	72.021129366
10558	XLogP3-AA	1.8
14841958	Total_Formal_Charge	0
79790	Covalent_Unit_Count	1
23496510	Covalent_Unit_Count	1
24884361	Structure_Complexity	94.2
123928307	Total_Formal_Charge	0
20118532	Total_Formal_Charge	0
23533322	XLogP3-AA	2.3
105166	Non-hydrogen_Atom_Count	1
2877	Structure_Complexity	330
170750	Rotatable_Bond_Count	5
10040	Isotope_Atom_Count	0
155971023	Undefined_Bond_Stereo_Count	0
93884	Structure_Complexity	270
141886129	Isotope_Atom_Count	0
35525	Mono_Isotopic_Weight	166.110613074
96339	Exact_Mass	166.03784206
91405	Hydrogen_Bond_Acceptor_Count	3
5357253	XLogP3-AA	3.6
23724878	Mono_Isotopic_Weight	1814.6085580
3067270	Non-hydrogen_Atom_Count	24
85673900	Mono_Isotopic_Weight	98.084398327
441975	Undefined_Bond_Stereo_Count	0
33255	Defined_Bond_Stereo_Count	0
57031137	Molecular_Weight	112.17
11957535	Structure_Complexity	318
11704019	Total_Formal_Charge	0
5252481	Exact_Mass	103.063328530
54581904	Undefined_Bond_Stereo_Count	0
126975912	Undefined_Bond_Stereo_Count	0
14988399	TPSA	26
161209	Defined_Bond_Stereo_Count	0
143506727	Exact_Mass	108.093900383
21306607	TPSA	12
6538996	Defined_Bond_Stereo_Count	0
98735	Undefined_Atom_Stereo_Count	0
6256685	Rotatable_Bond_Count	12
15394	Undefined_Atom_Stereo_Count	0
89578803	Undefined_Atom_Stereo_Count	3
6401	Tautomer_Count	1
22636790	Rotatable_Bond_Count	3
147577	XLogP3-AA	3.9
53001	Structure_Complexity	252
117736498	Mono_Isotopic_Weight	106.041864811
35525	Hydrogen_Bond_Donor_Count	0
7897	Defined_Atom_Stereo_Count	0
9871	Non-hydrogen_Atom_Count	7
970648	Non-hydrogen_Atom_Count	23
18617	Rotatable_Bond_Count	0
66577114	Structure_Complexity	1650
277694	Exact_Mass	500.016289
77942	Undefined_Atom_Stereo_Count	0
3029	Structure_Complexity	751
26106	Undefined_Bond_Stereo_Count	0
6537499	Exact_Mass	616.36113323
11789135	Total_Formal_Charge	0
126969212	Covalent_Unit_Count	1
6053	Structure_Complexity	236
10996972	XLogP3-AA	1.4
70346812	Molecular_Weight	113.16
21800	Tautomer_Count	6
12969	Non-hydrogen_Atom_Count	6
155907170	Undefined_Atom_Stereo_Count	0
135441757	XLogP3	2.3
163429552	Rotatable_Bond_Count	1
71188	Isotope_Atom_Count	0
4117	XLogP3	2.6
5544	Isotope_Atom_Count	0
16212118	Defined_Bond_Stereo_Count	0
104163	Exact_Mass	230.21066147
3899541	XLogP3-AA	0.1
20912	Defined_Bond_Stereo_Count	0
203329	Undefined_Atom_Stereo_Count	0
10289038	Isotope_Atom_Count	0
14816327	Undefined_Bond_Stereo_Count	0
6419965	Hydrogen_Bond_Donor_Count	4
439935	Undefined_Atom_Stereo_Count	0
16070030	Rotatable_Bond_Count	0
36798	XLogP3	1.3
31477	Rotatable_Bond_Count	8
263	Structure_Complexity	13.1
47640	Defined_Atom_Stereo_Count	0
23131983	Isotope_Atom_Count	0
6437841	XLogP3-AA	6.1
75821	Isotope_Atom_Count	0
63985	Total_Formal_Charge	0
122172945	TPSA	279
177323	Rotatable_Bond_Count	6
28080	Rotatable_Bond_Count	9
122623	Non-hydrogen_Atom_Count	24
12333	Defined_Atom_Stereo_Count	0
6918585	Hydrogen_Bond_Acceptor_Count	56
9984488	Rotatable_Bond_Count	4
26176	Hydrogen_Bond_Donor_Count	0
13382	Total_Formal_Charge	0
20746480	Isotope_Atom_Count	0
3060	XLogP3	3.4
154101	Undefined_Bond_Stereo_Count	0
698931	Isotope_Atom_Count	0
43312181	Rotatable_Bond_Count	2
51346588	Structure_Complexity	423
9901617	Non-hydrogen_Atom_Count	20
693167	TPSA	52.8
54586637	Undefined_Bond_Stereo_Count	0
50990560	TPSA	195
46780152	XLogP3-AA	5.1
148708	Molecular_Weight	260.08
56662035	Non-hydrogen_Atom_Count	37
68602320	Structure_Complexity	141
8226	Undefined_Atom_Stereo_Count	0
6918405	Undefined_Atom_Stereo_Count	0
13492096	Rotatable_Bond_Count	1
53990905	Mono_Isotopic_Weight	111.043261792
24857598	Hydrogen_Bond_Donor_Count	0
9963148	Mono_Isotopic_Weight	987.34845584
135659030	Total_Formal_Charge	0
62529	Mono_Isotopic_Weight	192.162648646
84623	Hydrogen_Bond_Donor_Count	0
11081093	Hydrogen_Bond_Donor_Count	0
72200850	XLogP3-AA	4.6
18410493	Structure_Complexity	111
5288365	Non-hydrogen_Atom_Count	18
439680	Undefined_Bond_Stereo_Count	0
176453	Hydrogen_Bond_Acceptor_Count	4
6429536	Rotatable_Bond_Count	2
2725002	Defined_Bond_Stereo_Count	0
21650627	Structure_Complexity	122
15737685	Hydrogen_Bond_Donor_Count	0
5463081	Tautomer_Count	1
138655	Non-hydrogen_Atom_Count	6
485092	Non-hydrogen_Atom_Count	7
62656	Exact_Mass	125.90349
58420420	Covalent_Unit_Count	1
56955071	Isotope_Atom_Count	0
440192	Mono_Isotopic_Weight	206.094294304
61054	Covalent_Unit_Count	1
6433396	Hydrogen_Bond_Acceptor_Count	4
2457	Rotatable_Bond_Count	1
5921	Rotatable_Bond_Count	2
35399	Total_Formal_Charge	0
53378550	Undefined_Atom_Stereo_Count	0
56924536	Exact_Mass	309.921259
159952	Covalent_Unit_Count	2
54584753	Molecular_Weight	424.5
9458	Mono_Isotopic_Weight	248.02964319
114789	Hydrogen_Bond_Acceptor_Count	0
15950514	Total_Formal_Charge	0
40473404	Total_Formal_Charge	0
11224214	Non-hydrogen_Atom_Count	32
636857	XLogP3-AA	3.1
27135	Structure_Complexity	59.8
6918091	Defined_Bond_Stereo_Count	0
53326315	Structure_Complexity	648
54467044	Undefined_Atom_Stereo_Count	1
270	Structure_Complexity	4220
93858	Defined_Atom_Stereo_Count	0
98047377	Undefined_Atom_Stereo_Count	0
19819	Molecular_Weight	297.13
8181	Defined_Atom_Stereo_Count	0
148546155	Undefined_Atom_Stereo_Count	0
91747	XLogP3	3.9
403804	Isotope_Atom_Count	0
85551668	Hydrogen_Bond_Acceptor_Count	4
8187	Tautomer_Count	2
15558642	Molecular_Weight	177.22
316724	Isotope_Atom_Count	0
58143010	Mono_Isotopic_Weight	116.047344113
15388649	Isotope_Atom_Count	0
57438703	Hydrogen_Bond_Acceptor_Count	6
155560570	Total_Formal_Charge	0
6436633	Hydrogen_Bond_Donor_Count	0
62672	Covalent_Unit_Count	6
5460188	Defined_Atom_Stereo_Count	6
642801	Isotope_Atom_Count	0
140719461	Covalent_Unit_Count	1
76335	Rotatable_Bond_Count	2
542158	Non-hydrogen_Atom_Count	34
5478986	Covalent_Unit_Count	1
361733	Total_Formal_Charge	0
114709	Isotope_Atom_Count	0
15940197	Defined_Atom_Stereo_Count	7
9841259	Undefined_Atom_Stereo_Count	0
6327350	Hydrogen_Bond_Donor_Count	0
521207	Structure_Complexity	323
22805729	Defined_Atom_Stereo_Count	1
124809075	Defined_Atom_Stereo_Count	16
67108443	Undefined_Atom_Stereo_Count	0
11534864	Defined_Bond_Stereo_Count	1
540877	Undefined_Atom_Stereo_Count	6
10347891	Non-hydrogen_Atom_Count	39
68520833	Hydrogen_Bond_Acceptor_Count	4
56846609	Non-hydrogen_Atom_Count	20
13356397	Hydrogen_Bond_Donor_Count	0
71432895	Hydrogen_Bond_Acceptor_Count	4
54343	Molecular_Weight	353.8
119086018	Defined_Atom_Stereo_Count	0
54344827	Undefined_Atom_Stereo_Count	1
16779	Non-hydrogen_Atom_Count	22
44246477	Structure_Complexity	382
163994814	TPSA	59.4
69627068	Structure_Complexity	78.4
596593	XLogP3-AA	2
66489873	Undefined_Atom_Stereo_Count	0
6358	Hydrogen_Bond_Acceptor_Count	0
43116	Hydrogen_Bond_Acceptor_Count	14
12922658	Mono_Isotopic_Weight	581.35638220
71744109	Total_Formal_Charge	0
7915	XLogP3-AA	0.9
41331	Mono_Isotopic_Weight	144.04225873
162290	Non-hydrogen_Atom_Count	46
154416437	Rotatable_Bond_Count	0
24181476	Defined_Atom_Stereo_Count	0
692450	Total_Formal_Charge	0
57174031	Covalent_Unit_Count	1
565684	Undefined_Bond_Stereo_Count	1
72494242	Covalent_Unit_Count	1
307975	Hydrogen_Bond_Donor_Count	1
5324166	Rotatable_Bond_Count	2
16996	Mono_Isotopic_Weight	179.996103
373735	Rotatable_Bond_Count	8
20158038	Hydrogen_Bond_Acceptor_Count	1
11105327	TPSA	30.7
19032309	Hydrogen_Bond_Donor_Count	2
44120020	Defined_Bond_Stereo_Count	0
136255	XLogP3-AA	3
3566445	TPSA	79.6
31227	Covalent_Unit_Count	1
6361	Exact_Mass	78.0236279
530132	Covalent_Unit_Count	1
11248738	Structure_Complexity	870
53484514	Hydrogen_Bond_Acceptor_Count	3
12047567	Hydrogen_Bond_Acceptor_Count	19
12758013	Undefined_Bond_Stereo_Count	0
58478000	Defined_Atom_Stereo_Count	0
4579	Exact_Mass	428.32904526
3375	Mono_Isotopic_Weight	410.19048031
504	Tautomer_Count	5
57392165	Defined_Atom_Stereo_Count	0
4687	Defined_Atom_Stereo_Count	0
31361	XLogP3-AA	1.4
8306	Defined_Atom_Stereo_Count	0
71582942	TPSA	63.2
689043	Total_Formal_Charge	0
57258462	Covalent_Unit_Count	1
13531384	Isotope_Atom_Count	0
16533	Molecular_Weight	476.6
107656	Total_Formal_Charge	0
16231	Defined_Bond_Stereo_Count	0
8194	Defined_Bond_Stereo_Count	0
10750	Hydrogen_Bond_Donor_Count	4
54610537	Isotope_Atom_Count	0
54276448	XLogP3-AA	0.7
20035294	Isotope_Atom_Count	0
86277	Structure_Complexity	370
123292394	Rotatable_Bond_Count	0
135484549	Isotope_Atom_Count	0
16395904	Total_Formal_Charge	0
22910010	Exact_Mass	112.088815002
21806052	XLogP3-AA	0.4
135027	Total_Formal_Charge	0
9939594	TPSA	231
21282995	Exact_Mass	96.068748264
87671446	Exact_Mass	112.027277375
137117239	Covalent_Unit_Count	1
10347501	Exact_Mass	549.16353150
3826	Rotatable_Bond_Count	3
6419888	Hydrogen_Bond_Donor_Count	2
57215030	Molecular_Weight	108.14
6529	Molecular_Weight	368.4
135398559	Non-hydrogen_Atom_Count	34
6148	Molecular_Weight	275.4
6917975	Structure_Complexity	1040
143852	Tautomer_Count	1
162404783	Total_Formal_Charge	0
517348	Hydrogen_Bond_Acceptor_Count	2
33944	Hydrogen_Bond_Acceptor_Count	2
6950286	Covalent_Unit_Count	1
4054	Structure_Complexity	240
54077874	Hydrogen_Bond_Donor_Count	0
101094784	Non-hydrogen_Atom_Count	28
95713	TPSA	26.8
62165	XLogP3-AA	7.7
153305234	Undefined_Atom_Stereo_Count	4
5158	Hydrogen_Bond_Acceptor_Count	26
44394119	Mono_Isotopic_Weight	599.23778211
161218	Structure_Complexity	580
43013	Hydrogen_Bond_Donor_Count	1
2723866	Hydrogen_Bond_Donor_Count	6
66036956	Isotope_Atom_Count	0
10754	Non-hydrogen_Atom_Count	16
56654130	Structure_Complexity	851
6922967	Mono_Isotopic_Weight	166.123189134
160157	Non-hydrogen_Atom_Count	13
1305	Exact_Mass	466.33077660
13352438	Hydrogen_Bond_Acceptor_Count	2
22628	Rotatable_Bond_Count	1
5363229	Rotatable_Bond_Count	4
13192	Structure_Complexity	169
12580406	Hydrogen_Bond_Donor_Count	2
69532978	Exact_Mass	115.063328530
651092	Hydrogen_Bond_Acceptor_Count	7
10440976	Total_Formal_Charge	0
453131	XLogP3	0.9
3616	XLogP3-AA	0.3
77529	Covalent_Unit_Count	1
119093923	Rotatable_Bond_Count	1
49248	Defined_Atom_Stereo_Count	0
54580	TPSA	106
119097769	XLogP3-AA	0.6
5991	Structure_Complexity	505
698364	Undefined_Bond_Stereo_Count	0
2603	Undefined_Bond_Stereo_Count	0
67214	Molecular_Weight	406.4
81540	Structure_Complexity	54
41331	Molecular_Weight	144.12
11992	Molecular_Weight	172.02
3037206	Defined_Atom_Stereo_Count	12
7750	Structure_Complexity	76.1
93357	Structure_Complexity	643
71171	Total_Formal_Charge	0
74141	TPSA	75.7
157690	Exact_Mass	540.13779329
95559	Undefined_Atom_Stereo_Count	1
77051	XLogP3-AA	1.4
10762413	Hydrogen_Bond_Acceptor_Count	3
87962	Non-hydrogen_Atom_Count	15
44578649	Rotatable_Bond_Count	7
124094	Exact_Mass	522.12722861
19773393	Covalent_Unit_Count	1
23238	Mono_Isotopic_Weight	88.088815002
3822	TPSA	69.7
23677992	Tautomer_Count	4
54125435	Undefined_Atom_Stereo_Count	0
756	Hydrogen_Bond_Acceptor_Count	2
138402871	Rotatable_Bond_Count	11
2005	TPSA	66.4
755686	Defined_Bond_Stereo_Count	0
90996	Molecular_Weight	328.9
53687318	Undefined_Atom_Stereo_Count	0
53910938	XLogP3-AA	3
5242420	Structure_Complexity	297
59021	TPSA	107
14444485	Hydrogen_Bond_Acceptor_Count	7
66827	Hydrogen_Bond_Acceptor_Count	2
15070	XLogP3	0.2
2724372	Hydrogen_Bond_Donor_Count	1
11960468	Defined_Bond_Stereo_Count	0
642325	Defined_Bond_Stereo_Count	0
9082	Non-hydrogen_Atom_Count	5
12493366	Total_Formal_Charge	0
155288862	Structure_Complexity	401
118505252	Structure_Complexity	113
69602	Defined_Atom_Stereo_Count	0
10000989	TPSA	68
139024314	Defined_Atom_Stereo_Count	5
37933	Defined_Bond_Stereo_Count	0
16987	Defined_Atom_Stereo_Count	0
98887	Undefined_Bond_Stereo_Count	0
9839243	Tautomer_Count	80
165598	Exact_Mass	177.04596439
6806	Isotope_Atom_Count	0
131845588	Rotatable_Bond_Count	0
5656	Undefined_Bond_Stereo_Count	0
2771758	Mono_Isotopic_Weight	162.042927438
102131130	Hydrogen_Bond_Donor_Count	1
661958	Exact_Mass	286.9953820
30999	TPSA	41.8
2529	Mono_Isotopic_Weight	476.1682861
5459213	Non-hydrogen_Atom_Count	54
91696191	Non-hydrogen_Atom_Count	14
130029088	Defined_Bond_Stereo_Count	0
14869	XLogP3	3.9
65246	Total_Formal_Charge	0
6077	Hydrogen_Bond_Donor_Count	0
118665446	Mono_Isotopic_Weight	112.052429494
80690	Molecular_Weight	349.9
78137800	Hydrogen_Bond_Acceptor_Count	2
13986	Tautomer_Count	1
23716436	Undefined_Bond_Stereo_Count	0
3068840	Structure_Complexity	443
520362	XLogP3-AA	2.6
135391044	Rotatable_Bond_Count	9
3172	Isotope_Atom_Count	0
57459753	Structure_Complexity	115
92727	Hydrogen_Bond_Acceptor_Count	5
4885	Tautomer_Count	2
71586635	Non-hydrogen_Atom_Count	30
92187	Rotatable_Bond_Count	1
3793	Undefined_Bond_Stereo_Count	0
403016	Molecular_Weight	455.5
21312986	Undefined_Bond_Stereo_Count	0
140560	XLogP3-AA	0.5
96380	Isotope_Atom_Count	0
10297818	Hydrogen_Bond_Donor_Count	3
3852430	XLogP3-AA	4.2
2763275	Mono_Isotopic_Weight	110.059246208
34306	Exact_Mass	204.11840105
12385064	Hydrogen_Bond_Donor_Count	0
7408	Isotope_Atom_Count	0
688803	Covalent_Unit_Count	1
170295	Structure_Complexity	342
102242605	Undefined_Atom_Stereo_Count	0
135121972	Molecular_Weight	364.8
12999933	Defined_Bond_Stereo_Count	0
59082722	Isotope_Atom_Count	0
15504	XLogP3-AA	4
7663	Hydrogen_Bond_Acceptor_Count	2
123133886	Undefined_Atom_Stereo_Count	1
81416328	Mono_Isotopic_Weight	114.104465066
76223995	Hydrogen_Bond_Acceptor_Count	1
55297293	Rotatable_Bond_Count	0
66965363	Defined_Bond_Stereo_Count	0
91932	Rotatable_Bond_Count	3
9066	Hydrogen_Bond_Donor_Count	1
17564	XLogP3	4.7
12536263	Hydrogen_Bond_Donor_Count	3
12255652	Hydrogen_Bond_Donor_Count	2
9486	Defined_Bond_Stereo_Count	0
15311935	Undefined_Bond_Stereo_Count	0
66597	Undefined_Atom_Stereo_Count	0
71476	Undefined_Bond_Stereo_Count	0
138107	Non-hydrogen_Atom_Count	6
715568	Non-hydrogen_Atom_Count	24
2977	Hydrogen_Bond_Donor_Count	1
4112	Mono_Isotopic_Weight	454.17131583
71076901	Defined_Bond_Stereo_Count	0
5311424	Hydrogen_Bond_Acceptor_Count	3
10042942	Defined_Atom_Stereo_Count	1
44429	Hydrogen_Bond_Acceptor_Count	2
60200126	Undefined_Bond_Stereo_Count	0
6168	Covalent_Unit_Count	1
58708317	Hydrogen_Bond_Acceptor_Count	8
90127780	TPSA	9.2
9835852	TPSA	67.6
51003123	Structure_Complexity	740
98088	Mono_Isotopic_Weight	138.104465066
12902	Hydrogen_Bond_Acceptor_Count	1
135565903	Rotatable_Bond_Count	2
145019560	Total_Formal_Charge	0
138971591	Exact_Mass	108.057514874
23729769	Structure_Complexity	613
5280754	Rotatable_Bond_Count	15
6390	Mono_Isotopic_Weight	149.886454
161656	Isotope_Atom_Count	0
15877745	Total_Formal_Charge	0
1340	Undefined_Bond_Stereo_Count	0
248898	Defined_Bond_Stereo_Count	0
7242	Hydrogen_Bond_Acceptor_Count	1
637921	Exact_Mass	67.042199164
89274700	Total_Formal_Charge	0
44280082	Mono_Isotopic_Weight	257.05104977
166581	Defined_Atom_Stereo_Count	0
5281567	XLogP3-AA	2.4
752	Mono_Isotopic_Weight	106.02660867
51026956	Non-hydrogen_Atom_Count	22
91980486	Covalent_Unit_Count	2
10507011	Defined_Atom_Stereo_Count	0
23688987	Exact_Mass	251.99160210
18719	Covalent_Unit_Count	1
21282995	Total_Formal_Charge	0
6365696	Mono_Isotopic_Weight	280.240230259
66749731	Undefined_Bond_Stereo_Count	0
6433513	Hydrogen_Bond_Acceptor_Count	4
11223	Covalent_Unit_Count	2
36750	Molecular_Weight	341.4
2091	XLogP3-AA	6.8
1241420	Defined_Bond_Stereo_Count	0
13464587	Undefined_Atom_Stereo_Count	0
6947	Non-hydrogen_Atom_Count	10
137704528	Molecular_Weight	843.1
71463826	Exact_Mass	460.39164552
13201	Covalent_Unit_Count	1
16211333	TPSA	38
89990549	Molecular_Weight	103.12
53385491	Mono_Isotopic_Weight	1582.6453481
656668	Total_Formal_Charge	0
276224	Covalent_Unit_Count	1
69501250	Defined_Bond_Stereo_Count	0
22238266	Hydrogen_Bond_Donor_Count	1
59059041	Non-hydrogen_Atom_Count	8
70032924	Covalent_Unit_Count	1
76958	Hydrogen_Bond_Donor_Count	1
81396	Undefined_Bond_Stereo_Count	0
27304	Isotope_Atom_Count	0
20735704	Non-hydrogen_Atom_Count	7
23368	Isotope_Atom_Count	0
6432236	Isotope_Atom_Count	0
457	Molecular_Weight	137.16
87479093	Total_Formal_Charge	0
740525	Isotope_Atom_Count	0
736366	Defined_Bond_Stereo_Count	0
44443933	Defined_Atom_Stereo_Count	6
4184	Isotope_Atom_Count	0
9494	Defined_Atom_Stereo_Count	0
8818	Tautomer_Count	2
23533634	Rotatable_Bond_Count	1
6982	Defined_Bond_Stereo_Count	0
3707	Undefined_Bond_Stereo_Count	0
666418	XLogP3-AA	1.5
224844	XLogP3-AA	2.3
18542107	Covalent_Unit_Count	1
65910	Hydrogen_Bond_Acceptor_Count	11
9087	Molecular_Weight	171.15
24774737	Defined_Bond_Stereo_Count	0
11501341	Covalent_Unit_Count	1
5271565	Mono_Isotopic_Weight	144.04225873
126968495	Structure_Complexity	1370
123840	Molecular_Weight	360.9
3435	Defined_Bond_Stereo_Count	0
11286453	Undefined_Atom_Stereo_Count	0
77845	Defined_Atom_Stereo_Count	0
59227	Hydrogen_Bond_Donor_Count	1
24472	Tautomer_Count	1
127053480	Total_Formal_Charge	0
42626880	Structure_Complexity	1230
509554	Exact_Mass	356.16371127
112239	TPSA	26.3
161656	Tautomer_Count	1
10258195	Non-hydrogen_Atom_Count	43
28125489	Non-hydrogen_Atom_Count	17
38350	Hydrogen_Bond_Donor_Count	0
20224712	Undefined_Atom_Stereo_Count	0
589692	Molecular_Weight	146.15
153270	Exact_Mass	523.20669828
6063	Total_Formal_Charge	0
129009911	Undefined_Atom_Stereo_Count	0
68933	Mono_Isotopic_Weight	264.06809681
117072551	Covalent_Unit_Count	1
20648653	XLogP3-AA	0.9
123604326	Hydrogen_Bond_Acceptor_Count	1
11154711	Total_Formal_Charge	0
78408892	TPSA	49.7
208954	TPSA	78.3
2763134	Structure_Complexity	90.5
39042	Molecular_Weight	361.8
5326971	Mono_Isotopic_Weight	529.20066941
12210512	Non-hydrogen_Atom_Count	6
12367599	Isotope_Atom_Count	0
148763531	Mono_Isotopic_Weight	107.048347172
90936519	Non-hydrogen_Atom_Count	85
15721166	Defined_Atom_Stereo_Count	0
43858	Mono_Isotopic_Weight	116.120115130
80782	Defined_Atom_Stereo_Count	0
123494194	Total_Formal_Charge	0
375481	Isotope_Atom_Count	0
22967002	Isotope_Atom_Count	0
56842108	Covalent_Unit_Count	2
83826166	Rotatable_Bond_Count	3
5343	Non-hydrogen_Atom_Count	19
131634493	Rotatable_Bond_Count	48
5329016	Total_Formal_Charge	0
119435	XLogP3	3.4
668508	Rotatable_Bond_Count	4
151205	Hydrogen_Bond_Donor_Count	2
24752885	Structure_Complexity	311
11716665	Undefined_Atom_Stereo_Count	0
158786	Hydrogen_Bond_Donor_Count	4
65646	Non-hydrogen_Atom_Count	32
8189	Rotatable_Bond_Count	9
10633	Molecular_Weight	304.5
23926	Defined_Bond_Stereo_Count	0
42613186	Structure_Complexity	873
6927356	Defined_Bond_Stereo_Count	0
69204	Non-hydrogen_Atom_Count	8
12397138	Undefined_Atom_Stereo_Count	3
65394	Undefined_Bond_Stereo_Count	0
11060054	Undefined_Atom_Stereo_Count	0
121250	Rotatable_Bond_Count	2
9568069	XLogP3	1
66684386	Hydrogen_Bond_Donor_Count	1
158797	Exact_Mass	303.1389920
66733	Mono_Isotopic_Weight	217.05613515
24180709	Hydrogen_Bond_Donor_Count	4
16167454	Molecular_Weight	2099.5
7048523	Defined_Bond_Stereo_Count	0
65709	Rotatable_Bond_Count	8
56965681	Defined_Atom_Stereo_Count	0
41264	Isotope_Atom_Count	0
40302	Structure_Complexity	146
8104	Non-hydrogen_Atom_Count	7
84081255	Isotope_Atom_Count	0
107770	Structure_Complexity	415
11761	Structure_Complexity	220
14017772	TPSA	72.6
4807	Total_Formal_Charge	0
3081078	Covalent_Unit_Count	1
98949	Undefined_Atom_Stereo_Count	3
28858	Defined_Bond_Stereo_Count	0
117326	Molecular_Weight	103.16
3402	Covalent_Unit_Count	1
23265	Isotope_Atom_Count	0
5743835	Hydrogen_Bond_Acceptor_Count	4
21954	Structure_Complexity	143
14197	XLogP3	2.2
53232849	Molecular_Weight	99.13
11170931	Defined_Bond_Stereo_Count	0
439207	Structure_Complexity	1210
20033044	Defined_Bond_Stereo_Count	0
59296081	Total_Formal_Charge	0
119570	Exact_Mass	211.11431873
51346808	Structure_Complexity	638
60196273	Undefined_Bond_Stereo_Count	0
18612333	Hydrogen_Bond_Acceptor_Count	0
115225	Non-hydrogen_Atom_Count	20
156419	Structure_Complexity	422
706326	Mono_Isotopic_Weight	212.02197570
16219580	Hydrogen_Bond_Acceptor_Count	6
3035406	Covalent_Unit_Count	1
14284	Isotope_Atom_Count	0
129797954	Structure_Complexity	153
90055716	Non-hydrogen_Atom_Count	36
5326965	Exact_Mass	169.99802494
66711	Covalent_Unit_Count	1
10103877	Non-hydrogen_Atom_Count	14
135410344	Isotope_Atom_Count	0
12052005	Covalent_Unit_Count	1
5280531	Undefined_Atom_Stereo_Count	0
6435360	Undefined_Atom_Stereo_Count	1
24963	Isotope_Atom_Count	0
3020	Covalent_Unit_Count	1
16054	Structure_Complexity	126
5310966	Mono_Isotopic_Weight	211.110947427
208916	Covalent_Unit_Count	1
2227	Hydrogen_Bond_Donor_Count	4
644113	Molecular_Weight	363.2
5282198	Defined_Atom_Stereo_Count	1
82646	Hydrogen_Bond_Acceptor_Count	3
70697352	Total_Formal_Charge	0
13783	TPSA	127
44349928	Rotatable_Bond_Count	4
49852363	Isotope_Atom_Count	0
936	Exact_Mass	122.048012819
24866733	Undefined_Atom_Stereo_Count	0
123966192	Defined_Atom_Stereo_Count	0
550525	Defined_Bond_Stereo_Count	0
4015	Defined_Bond_Stereo_Count	0
164116	Undefined_Atom_Stereo_Count	1
19089767	Undefined_Bond_Stereo_Count	0
21356	Molecular_Weight	204.01
12591596	Defined_Bond_Stereo_Count	0
177976	Molecular_Weight	375.4
68868	Defined_Atom_Stereo_Count	7
161729	Hydrogen_Bond_Acceptor_Count	4
25116186	Isotope_Atom_Count	0
10176126	Covalent_Unit_Count	1
7908	Molecular_Weight	101.19
10606713	Mono_Isotopic_Weight	113.047678466
443879	Undefined_Atom_Stereo_Count	0
123704170	XLogP3-AA	2.3
11872	Molecular_Weight	198.13
15239355	Mono_Isotopic_Weight	87.032028402
148821664	Defined_Atom_Stereo_Count	0
12470257	Covalent_Unit_Count	1
196330	Undefined_Bond_Stereo_Count	0
12599701	Isotope_Atom_Count	0
219	Molecular_Weight	117.10
3033871	Undefined_Bond_Stereo_Count	0
23724796	Covalent_Unit_Count	1
104807	Mono_Isotopic_Weight	134.08776963
11749	Rotatable_Bond_Count	1
83163	Undefined_Atom_Stereo_Count	0
14852098	Hydrogen_Bond_Acceptor_Count	2
64463	Non-hydrogen_Atom_Count	18
177085	Defined_Atom_Stereo_Count	0
2816578	Hydrogen_Bond_Acceptor_Count	5
11954230	Mono_Isotopic_Weight	364.1376123
54272	Mono_Isotopic_Weight	304.109944368
123223	Exact_Mass	104.083729621
7560	Hydrogen_Bond_Acceptor_Count	1
493662	Molecular_Weight	1139.3
12888377	Hydrogen_Bond_Donor_Count	0
163201191	TPSA	21.6
55284153	Mono_Isotopic_Weight	112.074896272
64371	Hydrogen_Bond_Acceptor_Count	1
46907953	TPSA	49.3
23667548	Defined_Bond_Stereo_Count	0
57551933	Defined_Atom_Stereo_Count	0
91945062	Hydrogen_Bond_Acceptor_Count	1
10176241	Defined_Bond_Stereo_Count	0
69351	Non-hydrogen_Atom_Count	13
71758314	Covalent_Unit_Count	1
25005580	Total_Formal_Charge	0
6990	Structure_Complexity	155
86295	Hydrogen_Bond_Acceptor_Count	11
16637	XLogP3-AA	0.9
4167	TPSA	28.5
64862	Undefined_Bond_Stereo_Count	0
45116684	Defined_Atom_Stereo_Count	0
8046	Mono_Isotopic_Weight	314.24570956
15633846	Covalent_Unit_Count	1
145994598	Undefined_Atom_Stereo_Count	3
71583157	Undefined_Atom_Stereo_Count	0
143060	Undefined_Atom_Stereo_Count	0
633097	XLogP3	2.5
32209	Structure_Complexity	392
124744577	Covalent_Unit_Count	1
556872	Exact_Mass	112.088815002
7915	Rotatable_Bond_Count	2
91465	TPSA	20.2
13165	Defined_Bond_Stereo_Count	0
974	Tautomer_Count	2
86208116	Defined_Bond_Stereo_Count	0
70003	TPSA	17.1
6437850	Structure_Complexity	184
15179483	Defined_Atom_Stereo_Count	1
24827	Non-hydrogen_Atom_Count	9
23695850	Rotatable_Bond_Count	6
3034811	Structure_Complexity	2.8
44119664	Undefined_Atom_Stereo_Count	0
93004	Non-hydrogen_Atom_Count	12
13415147	Undefined_Atom_Stereo_Count	0
59390227	Isotope_Atom_Count	0
15982151	Structure_Complexity	718
4963	TPSA	143
2471	Mono_Isotopic_Weight	364.10929292
10047141	Hydrogen_Bond_Donor_Count	1
11859	Hydrogen_Bond_Acceptor_Count	1
10201696	Mono_Isotopic_Weight	411.26342531
449488	Undefined_Bond_Stereo_Count	0
21590468	Isotope_Atom_Count	0
21542775	TPSA	45.7
44720578	Covalent_Unit_Count	1
70715	Molecular_Weight	96.09
10342	Undefined_Bond_Stereo_Count	0
9854073	XLogP3	2.7
56927704	Non-hydrogen_Atom_Count	53
19930642	Non-hydrogen_Atom_Count	7
2794575	Total_Formal_Charge	0
242722	TPSA	12.9
1491	TPSA	77.8
22061628	Defined_Bond_Stereo_Count	0
17907809	TPSA	69.6
12537312	Structure_Complexity	124
10240761	Hydrogen_Bond_Donor_Count	1
389	Isotope_Atom_Count	0
75502	XLogP3	7.5
23777801	Rotatable_Bond_Count	6
52947103	Rotatable_Bond_Count	7
14081616	Molecular_Weight	110.16
50045	XLogP3-AA	2.4
158434	Undefined_Bond_Stereo_Count	0
40185	Structure_Complexity	77.4
119032	TPSA	108
31388	Isotope_Atom_Count	0
58044734	Covalent_Unit_Count	1
16639	Hydrogen_Bond_Acceptor_Count	2
16132954	Defined_Atom_Stereo_Count	0
103940	Defined_Atom_Stereo_Count	0
12632903	Defined_Atom_Stereo_Count	0
69903	Exact_Mass	207.08954328
10348973	Defined_Atom_Stereo_Count	0
10286834	Non-hydrogen_Atom_Count	25
163628725	Undefined_Atom_Stereo_Count	1
14846	Undefined_Bond_Stereo_Count	0
14027329	Hydrogen_Bond_Acceptor_Count	2
13721252	Isotope_Atom_Count	0
730852	Isotope_Atom_Count	0
102090390	Undefined_Bond_Stereo_Count	0
32169	TPSA	95.7
88578918	Defined_Atom_Stereo_Count	0
7204	Undefined_Atom_Stereo_Count	0
58645437	Hydrogen_Bond_Donor_Count	0
555	Exact_Mass	144.102453689
146808246	TPSA	21.9
135992838	Rotatable_Bond_Count	2
98442	Structure_Complexity	276
17549	Non-hydrogen_Atom_Count	16
12817963	Structure_Complexity	113
12563346	Mono_Isotopic_Weight	142.00885060
137249786	Mono_Isotopic_Weight	538.30428706
5289289	XLogP3-AA	1.5
63333521	Defined_Bond_Stereo_Count	0
52945260	Undefined_Bond_Stereo_Count	0
54239389	Molecular_Weight	114.17
28060	Rotatable_Bond_Count	8
87394	Hydrogen_Bond_Donor_Count	0
135398739	Total_Formal_Charge	0
91746164	Mono_Isotopic_Weight	559.07167442
158432	Structure_Complexity	568
114811	Defined_Bond_Stereo_Count	0
5281650	Defined_Bond_Stereo_Count	0
67944290	Exact_Mass	180.06338810
89371029	TPSA	38
7319	Isotope_Atom_Count	0
86154978	Mono_Isotopic_Weight	343.04002688
970	Isotope_Atom_Count	0
18530292	Undefined_Bond_Stereo_Count	0
23677058	Hydrogen_Bond_Acceptor_Count	3
153929434	Structure_Complexity	99.9
195906	Hydrogen_Bond_Acceptor_Count	2
55752	Covalent_Unit_Count	1
17982942	TPSA	48.9
18628727	Undefined_Bond_Stereo_Count	0
8482	Mono_Isotopic_Weight	214.04121336
60810	Structure_Complexity	650
67979346	Total_Formal_Charge	0
153627081	Rotatable_Bond_Count	2
90927	Defined_Atom_Stereo_Count	0
10811	Rotatable_Bond_Count	4
22091090	Undefined_Bond_Stereo_Count	0
709	XLogP3	1.5
1550213	Tautomer_Count	1
44230575	Non-hydrogen_Atom_Count	34
23663992	Tautomer_Count	4
34072	Molecular_Weight	114.19
22125	Defined_Bond_Stereo_Count	0
57004451	Rotatable_Bond_Count	1
16363	Hydrogen_Bond_Acceptor_Count	4
6245	Defined_Atom_Stereo_Count	4
5371102	TPSA	46.5
21336	Structure_Complexity	236
102242	Tautomer_Count	2
10237241	Defined_Bond_Stereo_Count	0
133121364	Mono_Isotopic_Weight	181.06674293
126664809	Hydrogen_Bond_Acceptor_Count	5
9832404	Hydrogen_Bond_Donor_Count	10
87329230	Rotatable_Bond_Count	2
44557554	Exact_Mass	528.27121086
95295	Molecular_Weight	156.01
23708	Structure_Complexity	1770
3254	Mono_Isotopic_Weight	708.37209184
137530132	Covalent_Unit_Count	1
69424	Hydrogen_Bond_Acceptor_Count	1
76065	Undefined_Bond_Stereo_Count	0
14539800	Isotope_Atom_Count	0
21831638	Undefined_Bond_Stereo_Count	0
25171876	Defined_Bond_Stereo_Count	0
53388310	Structure_Complexity	559
8901	Mono_Isotopic_Weight	96.057514874
8562	Non-hydrogen_Atom_Count	19
45040472	Undefined_Bond_Stereo_Count	0
439192	Hydrogen_Bond_Acceptor_Count	6
22385728	Total_Formal_Charge	0
10491069	Molecular_Weight	253.21
68205	Tautomer_Count	5
20093425	Total_Formal_Charge	0
13443454	Hydrogen_Bond_Acceptor_Count	1
19604274	Mono_Isotopic_Weight	192.05349212
78330	Undefined_Atom_Stereo_Count	0
13785328	Rotatable_Bond_Count	7
31	Defined_Atom_Stereo_Count	0
7673	TPSA	44.4
273577	XLogP3-AA	4.4
2581	Undefined_Bond_Stereo_Count	0
292925	Defined_Atom_Stereo_Count	0
54031007	Non-hydrogen_Atom_Count	7
12523	Rotatable_Bond_Count	13
123561422	Molecular_Weight	86.14
66828839	Undefined_Bond_Stereo_Count	0
71245288	Isotope_Atom_Count	0
9128	XLogP3	6.4
24949245	XLogP3-AA	3.8
71451733	Undefined_Bond_Stereo_Count	0
19859	Tautomer_Count	3
94154	TPSA	101
87163	Exact_Mass	124.074896272
45117213	XLogP3	1.7
143378061	TPSA	44.2
4306515	XLogP3-AA	5.1
11418	Isotope_Atom_Count	0
58318269	Molecular_Weight	284.35
6433892	Covalent_Unit_Count	1
3478696	XLogP3-AA	0
6918003	Mono_Isotopic_Weight	348.1716891
54443170	Mono_Isotopic_Weight	98.073164938
60196390	Hydrogen_Bond_Acceptor_Count	6
66666	Exact_Mass	130.078250319
12096747	Mono_Isotopic_Weight	655.41562841
129010364	Structure_Complexity	1220
88396	Hydrogen_Bond_Acceptor_Count	3
139026156	Non-hydrogen_Atom_Count	23
8722	Defined_Atom_Stereo_Count	0
264090	Hydrogen_Bond_Donor_Count	0
11423563	Covalent_Unit_Count	1
124918412	XLogP3-AA	2.7
524640	Isotope_Atom_Count	0
141010	Defined_Atom_Stereo_Count	0
116161184	Covalent_Unit_Count	1
43961	Total_Formal_Charge	0
40030	Defined_Atom_Stereo_Count	0
12919209	XLogP3-AA	0.5
158389	Rotatable_Bond_Count	0
67518639	Undefined_Bond_Stereo_Count	0
13315542	Isotope_Atom_Count	0
454	Tautomer_Count	2
3033871	Tautomer_Count	2
95308	Exact_Mass	129.078978594
10931394	XLogP3-AA	0.2
57825229	Defined_Bond_Stereo_Count	0
40479693	Covalent_Unit_Count	1
155774	Tautomer_Count	10
20469	Total_Formal_Charge	0
7450	Covalent_Unit_Count	1
36688153	Isotope_Atom_Count	0
61664	Molecular_Weight	116.18
52893	Hydrogen_Bond_Acceptor_Count	2
21349800	Defined_Bond_Stereo_Count	0
1072	Hydrogen_Bond_Donor_Count	5
44429	Undefined_Bond_Stereo_Count	0
6436633	Tautomer_Count	1
1727	Undefined_Bond_Stereo_Count	0
13516401	Defined_Atom_Stereo_Count	0
987917	Defined_Atom_Stereo_Count	0
135392460	Hydrogen_Bond_Acceptor_Count	1
149096	Tautomer_Count	1
66755	Exact_Mass	138.068079557
2303	Undefined_Bond_Stereo_Count	0
57750364	Undefined_Atom_Stereo_Count	1
92023654	Molecular_Weight	665.7
433294	Total_Formal_Charge	0
11964036	Structure_Complexity	1010
11979316	Exact_Mass	2138.8695618
154522078	Total_Formal_Charge	0
149519	Molecular_Weight	348.4
72941779	Isotope_Atom_Count	0
135442966	Structure_Complexity	1840
12997	Total_Formal_Charge	0
131162679	Mono_Isotopic_Weight	117.078978594
73707427	Structure_Complexity	688
141630	Defined_Atom_Stereo_Count	0
198791	Molecular_Weight	293.12
5702049	Undefined_Bond_Stereo_Count	0
3022	Defined_Bond_Stereo_Count	0
31492	Structure_Complexity	120
16212481	Exact_Mass	422.07686844
841462	Exact_Mass	333.0390411
16399351	Isotope_Atom_Count	0
20514191	Exact_Mass	99.104799419
10866282	Undefined_Bond_Stereo_Count	0
3710788	Total_Formal_Charge	0
515	Hydrogen_Bond_Acceptor_Count	7
24900749	Defined_Atom_Stereo_Count	1
62616	Undefined_Atom_Stereo_Count	0
81902	Rotatable_Bond_Count	1
36559	Mono_Isotopic_Weight	236.156500638
9958278	XLogP3-AA	5.4
885959	Defined_Atom_Stereo_Count	0
4402	Non-hydrogen_Atom_Count	24
13485108	Non-hydrogen_Atom_Count	8
12542	Undefined_Bond_Stereo_Count	0
66965363	Undefined_Atom_Stereo_Count	0
56841980	Hydrogen_Bond_Donor_Count	5
32429	Undefined_Atom_Stereo_Count	0
6918546	XLogP3-AA	0.8
6424	Exact_Mass	309.80265
25014762	TPSA	66
89621	Total_Formal_Charge	0
501640	Defined_Bond_Stereo_Count	0
135643052	Defined_Bond_Stereo_Count	1
8678	Defined_Bond_Stereo_Count	0
6828	Isotope_Atom_Count	0
16217852	XLogP3-AA	0.4
130153178	Structure_Complexity	126
89576913	Undefined_Bond_Stereo_Count	0
134823960	Non-hydrogen_Atom_Count	19
9839190	Exact_Mass	297.147726857
91465979	Hydrogen_Bond_Acceptor_Count	3
12348	Defined_Atom_Stereo_Count	0
5003096	Rotatable_Bond_Count	3
5817	Hydrogen_Bond_Donor_Count	1
53970191	XLogP3-AA	1.7
5746414	Hydrogen_Bond_Acceptor_Count	3
10220680	Molecular_Weight	254.69
8934	Mono_Isotopic_Weight	319.1658058
3064224	Hydrogen_Bond_Donor_Count	2
2755709	Defined_Bond_Stereo_Count	0
16280	Isotope_Atom_Count	0
22225791	Isotope_Atom_Count	0
84647615	Hydrogen_Bond_Acceptor_Count	3
132998	Rotatable_Bond_Count	6
69507	Exact_Mass	260.02971899
101828545	Undefined_Bond_Stereo_Count	0
16078973	Isotope_Atom_Count	0
18402	Isotope_Atom_Count	0
31070	Exact_Mass	303.10580174
6451325	Defined_Atom_Stereo_Count	4
12110098	Defined_Bond_Stereo_Count	0
900	Undefined_Atom_Stereo_Count	5
21513403	Total_Formal_Charge	0
71352	Isotope_Atom_Count	0
40442	Structure_Complexity	275
25015	Defined_Atom_Stereo_Count	4
2771013	Rotatable_Bond_Count	1
175854	Defined_Bond_Stereo_Count	1
7594067	Mono_Isotopic_Weight	343.10243389
20387231	Covalent_Unit_Count	1
46187519	Hydrogen_Bond_Donor_Count	1
14146878	Mono_Isotopic_Weight	113.084063974
20062980	Mono_Isotopic_Weight	117.01385337
19778718	Mono_Isotopic_Weight	112.052429494
77749	Mono_Isotopic_Weight	113.047678466
20279	Structure_Complexity	338
20277171	Defined_Bond_Stereo_Count	0
15567528	TPSA	41.1
139590517	Defined_Bond_Stereo_Count	0
135722088	Total_Formal_Charge	0
6022	Defined_Atom_Stereo_Count	4
160565	Covalent_Unit_Count	1
137643	Exact_Mass	112.088815002
441278	Molecular_Weight	285.4
415267	Hydrogen_Bond_Donor_Count	0
6904	Defined_Bond_Stereo_Count	0
13007516	Defined_Atom_Stereo_Count	0
10034073	Covalent_Unit_Count	1
78377	Total_Formal_Charge	0
44308032	Hydrogen_Bond_Acceptor_Count	4
10704	Hydrogen_Bond_Acceptor_Count	1
10909501	Tautomer_Count	1
54594759	Molecular_Weight	99.13
91667591	Molecular_Weight	978.6
53316385	Mono_Isotopic_Weight	603.1691619
123662875	TPSA	52
5280490	Undefined_Bond_Stereo_Count	0
14923	Total_Formal_Charge	0
54580051	Molecular_Weight	439.6
26033	Tautomer_Count	1
44155874	Hydrogen_Bond_Acceptor_Count	5
6420019	Defined_Atom_Stereo_Count	0
150736	Molecular_Weight	204.18
21331354	Mono_Isotopic_Weight	115.063328530
14195541	TPSA	20.2
5702162	Non-hydrogen_Atom_Count	25
11656753	Hydrogen_Bond_Donor_Count	2
29656	Mono_Isotopic_Weight	102.104465066
50	Molecular_Weight	194.14
5284613	Tautomer_Count	1
1293762	Isotope_Atom_Count	0
3400	Undefined_Atom_Stereo_Count	0
91945062	Isotope_Atom_Count	0
6857686	TPSA	37.3
40390	Covalent_Unit_Count	2
10201497	Undefined_Atom_Stereo_Count	0
23676755	Total_Formal_Charge	0
13073879	Rotatable_Bond_Count	3
136231689	Total_Formal_Charge	0
5846454	Undefined_Atom_Stereo_Count	0
261501	Mono_Isotopic_Weight	261.06709375
53803	Covalent_Unit_Count	2
18683475	Hydrogen_Bond_Donor_Count	1
136115428	Defined_Bond_Stereo_Count	0
135465077	Isotope_Atom_Count	0
4216	Defined_Atom_Stereo_Count	0
5284585	Hydrogen_Bond_Acceptor_Count	5
4904	Non-hydrogen_Atom_Count	22
6931310	Molecular_Weight	268.33
3693	Undefined_Bond_Stereo_Count	0
823887	Non-hydrogen_Atom_Count	20
35805	Defined_Atom_Stereo_Count	2
71389631	Exact_Mass	108.057514874
51047	Hydrogen_Bond_Acceptor_Count	3
3580	Defined_Bond_Stereo_Count	0
146158693	Total_Formal_Charge	0
107656	Exact_Mass	592.3059301
15150444	Undefined_Atom_Stereo_Count	0
5771	TPSA	450
10780	Tautomer_Count	1
14671573	XLogP3-AA	1.8
76771601	Mono_Isotopic_Weight	114.104465066
21560064	Non-hydrogen_Atom_Count	8
5363269	Defined_Atom_Stereo_Count	0
58550597	Isotope_Atom_Count	0
41583	Defined_Atom_Stereo_Count	0
20473	Molecular_Weight	196.34
16227342	Undefined_Bond_Stereo_Count	0
16733194	Undefined_Atom_Stereo_Count	0
67112	Covalent_Unit_Count	1
144381	Defined_Bond_Stereo_Count	0
12339043	Hydrogen_Bond_Acceptor_Count	1
94811	Non-hydrogen_Atom_Count	6
123047	Total_Formal_Charge	0
66615705	Exact_Mass	508.1695764
13360	Molecular_Weight	130.14
27503	Rotatable_Bond_Count	6
543014	Total_Formal_Charge	0
123923329	Rotatable_Bond_Count	13
11829400	TPSA	54
37632	Total_Formal_Charge	0
60196306	Covalent_Unit_Count	1
5400866	Isotope_Atom_Count	0
551387	Defined_Bond_Stereo_Count	0
11859	Isotope_Atom_Count	0
67923265	Hydrogen_Bond_Donor_Count	1
19070644	Hydrogen_Bond_Donor_Count	0
825229	Covalent_Unit_Count	1
11614	Structure_Complexity	43.3
74219	Hydrogen_Bond_Donor_Count	1
6927356	Undefined_Atom_Stereo_Count	0
23671562	Non-hydrogen_Atom_Count	40
14920523	Defined_Atom_Stereo_Count	0
11921	Defined_Atom_Stereo_Count	0
224241	TPSA	9.2
131704328	Non-hydrogen_Atom_Count	26
83517	Molecular_Weight	492.43
517546	Defined_Bond_Stereo_Count	0
168928	Structure_Complexity	878
123451	Total_Formal_Charge	0
150929	Covalent_Unit_Count	1
89162323	Isotope_Atom_Count	0
9548659	Undefined_Atom_Stereo_Count	0
16036825	Total_Formal_Charge	0
132399083	Hydrogen_Bond_Donor_Count	7
148241675	Defined_Atom_Stereo_Count	0
12702413	Covalent_Unit_Count	1
63198	Isotope_Atom_Count	0
71681473	Isotope_Atom_Count	0
140535901	Covalent_Unit_Count	1
9806615	Undefined_Bond_Stereo_Count	0
8060	Non-hydrogen_Atom_Count	6
11593	Undefined_Atom_Stereo_Count	0
135643052	XLogP3-AA	1.1
96268	Hydrogen_Bond_Acceptor_Count	4
133083713	Covalent_Unit_Count	1
126737575	Hydrogen_Bond_Donor_Count	1
27903	TPSA	159
134687906	Hydrogen_Bond_Acceptor_Count	16
78383862	TPSA	74.6
12336279	TPSA	15.6
41718	Hydrogen_Bond_Donor_Count	0
9871420	Molecular_Weight	522.6
90551	Defined_Bond_Stereo_Count	0
15130858	Undefined_Bond_Stereo_Count	0
2724368	Non-hydrogen_Atom_Count	12
86609	Covalent_Unit_Count	1
361610	Molecular_Weight	293.27
130028471	Non-hydrogen_Atom_Count	8
18160	Hydrogen_Bond_Donor_Count	0
21452207	Mono_Isotopic_Weight	96.057514874
74685737	Covalent_Unit_Count	1
136346	Undefined_Bond_Stereo_Count	0
9574101	Undefined_Bond_Stereo_Count	0
69111	Defined_Atom_Stereo_Count	0
47721	TPSA	0
11674	Hydrogen_Bond_Acceptor_Count	2
12049	Hydrogen_Bond_Donor_Count	1
53869954	Defined_Atom_Stereo_Count	0
12531954	Mono_Isotopic_Weight	112.063662883
4609	Structure_Complexity	191
6538999	Undefined_Atom_Stereo_Count	1
33353	TPSA	83.1
54586720	Defined_Bond_Stereo_Count	0
439213	Rotatable_Bond_Count	1
88603	Rotatable_Bond_Count	7
73442840	Isotope_Atom_Count	6
135399235	Hydrogen_Bond_Donor_Count	2
101684738	Hydrogen_Bond_Donor_Count	1
73086	Non-hydrogen_Atom_Count	11
58645437	Isotope_Atom_Count	0
9832383	Structure_Complexity	679
7980	Hydrogen_Bond_Acceptor_Count	7
67628	Hydrogen_Bond_Donor_Count	0
89405665	Mono_Isotopic_Weight	102.079312947
49862627	Hydrogen_Bond_Donor_Count	1
50262	XLogP3-AA	1
265520	Hydrogen_Bond_Acceptor_Count	2
598696	Exact_Mass	338.0822054
72661	Total_Formal_Charge	0
61071	Undefined_Bond_Stereo_Count	1
91825644	Hydrogen_Bond_Acceptor_Count	3
5377022	Undefined_Bond_Stereo_Count	0
6918446	Isotope_Atom_Count	0
24762228	Undefined_Bond_Stereo_Count	0
13586	Undefined_Bond_Stereo_Count	0
805985	Non-hydrogen_Atom_Count	23
134613	Molecular_Weight	270.28
498716	Undefined_Bond_Stereo_Count	0
22463839	Exact_Mass	107.073499291
10290773	Hydrogen_Bond_Donor_Count	2
247469	TPSA	40.5
76008	Structure_Complexity	57.6
86289378	Structure_Complexity	4390
10337564	Exact_Mass	344.152477885
10297043	Defined_Atom_Stereo_Count	1
5231957	Hydrogen_Bond_Donor_Count	2
46224600	Hydrogen_Bond_Donor_Count	18
57265913	Undefined_Atom_Stereo_Count	2
10232719	Covalent_Unit_Count	1
130150414	Isotope_Atom_Count	0
91820403	Defined_Bond_Stereo_Count	0
57459334	Molecular_Weight	104.15
24678	Undefined_Atom_Stereo_Count	0
1549000	Mono_Isotopic_Weight	388.1553704
21019405	Covalent_Unit_Count	1
153031243	XLogP3-AA	2.2
9839581	Total_Formal_Charge	0
2733224	TPSA	47.4
77038	Rotatable_Bond_Count	4
409535	Total_Formal_Charge	0
612	Tautomer_Count	1
14178853	Hydrogen_Bond_Donor_Count	0
17178037	XLogP3-AA	0.1
57249823	Structure_Complexity	148
950975	Isotope_Atom_Count	0
12240030	Covalent_Unit_Count	1
144531850	Undefined_Atom_Stereo_Count	0
119205	Molecular_Weight	358.4
13134	Defined_Atom_Stereo_Count	0
53318409	Undefined_Atom_Stereo_Count	0
5727	Rotatable_Bond_Count	0
4143	Structure_Complexity	552
76969110	Non-hydrogen_Atom_Count	81
145744	Tautomer_Count	2
53316417	Hydrogen_Bond_Acceptor_Count	11
11116540	Molecular_Weight	173.33
85325038	Undefined_Atom_Stereo_Count	2
10046404	Non-hydrogen_Atom_Count	29
79096	Hydrogen_Bond_Acceptor_Count	1
44358318	Mono_Isotopic_Weight	450.15421043
72207871	Covalent_Unit_Count	1
123648	Mono_Isotopic_Weight	198.99392881
44134800	Total_Formal_Charge	0
246511	Defined_Bond_Stereo_Count	0
93154	Structure_Complexity	390
517546	Molecular_Weight	225.3
69332685	Covalent_Unit_Count	1
439243	Covalent_Unit_Count	7
67246787	Hydrogen_Bond_Donor_Count	1
18349198	Hydrogen_Bond_Donor_Count	1
41967	Tautomer_Count	1
60196440	Hydrogen_Bond_Donor_Count	2
3140	Hydrogen_Bond_Donor_Count	0
216466	Non-hydrogen_Atom_Count	30
9859	Isotope_Atom_Count	0
197081	Tautomer_Count	171
56949966	Isotope_Atom_Count	0
63952	TPSA	90.8
82111162	TPSA	23.2
56841596	Undefined_Atom_Stereo_Count	7
659218	TPSA	80.7
15477807	Non-hydrogen_Atom_Count	23
97842	XLogP3-AA	2.2
11358	Hydrogen_Bond_Acceptor_Count	1
20849290	Structure_Complexity	154
12304	Covalent_Unit_Count	1
135564847	Hydrogen_Bond_Donor_Count	8
71583271	XLogP3-AA	3.5
59594973	XLogP3-AA	0.2
6518171	Defined_Bond_Stereo_Count	0
89982	Hydrogen_Bond_Donor_Count	2
44392105	Total_Formal_Charge	0
78477	Undefined_Atom_Stereo_Count	0
53826440	Covalent_Unit_Count	1
136093	Mono_Isotopic_Weight	97.089149355
84986	Isotope_Atom_Count	0
146767	XLogP3-AA	1.6
119086017	Rotatable_Bond_Count	1
146156434	Rotatable_Bond_Count	9
643835	Hydrogen_Bond_Donor_Count	0
6918178	Exact_Mass	484.1828081
11309477	Exact_Mass	98.073164938
99049	Molecular_Weight	575.7
7047	Non-hydrogen_Atom_Count	10
655797	XLogP3-AA	1.8
74764517	Defined_Atom_Stereo_Count	0
7738	Mono_Isotopic_Weight	138.068079557
60663	Defined_Atom_Stereo_Count	2
10986277	Undefined_Atom_Stereo_Count	0
129711468	Hydrogen_Bond_Acceptor_Count	3
17961316	Exact_Mass	101.047678466
78739	Isotope_Atom_Count	0
6379	Rotatable_Bond_Count	0
443046	XLogP3	6.1
94020	Non-hydrogen_Atom_Count	22
9827294	Defined_Bond_Stereo_Count	0
75779	Defined_Bond_Stereo_Count	0
528856	Rotatable_Bond_Count	6
69588	Defined_Atom_Stereo_Count	0
22851718	Hydrogen_Bond_Donor_Count	1
10176672	Rotatable_Bond_Count	1
53643991	Undefined_Bond_Stereo_Count	0
69595	Undefined_Atom_Stereo_Count	0
135566069	Molecular_Weight	1569.7
69333434	XLogP3-AA	0.9
64466	Defined_Atom_Stereo_Count	0
10351656	Mono_Isotopic_Weight	100.100048391
701741	Undefined_Atom_Stereo_Count	0
21962760	Total_Formal_Charge	0
15808	Isotope_Atom_Count	0
54675840	Hydrogen_Bond_Donor_Count	2
5765	TPSA	37.3
5360807	Hydrogen_Bond_Acceptor_Count	8
54472110	Defined_Bond_Stereo_Count	0
11800	Defined_Bond_Stereo_Count	0
21817601	Isotope_Atom_Count	0
2997881	Rotatable_Bond_Count	1
9795291	Undefined_Bond_Stereo_Count	0
21720414	Defined_Bond_Stereo_Count	0
164167667	Covalent_Unit_Count	1
446925	Exact_Mass	536.438201786
97268	Non-hydrogen_Atom_Count	16
3641725	Undefined_Bond_Stereo_Count	0
36688207	TPSA	40.1
117479	Covalent_Unit_Count	1
7234	Structure_Complexity	255
11315	Structure_Complexity	523
3489	Covalent_Unit_Count	1
137815	Isotope_Atom_Count	0
2734678	Isotope_Atom_Count	0
3328	Rotatable_Bond_Count	10
821629	Isotope_Atom_Count	0
91760	Covalent_Unit_Count	1
71377	Molecular_Weight	473.4
86186	Covalent_Unit_Count	1
1013432	Hydrogen_Bond_Donor_Count	1
2763788	Exact_Mass	227.05171847
129674754	Mono_Isotopic_Weight	219.05315777
34173590	Hydrogen_Bond_Acceptor_Count	11
119175	Isotope_Atom_Count	0
493570	Exact_Mass	376.13828437
67742	Mono_Isotopic_Weight	309.96877548
736188	Isotope_Atom_Count	0
853433	Non-hydrogen_Atom_Count	12
89534431	XLogP3-AA	0.6
5281650	Undefined_Atom_Stereo_Count	0
6432469	XLogP3-AA	2.7
3081387	Hydrogen_Bond_Acceptor_Count	18
59283	Rotatable_Bond_Count	2
87868	Defined_Bond_Stereo_Count	0
4952	Molecular_Weight	336.5
441348	Isotope_Atom_Count	0
9883149	Molecular_Weight	310.30
687046	Undefined_Bond_Stereo_Count	0
92319	TPSA	23.8
11957463	Defined_Bond_Stereo_Count	0
5281416	Hydrogen_Bond_Donor_Count	2
915	Non-hydrogen_Atom_Count	20
135472943	Undefined_Atom_Stereo_Count	0
90695524	Structure_Complexity	124
12416832	TPSA	122
16202184	Covalent_Unit_Count	1
5460998	Undefined_Atom_Stereo_Count	0
4834	Non-hydrogen_Atom_Count	36
12609613	TPSA	20.2
135399833	Hydrogen_Bond_Donor_Count	7
79633	Structure_Complexity	325
71116366	Non-hydrogen_Atom_Count	41
14214	Undefined_Atom_Stereo_Count	0
22035327	Structure_Complexity	151
19710	Defined_Bond_Stereo_Count	0
13258	Structure_Complexity	220
72258	Molecular_Weight	163.17
24211936	Isotope_Atom_Count	0
5368076	Mono_Isotopic_Weight	170.130679813
87595695	Molecular_Weight	100.16
130541995	Hydrogen_Bond_Donor_Count	0
78422653	Hydrogen_Bond_Acceptor_Count	3
69949	TPSA	34.1
3015009	Covalent_Unit_Count	1
657251	Hydrogen_Bond_Acceptor_Count	7
37723	Tautomer_Count	1
142959	Structure_Complexity	68.4
37968	Non-hydrogen_Atom_Count	29
10378	Exact_Mass	165.042593085
13487238	Rotatable_Bond_Count	0
68023	Hydrogen_Bond_Donor_Count	0
16211839	Tautomer_Count	1
24247	Non-hydrogen_Atom_Count	5
93083	Rotatable_Bond_Count	1
2645	Mono_Isotopic_Weight	557.12501980
69462939	Mono_Isotopic_Weight	112.063662883
547696	XLogP3-AA	1.6
9920369	Molecular_Weight	97.12
4435	Molecular_Weight	406.6
534094	Non-hydrogen_Atom_Count	6
12594991	Hydrogen_Bond_Acceptor_Count	1
446925	Isotope_Atom_Count	0
10031812	Molecular_Weight	620.7
91012209	Hydrogen_Bond_Donor_Count	1
9831415	Structure_Complexity	425
89445694	Hydrogen_Bond_Donor_Count	0
676399	Rotatable_Bond_Count	5
4264	Undefined_Atom_Stereo_Count	8
23091966	Defined_Atom_Stereo_Count	0
659840	Isotope_Atom_Count	0
20243371	Mono_Isotopic_Weight	160.94971364
135611162	Isotope_Atom_Count	0
59899303	Defined_Atom_Stereo_Count	0
57674785	Exact_Mass	111.068413911
77353	Undefined_Atom_Stereo_Count	0
26879	Defined_Atom_Stereo_Count	1
24873277	XLogP3-AA	3
43997	Defined_Bond_Stereo_Count	0
21484	Molecular_Weight	217.57
445420	Total_Formal_Charge	0
15535737	Hydrogen_Bond_Acceptor_Count	2
88707373	Total_Formal_Charge	0
4736391	Hydrogen_Bond_Donor_Count	0
446320	Covalent_Unit_Count	1
90735699	Rotatable_Bond_Count	3
69021	Non-hydrogen_Atom_Count	5
12096001	Covalent_Unit_Count	1
57395973	Undefined_Bond_Stereo_Count	0
5358902	Hydrogen_Bond_Donor_Count	1
36	TPSA	94.8
9868037	Rotatable_Bond_Count	6
8168	Structure_Complexity	110
2366	Mono_Isotopic_Weight	136.100048391
53386711	Hydrogen_Bond_Donor_Count	2
69356	Defined_Atom_Stereo_Count	0
79067	Undefined_Bond_Stereo_Count	0
123619430	Total_Formal_Charge	0
15652148	Defined_Atom_Stereo_Count	0
54071	Tautomer_Count	2
14913584	Molecular_Weight	106.13
18622370	Undefined_Atom_Stereo_Count	0
71587119	TPSA	424
16772299	Hydrogen_Bond_Acceptor_Count	1
77763	Isotope_Atom_Count	0
71434160	Undefined_Atom_Stereo_Count	5
10040	Defined_Atom_Stereo_Count	0
7483	Defined_Atom_Stereo_Count	0
56669107	Mono_Isotopic_Weight	393.17133645
219399	Molecular_Weight	100.12
75171	Mono_Isotopic_Weight	146.141913202
10129	Mono_Isotopic_Weight	138.140850574
23039770	Rotatable_Bond_Count	2
3960	Total_Formal_Charge	0
2415	Structure_Complexity	618
54292	Mono_Isotopic_Weight	320.120115130
6321412	XLogP3	0.2
6603822	Hydrogen_Bond_Donor_Count	3
20265292	TPSA	40.5
3036703	Isotope_Atom_Count	0
517273	Isotope_Atom_Count	0
62341	Molecular_Weight	164.20
28532	Covalent_Unit_Count	1
44154280	Tautomer_Count	6
23423	Hydrogen_Bond_Acceptor_Count	6
5361250	Undefined_Bond_Stereo_Count	0
90884886	Isotope_Atom_Count	0
67371	Hydrogen_Bond_Donor_Count	2
90754	Defined_Atom_Stereo_Count	0
54129211	Rotatable_Bond_Count	1
5288223	Undefined_Bond_Stereo_Count	0
93286	Defined_Atom_Stereo_Count	0
9870652	Undefined_Atom_Stereo_Count	0
6931391	Hydrogen_Bond_Donor_Count	1
320930	Structure_Complexity	444
6440871	Hydrogen_Bond_Acceptor_Count	7
760006	Isotope_Atom_Count	0
6918107	Exact_Mass	319.168462302
11550004	Non-hydrogen_Atom_Count	7
65174	TPSA	221
27774	Defined_Atom_Stereo_Count	0
449619	Structure_Complexity	61.8
57016034	Covalent_Unit_Count	1
31398	Hydrogen_Bond_Donor_Count	0
636362	Exact_Mass	533.1452592
54689800	Rotatable_Bond_Count	4
5486971	Covalent_Unit_Count	1
56955180	Covalent_Unit_Count	1
57441855	Total_Formal_Charge	0
19428628	Isotope_Atom_Count	0
2914	Total_Formal_Charge	0
61056	XLogP3-AA	4.3
129630288	Hydrogen_Bond_Donor_Count	8
137944176	Covalent_Unit_Count	1
121207368	Hydrogen_Bond_Acceptor_Count	1
33353	Total_Formal_Charge	0
20307234	Undefined_Bond_Stereo_Count	0
1548887	Total_Formal_Charge	0
23698052	Covalent_Unit_Count	2
69578	Molecular_Weight	94.03
68602320	Non-hydrogen_Atom_Count	8
5250834	Mono_Isotopic_Weight	150.128274515
81058	Isotope_Atom_Count	0
91122567	TPSA	18.5
21715587	Undefined_Bond_Stereo_Count	0
24825264	Covalent_Unit_Count	1
99147	Isotope_Atom_Count	0
135415794	Undefined_Bond_Stereo_Count	0
4438	Hydrogen_Bond_Donor_Count	3
5284566	Hydrogen_Bond_Donor_Count	1
52942030	Exact_Mass	437.19148337
9548810	Structure_Complexity	140
6046	Non-hydrogen_Atom_Count	8
96381	Exact_Mass	220.146329876
30373	Isotope_Atom_Count	0
20705517	Isotope_Atom_Count	0
8027	Hydrogen_Bond_Acceptor_Count	0
66684	Molecular_Weight	339.2
12543515	Molecular_Weight	59.09
18342355	Total_Formal_Charge	0
22988955	TPSA	26.3
76476	Undefined_Atom_Stereo_Count	0
6441057	Exact_Mass	252.208930132
37888437	TPSA	103
572065	Covalent_Unit_Count	1
86147436	TPSA	29.1
12262509	Defined_Atom_Stereo_Count	1
3559	Rotatable_Bond_Count	6
112711232	Total_Formal_Charge	0
12760717	Exact_Mass	98.059246208
398579	Undefined_Atom_Stereo_Count	0
77405	Structure_Complexity	327
54687772	Rotatable_Bond_Count	8
72104	Rotatable_Bond_Count	1
117072551	Structure_Complexity	854
12097317	Covalent_Unit_Count	1
11661757	Total_Formal_Charge	0
165154846	Mono_Isotopic_Weight	112.052429494
140956	Non-hydrogen_Atom_Count	13
134688474	Isotope_Atom_Count	0
10453	Hydrogen_Bond_Donor_Count	1
15427	Exact_Mass	159.104799419
105421	Structure_Complexity	207
3032732	Undefined_Bond_Stereo_Count	0
24877	Undefined_Atom_Stereo_Count	0
590130	Total_Formal_Charge	0
8658	Covalent_Unit_Count	1
17945614	Covalent_Unit_Count	1
11712071	Non-hydrogen_Atom_Count	32
54582823	XLogP3-AA	1.5
12594656	Covalent_Unit_Count	1
3032792	Structure_Complexity	434
2723816	Mono_Isotopic_Weight	96.01872368
7435	Undefined_Atom_Stereo_Count	0
705715	Molecular_Weight	287.33
124449	Structure_Complexity	505
90375453	Molecular_Weight	100.12
70851	Undefined_Bond_Stereo_Count	0
142906448	Undefined_Atom_Stereo_Count	1
18218196	Covalent_Unit_Count	1
14194342	TPSA	66.8
226764	Defined_Bond_Stereo_Count	0
11679800	Tautomer_Count	1
865974	Hydrogen_Bond_Acceptor_Count	5
2733487	Hydrogen_Bond_Donor_Count	8
6918026	TPSA	401
16732454	Hydrogen_Bond_Donor_Count	2
2762816	Defined_Atom_Stereo_Count	0
25022340	Molecular_Weight	561.7
547678	Structure_Complexity	110
883476	Hydrogen_Bond_Donor_Count	1
256930	Molecular_Weight	247.09
6872	Mono_Isotopic_Weight	213.078978594
24946802	Isotope_Atom_Count	0
442972	Total_Formal_Charge	0
72775170	TPSA	58.6
25062766	Rotatable_Bond_Count	6
7916	Isotope_Atom_Count	0
7066	Mono_Isotopic_Weight	261.12996879
415628	XLogP3-AA	2
68503813	Covalent_Unit_Count	1
11126224	Isotope_Atom_Count	0
6145	XLogP3	0.8
3191	Rotatable_Bond_Count	10
14257662	Isotope_Atom_Count	0
11159621	Tautomer_Count	23
91635	Non-hydrogen_Atom_Count	18
5426	Structure_Complexity	449
5516	Defined_Atom_Stereo_Count	0
131999	Defined_Bond_Stereo_Count	0
61124202	Total_Formal_Charge	0
71726	XLogP3-AA	1.2
140990657	TPSA	44.5
4806	XLogP3	1.1
781	Total_Formal_Charge	0
80037	Covalent_Unit_Count	1
50980	Hydrogen_Bond_Acceptor_Count	7
21122483	TPSA	0
5281116	Isotope_Atom_Count	0
21547072	Non-hydrogen_Atom_Count	7
734999	Undefined_Bond_Stereo_Count	0
83996	Isotope_Atom_Count	0
17480032	Total_Formal_Charge	0
11051613	Undefined_Atom_Stereo_Count	1
142262	Total_Formal_Charge	0
24680	Hydrogen_Bond_Acceptor_Count	1
23714994	Total_Formal_Charge	0
150986	Hydrogen_Bond_Acceptor_Count	3
135554441	Rotatable_Bond_Count	6
11921	Defined_Bond_Stereo_Count	0
66545744	Defined_Atom_Stereo_Count	2
181583	Undefined_Atom_Stereo_Count	1
2153	Structure_Complexity	267
54610154	Structure_Complexity	1090
98771	Hydrogen_Bond_Acceptor_Count	4
656404	XLogP3-AA	4.6
3140	Isotope_Atom_Count	0
13272656	Total_Formal_Charge	0
435439	Non-hydrogen_Atom_Count	51
9869929	Structure_Complexity	642
84647611	Hydrogen_Bond_Donor_Count	1
90927	Defined_Bond_Stereo_Count	0
638034	Structure_Complexity	596
25070195	Hydrogen_Bond_Acceptor_Count	5
55397	Total_Formal_Charge	0
136461	Mono_Isotopic_Weight	66.0469501914
77266	Exact_Mass	421.0679680
208832	Covalent_Unit_Count	1
10436	Mono_Isotopic_Weight	124.052429494
53687318	Hydrogen_Bond_Donor_Count	3
53316474	Isotope_Atom_Count	0
27182	TPSA	21.3
33068	Exact_Mass	360.80944
471360	Hydrogen_Bond_Donor_Count	0
11159354	Structure_Complexity	134
23103366	Isotope_Atom_Count	0
104764	Isotope_Atom_Count	0
45238	Undefined_Bond_Stereo_Count	0
5311466	Isotope_Atom_Count	0
3383	Hydrogen_Bond_Donor_Count	2
253613	XLogP3-AA	5.6
5355026	Exact_Mass	218.167065321
452245	Defined_Bond_Stereo_Count	0
392622	Molecular_Weight	720.9
54129211	Molecular_Weight	94.11
20722796	Hydrogen_Bond_Donor_Count	0
135979919	Non-hydrogen_Atom_Count	24
24208	Hydrogen_Bond_Acceptor_Count	3
6436219	Rotatable_Bond_Count	1
11409	Hydrogen_Bond_Donor_Count	0
17572160	Rotatable_Bond_Count	31
74255	TPSA	134
118010650	Structure_Complexity	77.7
89040398	Undefined_Bond_Stereo_Count	0
97289	Undefined_Atom_Stereo_Count	0
53756508	Rotatable_Bond_Count	1
67383967	Defined_Bond_Stereo_Count	0
9797360	Defined_Atom_Stereo_Count	0
134694652	Defined_Bond_Stereo_Count	1
11675388	Total_Formal_Charge	0
4549	Hydrogen_Bond_Donor_Count	2
11868	Undefined_Atom_Stereo_Count	0
73707356	TPSA	145
98650	Tautomer_Count	1
320272	XLogP3-AA	1.6
27697	Exact_Mass	201.151749610
5282175	Non-hydrogen_Atom_Count	30
54332589	Hydrogen_Bond_Acceptor_Count	1
16051997	Defined_Bond_Stereo_Count	0
65773	XLogP3-AA	2
86380	Covalent_Unit_Count	1
16685262	Defined_Bond_Stereo_Count	0
24776149	Undefined_Atom_Stereo_Count	0
94462	Undefined_Atom_Stereo_Count	0
28102	TPSA	38.8
4676	Molecular_Weight	339.4
213040	Undefined_Atom_Stereo_Count	1
38040	Mono_Isotopic_Weight	289.922361
57396593	Undefined_Atom_Stereo_Count	0
5246420	Molecular_Weight	280.50
56283	Hydrogen_Bond_Acceptor_Count	7
14989493	Undefined_Atom_Stereo_Count	0
5364448	Structure_Complexity	53.1
84148	Mono_Isotopic_Weight	112.063662883
14852477	Defined_Atom_Stereo_Count	0
22643208	Exact_Mass	456.1265505
9843028	Isotope_Atom_Count	0
18343309	Rotatable_Bond_Count	2
18768052	Defined_Atom_Stereo_Count	0
37542	Structure_Complexity	304
127394	Structure_Complexity	389
91423682	Undefined_Bond_Stereo_Count	0
61583	Non-hydrogen_Atom_Count	18
2163	Covalent_Unit_Count	1
73813	Rotatable_Bond_Count	0
54572793	TPSA	45.1
42645244	Molecular_Weight	477.6
62306	Molecular_Weight	260.11
14931	TPSA	59.3
78201192	Hydrogen_Bond_Acceptor_Count	2
251070	TPSA	52.6
69188	Tautomer_Count	1
65506	Mono_Isotopic_Weight	536.30172086
158980	Hydrogen_Bond_Donor_Count	2
131110184	Rotatable_Bond_Count	2
5462310	Undefined_Atom_Stereo_Count	0
102426204	Rotatable_Bond_Count	6
8282	Exact_Mass	119.094628657
165870	Hydrogen_Bond_Acceptor_Count	3
476	Non-hydrogen_Atom_Count	14
68692	Defined_Bond_Stereo_Count	0
5460364	Hydrogen_Bond_Donor_Count	0
30541	Molecular_Weight	277.4
197148	Tautomer_Count	1
57681561	Mono_Isotopic_Weight	393.21781779
5458730	Structure_Complexity	1210
11349505	Structure_Complexity	315
78170	Non-hydrogen_Atom_Count	18
102213	Rotatable_Bond_Count	3
61141	Hydrogen_Bond_Donor_Count	0
8286	TPSA	0
2737403	Isotope_Atom_Count	0
159501	Defined_Bond_Stereo_Count	0
15178985	Undefined_Bond_Stereo_Count	0
104607	Defined_Atom_Stereo_Count	0
56846240	Undefined_Bond_Stereo_Count	0
7806	Structure_Complexity	66.9
60992	Covalent_Unit_Count	2
42521	Non-hydrogen_Atom_Count	29
34154	Non-hydrogen_Atom_Count	17
92386	Covalent_Unit_Count	1
12398	Covalent_Unit_Count	1
135413505	Hydrogen_Bond_Acceptor_Count	8
91772	Isotope_Atom_Count	0
5904	Molecular_Weight	334.4
12557376	Structure_Complexity	42.8
23687713	Covalent_Unit_Count	4
62871	Undefined_Atom_Stereo_Count	0
25067547	Tautomer_Count	16
5270	XLogP3	0.4
14917	Undefined_Bond_Stereo_Count	0
557171	Total_Formal_Charge	0
65094	Covalent_Unit_Count	1
81166	Exact_Mass	199.06669983
56928061	Mono_Isotopic_Weight	527.23263824
10475633	Non-hydrogen_Atom_Count	28
57335384	Undefined_Atom_Stereo_Count	0
3068840	Molecular_Weight	387.9
10461508	Hydrogen_Bond_Donor_Count	2
4551	Undefined_Bond_Stereo_Count	0
62583	Molecular_Weight	170.25
123899588	Isotope_Atom_Count	0
22220875	Total_Formal_Charge	0
13393280	Rotatable_Bond_Count	3
705472	Exact_Mass	326.07903816
54870	Undefined_Atom_Stereo_Count	1
87820	Non-hydrogen_Atom_Count	13
52944421	Non-hydrogen_Atom_Count	29
121732	Covalent_Unit_Count	1
1097	TPSA	347
248127	Covalent_Unit_Count	1
7017816	Structure_Complexity	88.5
87868	Exact_Mass	242.15180918
6857473	Defined_Atom_Stereo_Count	5
53413800	Isotope_Atom_Count	0
2296	TPSA	114
65955	Defined_Atom_Stereo_Count	0
6133	Hydrogen_Bond_Acceptor_Count	15
135458645	Mono_Isotopic_Weight	846.44150881
71309128	TPSA	110
10024	Mono_Isotopic_Weight	104.083729621
4163	Hydrogen_Bond_Donor_Count	2
15301081	Defined_Bond_Stereo_Count	0
24808	Molecular_Weight	158.35
17963	Non-hydrogen_Atom_Count	22
26798	Hydrogen_Bond_Donor_Count	1
5281969	Structure_Complexity	408
10482544	XLogP3-AA	2.2
1481	Undefined_Atom_Stereo_Count	1
21702	TPSA	25.3
13002	Mono_Isotopic_Weight	72.021129366
96198	Defined_Atom_Stereo_Count	0
56841862	Exact_Mass	375.1612642
136005230	TPSA	54.7
17995822	Isotope_Atom_Count	0
15700781	Rotatable_Bond_Count	2
15558640	Undefined_Bond_Stereo_Count	0
6866	Hydrogen_Bond_Donor_Count	0
87074	Structure_Complexity	123
9912474	Total_Formal_Charge	0
29909	Defined_Bond_Stereo_Count	0
3575	TPSA	26.3
6389	Total_Formal_Charge	0
134167153	Undefined_Bond_Stereo_Count	0
136791	Covalent_Unit_Count	1
53395363	Rotatable_Bond_Count	3
71530	Structure_Complexity	294
260707	XLogP3-AA	1.3
70689830	TPSA	121
11116015	Undefined_Atom_Stereo_Count	2
5283387	Rotatable_Bond_Count	15
55287187	Isotope_Atom_Count	0
195432	Tautomer_Count	1
10992	XLogP3	3.6
76971015	Isotope_Atom_Count	0
57395974	Undefined_Bond_Stereo_Count	0
9547928	Isotope_Atom_Count	0
3206	Hydrogen_Bond_Acceptor_Count	5
138107735	Structure_Complexity	756
2124	Undefined_Bond_Stereo_Count	0
289031	Rotatable_Bond_Count	3
1234	Molecular_Weight	484.6
96380	Defined_Atom_Stereo_Count	0
2723704	Tautomer_Count	3
14202705	Hydrogen_Bond_Acceptor_Count	1
41466	Mono_Isotopic_Weight	130.074227566
298	Isotope_Atom_Count	0
65272	Covalent_Unit_Count	1
72640182	Defined_Atom_Stereo_Count	0
6602480	Non-hydrogen_Atom_Count	40
140050359	Structure_Complexity	109
143342009	Molecular_Weight	95.14
5364759	Total_Formal_Charge	0
70207914	Hydrogen_Bond_Donor_Count	1
119097554	XLogP3-AA	0.7
72618469	Defined_Bond_Stereo_Count	0
128682	Non-hydrogen_Atom_Count	24
23678	Mono_Isotopic_Weight	395.88317
11732	Total_Formal_Charge	0
10192563	Defined_Bond_Stereo_Count	0
551387	Structure_Complexity	203
7181	Hydrogen_Bond_Donor_Count	2
8073	Non-hydrogen_Atom_Count	6
71625880	Covalent_Unit_Count	1
22391	TPSA	20.3
40341	Molecular_Weight	305.07
70683750	Covalent_Unit_Count	1
693959	Rotatable_Bond_Count	3
16722120	TPSA	57.2
122174240	TPSA	75.6
10271170	Molecular_Weight	380.8
20774105	Defined_Bond_Stereo_Count	0
10772937	Tautomer_Count	1
19017960	Hydrogen_Bond_Acceptor_Count	1
25256832	Exact_Mass	276.16985928
129628421	Rotatable_Bond_Count	16
129692694	Hydrogen_Bond_Donor_Count	0
1652	Defined_Atom_Stereo_Count	0
12015095	Hydrogen_Bond_Donor_Count	0
60712	Hydrogen_Bond_Acceptor_Count	4
70789955	Defined_Bond_Stereo_Count	0
22022636	Undefined_Atom_Stereo_Count	0
3022	Non-hydrogen_Atom_Count	19
637892	Defined_Atom_Stereo_Count	0
11040	Rotatable_Bond_Count	2
1331	Exact_Mass	282.09728894
475320	Defined_Atom_Stereo_Count	2
41530	Molecular_Weight	231.72
76966897	TPSA	557
82202	Covalent_Unit_Count	1
77991437	Defined_Atom_Stereo_Count	0
6634	Mono_Isotopic_Weight	284.0134744
43678	Undefined_Bond_Stereo_Count	1
5280489	Defined_Atom_Stereo_Count	0
12162479	Non-hydrogen_Atom_Count	11
179822	Tautomer_Count	1
3255932	Defined_Atom_Stereo_Count	0
150841	Hydrogen_Bond_Donor_Count	1
11426929	Defined_Atom_Stereo_Count	0
11126	Covalent_Unit_Count	1
498033	Covalent_Unit_Count	1
6432236	Defined_Atom_Stereo_Count	0
13193732	Molecular_Weight	111.14
522549	Undefined_Atom_Stereo_Count	2
545268	TPSA	12.5
85658	Structure_Complexity	494
54369	Non-hydrogen_Atom_Count	24
57395978	Covalent_Unit_Count	1
439639	Molecular_Weight	666.6
137948991	TPSA	42
52598	Defined_Atom_Stereo_Count	0
11076461	Non-hydrogen_Atom_Count	11
28837	Defined_Atom_Stereo_Count	0
59704271	TPSA	279
51049607	Undefined_Atom_Stereo_Count	0
16757820	Non-hydrogen_Atom_Count	26
219401	Hydrogen_Bond_Acceptor_Count	2
5943	Rotatable_Bond_Count	0
3052	Undefined_Bond_Stereo_Count	0
83909	TPSA	29.5
16667503	Exact_Mass	892.5353131
63409	Covalent_Unit_Count	1
75641	Non-hydrogen_Atom_Count	15
53724680	Defined_Atom_Stereo_Count	0
16726631	Hydrogen_Bond_Acceptor_Count	0
2826731	Non-hydrogen_Atom_Count	18
870718	Hydrogen_Bond_Acceptor_Count	5
64054	Defined_Bond_Stereo_Count	0
12590274	Exact_Mass	100.052429494
5964319	Defined_Bond_Stereo_Count	1
89399042	Covalent_Unit_Count	1
75317	Molecular_Weight	122.17
79013	Hydrogen_Bond_Acceptor_Count	2
70615	Defined_Bond_Stereo_Count	0
11346811	Exact_Mass	290.09364285
10402760	Defined_Bond_Stereo_Count	0
10244374	Isotope_Atom_Count	0
5281243	Structure_Complexity	1270
72200352	TPSA	90.8
79332	TPSA	35.5
62706165	Hydrogen_Bond_Donor_Count	3
163199229	Mono_Isotopic_Weight	1128.44808525
11263471	Structure_Complexity	131
71307072	Undefined_Atom_Stereo_Count	0
27562	Rotatable_Bond_Count	1
22833395	Molecular_Weight	198.30
15229227	Molecular_Weight	231.68
72943	Covalent_Unit_Count	1
163640634	Undefined_Bond_Stereo_Count	0
17273	XLogP3	5.4
73707356	Undefined_Atom_Stereo_Count	2
59540609	Mono_Isotopic_Weight	111.068413911
12049	Non-hydrogen_Atom_Count	7
2014	Molecular_Weight	288.73
139080230	Structure_Complexity	593
24869	Exact_Mass	112.052429494
91824766	Molecular_Weight	1553.8
82650946	Undefined_Atom_Stereo_Count	0
6373	XLogP3-AA	1.5
44563146	Undefined_Bond_Stereo_Count	0
453915	Undefined_Bond_Stereo_Count	0
1486	Non-hydrogen_Atom_Count	13
24769	Isotope_Atom_Count	0
165337	TPSA	40.1
86855	Structure_Complexity	66.8
1694	TPSA	41.6
21578704	Undefined_Atom_Stereo_Count	0
4596191	Undefined_Atom_Stereo_Count	1
54166403	TPSA	29.1
65575055	Hydrogen_Bond_Acceptor_Count	1
429456	Molecular_Weight	106.16
117717938	Defined_Atom_Stereo_Count	1
129909860	Undefined_Atom_Stereo_Count	0
56801	Exact_Mass	603.31960277
64865	Exact_Mass	292.215078140
132367	Hydrogen_Bond_Acceptor_Count	4
12077828	Molecular_Weight	348.4
25183872	TPSA	98.7
118892880	Undefined_Atom_Stereo_Count	0
94781	Tautomer_Count	1
10796718	Total_Formal_Charge	0
10267	Structure_Complexity	428
69808	Isotope_Atom_Count	0
143714846	Defined_Atom_Stereo_Count	0
23670774	Molecular_Weight	415.5
87774825	Hydrogen_Bond_Donor_Count	5
9845622	Mono_Isotopic_Weight	431.15801676
11675	Rotatable_Bond_Count	1
85963	Tautomer_Count	1
71463896	Structure_Complexity	1060
76922	Exact_Mass	113.02992040
535545	Defined_Atom_Stereo_Count	0
566	TPSA	37.3
49865703	Hydrogen_Bond_Acceptor_Count	4
7593	TPSA	17.1
724228	Total_Formal_Charge	0
151090	Hydrogen_Bond_Donor_Count	1
25403	Defined_Atom_Stereo_Count	0
54692950	Covalent_Unit_Count	1
71453204	Defined_Atom_Stereo_Count	1
23349	Hydrogen_Bond_Acceptor_Count	1
20653311	Non-hydrogen_Atom_Count	16
78145	Non-hydrogen_Atom_Count	10
25293	Defined_Atom_Stereo_Count	0
13197669	Hydrogen_Bond_Donor_Count	1
71068	Mono_Isotopic_Weight	344.07970687
820	Undefined_Atom_Stereo_Count	24
25021359	Defined_Atom_Stereo_Count	2
22833874	Undefined_Bond_Stereo_Count	0
5791	Undefined_Atom_Stereo_Count	2
5148195	Mono_Isotopic_Weight	169.110278721
136305612	Structure_Complexity	94
24832091	Non-hydrogen_Atom_Count	31
41264	Defined_Atom_Stereo_Count	0
11463807	Molecular_Weight	403.3
133952	Isotope_Atom_Count	0
53735	XLogP3-AA	1.8
48783	XLogP3	1.6
15257	Defined_Atom_Stereo_Count	0
131632475	Undefined_Atom_Stereo_Count	1
603227	Defined_Bond_Stereo_Count	0
46878477	Structure_Complexity	395
8402	Covalent_Unit_Count	1
224243	Undefined_Atom_Stereo_Count	2
6810	TPSA	43.4
54511	Tautomer_Count	2
9796068	XLogP3-AA	1.3
13748845	Defined_Atom_Stereo_Count	0
519239	Tautomer_Count	1
14319	XLogP3	1.9
91438	Covalent_Unit_Count	1
54260	Molecular_Weight	317.5
25058199	Hydrogen_Bond_Donor_Count	3
71394753	Non-hydrogen_Atom_Count	20
72200673	Undefined_Bond_Stereo_Count	0
5388962	Mono_Isotopic_Weight	376.19982200
62739	Undefined_Bond_Stereo_Count	0
76973133	Structure_Complexity	418
14794988	XLogP3-AA	0.8
12399560	Mono_Isotopic_Weight	511.18959167
137184495	Covalent_Unit_Count	1
2973198	Isotope_Atom_Count	0
12940701	Hydrogen_Bond_Acceptor_Count	5
160368576	TPSA	99.6
241793	XLogP3-AA	0.5
1810203	XLogP3-AA	0.9
6890	Covalent_Unit_Count	1
92938	Rotatable_Bond_Count	8
86210	Total_Formal_Charge	0
73801102	Undefined_Bond_Stereo_Count	1
14284	Defined_Atom_Stereo_Count	0
5355732	Hydrogen_Bond_Donor_Count	0
54500069	Defined_Atom_Stereo_Count	0
60196413	Exact_Mass	474.25522887
15335183	Defined_Bond_Stereo_Count	0
61305	Total_Formal_Charge	0
55840	TPSA	67.6
443295	Total_Formal_Charge	0
71584162	Undefined_Atom_Stereo_Count	0
91488	Molecular_Weight	412.4
9794806	Hydrogen_Bond_Acceptor_Count	2
134867626	TPSA	83.1
78420	XLogP3	2.4
166064699	Defined_Atom_Stereo_Count	0
2748718	Mono_Isotopic_Weight	218.04399007
18939579	Isotope_Atom_Count	0
23392960	Hydrogen_Bond_Donor_Count	1
16211233	Non-hydrogen_Atom_Count	12
212	Hydrogen_Bond_Donor_Count	4
135546482	Undefined_Atom_Stereo_Count	0
55105	Defined_Atom_Stereo_Count	0
121861	Undefined_Atom_Stereo_Count	0
57461868	Mono_Isotopic_Weight	107.048347172
25142312	Structure_Complexity	760
91195806	XLogP3-AA	2.1
618542	Total_Formal_Charge	0
13693	Covalent_Unit_Count	1
15232	Hydrogen_Bond_Acceptor_Count	12
3034048	Undefined_Bond_Stereo_Count	0
16212939	Undefined_Atom_Stereo_Count	0
126664809	XLogP3	0.9
91747	Exact_Mass	309.0379554
2135	Mono_Isotopic_Weight	202.098037015
16183	Defined_Bond_Stereo_Count	0
12202794	Defined_Bond_Stereo_Count	0
44310763	XLogP3-AA	3.8
57563	Undefined_Atom_Stereo_Count	0
88093945	Non-hydrogen_Atom_Count	30
92032367	Defined_Bond_Stereo_Count	1
114853	Non-hydrogen_Atom_Count	1
15950086	Undefined_Bond_Stereo_Count	0
13348970	Isotope_Atom_Count	0
41212	Total_Formal_Charge	0
11253490	Total_Formal_Charge	0
163276613	Hydrogen_Bond_Acceptor_Count	2
122051	Hydrogen_Bond_Acceptor_Count	1
21014990	Defined_Bond_Stereo_Count	0
98306	Undefined_Bond_Stereo_Count	1
22097456	Covalent_Unit_Count	1
58385	Rotatable_Bond_Count	9
130515614	TPSA	20.2
2115	Tautomer_Count	1
90192	Mono_Isotopic_Weight	534.17951205
11646	Tautomer_Count	1
80483237	Mono_Isotopic_Weight	108.057514874
4557	Total_Formal_Charge	0
23405789	XLogP3-AA	1.6
118855445	Mono_Isotopic_Weight	712.27966526
74888	Non-hydrogen_Atom_Count	22
65622	TPSA	130
124605148	Defined_Atom_Stereo_Count	14
123800109	Undefined_Atom_Stereo_Count	5
18442764	Total_Formal_Charge	0
5288018	TPSA	135
87243	Undefined_Atom_Stereo_Count	0
67825	Defined_Bond_Stereo_Count	0
29685	Mono_Isotopic_Weight	341.13755610
2966	Mono_Isotopic_Weight	175.110947427
65049734	TPSA	12.5
122174048	Defined_Bond_Stereo_Count	0
5329	Rotatable_Bond_Count	3
13270940	Rotatable_Bond_Count	0
136264090	Molecular_Weight	1145.3
3795601	TPSA	35.9
129073603	Undefined_Bond_Stereo_Count	0
61111	Exact_Mass	201.9375462
19499	Exact_Mass	86.036779430
499953	Rotatable_Bond_Count	3
31279	Undefined_Atom_Stereo_Count	0
4875	Hydrogen_Bond_Acceptor_Count	1
11633344	Molecular_Weight	429.6
123982	Hydrogen_Bond_Acceptor_Count	5
38253	Exact_Mass	285.935512
643774	Rotatable_Bond_Count	0
102515495	Structure_Complexity	285
11519070	Undefined_Bond_Stereo_Count	0
140248	XLogP3-AA	0.1
3035829	Rotatable_Bond_Count	4
86296	Mono_Isotopic_Weight	223.110947427
10953798	Hydrogen_Bond_Donor_Count	0
68023775	XLogP3-AA	1
6961	Rotatable_Bond_Count	4
20371324	Mono_Isotopic_Weight	116.058577502
75576	Rotatable_Bond_Count	2
118975693	Rotatable_Bond_Count	1
9347	Molecular_Weight	659.0
27909	Rotatable_Bond_Count	1
1212	Rotatable_Bond_Count	3
71756167	Molecular_Weight	113.12
49866505	Isotope_Atom_Count	0
20062226	Defined_Bond_Stereo_Count	0
60047	TPSA	127
41743	Defined_Bond_Stereo_Count	0
5798	Exact_Mass	118.053098200
59810317	Non-hydrogen_Atom_Count	7
53317123	Total_Formal_Charge	0
4373502	Molecular_Weight	236.25
5359371	Covalent_Unit_Count	1
12732837	Structure_Complexity	162
71462631	Hydrogen_Bond_Acceptor_Count	4
320263	XLogP3-AA	3.3
57753	Molecular_Weight	336.4
27402	Undefined_Bond_Stereo_Count	0
13170124	Isotope_Atom_Count	0
255	Hydrogen_Bond_Acceptor_Count	8
77720	Exact_Mass	223.08445790
82736	Total_Formal_Charge	0
447405	Hydrogen_Bond_Acceptor_Count	8
67495	Isotope_Atom_Count	0
130121992	Hydrogen_Bond_Acceptor_Count	3
15926139	Non-hydrogen_Atom_Count	11
45117185	Mono_Isotopic_Weight	208.109944368
55281352	Non-hydrogen_Atom_Count	6
55416	XLogP3-AA	3.2
71648	XLogP3	1.3
8911	Undefined_Atom_Stereo_Count	0
17891	Structure_Complexity	225
15179723	Covalent_Unit_Count	1
35047	Defined_Atom_Stereo_Count	0
29739	Mono_Isotopic_Weight	296.16237386
14202705	Isotope_Atom_Count	0
11137427	Defined_Bond_Stereo_Count	0
28125489	Total_Formal_Charge	1
91410652	Molecular_Weight	114.14
4376	Covalent_Unit_Count	1
81110	Structure_Complexity	171
6048	Rotatable_Bond_Count	2
25375	Covalent_Unit_Count	1
14986	Total_Formal_Charge	0
105131	Rotatable_Bond_Count	1
21220	TPSA	137
2375	Hydrogen_Bond_Acceptor_Count	9
9853583	Mono_Isotopic_Weight	756.35567118
14480677	Hydrogen_Bond_Donor_Count	2
679	Structure_Complexity	29
674701	Defined_Bond_Stereo_Count	0
50901	TPSA	68.9
20831824	Hydrogen_Bond_Acceptor_Count	10
10943	Hydrogen_Bond_Donor_Count	0
135410907	Rotatable_Bond_Count	2
3403	Hydrogen_Bond_Donor_Count	3
54086435	Hydrogen_Bond_Donor_Count	4
538333	Defined_Bond_Stereo_Count	0
18766735	Isotope_Atom_Count	0
5318	Undefined_Atom_Stereo_Count	1
54757520	Isotope_Atom_Count	0
14484	Tautomer_Count	2
6441082	Tautomer_Count	2
5389	Rotatable_Bond_Count	8
12263095	Undefined_Atom_Stereo_Count	0
2734181	Isotope_Atom_Count	0
22605229	Exact_Mass	102.031694049
751505	Covalent_Unit_Count	1
57751150	Hydrogen_Bond_Acceptor_Count	3
551778	Total_Formal_Charge	0
60196296	Molecular_Weight	292.5
61833	Tautomer_Count	1
14049689	Tautomer_Count	1
12523	Undefined_Atom_Stereo_Count	3
5289517	Isotope_Atom_Count	0
10319630	Structure_Complexity	473
73707	Isotope_Atom_Count	0
14844402	Structure_Complexity	1080
5959	Exact_Mass	322.0123269
12720844	Structure_Complexity	112
9548801	Hydrogen_Bond_Donor_Count	8
10285778	Exact_Mass	99.068413911
50627	Isotope_Atom_Count	0
5463907	Undefined_Bond_Stereo_Count	0
5367760	Undefined_Bond_Stereo_Count	0
11725	Hydrogen_Bond_Donor_Count	0
123884	Undefined_Atom_Stereo_Count	0
19768091	Isotope_Atom_Count	0
88524529	Isotope_Atom_Count	0
4346	Defined_Bond_Stereo_Count	0
19089767	Mono_Isotopic_Weight	101.047678466
18673160	Defined_Bond_Stereo_Count	0
20307232	Structure_Complexity	186
13344	Exact_Mass	305.8946469
12015095	Isotope_Atom_Count	0
16048613	Hydrogen_Bond_Donor_Count	3
54758307	TPSA	92.1
12866369	Undefined_Atom_Stereo_Count	2
117791208	Exact_Mass	102.079312947
22525422	XLogP3	3.1
51356843	Isotope_Atom_Count	0
219104	Tautomer_Count	1
5463057	Rotatable_Bond_Count	2
133886	Isotope_Atom_Count	0
153400963	Molecular_Weight	98.14
73110	Structure_Complexity	1010
3506	Hydrogen_Bond_Donor_Count	7
39650	Undefined_Atom_Stereo_Count	0
135398592	Non-hydrogen_Atom_Count	19
81729	Mono_Isotopic_Weight	204.183778013
164610	Total_Formal_Charge	0
6369059	Defined_Atom_Stereo_Count	0
351770	Undefined_Bond_Stereo_Count	0
24946104	Rotatable_Bond_Count	7
11094599	Non-hydrogen_Atom_Count	10
6441712	Hydrogen_Bond_Donor_Count	4
74	Tautomer_Count	60
45456	Undefined_Bond_Stereo_Count	0
67002565	Rotatable_Bond_Count	2
87844	Undefined_Bond_Stereo_Count	0
3080772	Mono_Isotopic_Weight	206.08037557
88784945	Rotatable_Bond_Count	2
14017772	Non-hydrogen_Atom_Count	8
4740	Exact_Mass	278.13789045
16213884	Hydrogen_Bond_Acceptor_Count	8
124069	Tautomer_Count	1
3035241	Mono_Isotopic_Weight	323.1400546
74262	Hydrogen_Bond_Donor_Count	0
44143571	XLogP3-AA	5.8
46078	Covalent_Unit_Count	1
54149606	TPSA	41.1
3296738	Undefined_Bond_Stereo_Count	0
135643052	Hydrogen_Bond_Acceptor_Count	5
28692	Non-hydrogen_Atom_Count	21
84975	Tautomer_Count	1
18004024	Isotope_Atom_Count	0
177870	Undefined_Bond_Stereo_Count	0
6857473	Hydrogen_Bond_Acceptor_Count	0
7551	Isotope_Atom_Count	0
44474	Undefined_Atom_Stereo_Count	2
22263	Defined_Bond_Stereo_Count	0
130027214	Molecular_Weight	109.13
720213	Total_Formal_Charge	0
67975127	Isotope_Atom_Count	0
16331	XLogP3-AA	1
444314	Total_Formal_Charge	0
42104317	Undefined_Atom_Stereo_Count	0
5280794	XLogP3-AA	8.6
11259	Hydrogen_Bond_Acceptor_Count	4
72327	Total_Formal_Charge	0
15232	TPSA	248
54027648	Mono_Isotopic_Weight	101.047678466
54751657	Structure_Complexity	971
18668047	Mono_Isotopic_Weight	111.068413911
53694476	Defined_Bond_Stereo_Count	0
44134877	Total_Formal_Charge	0
102058611	XLogP3	2.7
119146	Total_Formal_Charge	0
254656	Exact_Mass	198.07529019
1549992	Molecular_Weight	222.37
12502754	Isotope_Atom_Count	0
15702063	Molecular_Weight	114.14
82337	Rotatable_Bond_Count	2
101978361	Undefined_Bond_Stereo_Count	0
15703	Covalent_Unit_Count	1
6335986	Structure_Complexity	744
21845248	Covalent_Unit_Count	1
13003479	Undefined_Atom_Stereo_Count	2
84878	Exact_Mass	29.997988624
16212880	Defined_Bond_Stereo_Count	0
6793	Undefined_Bond_Stereo_Count	0
131841462	Isotope_Atom_Count	0
86359	Hydrogen_Bond_Acceptor_Count	0
44485	Tautomer_Count	34
56928080	Covalent_Unit_Count	1
53316138	Defined_Atom_Stereo_Count	6
54175	Total_Formal_Charge	0
7335	Covalent_Unit_Count	1
67406	Undefined_Atom_Stereo_Count	0
50129	Total_Formal_Charge	0
41733	Undefined_Atom_Stereo_Count	1
54227233	Defined_Bond_Stereo_Count	0
10176241	Rotatable_Bond_Count	0
17564	Exact_Mass	263.188529040
6227	Total_Formal_Charge	0
9403	Undefined_Bond_Stereo_Count	0
15131492	TPSA	79.7
28931	Undefined_Atom_Stereo_Count	1
53629499	Exact_Mass	110.084398327
136195727	Covalent_Unit_Count	1
28803	Defined_Atom_Stereo_Count	0
299882	Rotatable_Bond_Count	0
14819	Defined_Bond_Stereo_Count	0
170364	Total_Formal_Charge	0
4231972	Molecular_Weight	110.11
4839	Rotatable_Bond_Count	6
94037	Non-hydrogen_Atom_Count	25
10464328	Rotatable_Bond_Count	1
67955	Total_Formal_Charge	0
6323236	Defined_Bond_Stereo_Count	3
25142970	Undefined_Atom_Stereo_Count	0
72765870	Rotatable_Bond_Count	1
77529	Molecular_Weight	247.03
44126083	Molecular_Weight	391.5
163668741	Structure_Complexity	109
449242	Molecular_Weight	360.26
11616111	TPSA	99
72941779	Defined_Atom_Stereo_Count	0
54255838	Molecular_Weight	116.11
248580	TPSA	29.1
6537201	Hydrogen_Bond_Acceptor_Count	3
4458	Hydrogen_Bond_Donor_Count	1
14968895	Hydrogen_Bond_Acceptor_Count	1
11258643	Undefined_Bond_Stereo_Count	0
12302694	Defined_Bond_Stereo_Count	0
423375	Molecular_Weight	171.27
6918160	Structure_Complexity	399
54688	Hydrogen_Bond_Donor_Count	4
19100324	Undefined_Bond_Stereo_Count	0
81233	Rotatable_Bond_Count	5
123347622	TPSA	21.9
103687	Tautomer_Count	1
9331	Hydrogen_Bond_Acceptor_Count	4
11315446	Exact_Mass	396.20738760
43539930	Non-hydrogen_Atom_Count	8
60803	XLogP3-AA	3.6
25150856	Isotope_Atom_Count	0
1080	Exact_Mass	179.02522894
111878	Tautomer_Count	1
72073	Defined_Atom_Stereo_Count	0
135532964	Exact_Mass	97.027611728
12581088	Covalent_Unit_Count	1
53896476	Defined_Bond_Stereo_Count	0
53569	Hydrogen_Bond_Donor_Count	2
11690378	Defined_Atom_Stereo_Count	0
60196398	Total_Formal_Charge	0
13437344	Total_Formal_Charge	0
106999	Isotope_Atom_Count	0
71312086	Undefined_Bond_Stereo_Count	1
13613	Hydrogen_Bond_Acceptor_Count	3
20774105	Undefined_Atom_Stereo_Count	0
32040	Exact_Mass	157.110278721
118	Undefined_Atom_Stereo_Count	0
12681	XLogP3	0.7
154474669	Non-hydrogen_Atom_Count	7
44263853	Mono_Isotopic_Weight	966.28524644
658645	Undefined_Atom_Stereo_Count	2
11764	Rotatable_Bond_Count	0
449366	Molecular_Weight	501.6
141583717	TPSA	49.7
57537	Isotope_Atom_Count	0
13260750	XLogP3-AA	0.6
15442	Rotatable_Bond_Count	1
129849	XLogP3-AA	11.6
3507056	Exact_Mass	833.6394
439507	Isotope_Atom_Count	0
115234	Undefined_Bond_Stereo_Count	0
24807310	TPSA	73.8
24978601	Total_Formal_Charge	0
8640	Undefined_Bond_Stereo_Count	0
83528703	Hydrogen_Bond_Donor_Count	2
165971	Molecular_Weight	151.990
63333521	Rotatable_Bond_Count	0
6931560	Hydrogen_Bond_Donor_Count	1
7728	Molecular_Weight	121.18
135565884	Mono_Isotopic_Weight	471.22703980
245	Undefined_Atom_Stereo_Count	10
448388	Undefined_Bond_Stereo_Count	0
6327514	Defined_Atom_Stereo_Count	0
5887	TPSA	31.8
17043	Rotatable_Bond_Count	12
75050	Exact_Mass	314.318480578
58265196	Non-hydrogen_Atom_Count	12
17599	Rotatable_Bond_Count	0
13068	XLogP3	5.1
18542	Structure_Complexity	543
6530	Total_Formal_Charge	0
5288453	Hydrogen_Bond_Acceptor_Count	12
77129	Structure_Complexity	46.8
52943302	Rotatable_Bond_Count	6
131705759	Exact_Mass	303.14705815
126968495	Undefined_Bond_Stereo_Count	2
75073	Covalent_Unit_Count	1
10453870	Structure_Complexity	525
100380	Defined_Atom_Stereo_Count	0
6921705	Hydrogen_Bond_Donor_Count	4
10437166	XLogP3-AA	4.3
89602862	Molecular_Weight	113.07
139593369	Non-hydrogen_Atom_Count	50
161166	Undefined_Bond_Stereo_Count	0
171409	Non-hydrogen_Atom_Count	85
580566	Molecular_Weight	140.26
22601	Hydrogen_Bond_Acceptor_Count	5
24848261	Isotope_Atom_Count	0
71777654	Defined_Atom_Stereo_Count	4
57501504	Non-hydrogen_Atom_Count	47
14205264	Hydrogen_Bond_Acceptor_Count	4
12313170	Isotope_Atom_Count	0
75674	Defined_Atom_Stereo_Count	0
14581	Molecular_Weight	199.25
137704528	Defined_Atom_Stereo_Count	1
22125	Rotatable_Bond_Count	0
49865493	Defined_Atom_Stereo_Count	0
1650	Undefined_Atom_Stereo_Count	3
81146	Exact_Mass	267.08954328
119489	TPSA	45.4
71426	Defined_Atom_Stereo_Count	2
91558991	Covalent_Unit_Count	1
20145490	Exact_Mass	110.073164938
91617740	Isotope_Atom_Count	0
15559311	Isotope_Atom_Count	0
118984396	Hydrogen_Bond_Donor_Count	1
67711	Structure_Complexity	56.4
67233953	Isotope_Atom_Count	0
73509	Covalent_Unit_Count	1
25335	Exact_Mass	199.157228913
87187677	XLogP3-AA	1.2
44123754	Hydrogen_Bond_Donor_Count	2
65050	Tautomer_Count	3
44139752	Non-hydrogen_Atom_Count	17
11744644	Hydrogen_Bond_Donor_Count	3
12724530	Structure_Complexity	84.2
101725836	Defined_Bond_Stereo_Count	2
70682212	Hydrogen_Bond_Donor_Count	1
54597740	Hydrogen_Bond_Donor_Count	3
97724	Non-hydrogen_Atom_Count	11
11908488	Defined_Bond_Stereo_Count	0
15826366	Undefined_Bond_Stereo_Count	0
67279	Defined_Atom_Stereo_Count	0
53297469	Rotatable_Bond_Count	4
3520	Molecular_Weight	59.07
77875900	TPSA	55.1
9819350	XLogP3-AA	3.8
15570483	Total_Formal_Charge	0
54936	Total_Formal_Charge	0
351770	Tautomer_Count	2
31353	Rotatable_Bond_Count	7
687044	Defined_Atom_Stereo_Count	1
160550	TPSA	75.8
2097895	Undefined_Bond_Stereo_Count	0
80782	Hydrogen_Bond_Acceptor_Count	2
4585667	Tautomer_Count	3
67301	Isotope_Atom_Count	0
446080	Isotope_Atom_Count	0
140334	Tautomer_Count	1
221145	Total_Formal_Charge	0
21824034	Hydrogen_Bond_Acceptor_Count	2
142882	Undefined_Atom_Stereo_Count	0
11546947	Molecular_Weight	453.0
99058	Covalent_Unit_Count	1
666673	Defined_Bond_Stereo_Count	0
12383043	Structure_Complexity	64
20587740	XLogP3-AA	1.6
65249	Molecular_Weight	147.13
3427	Structure_Complexity	382
5289590	Tautomer_Count	5
156412638	Molecular_Weight	110.12
34697	Non-hydrogen_Atom_Count	27
71651624	Total_Formal_Charge	0
165687912	Undefined_Bond_Stereo_Count	0
34676239	Rotatable_Bond_Count	5
68424	Mono_Isotopic_Weight	87.068413911
90757603	Structure_Complexity	102
61347	Mono_Isotopic_Weight	124.100048391
69319	Defined_Atom_Stereo_Count	0
5899	Structure_Complexity	268
136470	TPSA	0
23672329	Isotope_Atom_Count	0
7253	XLogP3	1
450484	Undefined_Atom_Stereo_Count	0
140796896	Total_Formal_Charge	0
135445165	Undefined_Atom_Stereo_Count	0
11540045	Defined_Atom_Stereo_Count	0
121396	Structure_Complexity	227
165542295	Non-hydrogen_Atom_Count	8
701542	TPSA	37.4
23552407	Hydrogen_Bond_Acceptor_Count	2
40589	Tautomer_Count	1
123690360	Isotope_Atom_Count	0
5122	Total_Formal_Charge	0
12487262	Hydrogen_Bond_Donor_Count	1
4659387	Undefined_Bond_Stereo_Count	0
294864	Defined_Atom_Stereo_Count	0
5894	Total_Formal_Charge	0
5362	Hydrogen_Bond_Acceptor_Count	6
8001	Hydrogen_Bond_Acceptor_Count	0
22728753	Undefined_Bond_Stereo_Count	0
71773	Exact_Mass	499.16984474
13231	Hydrogen_Bond_Donor_Count	1
73889	Mono_Isotopic_Weight	285.06122053
88091	Mono_Isotopic_Weight	243.1389920
1849	Non-hydrogen_Atom_Count	31
12817963	Total_Formal_Charge	0
2576	Covalent_Unit_Count	1
65728	Defined_Atom_Stereo_Count	8
68135832	Covalent_Unit_Count	1
39534	Mono_Isotopic_Weight	198.125594432
129866077	Covalent_Unit_Count	1
398558	Defined_Atom_Stereo_Count	2
622606	XLogP3	4.7
12708563	Hydrogen_Bond_Acceptor_Count	1
13134933	Molecular_Weight	355.32
39834	TPSA	57.6
37995	XLogP3-AA	3.2
11974213	TPSA	78
7859	Exact_Mass	56.026214747
26423	Non-hydrogen_Atom_Count	18
22188	Undefined_Bond_Stereo_Count	0
68928	Rotatable_Bond_Count	6
6141	Molecular_Weight	340.3
84647652	TPSA	58.9
18713770	Hydrogen_Bond_Acceptor_Count	2
929262	Molecular_Weight	250.38
15037	Defined_Atom_Stereo_Count	0
7138	Exact_Mass	157.089149355
145025	Molecular_Weight	100.16
4692287	Isotope_Atom_Count	0
656823	Hydrogen_Bond_Acceptor_Count	8
7117	Rotatable_Bond_Count	1
78006	Total_Formal_Charge	0
7517	Covalent_Unit_Count	1
58460047	Exact_Mass	425.0502514
13639781	Hydrogen_Bond_Donor_Count	0
79276	Total_Formal_Charge	0
24848419	Molecular_Weight	420.5
18644925	Covalent_Unit_Count	1
25137901	TPSA	263
10898648	Mono_Isotopic_Weight	97.052763847
60678	Total_Formal_Charge	0
12031310	Defined_Bond_Stereo_Count	0
132192027	Undefined_Atom_Stereo_Count	0
9810929	Hydrogen_Bond_Acceptor_Count	9
13001072	Isotope_Atom_Count	0
58996537	Hydrogen_Bond_Donor_Count	1
107735	Hydrogen_Bond_Acceptor_Count	3
21866502	Undefined_Bond_Stereo_Count	0
6257	Rotatable_Bond_Count	4
96381	Defined_Atom_Stereo_Count	0
3162	Mono_Isotopic_Weight	270.173213330
10081060	Hydrogen_Bond_Donor_Count	5
23385063	Non-hydrogen_Atom_Count	8
461279	Mono_Isotopic_Weight	384.01236864
25213416	TPSA	26
12358970	Hydrogen_Bond_Acceptor_Count	8
5310967	Non-hydrogen_Atom_Count	12
146364	Defined_Atom_Stereo_Count	7
75220691	Defined_Bond_Stereo_Count	0
4037	Undefined_Bond_Stereo_Count	0
54753	Covalent_Unit_Count	1
80278	Molecular_Weight	248.25
4974205	Defined_Atom_Stereo_Count	0
15206	TPSA	20.2
24180972	Isotope_Atom_Count	0
2734249	Isotope_Atom_Count	0
163091	Hydrogen_Bond_Donor_Count	0
9120	Defined_Atom_Stereo_Count	0
6481	Molecular_Weight	244.37
6456015	Hydrogen_Bond_Acceptor_Count	9
14200416	Mono_Isotopic_Weight	114.104465066
153308419	Hydrogen_Bond_Acceptor_Count	3
123291798	Covalent_Unit_Count	1
76736	TPSA	0
118318030	Covalent_Unit_Count	1
129876172	Undefined_Atom_Stereo_Count	0
5388993	Rotatable_Bond_Count	10
78819	Undefined_Atom_Stereo_Count	0
411817	Exact_Mass	282.1498911
3080836	Covalent_Unit_Count	2
71339534	Structure_Complexity	415
443376	Molecular_Weight	1101.3
322	TPSA	57.5
108888	Exact_Mass	362.20932405
53846421	Molecular_Weight	416.6
41889	Isotope_Atom_Count	0
26248	Hydrogen_Bond_Acceptor_Count	8
8672	Total_Formal_Charge	0
53851	Structure_Complexity	342
1803	Mono_Isotopic_Weight	243.08552052
25023858	Mono_Isotopic_Weight	468.25252628
6628	Mono_Isotopic_Weight	214.04121336
2958	Undefined_Atom_Stereo_Count	6
4436967	Molecular_Weight	390.32
522693	Defined_Bond_Stereo_Count	0
6641	TPSA	18.5
6537152	Covalent_Unit_Count	1
20061	Defined_Bond_Stereo_Count	0
18950548	Covalent_Unit_Count	1
69086581	TPSA	31
68198	Defined_Bond_Stereo_Count	0
53357478	Covalent_Unit_Count	1
69341756	Molecular_Weight	113.11
74405857	Mono_Isotopic_Weight	366.05554326
86811257	Hydrogen_Bond_Acceptor_Count	2
23615430	Hydrogen_Bond_Acceptor_Count	5
5410	TPSA	43.4
78949	Isotope_Atom_Count	0
24309	Defined_Bond_Stereo_Count	0
57185798	Exact_Mass	112.052429494
21058	Rotatable_Bond_Count	6
66071945	Isotope_Atom_Count	0
21753162	TPSA	55.6
97012111	Molecular_Weight	342.30
7941	Isotope_Atom_Count	0
56658438	Rotatable_Bond_Count	10
57385877	XLogP3-AA	3
93234	Hydrogen_Bond_Acceptor_Count	4
2219	Isotope_Atom_Count	0
54587659	Undefined_Atom_Stereo_Count	0
71776101	Structure_Complexity	270
67339181	Undefined_Bond_Stereo_Count	0
24901351	XLogP3-AA	3.3
11955716	Defined_Atom_Stereo_Count	0
48845	Undefined_Bond_Stereo_Count	0
452254	Hydrogen_Bond_Acceptor_Count	6
9808	Covalent_Unit_Count	1
13435928	Hydrogen_Bond_Acceptor_Count	2
443310	Defined_Atom_Stereo_Count	0
21399335	Hydrogen_Bond_Donor_Count	1
71234	Structure_Complexity	362
14862984	XLogP3-AA	0.3
60196287	Defined_Bond_Stereo_Count	0
32416	Rotatable_Bond_Count	1
66119	Hydrogen_Bond_Donor_Count	0
77171	Non-hydrogen_Atom_Count	40
518900	Hydrogen_Bond_Acceptor_Count	3
22263119	TPSA	69.1
5281881	Defined_Bond_Stereo_Count	1
71306415	Covalent_Unit_Count	2
46882191	Hydrogen_Bond_Donor_Count	1
119339	Hydrogen_Bond_Donor_Count	9
89150	XLogP3	1.1
21817601	Defined_Atom_Stereo_Count	0
6887	Non-hydrogen_Atom_Count	15
5288631	Total_Formal_Charge	0
236146	TPSA	23.8
67058	Defined_Atom_Stereo_Count	0
118210311	Exact_Mass	110.011627311
28284151	Covalent_Unit_Count	1
57396214	Hydrogen_Bond_Acceptor_Count	5
97783	XLogP3-AA	4.2
6918218	Exact_Mass	397.08313774
145705672	Exact_Mass	490.36582469
88226977	Non-hydrogen_Atom_Count	8
15211200	Defined_Bond_Stereo_Count	0
88322	TPSA	46.9
19871	Hydrogen_Bond_Donor_Count	1
139030973	Covalent_Unit_Count	3
667497	Hydrogen_Bond_Acceptor_Count	2
11548	Total_Formal_Charge	0
11151622	Mono_Isotopic_Weight	329.12632271
1712087	XLogP3-AA	2.9
121290492	Covalent_Unit_Count	1
142959	Hydrogen_Bond_Acceptor_Count	4
41693	Undefined_Atom_Stereo_Count	0
13260750	Tautomer_Count	1
13235	Structure_Complexity	216
24777	Tautomer_Count	1
123413	Defined_Bond_Stereo_Count	0
12132	Hydrogen_Bond_Acceptor_Count	1
519642	Hydrogen_Bond_Donor_Count	0
11334	Exact_Mass	161.9639201
25526	Rotatable_Bond_Count	9
7443	Undefined_Bond_Stereo_Count	0
67742	Covalent_Unit_Count	1
520301	Hydrogen_Bond_Donor_Count	1
11919	TPSA	0
25608	TPSA	0
91819762	Hydrogen_Bond_Acceptor_Count	12
164513759	Hydrogen_Bond_Acceptor_Count	3
907178	Defined_Bond_Stereo_Count	0
21531	Tautomer_Count	1
89200515	Hydrogen_Bond_Donor_Count	5
49389	Exact_Mass	273.0556563
135564558	Mono_Isotopic_Weight	395.20697307
138125	Covalent_Unit_Count	1
18997160	Undefined_Bond_Stereo_Count	0
11804893	Defined_Bond_Stereo_Count	0
226274	TPSA	43.1
98651	Rotatable_Bond_Count	3
91256663	Defined_Bond_Stereo_Count	0
57667	Undefined_Bond_Stereo_Count	0
54688689	Undefined_Atom_Stereo_Count	1
6114	Molecular_Weight	195.69
6445007	Tautomer_Count	1
657309	Isotope_Atom_Count	0
56615438	Undefined_Atom_Stereo_Count	0
71761627	Hydrogen_Bond_Donor_Count	3
54697325	Defined_Bond_Stereo_Count	0
20650455	Non-hydrogen_Atom_Count	6
31246	Defined_Atom_Stereo_Count	0
8698	Non-hydrogen_Atom_Count	13
444005	Rotatable_Bond_Count	14
25011728	Molecular_Weight	419.8
95559	Non-hydrogen_Atom_Count	8
7648	Hydrogen_Bond_Acceptor_Count	6
19782023	Exact_Mass	86.084398327
68321837	Exact_Mass	387.1149827
14640738	TPSA	29.5
16329	Defined_Atom_Stereo_Count	0
13546	Exact_Mass	114.068079557
11769095	Isotope_Atom_Count	0
107377	Non-hydrogen_Atom_Count	18
129720364	Non-hydrogen_Atom_Count	20
114359	Isotope_Atom_Count	0
44717198	Isotope_Atom_Count	0
130872	TPSA	165
19540	Hydrogen_Bond_Donor_Count	0
10434	Undefined_Bond_Stereo_Count	0
535634	Total_Formal_Charge	0
128872	Defined_Atom_Stereo_Count	0
15133	Hydrogen_Bond_Donor_Count	2
15439202	Undefined_Atom_Stereo_Count	2
6710776	TPSA	122
3776755	Hydrogen_Bond_Acceptor_Count	0
189782	Hydrogen_Bond_Acceptor_Count	5
558889	TPSA	32.8
163143	Undefined_Bond_Stereo_Count	0
54120	Total_Formal_Charge	0
9793848	Molecular_Weight	150.16
54471	Exact_Mass	321.0687196
50491	Undefined_Atom_Stereo_Count	2
1964	TPSA	83.8
5359484	TPSA	88.8
26955	Structure_Complexity	292
22818	Undefined_Atom_Stereo_Count	0
1013376	Hydrogen_Bond_Donor_Count	3
9848	Mono_Isotopic_Weight	87.048427358
4761	XLogP3	2.8
129849349	Molecular_Weight	205.28
54325138	Mono_Isotopic_Weight	99.032028402
22986754	Hydrogen_Bond_Donor_Count	1
3782034	Isotope_Atom_Count	0
22335779	Rotatable_Bond_Count	2
12872199	Exact_Mass	112.052429494
37419	Hydrogen_Bond_Donor_Count	1
38333	Mono_Isotopic_Weight	177.042593085
32582	Hydrogen_Bond_Acceptor_Count	2
71371762	Isotope_Atom_Count	0
2778461	Hydrogen_Bond_Donor_Count	1
96543	Undefined_Bond_Stereo_Count	0
63019	Hydrogen_Bond_Donor_Count	1
138200	Non-hydrogen_Atom_Count	7
7761	Isotope_Atom_Count	0
59269371	Exact_Mass	112.052429494
83648	Hydrogen_Bond_Acceptor_Count	4
45375806	Covalent_Unit_Count	1
5489120	Hydrogen_Bond_Acceptor_Count	5
16095274	Undefined_Bond_Stereo_Count	0
70774	Defined_Bond_Stereo_Count	0
11550005	Undefined_Atom_Stereo_Count	2
25203624	Exact_Mass	374.1457717
12313170	Hydrogen_Bond_Acceptor_Count	10
12805738	Undefined_Bond_Stereo_Count	0
71451390	Molecular_Weight	475.0
22057009	Hydrogen_Bond_Acceptor_Count	4
4323059	Molecular_Weight	138.14
54742254	Tautomer_Count	26
564666	Total_Formal_Charge	0
137699165	XLogP3-AA	4.3
3014059	Total_Formal_Charge	0
517273	Defined_Atom_Stereo_Count	0
5487427	Hydrogen_Bond_Donor_Count	1
23663412	Total_Formal_Charge	0
15090448	Isotope_Atom_Count	0
15584178	Undefined_Bond_Stereo_Count	0
10052040	Isotope_Atom_Count	0
10993649	XLogP3-AA	1.1
66684067	XLogP3-AA	4.3
439215	Undefined_Atom_Stereo_Count	1
390	Tautomer_Count	3
68617	Non-hydrogen_Atom_Count	20
28705	Undefined_Bond_Stereo_Count	0
5476	Total_Formal_Charge	1
135512673	Molecular_Weight	822.9
70610	Undefined_Atom_Stereo_Count	0
3836	Non-hydrogen_Atom_Count	31
9862634	Total_Formal_Charge	0
136216662	Total_Formal_Charge	0
5084	Undefined_Bond_Stereo_Count	0
14079	Mono_Isotopic_Weight	109.052763847
49866023	TPSA	41.6
5094381	Undefined_Atom_Stereo_Count	0
3085401	Molecular_Weight	246.34
396765	Undefined_Bond_Stereo_Count	4
8474	Hydrogen_Bond_Donor_Count	2
2733293	Hydrogen_Bond_Acceptor_Count	2
19999	Undefined_Bond_Stereo_Count	0
9373	Hydrogen_Bond_Donor_Count	1
10103139	Undefined_Bond_Stereo_Count	0
108157	Tautomer_Count	1
94213	Non-hydrogen_Atom_Count	12
55290154	Total_Formal_Charge	0
81832	Tautomer_Count	3
12218383	Defined_Bond_Stereo_Count	0
89101416	Defined_Atom_Stereo_Count	0
123217920	Molecular_Weight	98.10
12711588	Mono_Isotopic_Weight	116.047344113
73680	Rotatable_Bond_Count	11
5288223	Exact_Mass	176.03813935
11428	Rotatable_Bond_Count	2
92044408	Mono_Isotopic_Weight	1525.3899216
5986	Non-hydrogen_Atom_Count	28
11908450	Non-hydrogen_Atom_Count	23
91713	Defined_Atom_Stereo_Count	2
146935695	XLogP3-AA	0.8
12830097	Non-hydrogen_Atom_Count	17
3014955	Defined_Bond_Stereo_Count	0
3942	Undefined_Atom_Stereo_Count	0
18696579	Isotope_Atom_Count	0
6984	Hydrogen_Bond_Acceptor_Count	1
127928	Total_Formal_Charge	0
129860447	Structure_Complexity	42.8
3035406	Non-hydrogen_Atom_Count	77
456468	Structure_Complexity	93.1
3916406	Mono_Isotopic_Weight	196.04840674
637921	Total_Formal_Charge	0
15560527	Hydrogen_Bond_Acceptor_Count	4
11049	Undefined_Atom_Stereo_Count	0
89292361	Hydrogen_Bond_Donor_Count	2
18798529	Structure_Complexity	94.2
565005	Structure_Complexity	123
34192	Rotatable_Bond_Count	5
5287554	Tautomer_Count	27
140557163	Undefined_Atom_Stereo_Count	2
136219151	Undefined_Bond_Stereo_Count	0
22714300	Hydrogen_Bond_Acceptor_Count	1
49869035	Defined_Bond_Stereo_Count	0
31253	Defined_Atom_Stereo_Count	0
21624254	Structure_Complexity	68.5
123761716	Structure_Complexity	80.1
57735	Mono_Isotopic_Weight	294.19434270
31369	Undefined_Atom_Stereo_Count	0
616632	Isotope_Atom_Count	0
16043	Mono_Isotopic_Weight	166.099379685
71652	Non-hydrogen_Atom_Count	23
5479	Undefined_Bond_Stereo_Count	0
19809734	Isotope_Atom_Count	0
14523483	Undefined_Atom_Stereo_Count	0
132519	Undefined_Bond_Stereo_Count	0
94294	Hydrogen_Bond_Donor_Count	1
5284631	Undefined_Bond_Stereo_Count	0
86007746	Hydrogen_Bond_Donor_Count	0
54960	Total_Formal_Charge	0
22404995	Isotope_Atom_Count	0
9948102	Defined_Bond_Stereo_Count	0
81056	XLogP3	2
6539026	Hydrogen_Bond_Donor_Count	2
773	Molecular_Weight	155.15
6436158	Hydrogen_Bond_Donor_Count	3
53818193	Covalent_Unit_Count	1
62546	Defined_Bond_Stereo_Count	0
87609775	Hydrogen_Bond_Donor_Count	3
565391	Hydrogen_Bond_Donor_Count	0
15191343	Hydrogen_Bond_Donor_Count	2
520527	Defined_Bond_Stereo_Count	0
89728	Non-hydrogen_Atom_Count	7
82789	Undefined_Atom_Stereo_Count	0
25683	Molecular_Weight	224.32
8871	Defined_Bond_Stereo_Count	0
22832145	Non-hydrogen_Atom_Count	64
11290087	TPSA	57.5
12399560	Total_Formal_Charge	0
162955685	Hydrogen_Bond_Acceptor_Count	11
32184	TPSA	90.5
12550	Hydrogen_Bond_Acceptor_Count	9
101191397	TPSA	26.3
23136363	Non-hydrogen_Atom_Count	26
10492	Rotatable_Bond_Count	0
135441757	Hydrogen_Bond_Acceptor_Count	2
17118	Molecular_Weight	251.71
75345	Defined_Atom_Stereo_Count	0
2272	TPSA	24.7
14872976	Undefined_Bond_Stereo_Count	0
131982921	Defined_Atom_Stereo_Count	0
9799246	Hydrogen_Bond_Donor_Count	0
3926	Mono_Isotopic_Weight	491.27481907
54698175	Mono_Isotopic_Weight	542.17049376
71416	Hydrogen_Bond_Donor_Count	1
596	Hydrogen_Bond_Donor_Count	4
3080714	Non-hydrogen_Atom_Count	32
176163	Molecular_Weight	394.5
1374121	Defined_Atom_Stereo_Count	0
2764874	TPSA	63.4
71309	Non-hydrogen_Atom_Count	34
5242433	Total_Formal_Charge	1
87355672	TPSA	64.2
57082	Hydrogen_Bond_Acceptor_Count	4
6436633	Rotatable_Bond_Count	12
13464501	Rotatable_Bond_Count	2
1483	Isotope_Atom_Count	0
90488948	Tautomer_Count	6
34936	Undefined_Atom_Stereo_Count	0
54187438	Mono_Isotopic_Weight	99.104799419
156595906	Defined_Atom_Stereo_Count	12
88859271	Hydrogen_Bond_Donor_Count	1
20055408	Defined_Bond_Stereo_Count	0
13528037	Mono_Isotopic_Weight	499.9470097
694146	Total_Formal_Charge	0
54675842	XLogP3	2.5
6440721	Undefined_Atom_Stereo_Count	2
13487610	Undefined_Bond_Stereo_Count	0
4796	Non-hydrogen_Atom_Count	33
5354264	Exact_Mass	126.104465066
165701938	Defined_Bond_Stereo_Count	0
59908032	Undefined_Bond_Stereo_Count	0
16683	Exact_Mass	174.08920892
62398142	TPSA	35.8
5364643	Hydrogen_Bond_Acceptor_Count	1
11908488	Undefined_Atom_Stereo_Count	0
1549045	Defined_Atom_Stereo_Count	0
12453880	Mono_Isotopic_Weight	112.088815002
143817431	XLogP3-AA	0.1
13438401	Non-hydrogen_Atom_Count	8
694728	XLogP3	3
266934	Total_Formal_Charge	0
39042	Structure_Complexity	452
12933763	Hydrogen_Bond_Acceptor_Count	1
57398150	Defined_Atom_Stereo_Count	1
29934831	Hydrogen_Bond_Donor_Count	0
73433	Structure_Complexity	148
11485656	Mono_Isotopic_Weight	375.14953838
109325	Exact_Mass	221.9753576
138891	TPSA	0
706485	Rotatable_Bond_Count	3
5297	Molecular_Weight	581.6
101000161	Tautomer_Count	106
16219371	Undefined_Atom_Stereo_Count	5
17111	Defined_Bond_Stereo_Count	0
18998026	Structure_Complexity	66.6
54324318	Covalent_Unit_Count	1
7216	Defined_Atom_Stereo_Count	0
4424	Undefined_Bond_Stereo_Count	2
57354313	Undefined_Bond_Stereo_Count	0
441073	Tautomer_Count	1
3694035	Exact_Mass	107.048347172
17887248	Hydrogen_Bond_Donor_Count	2
95961	Molecular_Weight	140.14
7459	Defined_Atom_Stereo_Count	0
53462828	Non-hydrogen_Atom_Count	47
22068766	TPSA	74.5
16590	Isotope_Atom_Count	0
44838	Defined_Atom_Stereo_Count	0
637564	Hydrogen_Bond_Acceptor_Count	1
535857	Hydrogen_Bond_Acceptor_Count	3
543047	Mono_Isotopic_Weight	114.068079557
16687131	Mono_Isotopic_Weight	110.109550447
53388942	Molecular_Weight	471.5
73707	XLogP3-AA	5.5
7823	Exact_Mass	134.094294304
54686183	Exact_Mass	1024.3123164
23681107	Molecular_Weight	325.12
3033856	Molecular_Weight	320.42
54054	Total_Formal_Charge	0
24550	Mono_Isotopic_Weight	157.899009
157692	Hydrogen_Bond_Donor_Count	2
11651149	TPSA	26
22447183	Isotope_Atom_Count	0
54493	Undefined_Bond_Stereo_Count	0
2763750	Non-hydrogen_Atom_Count	16
69440016	Total_Formal_Charge	0
10028830	Hydrogen_Bond_Donor_Count	4
2734236	Hydrogen_Bond_Donor_Count	0
5351130	Hydrogen_Bond_Acceptor_Count	14
2239	Undefined_Bond_Stereo_Count	0
24917008	Molecular_Weight	290.42
2135	Defined_Atom_Stereo_Count	0
53470	Defined_Bond_Stereo_Count	0
443879	Exact_Mass	325.240564612
7873	Defined_Bond_Stereo_Count	0
4713215	Covalent_Unit_Count	1
8405	Mono_Isotopic_Weight	129.057849228
10168	Total_Formal_Charge	0
71317096	Molecular_Weight	182.17
10256668	Non-hydrogen_Atom_Count	40
71573986	XLogP3-AA	1.3
57156265	Mono_Isotopic_Weight	108.057514874
25072736	Defined_Bond_Stereo_Count	0
446611	Molecular_Weight	180.16
6429	Defined_Atom_Stereo_Count	0
9863	Structure_Complexity	10
197160	Covalent_Unit_Count	1
138394156	Isotope_Atom_Count	0
23247721	XLogP3-AA	2.7
7094	Exact_Mass	166.172150702
11467403	Structure_Complexity	683
58265190	Exact_Mass	180.06338810
5045	Non-hydrogen_Atom_Count	28
67112	Hydrogen_Bond_Donor_Count	1
18410302	Hydrogen_Bond_Acceptor_Count	3
135391165	Defined_Bond_Stereo_Count	1
3331	Hydrogen_Bond_Acceptor_Count	4
7043900	Covalent_Unit_Count	1
59894	XLogP3	1.8
7140	Hydrogen_Bond_Donor_Count	1
20729555	Undefined_Atom_Stereo_Count	0
34740	Tautomer_Count	1
54295724	Defined_Bond_Stereo_Count	0
135779804	Hydrogen_Bond_Acceptor_Count	5
1725	TPSA	75.9
12395209	TPSA	12.9
11441796	Structure_Complexity	575
12213589	Defined_Atom_Stereo_Count	0
92129	Defined_Bond_Stereo_Count	0
56659	Total_Formal_Charge	0
121493082	Hydrogen_Bond_Donor_Count	47
4361	Exact_Mass	327.256214676
9914506	Structure_Complexity	730
59755734	TPSA	3.2
12817963	XLogP3-AA	0.3
10224181	Mono_Isotopic_Weight	424.14230712
165717	Exact_Mass	100.052429494
9205	Non-hydrogen_Atom_Count	13
15110788	Defined_Atom_Stereo_Count	0
10469079	Defined_Bond_Stereo_Count	0
13427979	Hydrogen_Bond_Donor_Count	0
23103	Undefined_Atom_Stereo_Count	0
5909	Exact_Mass	244.0978555
19041912	Total_Formal_Charge	0
10197646	Defined_Atom_Stereo_Count	0
4096517	Hydrogen_Bond_Donor_Count	0
6559	XLogP3	0.5
7303	Hydrogen_Bond_Donor_Count	0
89629295	Total_Formal_Charge	0
10267191	Molecular_Weight	307.13
8449	Isotope_Atom_Count	0
53701416	Defined_Atom_Stereo_Count	0
8843	TPSA	17.1
131954763	Structure_Complexity	494
4739	Isotope_Atom_Count	0
52921770	Mono_Isotopic_Weight	296.271530387
129815925	Exact_Mass	96.068748264
153816117	Mono_Isotopic_Weight	113.047678466
2562	Hydrogen_Bond_Acceptor_Count	4
13905	Rotatable_Bond_Count	5
12709580	Structure_Complexity	112
6186	Molecular_Weight	397.4
611967	Isotope_Atom_Count	0
117045595	TPSA	29.1
35654	Defined_Bond_Stereo_Count	0
25093485	TPSA	79.4
50094	TPSA	0
23385871	Covalent_Unit_Count	1
9965424	Defined_Bond_Stereo_Count	0
89986047	XLogP3-AA	1
6335507	Defined_Atom_Stereo_Count	2
11549937	Rotatable_Bond_Count	9
10351670	Undefined_Bond_Stereo_Count	0
392622	Non-hydrogen_Atom_Count	50
44453028	Covalent_Unit_Count	2
57023262	Hydrogen_Bond_Acceptor_Count	2
9794056	Hydrogen_Bond_Donor_Count	5
734215	Hydrogen_Bond_Donor_Count	1
6683	TPSA	94.8
49869041	Defined_Atom_Stereo_Count	0
23649154	TPSA	56.5
651751	Total_Formal_Charge	0
9898440	XLogP3-AA	7.5
625469	Mono_Isotopic_Weight	421.036590
444360	Covalent_Unit_Count	1
16760287	Defined_Bond_Stereo_Count	0
10162630	Molecular_Weight	477.0
90754	Exact_Mass	299.1189253
16721	Defined_Bond_Stereo_Count	0
55291103	Mono_Isotopic_Weight	114.042927438
69601	Exact_Mass	116.062600255
92301	Exact_Mass	152.120115130
27447	XLogP3	0.6
135013065	Molecular_Weight	115.17
23981	Rotatable_Bond_Count	0
9838356	Structure_Complexity	363
556836	TPSA	20.2
9885626	Hydrogen_Bond_Acceptor_Count	5
11442	Undefined_Bond_Stereo_Count	0
80426	Defined_Bond_Stereo_Count	0
17787271	Covalent_Unit_Count	1
16131097	Isotope_Atom_Count	0
8332	Rotatable_Bond_Count	3
65871	Non-hydrogen_Atom_Count	26
158150	Tautomer_Count	1
16407	Covalent_Unit_Count	1
3033674	Hydrogen_Bond_Acceptor_Count	8
98930	Undefined_Atom_Stereo_Count	1
65984620	Mono_Isotopic_Weight	112.052429494
59067341	Covalent_Unit_Count	1
24901143	Mono_Isotopic_Weight	483.1383406
17168	Non-hydrogen_Atom_Count	17
54303	Total_Formal_Charge	0
11512	Molecular_Weight	114.23
70321834	Rotatable_Bond_Count	1
135412163	TPSA	83.8
5311426	Defined_Atom_Stereo_Count	0
20791685	Isotope_Atom_Count	0
85988	Hydrogen_Bond_Acceptor_Count	5
11078	TPSA	64.8
882889	XLogP3-AA	5
101742	XLogP3-AA	4.3
23520950	Hydrogen_Bond_Donor_Count	0
4126	Undefined_Atom_Stereo_Count	4
819	Defined_Atom_Stereo_Count	0
11510932	Non-hydrogen_Atom_Count	31
556051	Exact_Mass	106.041864811
15335183	Hydrogen_Bond_Acceptor_Count	2
66591148	Total_Formal_Charge	0
6537	XLogP3-AA	8.9
32708	TPSA	65.7
903069	Molecular_Weight	286.17
13551	Total_Formal_Charge	0
23010495	Molecular_Weight	284.35
10833571	Non-hydrogen_Atom_Count	28
11140632	Total_Formal_Charge	0
73885	Non-hydrogen_Atom_Count	7
3035668	TPSA	81.4
8857	TPSA	26.3
644007	Structure_Complexity	405
151039	Mono_Isotopic_Weight	100.088815002
126710233	Structure_Complexity	68.5
133621	Structure_Complexity	275
6918283	Covalent_Unit_Count	4
53669425	Molecular_Weight	259.20
20219	Isotope_Atom_Count	0
105053	Undefined_Atom_Stereo_Count	0
64865	TPSA	75.4
11732	Rotatable_Bond_Count	1
2308	Molecular_Weight	408.9
6450816	Mono_Isotopic_Weight	612.2173192
156587369	Undefined_Bond_Stereo_Count	0
25078013	Mono_Isotopic_Weight	1671.90967533
119096	Molecular_Weight	292.33
5665	Structure_Complexity	112
101304	Non-hydrogen_Atom_Count	18
14569053	Total_Formal_Charge	0
2749	Molecular_Weight	207.27
71308614	Rotatable_Bond_Count	18
11809740	Hydrogen_Bond_Donor_Count	0
5489948	Hydrogen_Bond_Acceptor_Count	13
13371699	Non-hydrogen_Atom_Count	35
12542086	Defined_Bond_Stereo_Count	0
90703052	Hydrogen_Bond_Donor_Count	0
15786916	Mono_Isotopic_Weight	60.012887157
86389	Defined_Bond_Stereo_Count	0
88598101	Covalent_Unit_Count	1
54686261	Undefined_Atom_Stereo_Count	0
81223	Tautomer_Count	2
19540	Tautomer_Count	1
933147	Hydrogen_Bond_Acceptor_Count	5
10892838	Total_Formal_Charge	0
3260420	Hydrogen_Bond_Acceptor_Count	1
59540609	Rotatable_Bond_Count	2
26877	Undefined_Atom_Stereo_Count	2
156120	XLogP3-AA	0
19768867	Total_Formal_Charge	0
4667	Rotatable_Bond_Count	6
743295	Non-hydrogen_Atom_Count	18
124823	Defined_Bond_Stereo_Count	0
5388949	Undefined_Atom_Stereo_Count	0
103656	XLogP3-AA	2
37545	Covalent_Unit_Count	1
11589453	Hydrogen_Bond_Acceptor_Count	5
6962	Non-hydrogen_Atom_Count	16
17805735	Structure_Complexity	54
10987215	Isotope_Atom_Count	0
15207340	Exact_Mass	118.099379685
16211283	Exact_Mass	396.1815851
101094784	Hydrogen_Bond_Acceptor_Count	5
79472	Molecular_Weight	445.3
60196394	Isotope_Atom_Count	0
22833317	Molecular_Weight	192.25
26738	Tautomer_Count	409
53736293	Rotatable_Bond_Count	1
2734	Exact_Mass	184.9879707
235303	Hydrogen_Bond_Donor_Count	1
12634652	Undefined_Bond_Stereo_Count	0
11194307	XLogP3-AA	2.5
9547928	Molecular_Weight	673.9
197998	Exact_Mass	359.1652068
894278	Undefined_Bond_Stereo_Count	0
60172	Structure_Complexity	327
31233	Total_Formal_Charge	0
17360	Exact_Mass	451.13721
22286946	Mono_Isotopic_Weight	99.068413911
78704	Undefined_Bond_Stereo_Count	0
45085022	Non-hydrogen_Atom_Count	8
86590530	Molecular_Weight	25.006
59665407	Undefined_Bond_Stereo_Count	0
5032	Total_Formal_Charge	0
10427712	Molecular_Weight	346.3
257501	Covalent_Unit_Count	1
448653	Non-hydrogen_Atom_Count	54
6723	Isotope_Atom_Count	0
11317	Undefined_Atom_Stereo_Count	0
6385	Covalent_Unit_Count	1
15805370	TPSA	17.1
96251	Mono_Isotopic_Weight	244.088815002
76974846	Defined_Atom_Stereo_Count	2
130918	Isotope_Atom_Count	0
53485229	Undefined_Atom_Stereo_Count	0
517055	Mono_Isotopic_Weight	144.01872368
2822	Covalent_Unit_Count	1
54493	Tautomer_Count	2
1359	Non-hydrogen_Atom_Count	15
5324278	Molecular_Weight	87.12
639420	Defined_Bond_Stereo_Count	0
12318317	Hydrogen_Bond_Acceptor_Count	1
19633	Tautomer_Count	3
5367650	Total_Formal_Charge	0
3169	Exact_Mass	236.152477885
391	TPSA	113
8117	Non-hydrogen_Atom_Count	7
3790	Covalent_Unit_Count	1
34303	Exact_Mass	234.198365449
9811611	Rotatable_Bond_Count	10
66494	TPSA	77.8
70807	Total_Formal_Charge	0
58054368	Total_Formal_Charge	0
10898663	Structure_Complexity	55.7
135459971	Non-hydrogen_Atom_Count	19
16133892	Covalent_Unit_Count	1
448718	Undefined_Atom_Stereo_Count	0
349957	Molecular_Weight	330.2
2574	Hydrogen_Bond_Acceptor_Count	3
3690	Molecular_Weight	261.08
68745835	Hydrogen_Bond_Acceptor_Count	1
15463	Undefined_Atom_Stereo_Count	0
260809	Hydrogen_Bond_Acceptor_Count	3
19143	XLogP3	2.6
67112011	Defined_Atom_Stereo_Count	0
9571016	Mono_Isotopic_Weight	576.156552
10197636	Exact_Mass	100.052429494
25002426	Molecular_Weight	433.4
21670825	TPSA	0
2403	Undefined_Atom_Stereo_Count	0
5284	Rotatable_Bond_Count	3
222284	XLogP3-AA	9.3
3681305	TPSA	83.4
23684827	Mono_Isotopic_Weight	138.97039376
133562683	Molecular_Weight	721.8
53346602	Mono_Isotopic_Weight	116.047344113
13820629	Total_Formal_Charge	0
54391876	Hydrogen_Bond_Donor_Count	1
53315110	TPSA	56.8
93738	Hydrogen_Bond_Donor_Count	0
703047	Total_Formal_Charge	0
12743036	XLogP3-AA	0.6
16272	Isotope_Atom_Count	0
122173799	Defined_Bond_Stereo_Count	0
5203	Hydrogen_Bond_Donor_Count	1
429571	Total_Formal_Charge	0
72373	Exact_Mass	234.02067859
25164108	Isotope_Atom_Count	0
191	Total_Formal_Charge	0
136504	Structure_Complexity	50
22123474	Undefined_Atom_Stereo_Count	1
123678021	Exact_Mass	108.093900383
4927	Covalent_Unit_Count	1
16157	Total_Formal_Charge	0
12596294	Defined_Atom_Stereo_Count	0
20084	Total_Formal_Charge	0
14539800	Structure_Complexity	659
30664	Structure_Complexity	36.9
5284391	Non-hydrogen_Atom_Count	27
5367588	Hydrogen_Bond_Acceptor_Count	0
17865	Undefined_Atom_Stereo_Count	0
20435525	Hydrogen_Bond_Donor_Count	0
5775	Exact_Mass	281.152812238
57773	Defined_Atom_Stereo_Count	0
15940170	Rotatable_Bond_Count	7
71346	Isotope_Atom_Count	0
37464	TPSA	41.5
12220383	Hydrogen_Bond_Acceptor_Count	1
129796181	Non-hydrogen_Atom_Count	7
86183	TPSA	54.1
5866327	Defined_Atom_Stereo_Count	0
86101	Molecular_Weight	418.27
6441264	Structure_Complexity	1870
11644097	TPSA	93
34696	Undefined_Bond_Stereo_Count	0
11973	TPSA	201
25162926	Rotatable_Bond_Count	6
7571	Non-hydrogen_Atom_Count	17
3665684	Hydrogen_Bond_Donor_Count	0
60823	Total_Formal_Charge	0
9261	Hydrogen_Bond_Acceptor_Count	2
7244	XLogP3	2.4
1024	Molecular_Weight	330.21
66156	Exact_Mass	203.9576748
168131	Mono_Isotopic_Weight	251.154823615
208921	Tautomer_Count	1
13401998	Mono_Isotopic_Weight	99.068413911
210739	Rotatable_Bond_Count	2
10217663	Defined_Bond_Stereo_Count	0
54184524	Hydrogen_Bond_Acceptor_Count	2
443100	Rotatable_Bond_Count	8
71750	TPSA	58.7
11426929	Mono_Isotopic_Weight	311.16337692
373137	Defined_Atom_Stereo_Count	0
12636255	TPSA	32.8
9073	Non-hydrogen_Atom_Count	23
7794	Mono_Isotopic_Weight	154.135765193
12276	Non-hydrogen_Atom_Count	10
18541897	Isotope_Atom_Count	0
24812	Isotope_Atom_Count	0
101602193	Structure_Complexity	1510
2296	Undefined_Atom_Stereo_Count	2
44392124	Undefined_Bond_Stereo_Count	0
79824	Structure_Complexity	125
644160	Total_Formal_Charge	0
16219676	Tautomer_Count	6
11020241	Isotope_Atom_Count	0
21501	Hydrogen_Bond_Donor_Count	1
123223196	TPSA	29.5
638088	Defined_Bond_Stereo_Count	1
17151	Structure_Complexity	186
69462477	Structure_Complexity	76.8
3533	Undefined_Bond_Stereo_Count	0
18730066	XLogP3-AA	2.7
65752	Exact_Mass	287.105862047
7351	XLogP3-AA	2.5
20690429	Molecular_Weight	469.6
45357473	Hydrogen_Bond_Donor_Count	0
102515495	Hydrogen_Bond_Acceptor_Count	6
13788048	Structure_Complexity	520
4220190	Non-hydrogen_Atom_Count	8
5497195	Defined_Bond_Stereo_Count	1
46085	Defined_Bond_Stereo_Count	0
9318	Molecular_Weight	405.1
23616278	Molecular_Weight	92.57
129786694	Exact_Mass	99.032028402
76771	Covalent_Unit_Count	3
514067	Isotope_Atom_Count	0
52943373	Undefined_Atom_Stereo_Count	0
66559276	Undefined_Bond_Stereo_Count	0
968688	Hydrogen_Bond_Donor_Count	0
20392	Mono_Isotopic_Weight	180.04225873
26181	Total_Formal_Charge	0
2817	Mono_Isotopic_Weight	179.0137915
15106	TPSA	38
13483161	Undefined_Atom_Stereo_Count	0
138564	Covalent_Unit_Count	1
8150	Total_Formal_Charge	0
131721456	Structure_Complexity	386
24393	Defined_Bond_Stereo_Count	0
78931	Hydrogen_Bond_Acceptor_Count	2
56679001	Structure_Complexity	586
704314	Exact_Mass	302.01836991
7232	Total_Formal_Charge	0
16133793	Covalent_Unit_Count	1
6795	Undefined_Bond_Stereo_Count	0
7346	Defined_Bond_Stereo_Count	0
11517780	Non-hydrogen_Atom_Count	29
43580	Isotope_Atom_Count	0
12285893	Molecular_Weight	181.16
23695324	Hydrogen_Bond_Acceptor_Count	7
5283748	Defined_Atom_Stereo_Count	6
12514	Non-hydrogen_Atom_Count	7
564864	XLogP3	3.8
231971	Defined_Bond_Stereo_Count	0
14184	Molecular_Weight	345.9
13465027	Hydrogen_Bond_Acceptor_Count	2
6786	Defined_Atom_Stereo_Count	0
11768503	TPSA	9.2
9844747	Structure_Complexity	553
85708088	XLogP3-AA	3.2
6854	Tautomer_Count	1
17804394	Structure_Complexity	76.8
4775	Structure_Complexity	137
53839028	Non-hydrogen_Atom_Count	7
552109	Molecular_Weight	118.17
6433076	Structure_Complexity	346
4427	Undefined_Bond_Stereo_Count	0
102318232	Undefined_Atom_Stereo_Count	0
65859	Defined_Bond_Stereo_Count	0
18635	Hydrogen_Bond_Donor_Count	0
27642	Molecular_Weight	134.13
651092	Exact_Mass	331.10314248
50360	Exact_Mass	213.078978594
72429	Defined_Atom_Stereo_Count	3
44577611	Hydrogen_Bond_Donor_Count	0
19259	Undefined_Atom_Stereo_Count	0
225	Defined_Atom_Stereo_Count	0
135080	Mono_Isotopic_Weight	253.011769
97497	Molecular_Weight	96.13
8520	Defined_Atom_Stereo_Count	0
143399	Total_Formal_Charge	0
11126224	Exact_Mass	116.047344113
14282406	TPSA	38.8
24955007	Mono_Isotopic_Weight	566.1586568
80297114	Rotatable_Bond_Count	1
23983765	Rotatable_Bond_Count	4
5284514	Exact_Mass	348.183778013
85838693	Isotope_Atom_Count	0
23574312	Hydrogen_Bond_Acceptor_Count	1
445032	Rotatable_Bond_Count	5
50614	Mono_Isotopic_Weight	575.00214522
55062	Defined_Bond_Stereo_Count	0
16219160	Undefined_Bond_Stereo_Count	0
31247	Mono_Isotopic_Weight	114.068079557
444266	Molecular_Weight	116.07
46625	Exact_Mass	195.05315777
40855	Covalent_Unit_Count	1
41353	Rotatable_Bond_Count	6
141545	Mono_Isotopic_Weight	109.089149355
5321948	TPSA	87
19100566	Hydrogen_Bond_Donor_Count	2
79059	Isotope_Atom_Count	0
20055408	Undefined_Atom_Stereo_Count	0
65280	Covalent_Unit_Count	1
54239389	Undefined_Atom_Stereo_Count	0
76229	Hydrogen_Bond_Donor_Count	1
872	Non-hydrogen_Atom_Count	23
11672461	Defined_Atom_Stereo_Count	1
7428	Undefined_Atom_Stereo_Count	0
60561	Covalent_Unit_Count	1
123271	Rotatable_Bond_Count	0
3012	Undefined_Atom_Stereo_Count	0
643606	Undefined_Atom_Stereo_Count	0
104870	Mono_Isotopic_Weight	281.0520241
101989	Mono_Isotopic_Weight	274.229665576
20825	Covalent_Unit_Count	1
2318095	XLogP3-AA	4.3
19704286	Rotatable_Bond_Count	0
7447	Hydrogen_Bond_Acceptor_Count	4
35766	TPSA	272
9810709	Undefined_Atom_Stereo_Count	0
83287	Structure_Complexity	165
1422	Non-hydrogen_Atom_Count	27
18730041	Structure_Complexity	58.4
5897	Non-hydrogen_Atom_Count	17
53645872	Undefined_Bond_Stereo_Count	0
137843	Hydrogen_Bond_Acceptor_Count	0
34757	Total_Formal_Charge	0
14508	Covalent_Unit_Count	1
22976356	Total_Formal_Charge	0
40361	Structure_Complexity	287
63974	Hydrogen_Bond_Acceptor_Count	6
90547	Undefined_Atom_Stereo_Count	0
156599213	Covalent_Unit_Count	1
6326719	Structure_Complexity	1940
13529	XLogP3	1.7
4708	Rotatable_Bond_Count	4
24813	Defined_Bond_Stereo_Count	0
162268759	Non-hydrogen_Atom_Count	6
125409	Non-hydrogen_Atom_Count	10
11572	Undefined_Bond_Stereo_Count	0
5361463	Hydrogen_Bond_Acceptor_Count	3
59709	Covalent_Unit_Count	5
56840987	Defined_Atom_Stereo_Count	6
36573	Isotope_Atom_Count	0
527031	Undefined_Bond_Stereo_Count	0
176595	TPSA	154
23688987	Tautomer_Count	1
14794988	Non-hydrogen_Atom_Count	8
446320	Tautomer_Count	3
151592	Covalent_Unit_Count	1
98685	Exact_Mass	240.126263138
9949821	Isotope_Atom_Count	0
11522448	Mono_Isotopic_Weight	310.1369878
44925	Tautomer_Count	1
657237	Defined_Bond_Stereo_Count	0
2895	Undefined_Bond_Stereo_Count	0
68976065	TPSA	12
50938	Molecular_Weight	257.37
94987	Tautomer_Count	1
11751549	Rotatable_Bond_Count	8
138669688	Exact_Mass	764.3738198
90973	Defined_Atom_Stereo_Count	0
25271979	Structure_Complexity	405
154489025	Isotope_Atom_Count	0
21953621	Structure_Complexity	358
3813	Defined_Bond_Stereo_Count	0
5153297	Molecular_Weight	130.13
969097	Mono_Isotopic_Weight	288.11100700
3084250	Total_Formal_Charge	0
134990043	Non-hydrogen_Atom_Count	7
154000	XLogP3-AA	4
10419137	Hydrogen_Bond_Donor_Count	1
5311272	Molecular_Weight	432.5
14842942	Molecular_Weight	204.06
4206565	XLogP3	2.3
548353	Total_Formal_Charge	0
98511	Non-hydrogen_Atom_Count	15
133728	XLogP3-AA	3.1
16080117	Covalent_Unit_Count	1
13236258	Total_Formal_Charge	0
92855	Defined_Atom_Stereo_Count	6
91726	Molecular_Weight	232.23
8506	Structure_Complexity	652
9954944	Exact_Mass	441.16483347
9690	Exact_Mass	277.07144843
534439	TPSA	9.2
43513	Undefined_Atom_Stereo_Count	0
197383	Hydrogen_Bond_Donor_Count	1
21977262	Molecular_Weight	212.00
12046	Covalent_Unit_Count	1
70687387	XLogP3-AA	3.3
2100	Structure_Complexity	1840
10309899	Defined_Bond_Stereo_Count	0
339213	Undefined_Atom_Stereo_Count	0
118578546	Hydrogen_Bond_Acceptor_Count	2
10754	Hydrogen_Bond_Donor_Count	4
14081616	Covalent_Unit_Count	1
103392307	Hydrogen_Bond_Acceptor_Count	1
92131818	Undefined_Bond_Stereo_Count	0
23038090	Total_Formal_Charge	0
1718	Non-hydrogen_Atom_Count	23
9279	Defined_Atom_Stereo_Count	0
20644245	Non-hydrogen_Atom_Count	7
12669582	Covalent_Unit_Count	1
61136	Undefined_Bond_Stereo_Count	0
28361	Total_Formal_Charge	0
53893761	Undefined_Bond_Stereo_Count	0
5284535	Mono_Isotopic_Weight	392.1390516
161032	Mono_Isotopic_Weight	130.04523611
71437313	XLogP3-AA	0.8
704528	Mono_Isotopic_Weight	280.08816355
129631047	Mono_Isotopic_Weight	657.83124
4098	XLogP3-AA	2.6
67258976	Undefined_Atom_Stereo_Count	0
4283516	TPSA	231
133562729	Mono_Isotopic_Weight	1084.47265329
5354486	Total_Formal_Charge	0
56971	XLogP3-AA	1.5
57394211	XLogP3-AA	3.9
40466900	Hydrogen_Bond_Donor_Count	0
14572930	Hydrogen_Bond_Donor_Count	0
70702306	Molecular_Weight	385.5
49858374	Isotope_Atom_Count	0
58173	Tautomer_Count	13
46926544	Molecular_Weight	380.4
870718	Exact_Mass	250.09535693
124525065	Rotatable_Bond_Count	0
10411334	Defined_Bond_Stereo_Count	0
135409474	Covalent_Unit_Count	1
638057	Total_Formal_Charge	0
156588860	Rotatable_Bond_Count	9
18150	Molecular_Weight	120.58
18075	Molecular_Weight	210.23
68322184	Exact_Mass	354.14920402
108156	Tautomer_Count	1
10203245	Hydrogen_Bond_Acceptor_Count	9
182420	Defined_Bond_Stereo_Count	0
66992840	Undefined_Atom_Stereo_Count	0
138059664	Rotatable_Bond_Count	25
50923	Tautomer_Count	2
57856017	Rotatable_Bond_Count	0
31005	Structure_Complexity	439
10592	Rotatable_Bond_Count	2
33068	Isotope_Atom_Count	0
189594	Undefined_Bond_Stereo_Count	0
123392765	TPSA	67.9
21930812	TPSA	50.1
10149311	Total_Formal_Charge	0
129796414	Mono_Isotopic_Weight	177.02483502
57782	Rotatable_Bond_Count	5
23579326	Structure_Complexity	481
8559	XLogP3	4
59771	Total_Formal_Charge	0
98231	XLogP3	1.4
162344793	Molecular_Weight	1011.7
69829	Exact_Mass	96.093900383
6918558	Undefined_Bond_Stereo_Count	0
141187507	Defined_Atom_Stereo_Count	0
9912092	Exact_Mass	460.13042228
54453800	Non-hydrogen_Atom_Count	8
885569	Mono_Isotopic_Weight	264.982797
53384398	Covalent_Unit_Count	1
39048	Isotope_Atom_Count	0
23585071	Undefined_Bond_Stereo_Count	0
153994	Undefined_Bond_Stereo_Count	0
15535273	Covalent_Unit_Count	1
164668700	Exact_Mass	110.036779430
99080	Tautomer_Count	1
5312978	Isotope_Atom_Count	0
73619	Structure_Complexity	1140
176166	Tautomer_Count	3
23635314	Hydrogen_Bond_Acceptor_Count	5
75081	Defined_Bond_Stereo_Count	0
149026	Undefined_Atom_Stereo_Count	0
7668	Defined_Atom_Stereo_Count	0
2170	Total_Formal_Charge	0
72728690	TPSA	33
54738	Rotatable_Bond_Count	3
12459578	Isotope_Atom_Count	0
54012932	Undefined_Atom_Stereo_Count	2
71978	TPSA	277
95837	Defined_Atom_Stereo_Count	0
543	Hydrogen_Bond_Acceptor_Count	6
80426	Undefined_Atom_Stereo_Count	0
98092	Mono_Isotopic_Weight	318.06003405
18545678	Non-hydrogen_Atom_Count	7
149362669	Mono_Isotopic_Weight	98.073164938
63036	Non-hydrogen_Atom_Count	32
5359227	Mono_Isotopic_Weight	397.12903910
146158693	Defined_Atom_Stereo_Count	2
428338	Rotatable_Bond_Count	2
155970341	Undefined_Bond_Stereo_Count	1
5310985	Molecular_Weight	308.4
5003096	TPSA	67.4
21723	Exact_Mass	502.077368
137724	Tautomer_Count	1
85843728	Hydrogen_Bond_Acceptor_Count	2
716121	Hydrogen_Bond_Donor_Count	0
13009	Total_Formal_Charge	0
12220383	Isotope_Atom_Count	0
12502754	Defined_Atom_Stereo_Count	0
117059122	Rotatable_Bond_Count	8
156595906	Mono_Isotopic_Weight	852.15113847
4538	Hydrogen_Bond_Donor_Count	3
23389448	Isotope_Atom_Count	0
298082	Mono_Isotopic_Weight	112.052429494
60510	Isotope_Atom_Count	0
9247	Isotope_Atom_Count	0
93738	Isotope_Atom_Count	0
54066875	Structure_Complexity	110
24965990	Hydrogen_Bond_Donor_Count	0
63935844	Total_Formal_Charge	0
79964	Non-hydrogen_Atom_Count	9
11954321	Exact_Mass	251.06545379
56603728	Hydrogen_Bond_Acceptor_Count	5
450268	Non-hydrogen_Atom_Count	14
22091031	Exact_Mass	114.068079557
44310721	TPSA	67.2
136838	Structure_Complexity	86.6
3988	Tautomer_Count	2
403821	Hydrogen_Bond_Acceptor_Count	8
5128450	Defined_Atom_Stereo_Count	0
88332	Undefined_Bond_Stereo_Count	0
108046	Covalent_Unit_Count	1
254598	Undefined_Bond_Stereo_Count	0
10341191	Total_Formal_Charge	0
134688474	Defined_Bond_Stereo_Count	0
103656	Isotope_Atom_Count	0
35331	Rotatable_Bond_Count	0
6436063	Total_Formal_Charge	0
67553	Mono_Isotopic_Weight	369.18925
53763878	Covalent_Unit_Count	1
13068494	Hydrogen_Bond_Donor_Count	1
573592	Non-hydrogen_Atom_Count	8
146681110	Structure_Complexity	2010
90728924	Defined_Bond_Stereo_Count	0
70682213	Undefined_Atom_Stereo_Count	0
17355	Structure_Complexity	123
13238893	Defined_Atom_Stereo_Count	0
13696436	Covalent_Unit_Count	1
8626	TPSA	329
5321765	Undefined_Atom_Stereo_Count	0
12264	Undefined_Atom_Stereo_Count	0
32607	Hydrogen_Bond_Donor_Count	1
438	TPSA	70.4
777	Covalent_Unit_Count	1
92136216	Hydrogen_Bond_Acceptor_Count	14
15424	Isotope_Atom_Count	0
135484551	Hydrogen_Bond_Donor_Count	4
7989	TPSA	17.1
159169	Rotatable_Bond_Count	0
22062700	Defined_Bond_Stereo_Count	0
87322	XLogP3-AA	1.4
9543528	Isotope_Atom_Count	0
2569	Hydrogen_Bond_Acceptor_Count	7
4320774	Isotope_Atom_Count	0
20228407	Isotope_Atom_Count	0
7511	Structure_Complexity	59.5
118797621	Mono_Isotopic_Weight	181.06674293
19907834	Defined_Atom_Stereo_Count	0
6335	Undefined_Bond_Stereo_Count	0
43184	Covalent_Unit_Count	2
12441597	Non-hydrogen_Atom_Count	8
75345	Defined_Bond_Stereo_Count	0
15004699	Defined_Atom_Stereo_Count	0
98306	Defined_Bond_Stereo_Count	0
4454	Defined_Bond_Stereo_Count	0
91411367	Hydrogen_Bond_Acceptor_Count	0
12753	Defined_Bond_Stereo_Count	0
3081185	Undefined_Atom_Stereo_Count	0
13415148	TPSA	61.4
13246222	Tautomer_Count	1
129714937	Hydrogen_Bond_Donor_Count	0
9837656	Undefined_Bond_Stereo_Count	0
664419	Undefined_Atom_Stereo_Count	0
20617585	Mono_Isotopic_Weight	93.021463719
10330791	Covalent_Unit_Count	1
54758585	Hydrogen_Bond_Donor_Count	5
123791702	Undefined_Bond_Stereo_Count	1
5284342	Defined_Bond_Stereo_Count	0
5320	Hydrogen_Bond_Donor_Count	2
91053206	Structure_Complexity	2330
10954241	Isotope_Atom_Count	6
3054073	Rotatable_Bond_Count	0
11412	Structure_Complexity	40
54793	Covalent_Unit_Count	1
103656	Tautomer_Count	1
13331	Structure_Complexity	410
9547700	Hydrogen_Bond_Acceptor_Count	1
19430196	Undefined_Atom_Stereo_Count	0
162839	Structure_Complexity	175
92140	Structure_Complexity	1230
25183872	Covalent_Unit_Count	1
7767	Undefined_Bond_Stereo_Count	0
34173590	Covalent_Unit_Count	1
30552	Tautomer_Count	1
1549103	Undefined_Bond_Stereo_Count	0
13466096	Mono_Isotopic_Weight	210.068079557
19787479	Molecular_Weight	82.10
639420	Undefined_Atom_Stereo_Count	0
123865	TPSA	248
6432640	Hydrogen_Bond_Donor_Count	1
142107	Hydrogen_Bond_Acceptor_Count	1
5288670	Covalent_Unit_Count	1
80786	Isotope_Atom_Count	0
4284331	Covalent_Unit_Count	1
5287620	Structure_Complexity	388
520540	Undefined_Bond_Stereo_Count	0
86076207	Structure_Complexity	325
91259187	Defined_Atom_Stereo_Count	0
84363	Isotope_Atom_Count	0
15766	Rotatable_Bond_Count	1
12209629	Exact_Mass	127.099714038
84647594	Hydrogen_Bond_Donor_Count	1
23462	Total_Formal_Charge	0
153989152	Molecular_Weight	111.10
18618	TPSA	224
44	Molecular_Weight	118.04
45358014	Total_Formal_Charge	0
91468768	Non-hydrogen_Atom_Count	8
101023318	Undefined_Bond_Stereo_Count	0
48870	TPSA	73.1
59471606	Structure_Complexity	114
12517392	Covalent_Unit_Count	1
638072	Hydrogen_Bond_Acceptor_Count	0
154109449	Hydrogen_Bond_Donor_Count	1
98468	Mono_Isotopic_Weight	223.136099547
23707296	Exact_Mass	337.05488871
19910037	Undefined_Bond_Stereo_Count	0
10040	Rotatable_Bond_Count	0
16623	Undefined_Atom_Stereo_Count	0
62946	Hydrogen_Bond_Donor_Count	2
50894	Mono_Isotopic_Weight	308.17360725
539036	Defined_Bond_Stereo_Count	0
21822	Rotatable_Bond_Count	3
91463	Tautomer_Count	1
62253	Hydrogen_Bond_Donor_Count	0
129830140	Non-hydrogen_Atom_Count	15
10307853	Total_Formal_Charge	0
888374	XLogP3-AA	2.3
14425	Non-hydrogen_Atom_Count	24
5318998	Covalent_Unit_Count	1
6881	Non-hydrogen_Atom_Count	19
153577917	Non-hydrogen_Atom_Count	8
75816	Undefined_Atom_Stereo_Count	0
9956119	Tautomer_Count	14
10866664	Undefined_Bond_Stereo_Count	0
1094	Hydrogen_Bond_Donor_Count	4
94684	Hydrogen_Bond_Acceptor_Count	1
137699188	Covalent_Unit_Count	1
73356082	Covalent_Unit_Count	1
13159184	Exact_Mass	164.06847348
22349965	Mono_Isotopic_Weight	100.027277375
157787142	Hydrogen_Bond_Acceptor_Count	3
3003791	Hydrogen_Bond_Acceptor_Count	2
5541	Isotope_Atom_Count	0
70321834	Hydrogen_Bond_Acceptor_Count	3
136726	Undefined_Atom_Stereo_Count	2
10126299	Isotope_Atom_Count	0
73348210	Defined_Bond_Stereo_Count	0
6953	Hydrogen_Bond_Acceptor_Count	6
657237	TPSA	140
20111961	Defined_Atom_Stereo_Count	0
20798667	Hydrogen_Bond_Donor_Count	0
72311	Covalent_Unit_Count	2
71315012	Defined_Bond_Stereo_Count	2
23667636	Defined_Atom_Stereo_Count	0
94785	Defined_Atom_Stereo_Count	0
7248	XLogP3	2.5
11226	Hydrogen_Bond_Donor_Count	1
163613625	Non-hydrogen_Atom_Count	7
67361	Structure_Complexity	175
87424384	Defined_Bond_Stereo_Count	0
599239	Hydrogen_Bond_Donor_Count	0
2103	Undefined_Bond_Stereo_Count	0
3057	Undefined_Bond_Stereo_Count	0
136041721	Molecular_Weight	301.69
25014844	TPSA	86.2
12535	Defined_Atom_Stereo_Count	0
136183442	Hydrogen_Bond_Donor_Count	4
14079973	Hydrogen_Bond_Acceptor_Count	3
159609	Structure_Complexity	93.7
49867938	Structure_Complexity	2330
54392263	Exact_Mass	114.104465066
65651	Structure_Complexity	694
184820	Covalent_Unit_Count	1
23080867	Molecular_Weight	113.11
14896	Mono_Isotopic_Weight	136.125200510
12284	Structure_Complexity	125
7452	XLogP3	1.5
72078	Defined_Atom_Stereo_Count	7
5881	Hydrogen_Bond_Donor_Count	1
70324	Mono_Isotopic_Weight	162.104465066
10080510	Isotope_Atom_Count	0
15677	Covalent_Unit_Count	1
57395447	Defined_Bond_Stereo_Count	0
138394128	Rotatable_Bond_Count	6
57401370	Total_Formal_Charge	0
7174	Defined_Atom_Stereo_Count	0
53485229	Exact_Mass	113.027691913
161122	Defined_Bond_Stereo_Count	0
11355449	Exact_Mass	103.099714038
99858	Tautomer_Count	24
90393	Structure_Complexity	292
5330472	Exact_Mass	365.13755610
639661	Non-hydrogen_Atom_Count	6
68156	Mono_Isotopic_Weight	70.053098200
7578	Covalent_Unit_Count	1
44284481	Exact_Mass	2491.0220087
84878	Total_Formal_Charge	1
34327	Hydrogen_Bond_Acceptor_Count	0
659840	TPSA	23.5
52950190	TPSA	102
60196301	Molecular_Weight	334.2
48229	Non-hydrogen_Atom_Count	30
59603622	Isotope_Atom_Count	0
940066	Isotope_Atom_Count	0
61622	Total_Formal_Charge	0
147078	TPSA	156
44419235	Mono_Isotopic_Weight	341.11979803
71580822	Rotatable_Bond_Count	5
29629	Mono_Isotopic_Weight	160.109944368
135418587	Exact_Mass	86.02286070
705228	XLogP3-AA	3.4
21635253	XLogP3-AA	0.2
33874	Defined_Bond_Stereo_Count	0
23690927	Isotope_Atom_Count	0
15561185	XLogP3-AA	8.8
15786916	Molecular_Weight	60.03
15480319	Undefined_Atom_Stereo_Count	0
5773	Hydrogen_Bond_Donor_Count	1
101874073	Isotope_Atom_Count	0
101527072	Rotatable_Bond_Count	0
87359450	TPSA	30.9
69849	Undefined_Bond_Stereo_Count	0
24900685	Defined_Bond_Stereo_Count	0
17891	Defined_Atom_Stereo_Count	0
450503	Rotatable_Bond_Count	1
22129001	Covalent_Unit_Count	1
91495606	Hydrogen_Bond_Donor_Count	0
66908762	XLogP3-AA	1.7
54521625	Hydrogen_Bond_Donor_Count	1
852933	Structure_Complexity	490
142906448	Non-hydrogen_Atom_Count	8
16003	TPSA	45.6
3003191	Total_Formal_Charge	0
12051	Total_Formal_Charge	0
61181	Tautomer_Count	1
14819	Rotatable_Bond_Count	0
1718	Defined_Atom_Stereo_Count	0
13399110	Undefined_Bond_Stereo_Count	0
24536	Isotope_Atom_Count	0
135408511	Tautomer_Count	16
5351560	XLogP3-AA	2.3
3959	Mono_Isotopic_Weight	457.1660879
20607	Mono_Isotopic_Weight	183.162314293
10002668	Isotope_Atom_Count	0
15103	Structure_Complexity	97
5666	Tautomer_Count	1
56842231	Molecular_Weight	1141.3
1613	Tautomer_Count	1
3866	Covalent_Unit_Count	1
122517441	Molecular_Weight	270.32
12596780	Defined_Atom_Stereo_Count	0
3673	Hydrogen_Bond_Donor_Count	0
122005	Isotope_Atom_Count	0
53477715	Mono_Isotopic_Weight	639.00812033
5447130	Non-hydrogen_Atom_Count	14
5487068	Undefined_Bond_Stereo_Count	0
10080510	Tautomer_Count	1
131843960	Defined_Atom_Stereo_Count	0
125461340	Molecular_Weight	665.7
596	Hydrogen_Bond_Acceptor_Count	5
54708862	Undefined_Bond_Stereo_Count	0
53309	Hydrogen_Bond_Acceptor_Count	3
8151	XLogP3-AA	0.3
134158431	Hydrogen_Bond_Donor_Count	0
53897	Rotatable_Bond_Count	5
89131	Isotope_Atom_Count	0
142422	Covalent_Unit_Count	1
39665	Isotope_Atom_Count	0
162990684	Molecular_Weight	665.7
12577	Exact_Mass	157.00112220
10297008	Hydrogen_Bond_Acceptor_Count	9
60182	Isotope_Atom_Count	0
10026007	Non-hydrogen_Atom_Count	28
3971	Molecular_Weight	306.4
12231382	Mono_Isotopic_Weight	114.104465066
92421	Rotatable_Bond_Count	4
10877083	Molecular_Weight	113.16
46173707	Defined_Atom_Stereo_Count	15
3760	Total_Formal_Charge	0
729	Exact_Mass	169.99802494
123257569	Mono_Isotopic_Weight	110.109550447
5246202	Rotatable_Bond_Count	7
222212	Hydrogen_Bond_Donor_Count	0
56928166	Undefined_Atom_Stereo_Count	2
36131	Covalent_Unit_Count	1
22024864	Exact_Mass	99.068413911
5742590	Defined_Bond_Stereo_Count	0
9546757	Defined_Atom_Stereo_Count	1
34755	Exact_Mass	398.13723900
8491	Covalent_Unit_Count	1
5355732	Exact_Mass	81.057849228
29228	Defined_Atom_Stereo_Count	0
4345	XLogP3-AA	5.6
79148	Defined_Atom_Stereo_Count	0
57174031	Defined_Atom_Stereo_Count	1
21306027	Rotatable_Bond_Count	1
81762	Isotope_Atom_Count	0
90451	Tautomer_Count	1
51579	Defined_Atom_Stereo_Count	0
136920818	Total_Formal_Charge	0
80102	Tautomer_Count	1
10375	Isotope_Atom_Count	0
70691405	Undefined_Atom_Stereo_Count	4
6427574	Hydrogen_Bond_Acceptor_Count	2
260708	Rotatable_Bond_Count	1
12960	TPSA	151
442021	Non-hydrogen_Atom_Count	29
129652979	Isotope_Atom_Count	0
77753	Exact_Mass	212.07452486
44406	Isotope_Atom_Count	0
160606	XLogP3-AA	7.2
161602	Rotatable_Bond_Count	10
9974756	Total_Formal_Charge	0
313444	Defined_Atom_Stereo_Count	0
6433198	Rotatable_Bond_Count	16
44629594	TPSA	98.3
642132	Undefined_Bond_Stereo_Count	0
46937085	Isotope_Atom_Count	0
20200448	Molecular_Weight	112.13
87157524	Structure_Complexity	211
10461508	XLogP3-AA	4.6
156598696	Isotope_Atom_Count	0
8026	Tautomer_Count	1
9230	Exact_Mass	117.057849228
344693	Mono_Isotopic_Weight	226.099379685
12309467	Total_Formal_Charge	0
91148	Exact_Mass	168.151415257
128913	Covalent_Unit_Count	1
71360	XLogP3-AA	4.1
65677	Hydrogen_Bond_Acceptor_Count	3
92020576	Covalent_Unit_Count	1
89769287	Hydrogen_Bond_Acceptor_Count	2
65723	Undefined_Atom_Stereo_Count	0
118010650	Undefined_Bond_Stereo_Count	0
118689592	Exact_Mass	665.30474055
567118	Non-hydrogen_Atom_Count	7
69333573	TPSA	42.6
22906680	Hydrogen_Bond_Acceptor_Count	1
67808	Rotatable_Bond_Count	1
3372016	Molecular_Weight	524.7
11617559	Total_Formal_Charge	0
14517197	Molecular_Weight	107.11
6603828	Non-hydrogen_Atom_Count	26
185698	TPSA	110
136183544	Defined_Atom_Stereo_Count	0
539244	Structure_Complexity	1020
91693	Defined_Atom_Stereo_Count	0
3055	Non-hydrogen_Atom_Count	23
1894	Total_Formal_Charge	0
49757967	XLogP3-AA	0.7
42105518	Undefined_Atom_Stereo_Count	0
43331	Defined_Bond_Stereo_Count	0
87518	Hydrogen_Bond_Acceptor_Count	2
12285868	Total_Formal_Charge	0
12452576	Molecular_Weight	85.12
135887831	Covalent_Unit_Count	1
18002315	Non-hydrogen_Atom_Count	8
529212	Structure_Complexity	92.6
5318998	Hydrogen_Bond_Donor_Count	2
1308	Molecular_Weight	352.4
11346	Molecular_Weight	165.15
107971	Hydrogen_Bond_Donor_Count	5
108108	Defined_Bond_Stereo_Count	0
136730	Hydrogen_Bond_Acceptor_Count	3
3395	Molecular_Weight	330.3
46937007	Rotatable_Bond_Count	6
14343599	Undefined_Atom_Stereo_Count	0
446286	Undefined_Atom_Stereo_Count	0
17856473	Structure_Complexity	126
23672293	Non-hydrogen_Atom_Count	12
5461	Defined_Bond_Stereo_Count	0
6686	Hydrogen_Bond_Acceptor_Count	6
97725	Total_Formal_Charge	0
10005402	Defined_Bond_Stereo_Count	0
91501507	Hydrogen_Bond_Acceptor_Count	0
54520	Covalent_Unit_Count	1
11354606	Covalent_Unit_Count	1
448043	Undefined_Bond_Stereo_Count	0
166480	Structure_Complexity	468
66708587	Hydrogen_Bond_Acceptor_Count	3
13972130	Undefined_Bond_Stereo_Count	0
67432369	Rotatable_Bond_Count	0
82650926	Defined_Atom_Stereo_Count	0
95456	Covalent_Unit_Count	1
44404716	Exact_Mass	543.25556322
21907926	XLogP3-AA	0.8
20543	Molecular_Weight	457.7
57398166	Structure_Complexity	605
87186939	Exact_Mass	113.022526347
68321840	Structure_Complexity	669
3690	Rotatable_Bond_Count	5
21823	Undefined_Bond_Stereo_Count	0
794	Covalent_Unit_Count	1
80618	TPSA	157
12271349	TPSA	12.5
42552711	Mono_Isotopic_Weight	342.11621151
55414	Undefined_Bond_Stereo_Count	0
102447462	Hydrogen_Bond_Donor_Count	5
87321867	Undefined_Atom_Stereo_Count	0
12687479	Undefined_Bond_Stereo_Count	0
3283968	Exact_Mass	118.062994177
16219385	Hydrogen_Bond_Acceptor_Count	6
12222	TPSA	17.1
7110	Isotope_Atom_Count	0
193846	Defined_Bond_Stereo_Count	0
20527	XLogP3-AA	2.4
163285285	Exact_Mass	288.020082
57399796	Defined_Atom_Stereo_Count	0
68678	Exact_Mass	287.0971445
24648	XLogP3-AA	1.2
71451930	XLogP3-AA	4.3
470375	Defined_Atom_Stereo_Count	4
182176	Isotope_Atom_Count	0
54303301	XLogP3-AA	2.7
130032075	Undefined_Atom_Stereo_Count	0
2898877	Hydrogen_Bond_Donor_Count	2
6710769	Non-hydrogen_Atom_Count	29
90977886	Molecular_Weight	110.20
5486699	Hydrogen_Bond_Donor_Count	10
170249	Molecular_Weight	152.62
23567795	Covalent_Unit_Count	1
12074364	Isotope_Atom_Count	0
3885	Exact_Mass	242.094294304
54680695	Isotope_Atom_Count	0
54757474	Undefined_Bond_Stereo_Count	0
23080901	XLogP3-AA	0.1
88793951	Rotatable_Bond_Count	2
123969717	Defined_Atom_Stereo_Count	0
598760	Defined_Bond_Stereo_Count	0
139033724	Defined_Atom_Stereo_Count	31
614048	TPSA	92.3
629	Mono_Isotopic_Weight	423.18663154
6973664	Undefined_Bond_Stereo_Count	0
85491	Hydrogen_Bond_Donor_Count	1
13072114	Structure_Complexity	274
362	Hydrogen_Bond_Donor_Count	2
198498	Defined_Bond_Stereo_Count	0
60149	Covalent_Unit_Count	1
12275548	Mono_Isotopic_Weight	376.07943208
738244	Non-hydrogen_Atom_Count	15
199758	TPSA	33.1
21312986	Exact_Mass	112.063662883
11115	Molecular_Weight	236.31
133612499	Undefined_Bond_Stereo_Count	0
8600	Exact_Mass	270.07395278
186114	Isotope_Atom_Count	0
54676539	Structure_Complexity	1040
285897	Total_Formal_Charge	0
6710664	Undefined_Bond_Stereo_Count	0
11142	XLogP3-AA	3.4
133126830	TPSA	154
7642	Defined_Bond_Stereo_Count	0
101603711	Rotatable_Bond_Count	10
49862768	Defined_Atom_Stereo_Count	0
73829111	Non-hydrogen_Atom_Count	7
34192	Covalent_Unit_Count	1
10002900	XLogP3-AA	2.4
520721	XLogP3-AA	0.3
16402	Hydrogen_Bond_Donor_Count	2
536549	Rotatable_Bond_Count	0
553	Isotope_Atom_Count	0
398641	Total_Formal_Charge	0
22170205	Molecular_Weight	357.8
445580	Covalent_Unit_Count	1
4740700	Exact_Mass	149.060254526
9219	TPSA	28.7
31492	Tautomer_Count	1
69244	Rotatable_Bond_Count	2
87106789	Undefined_Bond_Stereo_Count	0
16212984	Structure_Complexity	54.9
816	Structure_Complexity	639
68764493	Hydrogen_Bond_Donor_Count	1
618566	XLogP3-AA	6.6
141516912	Hydrogen_Bond_Donor_Count	0
58714	Molecular_Weight	197.23
527633	XLogP3	1
3016	Undefined_Atom_Stereo_Count	0
102492967	Non-hydrogen_Atom_Count	30
154525053	Molecular_Weight	106.16
158221895	Mono_Isotopic_Weight	95.037113783
5717	Structure_Complexity	1010
17769620	Undefined_Bond_Stereo_Count	0
81629	Undefined_Atom_Stereo_Count	0
12769202	Total_Formal_Charge	0
323180	Hydrogen_Bond_Acceptor_Count	3
99058	Molecular_Weight	260.14
71340855	Undefined_Atom_Stereo_Count	0
15620	Structure_Complexity	27.4
7567	Hydrogen_Bond_Donor_Count	0
56625	XLogP3-AA	3.1
70381	Molecular_Weight	225.28
52355	Covalent_Unit_Count	1
73707684	Non-hydrogen_Atom_Count	7
12386878	Defined_Bond_Stereo_Count	0
51072180	Mono_Isotopic_Weight	99.068413911
23080868	Undefined_Bond_Stereo_Count	0
41049	Defined_Atom_Stereo_Count	0
21679645	Non-hydrogen_Atom_Count	8
70297750	Undefined_Atom_Stereo_Count	1
517	Defined_Bond_Stereo_Count	0
123678021	Defined_Atom_Stereo_Count	0
3686	Undefined_Bond_Stereo_Count	0
12545025	Total_Formal_Charge	0
85573191	Undefined_Bond_Stereo_Count	0
273032	Hydrogen_Bond_Donor_Count	2
8994	Undefined_Bond_Stereo_Count	0
448601	Covalent_Unit_Count	1
19930616	Isotope_Atom_Count	0
25137678	TPSA	18.5
11742	Isotope_Atom_Count	0
6918840	Mono_Isotopic_Weight	966.43078848
85663349	Hydrogen_Bond_Acceptor_Count	1
71360	Defined_Bond_Stereo_Count	0
74120	Defined_Bond_Stereo_Count	0
84811	Non-hydrogen_Atom_Count	14
71420	Exact_Mass	512.1997337
5311217	Isotope_Atom_Count	0
4866625	Exact_Mass	82.078250319
8188	Non-hydrogen_Atom_Count	12
85896	Rotatable_Bond_Count	3
139583540	TPSA	140
135424789	Hydrogen_Bond_Acceptor_Count	2
48000	Undefined_Atom_Stereo_Count	0
954608	Total_Formal_Charge	0
135761165	Molecular_Weight	439.4
73952881	Structure_Complexity	516
54686350	Isotope_Atom_Count	0
12313776	Undefined_Bond_Stereo_Count	0
274730	Hydrogen_Bond_Acceptor_Count	7
65417277	Covalent_Unit_Count	1
16049026	Rotatable_Bond_Count	13
135846130	Hydrogen_Bond_Acceptor_Count	19
47979	TPSA	119
157350	Rotatable_Bond_Count	0
135413504	TPSA	83.1
135539077	Total_Formal_Charge	0
154147714	Structure_Complexity	145
11957609	Mono_Isotopic_Weight	433.21005233
92938	Defined_Bond_Stereo_Count	0
17242	Rotatable_Bond_Count	9
58618968	Undefined_Bond_Stereo_Count	1
2757748	Non-hydrogen_Atom_Count	12
21987892	Rotatable_Bond_Count	7
59694	Exact_Mass	259.0876252
135	Tautomer_Count	8
59830609	XLogP3-AA	4.4
148557	Non-hydrogen_Atom_Count	8
55288363	Hydrogen_Bond_Donor_Count	1
6992027	Defined_Bond_Stereo_Count	0
104850	Total_Formal_Charge	0
124844	Undefined_Bond_Stereo_Count	0
183679	Non-hydrogen_Atom_Count	20
13485	Undefined_Atom_Stereo_Count	0
123839315	XLogP3-AA	1.3
17754772	Non-hydrogen_Atom_Count	23
19284	Rotatable_Bond_Count	16
55958	Total_Formal_Charge	0
88212048	Mono_Isotopic_Weight	118.062994177
5329056	Undefined_Bond_Stereo_Count	0
12904	Rotatable_Bond_Count	6
66491	Undefined_Bond_Stereo_Count	0
692726	Undefined_Bond_Stereo_Count	1
25023853	Covalent_Unit_Count	1
11608786	Total_Formal_Charge	0
9919942	Molecular_Weight	1166.1
4141306	Rotatable_Bond_Count	7
158798	Mono_Isotopic_Weight	363.13479319
83528703	Defined_Bond_Stereo_Count	0
164584	Undefined_Bond_Stereo_Count	0
3529	Molecular_Weight	670.9
96396	Molecular_Weight	174.24
719	Undefined_Atom_Stereo_Count	4
10130360	Structure_Complexity	193
138372	Hydrogen_Bond_Acceptor_Count	2
89103941	Undefined_Bond_Stereo_Count	0
98808	Undefined_Atom_Stereo_Count	0
141738	Exact_Mass	96.093900383
53741494	TPSA	9.2
23533634	Total_Formal_Charge	0
77470	Defined_Bond_Stereo_Count	0
1805	TPSA	141
5281116	Undefined_Atom_Stereo_Count	0
21390696	Mono_Isotopic_Weight	94.016712692
95361	Isotope_Atom_Count	0
554	Structure_Complexity	148
248271	Defined_Bond_Stereo_Count	0
10814237	Mono_Isotopic_Weight	470.33960994
5388962	Defined_Bond_Stereo_Count	0
9956	Undefined_Bond_Stereo_Count	0
51030898	Defined_Atom_Stereo_Count	1
10176730	Mono_Isotopic_Weight	213.0071819
6917778	Non-hydrogen_Atom_Count	19
23663954	Hydrogen_Bond_Donor_Count	0
85925	Molecular_Weight	142.28
12713	Undefined_Atom_Stereo_Count	1
136411312	Exact_Mass	146.048012819
44521024	Defined_Bond_Stereo_Count	0
923480	Structure_Complexity	352
132279451	TPSA	91
85335	XLogP3-AA	1.6
11612	Total_Formal_Charge	0
62881	TPSA	269
128814	Hydrogen_Bond_Acceptor_Count	6
60503	Tautomer_Count	2
42317	Exact_Mass	307.15320616
2764407	Defined_Atom_Stereo_Count	0
142559332	Undefined_Bond_Stereo_Count	0
350445	Exact_Mass	98.048012819
53238011	Defined_Atom_Stereo_Count	0
57069375	Defined_Atom_Stereo_Count	6
66316	Mono_Isotopic_Weight	204.078644241
130509102	Molecular_Weight	114.15
63021	Exact_Mass	340.20384475
73285	Defined_Atom_Stereo_Count	4
498430	Hydrogen_Bond_Acceptor_Count	2
91723653	Hydrogen_Bond_Acceptor_Count	0
6472	Non-hydrogen_Atom_Count	21
19736124	TPSA	41.5
439517	Undefined_Bond_Stereo_Count	0
33629	Tautomer_Count	1
45528	Hydrogen_Bond_Acceptor_Count	3
524270	TPSA	18.5
969014	Defined_Bond_Stereo_Count	0
24964624	Hydrogen_Bond_Acceptor_Count	4
413540	Defined_Bond_Stereo_Count	0
23663977	Hydrogen_Bond_Donor_Count	2
10017019	Isotope_Atom_Count	0
2734217	Structure_Complexity	433
138059742	Undefined_Bond_Stereo_Count	0
21540	Molecular_Weight	183.21
136582	Tautomer_Count	1
66636	Mono_Isotopic_Weight	232.08479225
10969	Covalent_Unit_Count	2
134694678	Mono_Isotopic_Weight	585.30501534
44134800	Exact_Mass	306.0627584
7106	Undefined_Bond_Stereo_Count	0
95456	Hydrogen_Bond_Donor_Count	2
25074887	Tautomer_Count	996
44446780	Structure_Complexity	272
6434253	Rotatable_Bond_Count	6
74041114	Rotatable_Bond_Count	1
86007746	TPSA	46.6
7566942	Mono_Isotopic_Weight	342.11621151
71300750	Structure_Complexity	533
319771	Tautomer_Count	5
8264	Mono_Isotopic_Weight	154.06712817
7607	XLogP3	4.2
549405	Molecular_Weight	111.14
14282994	Rotatable_Bond_Count	2
10148984	Non-hydrogen_Atom_Count	5
13751	Undefined_Bond_Stereo_Count	0
154914	Molecular_Weight	363.25
132781234	Undefined_Atom_Stereo_Count	0
91599894	Molecular_Weight	110.20
23332	Structure_Complexity	604
57656641	Non-hydrogen_Atom_Count	27
1466	Undefined_Bond_Stereo_Count	0
47170034	Undefined_Bond_Stereo_Count	0
19090	Rotatable_Bond_Count	1
3085218	Exact_Mass	265.157897619
23622607	Undefined_Atom_Stereo_Count	0
41506	Mono_Isotopic_Weight	346.13805082
9521	TPSA	52
59047	Total_Formal_Charge	0
751826	Hydrogen_Bond_Donor_Count	1
95162416	Total_Formal_Charge	0
2724235	Defined_Bond_Stereo_Count	0
89364481	Mono_Isotopic_Weight	116.083729621
22906680	Isotope_Atom_Count	0
449069	Rotatable_Bond_Count	0
40391	TPSA	32.7
115071571	Exact_Mass	114.068079557
637939	Hydrogen_Bond_Acceptor_Count	1
5284385	TPSA	44.5
82528	Exact_Mass	280.240230259
9275	Structure_Complexity	260
71601	Rotatable_Bond_Count	0
58051	Hydrogen_Bond_Acceptor_Count	4
6451477	Tautomer_Count	1
143286	Undefined_Bond_Stereo_Count	0
23725019	Isotope_Atom_Count	0
15308711	Isotope_Atom_Count	0
7075	Undefined_Atom_Stereo_Count	0
155893809	Mono_Isotopic_Weight	114.068079557
14815775	Structure_Complexity	133
104967	Hydrogen_Bond_Acceptor_Count	0
9223	Molecular_Weight	118.13
12244	Covalent_Unit_Count	1
161760	Defined_Atom_Stereo_Count	0
2582	Defined_Bond_Stereo_Count	0
54493752	Covalent_Unit_Count	1
36933	Undefined_Atom_Stereo_Count	0
19165	Hydrogen_Bond_Donor_Count	0
162649852	Covalent_Unit_Count	1
5374274	Defined_Atom_Stereo_Count	0
70694813	Isotope_Atom_Count	0
854150	Defined_Bond_Stereo_Count	0
65866	Defined_Atom_Stereo_Count	0
38855	Mono_Isotopic_Weight	356.29265975
49869877	Undefined_Bond_Stereo_Count	0
544627	Defined_Atom_Stereo_Count	0
121396	Hydrogen_Bond_Acceptor_Count	5
44531649	Isotope_Atom_Count	0
18738120	Tautomer_Count	2
17412	Defined_Bond_Stereo_Count	0
135403804	Hydrogen_Bond_Acceptor_Count	6
135191	Defined_Bond_Stereo_Count	0
2737701	Mono_Isotopic_Weight	112.04367633
17864	Structure_Complexity	28.7
9956127	TPSA	117
24971342	Structure_Complexity	427
18422690	Mono_Isotopic_Weight	110.048012819
821	Defined_Atom_Stereo_Count	0
1368742	Non-hydrogen_Atom_Count	21
10240775	Mono_Isotopic_Weight	103.063328530
24771	Covalent_Unit_Count	1
11526038	Total_Formal_Charge	0
43002	Hydrogen_Bond_Acceptor_Count	5
78358485	Rotatable_Bond_Count	5
5311311	Hydrogen_Bond_Donor_Count	16
135408511	Mono_Isotopic_Weight	323.199762429
54265485	Structure_Complexity	86.5
166033	Tautomer_Count	1
3036154	Non-hydrogen_Atom_Count	60
53378550	Molecular_Weight	453.9
57239380	Covalent_Unit_Count	1
640180	Rotatable_Bond_Count	4
20662	Hydrogen_Bond_Acceptor_Count	2
70682213	Mono_Isotopic_Weight	429.19132300
6537099	Covalent_Unit_Count	1
80507	Isotope_Atom_Count	0
129629038	Undefined_Bond_Stereo_Count	0
5282209	Mono_Isotopic_Weight	590.26281617
3526	XLogP3-AA	1.7
28064676	Rotatable_Bond_Count	1
21583979	Rotatable_Bond_Count	0
23513454	Total_Formal_Charge	0
12198109	Undefined_Bond_Stereo_Count	0
1009	Defined_Bond_Stereo_Count	0
226832	Hydrogen_Bond_Donor_Count	2
441278	Defined_Atom_Stereo_Count	3
26398	Total_Formal_Charge	0
347590	TPSA	63.7
13224	Defined_Atom_Stereo_Count	0
47795	TPSA	41.6
30185	Hydrogen_Bond_Acceptor_Count	16
81530	Defined_Bond_Stereo_Count	0
13521834	Undefined_Bond_Stereo_Count	0
404289	Undefined_Bond_Stereo_Count	0
74062	Non-hydrogen_Atom_Count	15
277406	Isotope_Atom_Count	0
10909501	Undefined_Bond_Stereo_Count	0
131750798	Total_Formal_Charge	0
4132	Molecular_Weight	492.5
207286	XLogP3-AA	1.6
42710	Non-hydrogen_Atom_Count	25
734	Undefined_Bond_Stereo_Count	1
26033	Undefined_Bond_Stereo_Count	0
14689526	Structure_Complexity	130
22753620	Undefined_Atom_Stereo_Count	0
16533	Defined_Bond_Stereo_Count	0
6184	Covalent_Unit_Count	1
10996	Non-hydrogen_Atom_Count	7
5284613	Undefined_Bond_Stereo_Count	0
14067296	Exact_Mass	94.041864811
5639	Hydrogen_Bond_Donor_Count	1
6995749	Undefined_Bond_Stereo_Count	0
4168	Structure_Complexity	300
54206132	Undefined_Atom_Stereo_Count	0
9895194	Molecular_Weight	613.8
3015262	Total_Formal_Charge	0
3433	Structure_Complexity	402
446094	TPSA	42.5
16217634	Hydrogen_Bond_Acceptor_Count	0
10161315	Defined_Atom_Stereo_Count	0
61908709	Non-hydrogen_Atom_Count	8
87428	Non-hydrogen_Atom_Count	15
37890	Rotatable_Bond_Count	3
9927058	TPSA	92.2
12193653	Rotatable_Bond_Count	1
62158	Hydrogen_Bond_Donor_Count	3
3781	Hydrogen_Bond_Acceptor_Count	4
2853	Rotatable_Bond_Count	8
18430531	Covalent_Unit_Count	1
21673601	Defined_Atom_Stereo_Count	0
23672302	Total_Formal_Charge	0
198429	TPSA	163
6433695	Hydrogen_Bond_Donor_Count	1
53316376	Mono_Isotopic_Weight	516.07286792
2795115	Total_Formal_Charge	0
12968	Undefined_Bond_Stereo_Count	0
24041599	Defined_Bond_Stereo_Count	0
117295	Molecular_Weight	128.22
444022	Tautomer_Count	8
64975	Hydrogen_Bond_Acceptor_Count	6
246	TPSA	89
55287187	Undefined_Atom_Stereo_Count	0
5357402	Structure_Complexity	202
91942	Hydrogen_Bond_Donor_Count	2
121733	Exact_Mass	181.110278721
3086514	Structure_Complexity	379
5282443	Total_Formal_Charge	0
116842253	TPSA	23.8
135398727	Tautomer_Count	9
340	Covalent_Unit_Count	1
67184	Tautomer_Count	3
3050408	Structure_Complexity	836
124486	Undefined_Bond_Stereo_Count	0
123896575	Rotatable_Bond_Count	1
156618034	Molecular_Weight	342.30
217	Mono_Isotopic_Weight	299.00722369
12892583	Non-hydrogen_Atom_Count	8
3917956	Structure_Complexity	134
688024	Mono_Isotopic_Weight	275.15214353
15053	XLogP3-AA	0.8
14245	TPSA	0
5029	Mono_Isotopic_Weight	359.13036271
85568	Structure_Complexity	158
8681	Rotatable_Bond_Count	4
134283942	Exact_Mass	111.068413911
3045381	Defined_Bond_Stereo_Count	0
68600	Undefined_Bond_Stereo_Count	0
92897	Tautomer_Count	1
439217	Rotatable_Bond_Count	3
153127831	Isotope_Atom_Count	0
55482	Structure_Complexity	593
565843	Covalent_Unit_Count	1
54746485	Total_Formal_Charge	0
82839	Structure_Complexity	18.3
535824	Rotatable_Bond_Count	0
7642	TPSA	52.6
870718	XLogP3-AA	1.4
21942786	Undefined_Bond_Stereo_Count	0
637794	Non-hydrogen_Atom_Count	12
57404185	Covalent_Unit_Count	2
91181590	Exact_Mass	303.14705815
11116575	Covalent_Unit_Count	1
15765799	Exact_Mass	110.036779430
72172	Total_Formal_Charge	0
1490	XLogP3	3.9
4476692	Undefined_Atom_Stereo_Count	3
30493	Total_Formal_Charge	0
629365	Total_Formal_Charge	0
8920	Mono_Isotopic_Weight	185.214349865
88666	TPSA	35.2
153254665	XLogP3-AA	1.4
21075	Isotope_Atom_Count	0
17764882	Undefined_Bond_Stereo_Count	0
58054368	Rotatable_Bond_Count	9
60924	Undefined_Atom_Stereo_Count	0
6591	Structure_Complexity	26.5
522062	Total_Formal_Charge	0
2578	Undefined_Bond_Stereo_Count	0
135413504	Total_Formal_Charge	0
9933475	Structure_Complexity	625
83064	Exact_Mass	318.09508215
413728	Mono_Isotopic_Weight	478.322223289
13049377	Exact_Mass	114.068079557
2482	Molecular_Weight	193.24
18867	Molecular_Weight	224.26
3032854	Defined_Bond_Stereo_Count	0
19782023	Covalent_Unit_Count	1
3876660	Defined_Bond_Stereo_Count	0
6603901	Defined_Atom_Stereo_Count	0
14222	Total_Formal_Charge	0
53627718	Exact_Mass	109.089149355
57445155	Covalent_Unit_Count	1
37541	Undefined_Bond_Stereo_Count	0
91694113	Structure_Complexity	298
7211	Undefined_Atom_Stereo_Count	2
131982921	Hydrogen_Bond_Acceptor_Count	2
5289382	Covalent_Unit_Count	1
618	TPSA	168
23669238	Mono_Isotopic_Weight	537.8933753
51933	Isotope_Atom_Count	0
5142487	Rotatable_Bond_Count	2
5464253	Molecular_Weight	357.35
16957	Molecular_Weight	406.5
6917868	Undefined_Atom_Stereo_Count	0
90825254	Non-hydrogen_Atom_Count	25
70662473	Hydrogen_Bond_Donor_Count	1
497380	Structure_Complexity	639
426756	Hydrogen_Bond_Donor_Count	4
65595	Hydrogen_Bond_Donor_Count	1
78739	Hydrogen_Bond_Acceptor_Count	2
4761	Undefined_Atom_Stereo_Count	1
5391	Undefined_Atom_Stereo_Count	1
168884	Exact_Mass	471.16343
87724106	Defined_Bond_Stereo_Count	0
192160	Undefined_Bond_Stereo_Count	0
11313946	TPSA	125
145567316	Hydrogen_Bond_Donor_Count	1
71359012	Exact_Mass	110.073164938
6328657	Undefined_Bond_Stereo_Count	0
703128	Exact_Mass	287.15214353
9818024	Non-hydrogen_Atom_Count	22
11688573	Undefined_Atom_Stereo_Count	0
74320	Rotatable_Bond_Count	2
12936856	Non-hydrogen_Atom_Count	7
31497	Non-hydrogen_Atom_Count	17
12251749	Structure_Complexity	92.5
6994279	Molecular_Weight	106.12
3634	Molecular_Weight	356.5
15657909	Total_Formal_Charge	0
3734343	TPSA	90.7
91754	Rotatable_Bond_Count	5
57390868	Total_Formal_Charge	0
16097729	TPSA	235
85531465	XLogP3-AA	0.1
6451450	Mono_Isotopic_Weight	114.068079557
2933256	Defined_Bond_Stereo_Count	0
12444299	Defined_Bond_Stereo_Count	0
8363	Undefined_Atom_Stereo_Count	0
101938021	Defined_Bond_Stereo_Count	0
131770024	Undefined_Bond_Stereo_Count	0
14639247	Undefined_Atom_Stereo_Count	1
9430	Mono_Isotopic_Weight	226.146998583
11108856	XLogP3-AA	2.5
71311382	Total_Formal_Charge	0
25203302	Covalent_Unit_Count	1
105130	Rotatable_Bond_Count	0
91133104	Defined_Atom_Stereo_Count	0
54767229	Tautomer_Count	1
70034662	Total_Formal_Charge	0
6708701	Defined_Atom_Stereo_Count	2
64627	Structure_Complexity	609
22166430	Undefined_Atom_Stereo_Count	0
123659755	Isotope_Atom_Count	0
317	Rotatable_Bond_Count	18
4744464	Isotope_Atom_Count	0
53683458	Covalent_Unit_Count	1
5461056	Undefined_Atom_Stereo_Count	1
29971	Structure_Complexity	62.7
3790357	Rotatable_Bond_Count	1
398721	Non-hydrogen_Atom_Count	20
704233	Isotope_Atom_Count	0
134070	Structure_Complexity	688
30291	Molecular_Weight	278.39
130918	Defined_Atom_Stereo_Count	0
10680	Molecular_Weight	222.24
11633904	Exact_Mass	456.21614077
755071	TPSA	41.9
3083868	Tautomer_Count	1
10104005	TPSA	38.4
3074827	Undefined_Atom_Stereo_Count	0
6918524	Molecular_Weight	269.73
244809	Undefined_Bond_Stereo_Count	0
71485	Undefined_Bond_Stereo_Count	0
154701841	Hydrogen_Bond_Acceptor_Count	1
91591	Exact_Mass	143.0137915
135402009	Defined_Atom_Stereo_Count	0
91986	Mono_Isotopic_Weight	187.9795702
114834	Hydrogen_Bond_Donor_Count	0
7372	Hydrogen_Bond_Acceptor_Count	0
23713799	Total_Formal_Charge	0
22960	Isotope_Atom_Count	0
448925	Hydrogen_Bond_Donor_Count	8
58881	TPSA	49.8
12546246	Rotatable_Bond_Count	1
20055482	Undefined_Atom_Stereo_Count	0
6919170	Mono_Isotopic_Weight	329.16875960
23158752	Undefined_Bond_Stereo_Count	0
969152	Hydrogen_Bond_Donor_Count	1
90488914	Rotatable_Bond_Count	6
12312963	Undefined_Atom_Stereo_Count	0
9935274	Total_Formal_Charge	0
239041	Rotatable_Bond_Count	0
6889	Exact_Mass	224.94254
587128	Exact_Mass	168.0341926
78035	Mono_Isotopic_Weight	83.048347172
54250649	Exact_Mass	111.068413911
10775	Hydrogen_Bond_Acceptor_Count	4
640753	Structure_Complexity	142
16574	Structure_Complexity	662
54130	Mono_Isotopic_Weight	260.152477885
91280177	Mono_Isotopic_Weight	110.109550447
2724682	Isotope_Atom_Count	0
5702011	Exact_Mass	405.16099414
64953	Hydrogen_Bond_Acceptor_Count	9
62234773	Total_Formal_Charge	0
22206	XLogP3	3.1
124246	Undefined_Bond_Stereo_Count	0
3921152	Defined_Atom_Stereo_Count	0
11729	Defined_Atom_Stereo_Count	0
7040	Non-hydrogen_Atom_Count	13
12873460	Isotope_Atom_Count	0
587322	Exact_Mass	419.972292
504571	Hydrogen_Bond_Donor_Count	1
124328800	Covalent_Unit_Count	1
6603822	Exact_Mass	301.298079487
154562176	Total_Formal_Charge	0
13642201	Hydrogen_Bond_Donor_Count	1
18529	Total_Formal_Charge	0
54605730	Undefined_Atom_Stereo_Count	1
129645691	Covalent_Unit_Count	2
93192	TPSA	49.3
53323739	Isotope_Atom_Count	0
84647682	Undefined_Atom_Stereo_Count	3
11338033	Defined_Atom_Stereo_Count	0
1783	Undefined_Atom_Stereo_Count	0
86278362	Undefined_Atom_Stereo_Count	0
5113032	Undefined_Atom_Stereo_Count	1
23695767	Molecular_Weight	372.3
16732168	Structure_Complexity	774
68901	XLogP3-AA	0.6
90532	Covalent_Unit_Count	1
9230	Molecular_Weight	117.15
36688155	TPSA	162
14088498	Structure_Complexity	122
10772	Defined_Atom_Stereo_Count	0
135410875	Exact_Mass	427.14918341
22020033	XLogP3-AA	0.6
6637	Covalent_Unit_Count	1
6925	Covalent_Unit_Count	1
8369	Exact_Mass	126.031694049
83242	XLogP3	2.4
21823262	Covalent_Unit_Count	1
256591	TPSA	26.3
19935381	Undefined_Bond_Stereo_Count	0
5460094	Total_Formal_Charge	0
50385	Hydrogen_Bond_Acceptor_Count	5
444254	Rotatable_Bond_Count	9
6992099	Undefined_Bond_Stereo_Count	0
10334852	Exact_Mass	298.09872823
8217	Undefined_Bond_Stereo_Count	0
15008962	Tautomer_Count	1
43234	Hydrogen_Bond_Donor_Count	0
12573	XLogP3-AA	3.1
69676	XLogP3	2.9
155465	Undefined_Bond_Stereo_Count	0
60857	Defined_Atom_Stereo_Count	1
12959090	Molecular_Weight	85.10
5488548	Hydrogen_Bond_Donor_Count	3
118328333	Undefined_Atom_Stereo_Count	0
59703148	Rotatable_Bond_Count	1
95512	Hydrogen_Bond_Acceptor_Count	1
12268623	Defined_Atom_Stereo_Count	0
524213	Defined_Bond_Stereo_Count	0
66793	XLogP3	1.9
77408	Exact_Mass	152.120115130
39184	Undefined_Atom_Stereo_Count	0
14660779	Isotope_Atom_Count	0
521280	Tautomer_Count	1
53835225	Non-hydrogen_Atom_Count	7
612687	Hydrogen_Bond_Acceptor_Count	4
12068306	Defined_Bond_Stereo_Count	0
6430518	Covalent_Unit_Count	1
133914	Rotatable_Bond_Count	27
10500527	Mono_Isotopic_Weight	389.05447821
9577272	Molecular_Weight	221.30
135398515	Isotope_Atom_Count	0
632835	XLogP3-AA	2.7
4403	Total_Formal_Charge	0
15456	Non-hydrogen_Atom_Count	18
71308755	Defined_Bond_Stereo_Count	5
17179	Mono_Isotopic_Weight	332.1583747
4912	TPSA	91.1
6433266	Structure_Complexity	343
809629	Defined_Bond_Stereo_Count	0
4567	Hydrogen_Bond_Donor_Count	3
91971505	Hydrogen_Bond_Acceptor_Count	14
111037	Tautomer_Count	1
290807	Defined_Bond_Stereo_Count	0
5479527	Defined_Bond_Stereo_Count	1
74208	Undefined_Atom_Stereo_Count	0
10390836	Defined_Atom_Stereo_Count	0
17174	Defined_Bond_Stereo_Count	0
199539	Defined_Bond_Stereo_Count	0
15301053	Structure_Complexity	489
251910	Hydrogen_Bond_Acceptor_Count	4
16989	Total_Formal_Charge	0
10369242	Molecular_Weight	515.5
90579	XLogP3	1.5
2312	Undefined_Atom_Stereo_Count	0
44565777	Exact_Mass	262.15420922
87653	Defined_Atom_Stereo_Count	0
20387241	Defined_Atom_Stereo_Count	0
70678541	Rotatable_Bond_Count	17
10008	Structure_Complexity	46.1
143342009	Structure_Complexity	115
11268547	XLogP3-AA	3.4
72074	Molecular_Weight	296.33
42574	Tautomer_Count	79
21864093	TPSA	69.4
18142	TPSA	35.5
5280445	Undefined_Atom_Stereo_Count	0
234839	Isotope_Atom_Count	0
3587356	Structure_Complexity	61
53476	Molecular_Weight	251.06
5651	Structure_Complexity	2960
10472	Tautomer_Count	1
84986	Mono_Isotopic_Weight	210.0798001
19086	Non-hydrogen_Atom_Count	21
65647	Molecular_Weight	487.4
561861	Hydrogen_Bond_Donor_Count	1
13216994	Defined_Bond_Stereo_Count	0
3980	Structure_Complexity	1750
5610	Hydrogen_Bond_Donor_Count	2
6539028	Hydrogen_Bond_Donor_Count	2
76449347	Hydrogen_Bond_Donor_Count	3
53952576	Exact_Mass	96.093900383
12885796	Defined_Atom_Stereo_Count	0
14670	Hydrogen_Bond_Acceptor_Count	4
673664	Isotope_Atom_Count	0
70700	Undefined_Atom_Stereo_Count	0
23957	Mono_Isotopic_Weight	96.90636
5315659	Non-hydrogen_Atom_Count	23
163751	Defined_Bond_Stereo_Count	0
12181	Structure_Complexity	84.1
131954782	Total_Formal_Charge	0
65872	Defined_Atom_Stereo_Count	2
107977	Undefined_Atom_Stereo_Count	1
4669250	Tautomer_Count	5
164563	Non-hydrogen_Atom_Count	17
60753	XLogP3-AA	4
20194949	Undefined_Bond_Stereo_Count	0
5721	Non-hydrogen_Atom_Count	23
55250378	Rotatable_Bond_Count	0
31703	Covalent_Unit_Count	1
1638753	Molecular_Weight	180.23
30360	XLogP3	1.5
673664	XLogP3-AA	0.6
704481	Defined_Atom_Stereo_Count	2
5280343	Hydrogen_Bond_Donor_Count	5
5281004	TPSA	93.1
56672298	Structure_Complexity	680
254139	Undefined_Bond_Stereo_Count	0
671175	Hydrogen_Bond_Acceptor_Count	4
139444	Hydrogen_Bond_Acceptor_Count	0
579	TPSA	209
32816	XLogP3	3.2
4302960	Hydrogen_Bond_Acceptor_Count	5
66950	Defined_Atom_Stereo_Count	0
92703	Isotope_Atom_Count	0
6918203	Rotatable_Bond_Count	3
2762921	Total_Formal_Charge	0
57395974	Exact_Mass	442.33077660
9919942	Hydrogen_Bond_Acceptor_Count	19
10636633	Exact_Mass	282.10381361
10517	Rotatable_Bond_Count	9
13748	Defined_Atom_Stereo_Count	0
126514322	Total_Formal_Charge	0
24978538	XLogP3-AA	9.6
117072582	Molecular_Weight	358.5
9831783	Defined_Atom_Stereo_Count	2
6844	Exact_Mass	188.047344113
92043446	Defined_Atom_Stereo_Count	4
11065	Hydrogen_Bond_Donor_Count	1
74348	Non-hydrogen_Atom_Count	9
7764	Covalent_Unit_Count	1
736331	Mono_Isotopic_Weight	221.10519334
11840920	Isotope_Atom_Count	0
56974851	Rotatable_Bond_Count	3
127757	Total_Formal_Charge	0
18879	Defined_Atom_Stereo_Count	3
96568	Structure_Complexity	216
8283	Defined_Atom_Stereo_Count	0
5359853	Covalent_Unit_Count	3
51001299	Mono_Isotopic_Weight	375.15513817
79059	Defined_Atom_Stereo_Count	0
3082393	Structure_Complexity	1250
31877	Molecular_Weight	85.10
59174488	Structure_Complexity	561
6116	Exact_Mass	157.9891995
123630	Total_Formal_Charge	0
70689830	Undefined_Bond_Stereo_Count	0
119072	Defined_Atom_Stereo_Count	2
161760	Defined_Bond_Stereo_Count	0
56845432	Mono_Isotopic_Weight	182.07594159
2921148	Rotatable_Bond_Count	2
97860	Hydrogen_Bond_Acceptor_Count	3
134129858	Undefined_Atom_Stereo_Count	0
53694406	Defined_Bond_Stereo_Count	0
71721420	Non-hydrogen_Atom_Count	8
55300430	Structure_Complexity	155
77946	Total_Formal_Charge	0
24199313	Rotatable_Bond_Count	12
2794666	TPSA	58.6
10138259	Isotope_Atom_Count	0
57780676	Defined_Bond_Stereo_Count	0
11177	Covalent_Unit_Count	3
14022509	Molecular_Weight	233.30
57112474	Covalent_Unit_Count	1
65109	Exact_Mass	691.51520532
72200848	XLogP3-AA	5.6
57082085	Isotope_Atom_Count	0
157692	Defined_Bond_Stereo_Count	0
61370	Defined_Atom_Stereo_Count	0
41881	Non-hydrogen_Atom_Count	30
979	Undefined_Atom_Stereo_Count	0
29510	Non-hydrogen_Atom_Count	11
6180	TPSA	91.7
16047027	Hydrogen_Bond_Donor_Count	5
5582	Non-hydrogen_Atom_Count	27
19063360	Isotope_Atom_Count	0
55255285	Mono_Isotopic_Weight	111.068413911
20633892	Exact_Mass	112.088815002
3086618	Undefined_Atom_Stereo_Count	0
148429079	Hydrogen_Bond_Donor_Count	0
7778	Tautomer_Count	1
9847836	XLogP3-AA	6.3
17424	Tautomer_Count	1
10229498	Hydrogen_Bond_Acceptor_Count	5
154171248	Exact_Mass	97.052763847
5371102	Rotatable_Bond_Count	6
25127621	Molecular_Weight	395.4
126664809	Total_Formal_Charge	0
5459124	Hydrogen_Bond_Donor_Count	1
8667	Defined_Bond_Stereo_Count	0
54296709	Hydrogen_Bond_Acceptor_Count	1
72200674	Covalent_Unit_Count	1
42626680	Exact_Mass	180.06338810
31352	Exact_Mass	254.13655304
154515685	Defined_Atom_Stereo_Count	0
10379137	Exact_Mass	284.11609238
9517	Molecular_Weight	208.25
636523	Non-hydrogen_Atom_Count	16
54758035	Molecular_Weight	490.6
141545	XLogP3-AA	1.4
136120826	Non-hydrogen_Atom_Count	7
23679441	Rotatable_Bond_Count	8
61661	Defined_Bond_Stereo_Count	0
441414	Hydrogen_Bond_Acceptor_Count	9
45086609	TPSA	73.1
96299	Mono_Isotopic_Weight	238.110613074
57396213	Hydrogen_Bond_Donor_Count	2
140607	XLogP3-AA	2.7
143719689	Defined_Atom_Stereo_Count	0
4752	Non-hydrogen_Atom_Count	55
50360	Hydrogen_Bond_Donor_Count	0
53262279	Undefined_Bond_Stereo_Count	0
429342	Structure_Complexity	203
12561970	Total_Formal_Charge	0
5474229	Undefined_Atom_Stereo_Count	19
5288266	Non-hydrogen_Atom_Count	17
31186	Undefined_Atom_Stereo_Count	0
764764	Undefined_Bond_Stereo_Count	0
104933	Isotope_Atom_Count	0
16219471	Rotatable_Bond_Count	2
16976	Mono_Isotopic_Weight	139.026943022
96665	TPSA	54.4
21864369	Tautomer_Count	970
469717	Hydrogen_Bond_Acceptor_Count	4
92416	Isotope_Atom_Count	0
12707110	Rotatable_Bond_Count	0
73797127	Undefined_Bond_Stereo_Count	0
24891699	TPSA	80.2
14577080	Total_Formal_Charge	0
72941969	Molecular_Weight	4610
18364965	Defined_Atom_Stereo_Count	0
14379827	Hydrogen_Bond_Donor_Count	1
8590	XLogP3-AA	3.8
320263	Rotatable_Bond_Count	2
86620451	Undefined_Atom_Stereo_Count	0
994360	Mono_Isotopic_Weight	410.13002836
53691700	Mono_Isotopic_Weight	117.078978594
12541	Hydrogen_Bond_Acceptor_Count	5
10975412	Molecular_Weight	97.12
3020188	Tautomer_Count	3
16551	Exact_Mass	154.0316058
479930	Covalent_Unit_Count	1
98500	Structure_Complexity	234
21092	Rotatable_Bond_Count	4
68321854	Isotope_Atom_Count	0
3510	Structure_Complexity	442
25015412	Molecular_Weight	518.6
79123	XLogP3-AA	1.8
47328	Defined_Atom_Stereo_Count	1
62705859	Non-hydrogen_Atom_Count	33
580	Rotatable_Bond_Count	7
6497	Rotatable_Bond_Count	2
12264628	Exact_Mass	112.052429494
65432	Defined_Atom_Stereo_Count	0
9877608	Total_Formal_Charge	0
12559	Hydrogen_Bond_Donor_Count	6
472812	Exact_Mass	243.0523023
2170	Rotatable_Bond_Count	1
21914607	Undefined_Atom_Stereo_Count	2
5727	Defined_Bond_Stereo_Count	0
18278	Hydrogen_Bond_Donor_Count	4
12648672	Molecular_Weight	102.13
86592	TPSA	17.1
4456484	Exact_Mass	634.11920615
20626690	Hydrogen_Bond_Donor_Count	1
20137	Hydrogen_Bond_Donor_Count	1
6619	XLogP3-AA	6.5
13329881	Exact_Mass	103.063328530
140996483	Undefined_Atom_Stereo_Count	1
447180	Covalent_Unit_Count	1
65565	Defined_Atom_Stereo_Count	0
14143095	Molecular_Weight	116.11
14543958	Isotope_Atom_Count	0
3628	Total_Formal_Charge	0
5282182	Isotope_Atom_Count	0
68492470	Total_Formal_Charge	0
90472762	Isotope_Atom_Count	2
65914	Total_Formal_Charge	0
65600	Mono_Isotopic_Weight	293.177964357
6266	Covalent_Unit_Count	1
16211197	Exact_Mass	150.06405680
2733294	Hydrogen_Bond_Donor_Count	0
9657	Undefined_Atom_Stereo_Count	1
12732836	Rotatable_Bond_Count	1
127036660	Undefined_Atom_Stereo_Count	0
89268685	XLogP3-AA	0.3
520682	Rotatable_Bond_Count	2
160	TPSA	98
13912815	Hydrogen_Bond_Donor_Count	2
2724159	Mono_Isotopic_Weight	150.104465066
139405	XLogP3-AA	0.8
10176672	Total_Formal_Charge	0
11159325	Defined_Atom_Stereo_Count	0
11531460	Hydrogen_Bond_Acceptor_Count	4
35969	TPSA	154
25168854	Mono_Isotopic_Weight	253.02146
60196431	Total_Formal_Charge	0
700865	Hydrogen_Bond_Donor_Count	0
11197931	Isotope_Atom_Count	0
129720364	Hydrogen_Bond_Donor_Count	3
53718834	Undefined_Atom_Stereo_Count	1
5281520	Hydrogen_Bond_Donor_Count	0
54712148	Molecular_Weight	429.5
155903675	Total_Formal_Charge	0
3084101	Mono_Isotopic_Weight	309.714777
851990	Undefined_Atom_Stereo_Count	0
18398	Covalent_Unit_Count	1
83976	Exact_Mass	908.4471039
89053264	Non-hydrogen_Atom_Count	8
14315	TPSA	0
9002	Hydrogen_Bond_Donor_Count	4
5367222	Isotope_Atom_Count	0
8084	Defined_Bond_Stereo_Count	0
11554076	Hydrogen_Bond_Donor_Count	1
469	Defined_Atom_Stereo_Count	0
163090691	Hydrogen_Bond_Donor_Count	4
7172302	Undefined_Bond_Stereo_Count	0
19202	Undefined_Atom_Stereo_Count	0
5498	Defined_Atom_Stereo_Count	0
11949285	XLogP3	3.4
431630	Molecular_Weight	100.12
22181493	Exact_Mass	96.068748264
46225290	Rotatable_Bond_Count	4
9960287	Covalent_Unit_Count	2
141959525	Structure_Complexity	86.2
550030	XLogP3-AA	1.8
18002315	Structure_Complexity	113
40466884	Hydrogen_Bond_Donor_Count	2
11228183	Molecular_Weight	813.4
69232870	Non-hydrogen_Atom_Count	8
946	Covalent_Unit_Count	1
123133871	XLogP3	0.9
103656	Defined_Atom_Stereo_Count	0
83287	XLogP3-AA	3.6
247673	Molecular_Weight	545.5
19908673	Undefined_Bond_Stereo_Count	0
12200	Structure_Complexity	141
53682689	Undefined_Atom_Stereo_Count	2
10373	Molecular_Weight	247.33
154417	XLogP3	1.8
8221	Total_Formal_Charge	0
10683	Isotope_Atom_Count	0
527511	TPSA	4.9
62118	Defined_Atom_Stereo_Count	0
123558404	Hydrogen_Bond_Donor_Count	0
12532	Rotatable_Bond_Count	15
107697	Undefined_Bond_Stereo_Count	0
12695795	Defined_Atom_Stereo_Count	0
6604189	Exact_Mass	556.39885615
58375	Covalent_Unit_Count	1
1241420	Mono_Isotopic_Weight	173.10519334
30108	Molecular_Weight	233.26
126961564	Covalent_Unit_Count	1
8581	Mono_Isotopic_Weight	665.15868546
23072212	Covalent_Unit_Count	1
53920622	Defined_Bond_Stereo_Count	0
95285	Tautomer_Count	4
81141	XLogP3	2.2
6051	Hydrogen_Bond_Donor_Count	1
17898	Mono_Isotopic_Weight	124.063662883
28780	Tautomer_Count	6
129866430	Structure_Complexity	208
161588	Rotatable_Bond_Count	3
99816	Total_Formal_Charge	0
1235	Defined_Bond_Stereo_Count	0
87348	Mono_Isotopic_Weight	332.10840961
20587905	Covalent_Unit_Count	2
10813969	Defined_Bond_Stereo_Count	0
15670683	Undefined_Bond_Stereo_Count	0
152997633	Undefined_Atom_Stereo_Count	0
25019940	Isotope_Atom_Count	0
25246317	Exact_Mass	1092.64306214
69188	Undefined_Bond_Stereo_Count	0
9604654	XLogP3-AA	1.1
119435	Defined_Bond_Stereo_Count	0
15652148	Isotope_Atom_Count	0
3804841	Isotope_Atom_Count	0
154825229	Molecular_Weight	218.33
24776154	TPSA	82.6
3777	Undefined_Bond_Stereo_Count	1
291703	Defined_Bond_Stereo_Count	0
93285	Defined_Bond_Stereo_Count	0
81129	Molecular_Weight	185.02
45380791	TPSA	85.6
111290	Isotope_Atom_Count	0
57396625	TPSA	48.4
134694983	Exact_Mass	805.56637496
3730	Non-hydrogen_Atom_Count	34
10749156	Molecular_Weight	113.16
137699107	Structure_Complexity	329
4280	Mono_Isotopic_Weight	289.06200837
24233	Defined_Bond_Stereo_Count	0
44571868	Mono_Isotopic_Weight	403.18959167
49858377	Structure_Complexity	566
22094758	Exact_Mass	112.052429494
132274874	Total_Formal_Charge	0
54682938	Hydrogen_Bond_Donor_Count	6
317681	XLogP3-AA	1.5
16994	Exact_Mass	208.12283153
19065601	Molecular_Weight	248.17
72076	Isotope_Atom_Count	0
12740469	Molecular_Weight	114.14
292146	Total_Formal_Charge	0
12743036	Defined_Bond_Stereo_Count	0
51577	Mono_Isotopic_Weight	207.11067264
71145	Defined_Bond_Stereo_Count	0
27924	Hydrogen_Bond_Acceptor_Count	8
636857	Exact_Mass	479.24202116
8508	Isotope_Atom_Count	0
54372438	Molecular_Weight	100.12
91884755	Defined_Atom_Stereo_Count	5
8475	Undefined_Bond_Stereo_Count	0
13401682	TPSA	33
45358975	TPSA	7.8
1125887	Molecular_Weight	419.3
3769881	Hydrogen_Bond_Donor_Count	1
35489	Structure_Complexity	384
65701	Exact_Mass	295.204847810
10028615	Mono_Isotopic_Weight	492.24243570
69408	TPSA	35.5
5373603	XLogP3-AA	2.6
131954609	Hydrogen_Bond_Donor_Count	3
512138	Hydrogen_Bond_Donor_Count	3
59185552	Total_Formal_Charge	0
3081386	Mono_Isotopic_Weight	679.08627911
21345781	Non-hydrogen_Atom_Count	6
431631	Tautomer_Count	1
62753	XLogP3-AA	10.6
10569	TPSA	37.3
101175466	Total_Formal_Charge	2
11661758	Non-hydrogen_Atom_Count	27
1356	TPSA	147
34768	Undefined_Atom_Stereo_Count	0
4623	Total_Formal_Charge	0
675	Non-hydrogen_Atom_Count	11
9538	Mono_Isotopic_Weight	174.141993387
70690618	XLogP3-AA	3.8
57029485	XLogP3-AA	1.1
57078122	Defined_Bond_Stereo_Count	0
86018330	TPSA	0
6169	Mono_Isotopic_Weight	390.1710204
170297	Structure_Complexity	48.9
82400	Rotatable_Bond_Count	5
57396625	Defined_Atom_Stereo_Count	0
2779031	Hydrogen_Bond_Donor_Count	1
9831652	Defined_Bond_Stereo_Count	0
54712667	Undefined_Atom_Stereo_Count	0
15383909	Defined_Atom_Stereo_Count	14
706	Defined_Bond_Stereo_Count	0
122152	Exact_Mass	581.07329
16208013	Defined_Bond_Stereo_Count	0
23063442	Defined_Atom_Stereo_Count	0
75092	XLogP3	1.5
40467849	Rotatable_Bond_Count	1
101731271	Exact_Mass	97.089149355
10114130	Molecular_Weight	439.8
12313170	TPSA	158
4587	Hydrogen_Bond_Donor_Count	3
92180	Structure_Complexity	236
55290587	XLogP3-AA	0.6
90452	Isotope_Atom_Count	0
623	Exact_Mass	387.02326768
231360	Structure_Complexity	81.8
50878597	Hydrogen_Bond_Acceptor_Count	3
57450901	Exact_Mass	114.104465066
86811394	Defined_Bond_Stereo_Count	0
23667299	Hydrogen_Bond_Donor_Count	3
3048	Total_Formal_Charge	0
55223	Total_Formal_Charge	0
42552697	Isotope_Atom_Count	0
52731	Rotatable_Bond_Count	8
158797	Rotatable_Bond_Count	7
23260879	Molecular_Weight	106.09
76156	Undefined_Bond_Stereo_Count	0
12302681	Molecular_Weight	342.30
72026	Defined_Atom_Stereo_Count	0
10059810	Hydrogen_Bond_Donor_Count	3
90441318	Covalent_Unit_Count	1
7301	Isotope_Atom_Count	0
21879777	XLogP3-AA	1.1
97597	Structure_Complexity	585
45085029	Defined_Atom_Stereo_Count	0
2322334	Total_Formal_Charge	0
24848402	Isotope_Atom_Count	0
19957820	XLogP3-AA	0.8
163940225	Non-hydrogen_Atom_Count	8
15309593	Mono_Isotopic_Weight	216.089877630
136709	Hydrogen_Bond_Acceptor_Count	0
13652	TPSA	0
9961192	Hydrogen_Bond_Acceptor_Count	9
4382	Hydrogen_Bond_Acceptor_Count	3
13531445	Undefined_Bond_Stereo_Count	0
53304446	Undefined_Atom_Stereo_Count	0
3436	Defined_Bond_Stereo_Count	0
58737	Hydrogen_Bond_Acceptor_Count	2
92381	Tautomer_Count	1
8878	Structure_Complexity	130
71392	Undefined_Bond_Stereo_Count	0
443013	XLogP3	2
24482	Defined_Atom_Stereo_Count	0
196129	Undefined_Bond_Stereo_Count	0
57625	Undefined_Bond_Stereo_Count	0
11519741	Hydrogen_Bond_Acceptor_Count	7
19044091	Non-hydrogen_Atom_Count	7
160617	Isotope_Atom_Count	0
556	Covalent_Unit_Count	1
55288485	Non-hydrogen_Atom_Count	8
5543	Non-hydrogen_Atom_Count	16
6788	Defined_Bond_Stereo_Count	0
14523483	Structure_Complexity	374
46911863	Molecular_Weight	377.3
3827	TPSA	48.6
5254725	XLogP3-AA	1.9
71072034	XLogP3-AA	3.8
10434211	Covalent_Unit_Count	1
14143179	XLogP3-AA	0.5
79161	TPSA	0
49858374	Defined_Atom_Stereo_Count	0
521348	Structure_Complexity	47.8
441245	Structure_Complexity	197
156618103	Hydrogen_Bond_Donor_Count	8
60196346	Structure_Complexity	952
138394518	Exact_Mass	1388.93119660
5715107	Mono_Isotopic_Weight	186.079312947
3420996	Exact_Mass	184.182715385
227927	Undefined_Bond_Stereo_Count	0
57674785	Covalent_Unit_Count	1
32	Undefined_Bond_Stereo_Count	1
108938	Total_Formal_Charge	0
62705860	Hydrogen_Bond_Acceptor_Count	8
65228	Molecular_Weight	495.0
439210	Exact_Mass	211.953380
96490	Defined_Atom_Stereo_Count	0
76579279	TPSA	40.5
60967	Covalent_Unit_Count	1
94153	Defined_Bond_Stereo_Count	0
51762	Defined_Atom_Stereo_Count	0
989	Undefined_Bond_Stereo_Count	0
12836760	Hydrogen_Bond_Acceptor_Count	3
24820357	Total_Formal_Charge	0
658	Isotope_Atom_Count	0
14307	Non-hydrogen_Atom_Count	11
7397	Structure_Complexity	209
23551	Mono_Isotopic_Weight	290.199428076
81426	Undefined_Bond_Stereo_Count	0
6507255	Undefined_Bond_Stereo_Count	0
2315	Defined_Bond_Stereo_Count	0
1548971	Exact_Mass	410.17676144
10482134	XLogP3-AA	6.7
12462027	XLogP3-AA	1
9905875	Mono_Isotopic_Weight	338.11879497
92761	TPSA	51.2
10301885	Non-hydrogen_Atom_Count	37
53326156	Covalent_Unit_Count	1
2461	Covalent_Unit_Count	1
51299	XLogP3	1.9
1549520	Mono_Isotopic_Weight	163.063328530
28048	TPSA	18.5
22084396	Defined_Bond_Stereo_Count	0
71622385	Defined_Atom_Stereo_Count	0
11837140	XLogP3-AA	1.9
133633	Molecular_Weight	340.8
24916897	Molecular_Weight	508.7
449169	Hydrogen_Bond_Donor_Count	2
49968	Defined_Atom_Stereo_Count	0
3766139	Rotatable_Bond_Count	8
73267	Defined_Bond_Stereo_Count	0
5282768	TPSA	37.3
909860	Covalent_Unit_Count	1
55652	Mono_Isotopic_Weight	424.1684336
71401	Isotope_Atom_Count	0
12543	Rotatable_Bond_Count	2
22313123	Total_Formal_Charge	0
17954	Total_Formal_Charge	0
6999977	Covalent_Unit_Count	1
138062	TPSA	0
29327	Mono_Isotopic_Weight	265.09099983
13521790	Mono_Isotopic_Weight	116.083729621
141300213	Covalent_Unit_Count	1
118994155	Mono_Isotopic_Weight	109.052763847
129655960	Hydrogen_Bond_Donor_Count	2
5361090	Hydrogen_Bond_Acceptor_Count	3
11415	Covalent_Unit_Count	1
36218	Isotope_Atom_Count	0
101584	Non-hydrogen_Atom_Count	30
21984	Defined_Bond_Stereo_Count	0
95269	TPSA	38.7
21162823	Hydrogen_Bond_Donor_Count	2
64212	Rotatable_Bond_Count	3
107767	Tautomer_Count	1
76	Structure_Complexity	508
131801303	Exact_Mass	1220.61898316
4630	XLogP3-AA	0.4
225	Hydrogen_Bond_Acceptor_Count	2
5364920	Undefined_Bond_Stereo_Count	0
5281794	Defined_Atom_Stereo_Count	0
3413420	Covalent_Unit_Count	1
60822	Tautomer_Count	3
156615632	Hydrogen_Bond_Donor_Count	8
71456725	Total_Formal_Charge	0
139088080	Mono_Isotopic_Weight	343.02079
13804427	Structure_Complexity	91.9
69272932	Isotope_Atom_Count	0
14866914	Non-hydrogen_Atom_Count	7
129652979	Defined_Atom_Stereo_Count	0
74208	Hydrogen_Bond_Acceptor_Count	2
72886	Molecular_Weight	169.16
97736001	Undefined_Atom_Stereo_Count	0
89512548	Total_Formal_Charge	0
44407	Exact_Mass	345.03644
14256301	Hydrogen_Bond_Acceptor_Count	3
11398092	Non-hydrogen_Atom_Count	35
668508	Undefined_Bond_Stereo_Count	1
18615	Structure_Complexity	62.7
3074827	Non-hydrogen_Atom_Count	18
60021	Hydrogen_Bond_Acceptor_Count	9
18923030	Total_Formal_Charge	0
9833407	Isotope_Atom_Count	0
137347969	Defined_Bond_Stereo_Count	0
24812721	Rotatable_Bond_Count	6
14919832	Total_Formal_Charge	0
11693901	Defined_Bond_Stereo_Count	0
5281120	Total_Formal_Charge	0
22380788	Exact_Mass	111.032028402
57493771	Structure_Complexity	275
14351762	Defined_Atom_Stereo_Count	0
9871	Hydrogen_Bond_Acceptor_Count	4
48920	Exact_Mass	283.157228913
80519	Rotatable_Bond_Count	1
14833	Molecular_Weight	159.69
9421	Defined_Bond_Stereo_Count	0
1095	Rotatable_Bond_Count	3
44430374	Structure_Complexity	424
139375	Defined_Atom_Stereo_Count	0
20323899	Defined_Atom_Stereo_Count	0
398596	Non-hydrogen_Atom_Count	17
656575	Covalent_Unit_Count	1
10329124	Covalent_Unit_Count	1
5333	Hydrogen_Bond_Donor_Count	2
9892815	Hydrogen_Bond_Donor_Count	2
13207481	Mono_Isotopic_Weight	117.078978594
5284361	Defined_Bond_Stereo_Count	0
139064747	Hydrogen_Bond_Acceptor_Count	4
62964	TPSA	112
44339779	Total_Formal_Charge	0
104748	Structure_Complexity	24.8
1335	Hydrogen_Bond_Donor_Count	4
778	Isotope_Atom_Count	0
92943	Isotope_Atom_Count	0
16170150	XLogP3-AA	10.7
159027	Molecular_Weight	127.18
71577	Total_Formal_Charge	0
47118	TPSA	0
135413554	Mono_Isotopic_Weight	266.0570533
12285869	Exact_Mass	180.06338810
71751164	Isotope_Atom_Count	0
470375	Mono_Isotopic_Weight	428.00886708
161500	Hydrogen_Bond_Acceptor_Count	9
68494	Mono_Isotopic_Weight	286.05897142
15174589	Defined_Bond_Stereo_Count	0
24386	Covalent_Unit_Count	1
16760595	Undefined_Atom_Stereo_Count	0
91822	Exact_Mass	235.2066777
13479278	Hydrogen_Bond_Acceptor_Count	1
7058062	Total_Formal_Charge	0
71433133	Rotatable_Bond_Count	0
11979741	Molecular_Weight	1448.7
24899382	Defined_Atom_Stereo_Count	3
77720	Covalent_Unit_Count	1
13924394	Defined_Atom_Stereo_Count	0
26514	Hydrogen_Bond_Acceptor_Count	2
129211	Undefined_Atom_Stereo_Count	0
57394609	Non-hydrogen_Atom_Count	30
24958200	Total_Formal_Charge	0
7660	Covalent_Unit_Count	1
137808	Hydrogen_Bond_Acceptor_Count	1
305444	Undefined_Bond_Stereo_Count	0
6323491	Molecular_Weight	364.8
129826870	Hydrogen_Bond_Donor_Count	0
17754178	Non-hydrogen_Atom_Count	10
16718576	Covalent_Unit_Count	1
11443	Exact_Mass	174.042927438
99143	Hydrogen_Bond_Donor_Count	2
15633846	Undefined_Atom_Stereo_Count	1
594510	Exact_Mass	349.0861010
2723951	Defined_Atom_Stereo_Count	0
147707445	Structure_Complexity	382
135598760	Hydrogen_Bond_Donor_Count	2
163900	Molecular_Weight	132.16
166775	Hydrogen_Bond_Donor_Count	14
13932052	Rotatable_Bond_Count	1
86356	Isotope_Atom_Count	0
22137184	Mono_Isotopic_Weight	98.073164938
19965	Mono_Isotopic_Weight	96.093900383
708614	Total_Formal_Charge	0
37968	Defined_Atom_Stereo_Count	2
16759993	Rotatable_Bond_Count	4
3037565	Hydrogen_Bond_Donor_Count	3
76714	XLogP3-AA	1
6473973	Undefined_Atom_Stereo_Count	2
144369145	Hydrogen_Bond_Acceptor_Count	2
11850983	Molecular_Weight	291.5
2683	Undefined_Atom_Stereo_Count	0
9964188	Total_Formal_Charge	0
135565082	Isotope_Atom_Count	0
2808988	Exact_Mass	311.12699141
16741878	Exact_Mass	603.32839138
4868	Defined_Bond_Stereo_Count	0
89200515	Defined_Atom_Stereo_Count	3
16220118	Isotope_Atom_Count	0
20111	Undefined_Atom_Stereo_Count	0
6603	Structure_Complexity	131
49866692	Exact_Mass	293.1294900
46240	Tautomer_Count	1
54003766	Exact_Mass	93.057849228
79964	Defined_Bond_Stereo_Count	0
89225	Undefined_Atom_Stereo_Count	1
11446863	Tautomer_Count	2
6602378	Defined_Bond_Stereo_Count	1
4714967	Isotope_Atom_Count	0
34327	Exact_Mass	204.093900383
139079814	Structure_Complexity	253
136589	Hydrogen_Bond_Acceptor_Count	1
541506	Total_Formal_Charge	0
21917310	Undefined_Bond_Stereo_Count	0
23687713	Molecular_Weight	231.20
5795731	Defined_Atom_Stereo_Count	0
157820065	Molecular_Weight	284.35
12074364	Defined_Atom_Stereo_Count	0
2546	Undefined_Atom_Stereo_Count	2
24748573	Non-hydrogen_Atom_Count	25
447048	Hydrogen_Bond_Acceptor_Count	18
57403154	Hydrogen_Bond_Donor_Count	4
46173017	Defined_Atom_Stereo_Count	0
66673773	Rotatable_Bond_Count	0
23519822	TPSA	151
59496876	Rotatable_Bond_Count	1
2486	Defined_Atom_Stereo_Count	0
90478690	Hydrogen_Bond_Donor_Count	10
47567	Defined_Bond_Stereo_Count	0
75472	Mono_Isotopic_Weight	171.162314293
3676	Rotatable_Bond_Count	5
65331	TPSA	475
5526	Molecular_Weight	157.21
88114173	Total_Formal_Charge	0
5370664	Total_Formal_Charge	0
60069415	Non-hydrogen_Atom_Count	8
2451	Isotope_Atom_Count	0
15739357	Hydrogen_Bond_Donor_Count	0
7746	Rotatable_Bond_Count	2
23566493	Total_Formal_Charge	0
3062	Mono_Isotopic_Weight	780.42960671
87187801	TPSA	9.2
6434185	Isotope_Atom_Count	0
9854012	Exact_Mass	774.9483145
6518	Structure_Complexity	311
13050985	Undefined_Atom_Stereo_Count	1
1236	Non-hydrogen_Atom_Count	45
601880	XLogP3	1.8
2866	Isotope_Atom_Count	0
21417010	Hydrogen_Bond_Donor_Count	4
963264	Total_Formal_Charge	0
91683	Rotatable_Bond_Count	3
14663555	Defined_Atom_Stereo_Count	0
107377	TPSA	46.5
539001	TPSA	17.1
67382752	Total_Formal_Charge	0
71674	Molecular_Weight	1404.2
7156899	Exact_Mass	342.11621151
16050834	Hydrogen_Bond_Donor_Count	1
119307	Exact_Mass	622.44446893
6971	Hydrogen_Bond_Donor_Count	2
12305763	Exact_Mass	418.12638228
67944	Defined_Atom_Stereo_Count	0
25716	Molecular_Weight	460.7
19596	Hydrogen_Bond_Acceptor_Count	7
21359	Tautomer_Count	1
23892	Defined_Bond_Stereo_Count	0
146157727	Total_Formal_Charge	0
71808	Undefined_Atom_Stereo_Count	1
60196304	Undefined_Atom_Stereo_Count	2
16736529	Molecular_Weight	318.76
16726	TPSA	69.7
73306	Defined_Bond_Stereo_Count	0
105427064	Defined_Atom_Stereo_Count	0
3341	Covalent_Unit_Count	1
30971	Undefined_Bond_Stereo_Count	0
1083	Tautomer_Count	4
194791	Non-hydrogen_Atom_Count	55
6921	Undefined_Atom_Stereo_Count	0
54598522	Isotope_Atom_Count	0
10246505	Defined_Atom_Stereo_Count	0
441415	Undefined_Bond_Stereo_Count	0
6712980	Exact_Mass	98.036779430
9885442	Covalent_Unit_Count	1
443130	Structure_Complexity	328
101417707	Molecular_Weight	262.4
53320169	Defined_Bond_Stereo_Count	0
9823302	Isotope_Atom_Count	0
370	Covalent_Unit_Count	1
817096	XLogP3-AA	1.3
375814	Isotope_Atom_Count	0
749560	Non-hydrogen_Atom_Count	21
11018	Non-hydrogen_Atom_Count	25
5363548	Undefined_Bond_Stereo_Count	0
68015385	Defined_Atom_Stereo_Count	4
41575	Defined_Atom_Stereo_Count	0
67811115	Non-hydrogen_Atom_Count	8
135608329	Isotope_Atom_Count	0
257369	Non-hydrogen_Atom_Count	8
13664	TPSA	15.8
76716	Undefined_Bond_Stereo_Count	0
23663959	Isotope_Atom_Count	0
54688694	Structure_Complexity	1010
36084	Structure_Complexity	296
6847	Total_Formal_Charge	0
656981	Covalent_Unit_Count	2
49865732	TPSA	87.9
77014	XLogP3	1.1
60572	Total_Formal_Charge	0
15204529	Structure_Complexity	107
68023775	Hydrogen_Bond_Acceptor_Count	1
12298579	Undefined_Atom_Stereo_Count	0
5916968	Molecular_Weight	557.6
63093	Tautomer_Count	1
646135	Undefined_Bond_Stereo_Count	0
66117	Isotope_Atom_Count	0
10737	TPSA	20.3
7473	Undefined_Bond_Stereo_Count	0
482	Structure_Complexity	824
9885889	Rotatable_Bond_Count	2
10108830	TPSA	91.4
6971007	Total_Formal_Charge	0
8140	Mono_Isotopic_Weight	192.05136
76963786	Molecular_Weight	297.39
5284603	Tautomer_Count	6
14714336	Hydrogen_Bond_Acceptor_Count	1
22164	Molecular_Weight	208.26
54581774	Rotatable_Bond_Count	5
14269	Molecular_Weight	102.13
6426742	Hydrogen_Bond_Acceptor_Count	7
60947	Defined_Bond_Stereo_Count	0
447030	Undefined_Bond_Stereo_Count	0
136430	TPSA	24.1
5463858	Molecular_Weight	303.35
44562	Hydrogen_Bond_Acceptor_Count	3
6672	Isotope_Atom_Count	0
117274708	Molecular_Weight	111.10
826479	Mono_Isotopic_Weight	236.08441558
130145407	Hydrogen_Bond_Donor_Count	1
131751505	Undefined_Bond_Stereo_Count	0
131428459	Rotatable_Bond_Count	1
5281034	Isotope_Atom_Count	0
7213679	XLogP3	2.3
17572160	Total_Formal_Charge	0
72271	Structure_Complexity	935
445248	Undefined_Atom_Stereo_Count	0
20387237	Structure_Complexity	62.6
14388239	Rotatable_Bond_Count	1
213040	Non-hydrogen_Atom_Count	36
14813	Non-hydrogen_Atom_Count	7
3858	Structure_Complexity	231
57397461	Exact_Mass	409.0209280
5460221	Structure_Complexity	228
79059	Defined_Bond_Stereo_Count	0
1488444	Structure_Complexity	519
5289531	Molecular_Weight	612.8
18990949	Exact_Mass	101.047678466
6918222	Undefined_Atom_Stereo_Count	0
16473	Isotope_Atom_Count	0
134825353	Defined_Bond_Stereo_Count	0
53825954	Undefined_Atom_Stereo_Count	0
55287301	TPSA	12
8658	XLogP3	1.7
2994	Rotatable_Bond_Count	11
19027815	Covalent_Unit_Count	1
8282	Hydrogen_Bond_Donor_Count	3
15981386	Undefined_Atom_Stereo_Count	0
14342	Undefined_Bond_Stereo_Count	0
5148195	Non-hydrogen_Atom_Count	12
7579	Total_Formal_Charge	0
83131	Hydrogen_Bond_Donor_Count	2
82982	Molecular_Weight	572.6
123248	Tautomer_Count	3
9579050	Defined_Bond_Stereo_Count	1
595926	Hydrogen_Bond_Acceptor_Count	1
53631403	Covalent_Unit_Count	1
13184286	Defined_Bond_Stereo_Count	0
31251	Tautomer_Count	1
87251056	Covalent_Unit_Count	1
91240511	Structure_Complexity	138
71094775	Undefined_Atom_Stereo_Count	5
54706138	Non-hydrogen_Atom_Count	49
704	Undefined_Atom_Stereo_Count	7
315341	Covalent_Unit_Count	1
2733294	Molecular_Weight	142.20
12950121	Covalent_Unit_Count	1
18757800	Total_Formal_Charge	0
9746	TPSA	12.9
9916998	Structure_Complexity	1070
11297955	Rotatable_Bond_Count	1
21648	XLogP3-AA	1.5
17520	Isotope_Atom_Count	0
3203	Exact_Mass	315.0273907
13728409	Molecular_Weight	620.7
2471	TPSA	127
12	Defined_Bond_Stereo_Count	0
22291085	Mono_Isotopic_Weight	522.22670545
44125988	Molecular_Weight	366.5
22574	Mono_Isotopic_Weight	232.99940812
21651128	Molecular_Weight	117.15
78284	Molecular_Weight	132.59
91302105	XLogP3-AA	0.3
11194305	TPSA	67.5
2100	Defined_Atom_Stereo_Count	0
130006807	Defined_Atom_Stereo_Count	0
7557	Exact_Mass	146.073164938
71680685	Undefined_Atom_Stereo_Count	1
28467	TPSA	86.8
54394834	Rotatable_Bond_Count	7
1345	XLogP3-AA	5.5
13574480	Rotatable_Bond_Count	2
131750205	Molecular_Weight	1104.6
10969	Undefined_Atom_Stereo_Count	1
11181836	Non-hydrogen_Atom_Count	48
566069	XLogP3-AA	2.2
12295187	Rotatable_Bond_Count	0
10567	Molecular_Weight	126.97
71671	Structure_Complexity	255
11062343	Covalent_Unit_Count	1
6514	TPSA	38.3
155353470	Hydrogen_Bond_Acceptor_Count	3
25137956	Defined_Bond_Stereo_Count	0
20392754	Covalent_Unit_Count	1
62878	Isotope_Atom_Count	0
104881	XLogP3-AA	4.9
104930	Undefined_Atom_Stereo_Count	0
11442891	Hydrogen_Bond_Donor_Count	2
231360	Isotope_Atom_Count	0
9568613	Structure_Complexity	453
66792573	Molecular_Weight	101.15
9265	TPSA	0
101606430	Non-hydrogen_Atom_Count	36
4460	Undefined_Atom_Stereo_Count	11
15272297	Molecular_Weight	112.13
135419182	Mono_Isotopic_Weight	538.01413629
134692450	Exact_Mass	580.15345715
518455	Non-hydrogen_Atom_Count	8
54776248	Undefined_Atom_Stereo_Count	0
1560	Non-hydrogen_Atom_Count	19
16305	Structure_Complexity	162
6380	Covalent_Unit_Count	1
90628	Covalent_Unit_Count	1
78297	TPSA	115
140606019	TPSA	34
13241308	Hydrogen_Bond_Acceptor_Count	3
92839	Undefined_Bond_Stereo_Count	0
10417847	Defined_Bond_Stereo_Count	0
15109863	Hydrogen_Bond_Acceptor_Count	1
16638	Total_Formal_Charge	0
154091501	Undefined_Bond_Stereo_Count	0
124635203	Isotope_Atom_Count	0
54575456	TPSA	167
29982856	TPSA	190
400772	XLogP3-AA	1.4
9623	Isotope_Atom_Count	0
58206428	Isotope_Atom_Count	0
71300410	Molecular_Weight	557.6
653473	Defined_Atom_Stereo_Count	0
65983891	Molecular_Weight	98.10
10129911	Undefined_Atom_Stereo_Count	1
19380118	Defined_Atom_Stereo_Count	0
44629654	Undefined_Atom_Stereo_Count	0
68109743	Undefined_Atom_Stereo_Count	0
60196393	Exact_Mass	263.08029903
66663	Covalent_Unit_Count	1
42337	Hydrogen_Bond_Donor_Count	0
91165609	Hydrogen_Bond_Donor_Count	1
22344257	XLogP3-AA	0.4
61634	Defined_Atom_Stereo_Count	0
60196275	Hydrogen_Bond_Donor_Count	1
445715	Isotope_Atom_Count	0
10813654	Defined_Atom_Stereo_Count	4
43471	Exact_Mass	165.078978594
41839	Hydrogen_Bond_Acceptor_Count	3
134399	Exact_Mass	129.115364102
8408	Covalent_Unit_Count	1
135084	Tautomer_Count	18
439744	Mono_Isotopic_Weight	306.97054
3033928	Structure_Complexity	478
19657	Undefined_Atom_Stereo_Count	1
1473603	TPSA	43.6
135403648	Hydrogen_Bond_Donor_Count	7
22721510	Exact_Mass	109.016378338
12140167	Mono_Isotopic_Weight	110.03409409
585174	Covalent_Unit_Count	1
959571	Hydrogen_Bond_Acceptor_Count	5
66615619	Hydrogen_Bond_Acceptor_Count	6
48870	Rotatable_Bond_Count	6
130608736	Undefined_Atom_Stereo_Count	2
108227	Hydrogen_Bond_Donor_Count	2
135871122	Tautomer_Count	85
59716033	Mono_Isotopic_Weight	96.068748264
30468	Defined_Bond_Stereo_Count	0
562176	XLogP3-AA	2.8
11136	Exact_Mass	393.935436
45120378	XLogP3-AA	1.1
22833489	Hydrogen_Bond_Donor_Count	0
3539116	Mono_Isotopic_Weight	140.97752722
58247512	XLogP3-AA	1.3
42334	Undefined_Atom_Stereo_Count	2
129	Tautomer_Count	2
123512955	Covalent_Unit_Count	1
14517	Hydrogen_Bond_Donor_Count	0
3002120	TPSA	247
284948	Hydrogen_Bond_Acceptor_Count	6
51003661	Total_Formal_Charge	0
112412	Total_Formal_Charge	0
80507	Defined_Atom_Stereo_Count	0
153989152	Undefined_Atom_Stereo_Count	0
177700	Defined_Bond_Stereo_Count	0
8667	Non-hydrogen_Atom_Count	19
5383	Non-hydrogen_Atom_Count	15
3521	TPSA	179
77574	Undefined_Bond_Stereo_Count	0
99057	Hydrogen_Bond_Donor_Count	3
149755	TPSA	163
129146	Hydrogen_Bond_Donor_Count	2
5281616	Total_Formal_Charge	0
16682834	Covalent_Unit_Count	1
9549168	TPSA	552
7020094	Non-hydrogen_Atom_Count	19
73891153	Covalent_Unit_Count	1
95961	Structure_Complexity	220
48080	Molecular_Weight	419.9
3668	XLogP3-AA	0.9
548945	XLogP3-AA	3.5
272282	Defined_Bond_Stereo_Count	0
58091261	TPSA	20.1
16318	Non-hydrogen_Atom_Count	22
520554	Tautomer_Count	1
798	TPSA	15.8
14671559	Undefined_Atom_Stereo_Count	0
6871	Defined_Bond_Stereo_Count	0
547790	Total_Formal_Charge	0
5354325	Total_Formal_Charge	0
12669583	XLogP3-AA	1.2
6618	Exact_Mass	543.75298
136059	Hydrogen_Bond_Donor_Count	0
67614074	TPSA	44.2
31300	Isotope_Atom_Count	0
20498	Defined_Atom_Stereo_Count	0
13568	Defined_Bond_Stereo_Count	0
134689013	TPSA	38.8
54411340	Mono_Isotopic_Weight	95.048347172
6435156	Structure_Complexity	451
91899080	Non-hydrogen_Atom_Count	16
54676715	Covalent_Unit_Count	1
62816	Non-hydrogen_Atom_Count	18
12289998	Isotope_Atom_Count	0
35455	Undefined_Bond_Stereo_Count	0
9821547	Structure_Complexity	485
129872	TPSA	6.5
55917	Undefined_Atom_Stereo_Count	0
20485709	Undefined_Bond_Stereo_Count	0
2769656	Molecular_Weight	106.05
1999	Molecular_Weight	248.28
49985	Structure_Complexity	249
1550213	Isotope_Atom_Count	0
10037	Undefined_Atom_Stereo_Count	0
55299744	XLogP3-AA	1
9009	Structure_Complexity	55.7
133108869	TPSA	75.6
6466	Non-hydrogen_Atom_Count	25
23677323	Structure_Complexity	220
165079254	Hydrogen_Bond_Donor_Count	2
224392	Hydrogen_Bond_Donor_Count	1
6857732	Defined_Atom_Stereo_Count	8
83735	Undefined_Atom_Stereo_Count	0
11281445	Total_Formal_Charge	0
65013	Undefined_Bond_Stereo_Count	0
13443454	Structure_Complexity	84.2
401234	Exact_Mass	192.06472551
6999115	Undefined_Atom_Stereo_Count	0
20913	Isotope_Atom_Count	0
21872570	Non-hydrogen_Atom_Count	8
8842	Undefined_Atom_Stereo_Count	1
71655	Rotatable_Bond_Count	2
71066	Defined_Atom_Stereo_Count	0
22172	Undefined_Bond_Stereo_Count	0
6419708	Non-hydrogen_Atom_Count	22
49792792	Molecular_Weight	358.5
140211	Undefined_Atom_Stereo_Count	0
136729	Covalent_Unit_Count	1
247769	Hydrogen_Bond_Donor_Count	1
3269	Defined_Bond_Stereo_Count	0
33627	Non-hydrogen_Atom_Count	32
6604087	Hydrogen_Bond_Acceptor_Count	9
71884	Exact_Mass	710.30978362
70151	Rotatable_Bond_Count	2
27891	Covalent_Unit_Count	2
6303	Isotope_Atom_Count	0
74348	Defined_Atom_Stereo_Count	0
705467	Total_Formal_Charge	0
137076	Molecular_Weight	109.17
7774	Total_Formal_Charge	0
18445434	TPSA	41.1
6918663	Rotatable_Bond_Count	7
59856471	Hydrogen_Bond_Acceptor_Count	9
28700	Total_Formal_Charge	0
91649	Tautomer_Count	2
119095542	Hydrogen_Bond_Donor_Count	2
57452	Hydrogen_Bond_Donor_Count	1
80837	Hydrogen_Bond_Donor_Count	2
38768	Rotatable_Bond_Count	6
21864560	Exact_Mass	1212.68532087
21983433	Molecular_Weight	293.49
59277826	Defined_Bond_Stereo_Count	0
104625	Structure_Complexity	223
18711391	Molecular_Weight	122.21
36689718	Isotope_Atom_Count	0
23394557	Undefined_Bond_Stereo_Count	0
135463451	Undefined_Bond_Stereo_Count	0
81450	Undefined_Bond_Stereo_Count	0
3865578	Rotatable_Bond_Count	2
6921	XLogP3	3.5
8761	Structure_Complexity	111
4244	Rotatable_Bond_Count	9
97865	Defined_Atom_Stereo_Count	0
11717831	Hydrogen_Bond_Donor_Count	2
160368576	Total_Formal_Charge	0
9549284	Hydrogen_Bond_Donor_Count	2
5712574	Total_Formal_Charge	0
71309128	Mono_Isotopic_Weight	186.08351711
5702096	Rotatable_Bond_Count	2
54680783	Mono_Isotopic_Weight	250.08412354
3033821	Hydrogen_Bond_Donor_Count	0
85663349	Defined_Atom_Stereo_Count	0
11379	Isotope_Atom_Count	0
3083671	Hydrogen_Bond_Donor_Count	2
161562	Hydrogen_Bond_Donor_Count	0
13927379	Undefined_Bond_Stereo_Count	0
57395267	XLogP3-AA	4.3
11717001	Isotope_Atom_Count	0
16091096	Total_Formal_Charge	0
447966	Tautomer_Count	5
40697	Molecular_Weight	321.5
28754	Tautomer_Count	1
2128	Isotope_Atom_Count	0
55113	Structure_Complexity	300
7814	Molecular_Weight	108.14
61184	Molecular_Weight	130.18
8225	Exact_Mass	384.23005950
11403482	Exact_Mass	287.0349209
19067730	Covalent_Unit_Count	1
12896	XLogP3	3.2
3447	Isotope_Atom_Count	0
9375	Exact_Mass	206.141913202
105426930	Undefined_Atom_Stereo_Count	3
1837	Structure_Complexity	203
14909248	Hydrogen_Bond_Acceptor_Count	1
7495	Defined_Bond_Stereo_Count	0
9107	XLogP3-AA	5.6
82851	Undefined_Bond_Stereo_Count	0
71209	Tautomer_Count	2
5053503	Undefined_Bond_Stereo_Count	0
24729360	Undefined_Bond_Stereo_Count	0
89789591	Undefined_Atom_Stereo_Count	0
53320156	Covalent_Unit_Count	1
830140	Structure_Complexity	254
60168097	Hydrogen_Bond_Donor_Count	0
220820	Defined_Atom_Stereo_Count	0
22353206	Structure_Complexity	100
162343997	Defined_Atom_Stereo_Count	0
11340940	Non-hydrogen_Atom_Count	34
12932	Non-hydrogen_Atom_Count	23
3796816	Total_Formal_Charge	0
126	Structure_Complexity	93.1
92979	Defined_Bond_Stereo_Count	0
6419984	Undefined_Atom_Stereo_Count	2
121494046	Rotatable_Bond_Count	1
54114222	Hydrogen_Bond_Donor_Count	0
20696068	Isotope_Atom_Count	0
260716	Defined_Bond_Stereo_Count	0
87953	Undefined_Atom_Stereo_Count	0
71352	Mono_Isotopic_Weight	341.1546421
16420	Non-hydrogen_Atom_Count	15
10237369	Undefined_Bond_Stereo_Count	0
253878	Isotope_Atom_Count	0
12655091	Undefined_Atom_Stereo_Count	1
3791919	Hydrogen_Bond_Acceptor_Count	2
135409409	Hydrogen_Bond_Acceptor_Count	6
55298738	Non-hydrogen_Atom_Count	8
66840	Hydrogen_Bond_Acceptor_Count	3
6453781	Covalent_Unit_Count	1
130957284	Hydrogen_Bond_Acceptor_Count	2
57272093	Rotatable_Bond_Count	3
2846928	Structure_Complexity	230
4097	Rotatable_Bond_Count	7
131750204	Non-hydrogen_Atom_Count	39
4622	Undefined_Bond_Stereo_Count	0
271	Exact_Mass	39.9625908
6919	Mono_Isotopic_Weight	112.016043985
146743267	XLogP3-AA	1
60203	TPSA	31.4
16590	Hydrogen_Bond_Acceptor_Count	2
59703148	Non-hydrogen_Atom_Count	8
20054871	Rotatable_Bond_Count	7
83970	Undefined_Atom_Stereo_Count	0
7812	Non-hydrogen_Atom_Count	8
19163	Undefined_Bond_Stereo_Count	0
11539562	TPSA	93.7
17982942	Structure_Complexity	76.8
153665501	Molecular_Weight	108.18
86101	TPSA	50.8
71530	Exact_Mass	332.08613
3988	TPSA	113
54682463	Undefined_Bond_Stereo_Count	0
47675	Total_Formal_Charge	0
5328017	Total_Formal_Charge	0
8902	Undefined_Atom_Stereo_Count	0
30771	Covalent_Unit_Count	1
68165256	TPSA	85.9
25204	Defined_Atom_Stereo_Count	0
444294	Undefined_Atom_Stereo_Count	0
53323739	XLogP3-AA	2.4
15123310	Mono_Isotopic_Weight	295.0512396
7183	Defined_Atom_Stereo_Count	0
139081225	Total_Formal_Charge	0
37015	Covalent_Unit_Count	1
2761494	Tautomer_Count	5
99922	Tautomer_Count	5
19938786	Non-hydrogen_Atom_Count	8
42509	Mono_Isotopic_Weight	329.1658755
11181836	Covalent_Unit_Count	2
142401	Mono_Isotopic_Weight	92.026214747
3081349	TPSA	121
63141	Molecular_Weight	516.11
8630	Tautomer_Count	1
9950891	Molecular_Weight	363.4
636857	TPSA	121
5902	Defined_Bond_Stereo_Count	0
160355	Hydrogen_Bond_Acceptor_Count	6
194647	Undefined_Atom_Stereo_Count	8
661938	Rotatable_Bond_Count	8
517232	Total_Formal_Charge	0
15684	Exact_Mass	175.9795702
5288998	Mono_Isotopic_Weight	237.06372245
13570516	XLogP3-AA	1.4
521151	XLogP3-AA	0.3
5479529	Hydrogen_Bond_Acceptor_Count	10
18699327	Isotope_Atom_Count	0
86597	Hydrogen_Bond_Donor_Count	0
12671579	TPSA	53
90453	Undefined_Bond_Stereo_Count	0
62705861	Non-hydrogen_Atom_Count	35
5282241	Undefined_Bond_Stereo_Count	0
969472	Defined_Atom_Stereo_Count	1
226205	Covalent_Unit_Count	1
144459	Molecular_Weight	192.3
677105	Covalent_Unit_Count	1
30020	Isotope_Atom_Count	0
97823	Molecular_Weight	99.13
17928	Defined_Atom_Stereo_Count	0
4068533	Covalent_Unit_Count	2
21635253	Undefined_Atom_Stereo_Count	2
86287524	TPSA	17.1
140511	Hydrogen_Bond_Acceptor_Count	1
24825271	Rotatable_Bond_Count	5
297691	Covalent_Unit_Count	1
19693843	Defined_Atom_Stereo_Count	0
1549517	Hydrogen_Bond_Acceptor_Count	1
3035914	Mono_Isotopic_Weight	258.15929460
23216963	Structure_Complexity	90.4
549482	Defined_Atom_Stereo_Count	0
52940810	Hydrogen_Bond_Acceptor_Count	5
89613815	XLogP3-AA	0.9
676399	Defined_Atom_Stereo_Count	1
2657	TPSA	288
14776	Hydrogen_Bond_Donor_Count	0
440864	Exact_Mass	104.047344113
74229	Structure_Complexity	192
53320169	Undefined_Atom_Stereo_Count	0
213013	Covalent_Unit_Count	1
162817	XLogP3-AA	3
152807	Undefined_Atom_Stereo_Count	1
625295	Rotatable_Bond_Count	7
220	Total_Formal_Charge	0
39187	Undefined_Atom_Stereo_Count	1
199543	Exact_Mass	108.021129366
11304	Structure_Complexity	132
12740462	Total_Formal_Charge	0
21067	TPSA	44.4
9903944	Total_Formal_Charge	0
167845	Mono_Isotopic_Weight	223.93009
45788576	Mono_Isotopic_Weight	111.068413911
57952	Non-hydrogen_Atom_Count	28
14307964	Undefined_Atom_Stereo_Count	1
10931378	Undefined_Atom_Stereo_Count	1
824336	Non-hydrogen_Atom_Count	23
134689784	Molecular_Weight	702.9
12205	Undefined_Bond_Stereo_Count	0
11631565	XLogP3-AA	5.4
126479882	Mono_Isotopic_Weight	637.15978786
91185266	Mono_Isotopic_Weight	114.068079557
50894	Structure_Complexity	373
5624	Defined_Atom_Stereo_Count	0
16237	Non-hydrogen_Atom_Count	13
39272	Tautomer_Count	1
16131300	Hydrogen_Bond_Acceptor_Count	46
37137	XLogP3	4.4
12899069	Total_Formal_Charge	0
8360	Non-hydrogen_Atom_Count	11
64992139	Total_Formal_Charge	0
11527282	XLogP3-AA	5.1
5702251	Mono_Isotopic_Weight	234.0326684
56673014	Isotope_Atom_Count	0
7973	Exact_Mass	156.95271
10931233	Isotope_Atom_Count	0
25674	Defined_Atom_Stereo_Count	1
204506	Tautomer_Count	3
4627783	Undefined_Bond_Stereo_Count	0
20228546	Total_Formal_Charge	0
8881	Hydrogen_Bond_Acceptor_Count	0
16388	Isotope_Atom_Count	0
125702	Undefined_Bond_Stereo_Count	0
589287	Defined_Atom_Stereo_Count	0
5466139	Rotatable_Bond_Count	1
137895	Defined_Atom_Stereo_Count	0
14815775	Covalent_Unit_Count	1
18065	Defined_Atom_Stereo_Count	0
30214	TPSA	26
32069	Undefined_Bond_Stereo_Count	0
94403	Molecular_Weight	264.4
17561	Rotatable_Bond_Count	2
40652	Defined_Bond_Stereo_Count	0
7628	Rotatable_Bond_Count	0
90449	Total_Formal_Charge	0
111314	Undefined_Atom_Stereo_Count	1
123481823	Rotatable_Bond_Count	0
44809	Covalent_Unit_Count	3
53038	Total_Formal_Charge	0
11652865	Rotatable_Bond_Count	2
122198135	Total_Formal_Charge	0
24824	Rotatable_Bond_Count	0
2866	Mono_Isotopic_Weight	354.19434270
5235	Rotatable_Bond_Count	0
6328174	Hydrogen_Bond_Donor_Count	3
12869962	Isotope_Atom_Count	0
15457	Hydrogen_Bond_Donor_Count	0
7811	Total_Formal_Charge	0
9989237	Undefined_Atom_Stereo_Count	0
135565940	Isotope_Atom_Count	0
71834	Mono_Isotopic_Weight	360.0061961
706285	TPSA	49.3
157920	Defined_Atom_Stereo_Count	4
44214615	Mono_Isotopic_Weight	229.0173527
3084092	Non-hydrogen_Atom_Count	45
11503692	Undefined_Bond_Stereo_Count	0
66587017	Defined_Bond_Stereo_Count	0
9528	Molecular_Weight	182.06
5074	Defined_Atom_Stereo_Count	0
11	Total_Formal_Charge	0
11095	Mono_Isotopic_Weight	288.06338810
10997868	Defined_Bond_Stereo_Count	0
3711	Molecular_Weight	416.4
26318	Tautomer_Count	1
13040869	Rotatable_Bond_Count	1
91666323	Exact_Mass	216.02459690
19027815	TPSA	15.8
139135915	Hydrogen_Bond_Acceptor_Count	2
122820	Isotope_Atom_Count	0
6256685	Non-hydrogen_Atom_Count	18
213	Structure_Complexity	459
6331	Non-hydrogen_Atom_Count	1
4377949	Tautomer_Count	1
123891134	Rotatable_Bond_Count	1
67317342	XLogP3-AA	1.3
20087060	Defined_Bond_Stereo_Count	0
442072	Non-hydrogen_Atom_Count	20
558363	Mono_Isotopic_Weight	99.104799419
24978536	Defined_Atom_Stereo_Count	0
5284469	Total_Formal_Charge	0
118318030	Non-hydrogen_Atom_Count	36
11335094	Exact_Mass	284.16237386
48	Molecular_Weight	145.11
77596	Molecular_Weight	100.12
56675697	Rotatable_Bond_Count	10
6537099	Structure_Complexity	326
10285778	Rotatable_Bond_Count	2
58152970	Non-hydrogen_Atom_Count	15
9470	Undefined_Atom_Stereo_Count	1
70484261	Rotatable_Bond_Count	0
15529	Defined_Bond_Stereo_Count	0
838844	Mono_Isotopic_Weight	237.97418
17517	Total_Formal_Charge	0
74141	Hydrogen_Bond_Acceptor_Count	3
5351257	Mono_Isotopic_Weight	354.07395278
52987646	Rotatable_Bond_Count	17
11544171	Defined_Atom_Stereo_Count	0
6318	Exact_Mass	155.9978071
8606	Total_Formal_Charge	0
24466	Non-hydrogen_Atom_Count	17
5245480	Undefined_Bond_Stereo_Count	0
32051	Isotope_Atom_Count	0
13566	Undefined_Bond_Stereo_Count	0
11596660	Defined_Atom_Stereo_Count	0
91362186	Undefined_Bond_Stereo_Count	0
81574	Covalent_Unit_Count	1
16218740	Defined_Atom_Stereo_Count	0
415868	Undefined_Bond_Stereo_Count	0
86277430	TPSA	86
49248	Defined_Bond_Stereo_Count	0
25008765	XLogP3-AA	0.2
2188	Defined_Bond_Stereo_Count	0
14869	Covalent_Unit_Count	1
89318	Undefined_Bond_Stereo_Count	0
54767916	Isotope_Atom_Count	0
5280490	XLogP3	6.2
100937012	Defined_Bond_Stereo_Count	0
5442	Undefined_Bond_Stereo_Count	0
153722581	Isotope_Atom_Count	0
3038	Structure_Complexity	452
130642949	Undefined_Atom_Stereo_Count	1
989384	Mono_Isotopic_Weight	408.13550766
57928403	Hydrogen_Bond_Donor_Count	4
7090	Defined_Atom_Stereo_Count	0
23696271	Hydrogen_Bond_Donor_Count	1
84986	Molecular_Weight	210.68
18281	Total_Formal_Charge	0
70240	Isotope_Atom_Count	0
87906	Molecular_Weight	96.17
5284633	Non-hydrogen_Atom_Count	32
123565918	Isotope_Atom_Count	0
31493	Covalent_Unit_Count	1
11658860	Structure_Complexity	172
145305028	Structure_Complexity	86.1
10994	TPSA	47.6
23083539	Defined_Atom_Stereo_Count	0
2037	Covalent_Unit_Count	1
65373	Undefined_Atom_Stereo_Count	0
44577705	Non-hydrogen_Atom_Count	38
8003	Defined_Atom_Stereo_Count	0
3497012	Mono_Isotopic_Weight	183.07696722
65974	Covalent_Unit_Count	1
318280	Total_Formal_Charge	0
518605	Hydrogen_Bond_Acceptor_Count	6
23687810	Tautomer_Count	1
57082085	Defined_Atom_Stereo_Count	0
6439420	Exact_Mass	428.14396435
7019	Total_Formal_Charge	0
9832750	Molecular_Weight	899.1
543237	Total_Formal_Charge	0
69342090	Hydrogen_Bond_Acceptor_Count	2
491830	Structure_Complexity	472
19426425	Undefined_Atom_Stereo_Count	0
93032	Defined_Bond_Stereo_Count	0
52291	Tautomer_Count	1
4369445	Hydrogen_Bond_Acceptor_Count	12
10117987	Defined_Bond_Stereo_Count	0
6918545	Covalent_Unit_Count	5
11073538	Defined_Bond_Stereo_Count	0
21865526	Mono_Isotopic_Weight	414.20423867
125	Hydrogen_Bond_Donor_Count	2
135398559	Undefined_Bond_Stereo_Count	0
20678	Isotope_Atom_Count	0
4992033	Structure_Complexity	111
203911	Rotatable_Bond_Count	2
76223135	Rotatable_Bond_Count	0
76318	Undefined_Bond_Stereo_Count	0
681133	Non-hydrogen_Atom_Count	22
289539	Non-hydrogen_Atom_Count	8
9033	Covalent_Unit_Count	1
6883	Total_Formal_Charge	0
7817	Tautomer_Count	6
5547	Defined_Bond_Stereo_Count	0
22181555	Non-hydrogen_Atom_Count	7
246983	TPSA	20.2
20393	Defined_Atom_Stereo_Count	0
208880	XLogP3-AA	0.5
10184774	Defined_Bond_Stereo_Count	0
135531169	XLogP3-AA	2.7
80654	Undefined_Bond_Stereo_Count	0
638132	Undefined_Atom_Stereo_Count	0
584645	Exact_Mass	302.06128010
92764	TPSA	0
3386	Isotope_Atom_Count	0
9524	Hydrogen_Bond_Donor_Count	0
6521	Defined_Bond_Stereo_Count	0
27914	Molecular_Weight	196.04
20056625	Structure_Complexity	614
66545	Mono_Isotopic_Weight	238.04121336
146779553	Mono_Isotopic_Weight	108.093900383
44311916	Mono_Isotopic_Weight	1018.44048069
1201	Defined_Atom_Stereo_Count	0
84647642	Total_Formal_Charge	0
82418997	Isotope_Atom_Count	0
6132	Rotatable_Bond_Count	6
5283155	TPSA	57.5
57515	Molecular_Weight	599.5
129803162	Defined_Atom_Stereo_Count	0
165906267	Defined_Atom_Stereo_Count	0
520911	Covalent_Unit_Count	1
64587	Tautomer_Count	2
62158	Molecular_Weight	242.23
56734	Defined_Atom_Stereo_Count	0
5150303	Mono_Isotopic_Weight	330.0376063
137716	Undefined_Atom_Stereo_Count	0
23665731	Hydrogen_Bond_Donor_Count	1
44349928	Defined_Atom_Stereo_Count	0
9865929	Isotope_Atom_Count	0
12648672	XLogP3-AA	0.4
120942	Hydrogen_Bond_Acceptor_Count	7
11589590	XLogP3-AA	5.9
126290	Molecular_Weight	510.7
2724564	Hydrogen_Bond_Acceptor_Count	2
61431	Hydrogen_Bond_Donor_Count	0
6420019	Non-hydrogen_Atom_Count	21
54679224	Mono_Isotopic_Weight	144.9930561
69280558	Defined_Atom_Stereo_Count	0
105427064	Defined_Bond_Stereo_Count	0
15932798	Undefined_Atom_Stereo_Count	0
5460183	Mono_Isotopic_Weight	1328.564325
17820196	Hydrogen_Bond_Donor_Count	0
72959169	Undefined_Atom_Stereo_Count	0
91696	Tautomer_Count	2
1425	Non-hydrogen_Atom_Count	21
10941	Mono_Isotopic_Weight	180.0221037
289847	TPSA	63.8
62576	Rotatable_Bond_Count	4
51030896	TPSA	117
11976366	Mono_Isotopic_Weight	334.14814140
7243	Total_Formal_Charge	0
13573815	Undefined_Atom_Stereo_Count	2
183	Hydrogen_Bond_Donor_Count	9
54786	Non-hydrogen_Atom_Count	28
31283	Non-hydrogen_Atom_Count	18
18506421	Rotatable_Bond_Count	0
619387	Defined_Bond_Stereo_Count	0
87851	Total_Formal_Charge	0
118665446	Isotope_Atom_Count	0
134689013	Mono_Isotopic_Weight	332.23514488
31234	Exact_Mass	136.088815002
87919798	XLogP3-AA	0.3
65564	Total_Formal_Charge	0
135505	Defined_Bond_Stereo_Count	0
11865459	XLogP3	2.9
69885	Undefined_Bond_Stereo_Count	0
35459	Molecular_Weight	162.18
89808883	Molecular_Weight	101.15
3086428	Hydrogen_Bond_Donor_Count	8
71458922	Covalent_Unit_Count	1
61124202	Structure_Complexity	134
154247752	Molecular_Weight	104.15
297888	TPSA	54.4
641768	Defined_Bond_Stereo_Count	0
10214378	Covalent_Unit_Count	1
8166	Undefined_Bond_Stereo_Count	0
5521	Exact_Mass	161.06056562
57318251	Defined_Atom_Stereo_Count	0
13034936	Tautomer_Count	1
86384	Defined_Bond_Stereo_Count	0
140945	XLogP3-AA	1.8
42993	Mono_Isotopic_Weight	339.14705815
92374	Defined_Atom_Stereo_Count	0
88489334	Defined_Bond_Stereo_Count	0
522996	Covalent_Unit_Count	1
1361	Covalent_Unit_Count	1
16219293	Mono_Isotopic_Weight	337.05488871
6433	Undefined_Bond_Stereo_Count	0
59729233	Covalent_Unit_Count	1
135398570	Defined_Atom_Stereo_Count	4
21313738	Hydrogen_Bond_Donor_Count	1
533432	Defined_Bond_Stereo_Count	0
84703	Rotatable_Bond_Count	14
54335228	XLogP3-AA	0.2
46227489	Hydrogen_Bond_Donor_Count	2
106	Exact_Mass	185.00892397
2727	Hydrogen_Bond_Acceptor_Count	3
263	Mono_Isotopic_Weight	74.073164938
1224	Hydrogen_Bond_Acceptor_Count	2
62382	Defined_Bond_Stereo_Count	0
123942782	Undefined_Bond_Stereo_Count	0
17779	Isotope_Atom_Count	0
10290764	Hydrogen_Bond_Donor_Count	2
26295	Total_Formal_Charge	0
17895808	Non-hydrogen_Atom_Count	7
91272	Undefined_Bond_Stereo_Count	0
36604	XLogP3	2.1
65710	Non-hydrogen_Atom_Count	27
21719780	XLogP3-AA	1
31193	Hydrogen_Bond_Donor_Count	0
156323004	Covalent_Unit_Count	1
49866023	Non-hydrogen_Atom_Count	26
140850	TPSA	60.7
18424759	Hydrogen_Bond_Donor_Count	1
73977874	Mono_Isotopic_Weight	110.073164938
444655	Molecular_Weight	121.16
557608	Molecular_Weight	138.21
9835868	Molecular_Weight	297.5
70443535	Exact_Mass	180.06338810
71584401	Rotatable_Bond_Count	8
89216	Rotatable_Bond_Count	4
2734040	Non-hydrogen_Atom_Count	15
163091	Undefined_Bond_Stereo_Count	0
3613359	Structure_Complexity	22.8
134688015	Hydrogen_Bond_Acceptor_Count	0
135502804	XLogP3-AA	1.7
21027022	Undefined_Atom_Stereo_Count	0
2341	Exact_Mass	239.167399674
13172504	XLogP3-AA	1.6
53743621	Total_Formal_Charge	0
3436	Non-hydrogen_Atom_Count	19
26289	Hydrogen_Bond_Donor_Count	0
91657	Tautomer_Count	6
55191	Molecular_Weight	359.5
11895	Exact_Mass	170.0134572
2909	Undefined_Bond_Stereo_Count	1
75777	Mono_Isotopic_Weight	187.063328530
656604	Mono_Isotopic_Weight	223.03368562
16106473	Isotope_Atom_Count	0
3763607	Defined_Bond_Stereo_Count	0
31261	Non-hydrogen_Atom_Count	7
136750	Undefined_Bond_Stereo_Count	0
141343693	Total_Formal_Charge	0
69049742	Total_Formal_Charge	0
5070	Isotope_Atom_Count	0
60618	Structure_Complexity	504
115034	Undefined_Atom_Stereo_Count	0
643189	Undefined_Bond_Stereo_Count	0
19470	Isotope_Atom_Count	0
129653419	Mono_Isotopic_Weight	86.07077866
10964417	Defined_Atom_Stereo_Count	0
129629321	Total_Formal_Charge	0
101609	Defined_Atom_Stereo_Count	4
15580	Exact_Mass	276.0319997
5362858	Covalent_Unit_Count	1
21875354	Covalent_Unit_Count	1
16264	Tautomer_Count	1
2775641	Non-hydrogen_Atom_Count	8
19193	Exact_Mass	109.063997236
10419137	Molecular_Weight	98.15
11287722	Non-hydrogen_Atom_Count	16
542337	Molecular_Weight	100.16
9799942	Total_Formal_Charge	0
71587019	Structure_Complexity	166
182	Non-hydrogen_Atom_Count	78
121207424	Isotope_Atom_Count	0
11869222	Rotatable_Bond_Count	3
94310	Tautomer_Count	1
74995	Rotatable_Bond_Count	0
76171	Isotope_Atom_Count	0
399	Undefined_Atom_Stereo_Count	0
123328983	Undefined_Bond_Stereo_Count	0
4688	Undefined_Bond_Stereo_Count	0
21499	Defined_Bond_Stereo_Count	0
58877	XLogP3-AA	3.4
97428	Covalent_Unit_Count	1
10027822	Exact_Mass	473.18383758
101115582	Structure_Complexity	94.6
42614	Molecular_Weight	198.18
12251	Tautomer_Count	1
19077508	Covalent_Unit_Count	1
132784510	Defined_Atom_Stereo_Count	0
5702599	Total_Formal_Charge	0
17819	Covalent_Unit_Count	1
69986	Total_Formal_Charge	0
20587	TPSA	43.7
68841	Tautomer_Count	1
78860	Total_Formal_Charge	0
18601660	Defined_Atom_Stereo_Count	5
527511	Structure_Complexity	62.8
66586067	Isotope_Atom_Count	0
6397996	Non-hydrogen_Atom_Count	2
6477186	Defined_Atom_Stereo_Count	1
634470	XLogP3-AA	3.9
154342	Tautomer_Count	3
9849313	Structure_Complexity	673
80076	Mono_Isotopic_Weight	92.0028925
21930930	Molecular_Weight	108.10
11083833	Structure_Complexity	102
10953453	Non-hydrogen_Atom_Count	8
9916282	Molecular_Weight	580.7
4931	Rotatable_Bond_Count	3
40466954	Total_Formal_Charge	1
9823	Hydrogen_Bond_Acceptor_Count	3
59259660	Undefined_Bond_Stereo_Count	0
96338	Undefined_Bond_Stereo_Count	0
5284542	Undefined_Bond_Stereo_Count	0
566685	Defined_Bond_Stereo_Count	0
96402	Molecular_Weight	279.2
101601898	Molecular_Weight	304.4
13189	TPSA	0
73951857	Non-hydrogen_Atom_Count	20
23422064	TPSA	60.8
53325875	Hydrogen_Bond_Acceptor_Count	6
72076	Defined_Atom_Stereo_Count	0
1242	Hydrogen_Bond_Donor_Count	3
61027	Defined_Bond_Stereo_Count	0
9327	Undefined_Atom_Stereo_Count	0
88729	XLogP3	3.9
4906	Hydrogen_Bond_Donor_Count	2
57874	Exact_Mass	312.183778013
15081	Rotatable_Bond_Count	0
12695793	Defined_Atom_Stereo_Count	0
20448997	Covalent_Unit_Count	1
9018	TPSA	20.2
5909	Rotatable_Bond_Count	3
98017	TPSA	55.8
7004	Isotope_Atom_Count	0
50128	Molecular_Weight	329.9
20205	Covalent_Unit_Count	1
65127	Rotatable_Bond_Count	3
7402	Undefined_Bond_Stereo_Count	0
9956222	Exact_Mass	467.17058756
45040320	Covalent_Unit_Count	1
162268	Hydrogen_Bond_Donor_Count	0
5808	Molecular_Weight	211.26
503760	Isotope_Atom_Count	0
118705467	Mono_Isotopic_Weight	645.31491132
158144361	Total_Formal_Charge	0
12623293	Tautomer_Count	1
9356	Hydrogen_Bond_Donor_Count	5
449355	TPSA	102
143122	Hydrogen_Bond_Acceptor_Count	0
91129494	XLogP3-AA	1.1
5316860	Tautomer_Count	1
13399	Isotope_Atom_Count	0
7791	Undefined_Atom_Stereo_Count	2
9934	Total_Formal_Charge	0
165664742	Non-hydrogen_Atom_Count	7
11175137	Undefined_Bond_Stereo_Count	0
13795013	Hydrogen_Bond_Donor_Count	2
5566	Mono_Isotopic_Weight	407.16430344
12296	XLogP3-AA	1.6
121596705	TPSA	92.8
54036153	Mono_Isotopic_Weight	111.068413911
59050128	Molecular_Weight	111.15
57385371	Molecular_Weight	432.9
6872	XLogP3	3.3
67691	Exact_Mass	122.053178385
3058503	Total_Formal_Charge	0
16197727	Non-hydrogen_Atom_Count	118
14030006	Molecular_Weight	933.4
3033031	Defined_Atom_Stereo_Count	2
15072854	Molecular_Weight	113.16
53317813	Hydrogen_Bond_Acceptor_Count	7
23670844	Exact_Mass	267.96536795
91053206	Mono_Isotopic_Weight	1201.84136802
70732	TPSA	33.1
154776153	Exact_Mass	284.16237386
3799953	Molecular_Weight	78.16
11201358	Rotatable_Bond_Count	2
46780289	Covalent_Unit_Count	1
4173327	Undefined_Bond_Stereo_Count	0
13672885	Rotatable_Bond_Count	3
775	Tautomer_Count	8
208924	Mono_Isotopic_Weight	313.1193192
381117	Mono_Isotopic_Weight	272.03679668
21809327	Non-hydrogen_Atom_Count	8
146396	Isotope_Atom_Count	0
146463800	Hydrogen_Bond_Acceptor_Count	2
12936855	Isotope_Atom_Count	0
236566	Defined_Atom_Stereo_Count	0
59952	Undefined_Atom_Stereo_Count	0
7301	Defined_Atom_Stereo_Count	0
6505803	XLogP3-AA	2.6
288862	Non-hydrogen_Atom_Count	18
134688930	Non-hydrogen_Atom_Count	23
145607000	Structure_Complexity	74.9
9576912	Rotatable_Bond_Count	5
66662059	Molecular_Weight	467.5
9201	Defined_Bond_Stereo_Count	0
10336591	Covalent_Unit_Count	1
4727	Hydrogen_Bond_Acceptor_Count	4
66683200	Rotatable_Bond_Count	1
138358	Hydrogen_Bond_Acceptor_Count	0
2734054	Undefined_Atom_Stereo_Count	0
86100	Hydrogen_Bond_Acceptor_Count	8
9019	Defined_Atom_Stereo_Count	0
1951	Defined_Atom_Stereo_Count	0
1549522	Exact_Mass	136.052429494
3068367	Defined_Bond_Stereo_Count	0
4178	Molecular_Weight	179.26
3035442	Defined_Atom_Stereo_Count	2
108938	Rotatable_Bond_Count	1
136502787	Structure_Complexity	107
9601349	Rotatable_Bond_Count	3
17865	TPSA	9.2
31222	Hydrogen_Bond_Donor_Count	2
11423561	Molecular_Weight	97.12
36511	Molecular_Weight	1347.6
65453	TPSA	214
10309028	Molecular_Weight	356.4
7732	TPSA	35.2
3084014	Covalent_Unit_Count	2
10351660	Total_Formal_Charge	0
77342	XLogP3-AA	0
124149361	Covalent_Unit_Count	1
24181457	Covalent_Unit_Count	2
106823823	Mono_Isotopic_Weight	116.083729621
138402871	Non-hydrogen_Atom_Count	58
57992215	Covalent_Unit_Count	1
657378	Total_Formal_Charge	0
3724	Molecular_Weight	1550.2
3813	XLogP3-AA	2.8
70863	Exact_Mass	311.1652068
3733	Non-hydrogen_Atom_Count	50
3544	Undefined_Bond_Stereo_Count	0
9896434	Molecular_Weight	437.4
3020	Non-hydrogen_Atom_Count	70
134694981	Undefined_Bond_Stereo_Count	1
5702065	Hydrogen_Bond_Donor_Count	1
11405	Defined_Bond_Stereo_Count	0
3205	Molecular_Weight	478.6
23618032	Tautomer_Count	2
9909202	Molecular_Weight	404.7
9068	Defined_Bond_Stereo_Count	0
22924371	Hydrogen_Bond_Acceptor_Count	2
72093	Molecular_Weight	483.7
14055	Non-hydrogen_Atom_Count	4
439377	Exact_Mass	161.06880783
9962	Total_Formal_Charge	0
22624610	Covalent_Unit_Count	1
57401296	Molecular_Weight	428.6
451188	Defined_Bond_Stereo_Count	0
398737	Rotatable_Bond_Count	8
103786	Defined_Atom_Stereo_Count	0
2402	Non-hydrogen_Atom_Count	34
543879	Hydrogen_Bond_Acceptor_Count	1
5257090	Undefined_Bond_Stereo_Count	0
29742	Tautomer_Count	13
60510	Hydrogen_Bond_Acceptor_Count	2
66908206	Undefined_Bond_Stereo_Count	0
24866519	Undefined_Atom_Stereo_Count	0
11611218	Molecular_Weight	409.3
20132002	Covalent_Unit_Count	1
230976	Hydrogen_Bond_Acceptor_Count	5
71717	Covalent_Unit_Count	1
76013	Structure_Complexity	412
15673	Isotope_Atom_Count	0
4363644	Isotope_Atom_Count	0
15158	Hydrogen_Bond_Donor_Count	0
166796	Rotatable_Bond_Count	5
6975516	Isotope_Atom_Count	0
44571221	Structure_Complexity	570
83008	Molecular_Weight	482.6
16659677	Isotope_Atom_Count	0
135436533	Undefined_Bond_Stereo_Count	0
69912	TPSA	43.1
5370611	Structure_Complexity	303
83949	XLogP3-AA	3.2
26081	Total_Formal_Charge	0
3019305	Mono_Isotopic_Weight	241.10152556
129010364	Molecular_Weight	665.7
40781	Non-hydrogen_Atom_Count	18
126290	Tautomer_Count	2
154734173	Covalent_Unit_Count	1
296659	Undefined_Atom_Stereo_Count	1
14079	Undefined_Bond_Stereo_Count	0
135475930	Structure_Complexity	728
47547	Isotope_Atom_Count	0
54391876	Covalent_Unit_Count	1
6093	Undefined_Atom_Stereo_Count	0
40428945	Exact_Mass	123.019452343
14179013	Defined_Atom_Stereo_Count	3
12093171	Defined_Atom_Stereo_Count	0
9920377	TPSA	41.1
133732	Undefined_Bond_Stereo_Count	0
23667651	Rotatable_Bond_Count	4
157857	Hydrogen_Bond_Donor_Count	1
22948535	Hydrogen_Bond_Donor_Count	0
49290	Tautomer_Count	5
186094	Defined_Atom_Stereo_Count	0
57037620	XLogP3-AA	0.6
12968	Exact_Mass	189.11873540
344793	TPSA	38.7
88093945	Exact_Mass	416.32904526
123911014	Molecular_Weight	90.12
91021644	Total_Formal_Charge	0
10882	Defined_Bond_Stereo_Count	0
83478502	Hydrogen_Bond_Acceptor_Count	3
529435	Non-hydrogen_Atom_Count	13
5351811	TPSA	65
63958	Total_Formal_Charge	0
14976739	Hydrogen_Bond_Donor_Count	1
157355	Exact_Mass	344.13186158
154461366	Non-hydrogen_Atom_Count	8
185617	Tautomer_Count	19
9799942	Undefined_Atom_Stereo_Count	1
5154	Molecular_Weight	332.3
449369	Isotope_Atom_Count	0
16211941	Rotatable_Bond_Count	1
72187527	Hydrogen_Bond_Acceptor_Count	5
9115	Hydrogen_Bond_Donor_Count	0
350	Non-hydrogen_Atom_Count	21
11569967	Exact_Mass	451.24958677
162681	TPSA	99.1
14197	Hydrogen_Bond_Donor_Count	1
9797657	Exact_Mass	295.11839862
121630	Exact_Mass	99.068413911
44626421	XLogP3-AA	5.6
7156	Hydrogen_Bond_Acceptor_Count	2
69065	Exact_Mass	216.04225873
98174	Total_Formal_Charge	0
852452	Rotatable_Bond_Count	2
80554	Tautomer_Count	4
57286318	TPSA	45.4
46173707	Tautomer_Count	1
23675258	Covalent_Unit_Count	2
6950274	Undefined_Atom_Stereo_Count	0
119438	Covalent_Unit_Count	1
87325	Covalent_Unit_Count	1
10031812	XLogP3-AA	5.1
121250	Exact_Mass	122.04015073
129638348	Rotatable_Bond_Count	0
16028	XLogP3-AA	5.3
115367	Hydrogen_Bond_Donor_Count	1
129893609	TPSA	365
15276695	Mono_Isotopic_Weight	99.068413911
821629	Tautomer_Count	1
71482479	Mono_Isotopic_Weight	146.06914219
565391	Undefined_Bond_Stereo_Count	0
78468	TPSA	52.6
27368	Covalent_Unit_Count	1
54427	Molecular_Weight	263.29
79571	Exact_Mass	141.078978594
79332	Undefined_Bond_Stereo_Count	0
54585373	TPSA	87.6
15561101	Defined_Bond_Stereo_Count	0
40030	Defined_Bond_Stereo_Count	0
1201549	Structure_Complexity	340
5421897	Rotatable_Bond_Count	3
5282198	Total_Formal_Charge	0
15276695	Molecular_Weight	99.13
20056828	Rotatable_Bond_Count	6
44590515	Mono_Isotopic_Weight	500.19587943
21534	Non-hydrogen_Atom_Count	6
7323	Total_Formal_Charge	0
14965861	Defined_Atom_Stereo_Count	0
23667657	Exact_Mass	435.9556460
51042	TPSA	0
144512943	Exact_Mass	100.063662883
15356533	Isotope_Atom_Count	0
3939	Total_Formal_Charge	0
55939	Hydrogen_Bond_Donor_Count	1
14083582	Exact_Mass	114.068079557
68727	Hydrogen_Bond_Acceptor_Count	2
5284442	XLogP3-AA	4
3041255	Isotope_Atom_Count	0
85576	Hydrogen_Bond_Acceptor_Count	2
3037798	Undefined_Bond_Stereo_Count	0
101640759	Rotatable_Bond_Count	6
11639	Structure_Complexity	4.8
7095	Structure_Complexity	100
17963196	Total_Formal_Charge	0
68846936	Structure_Complexity	596
22842006	Structure_Complexity	808
57406717	Defined_Atom_Stereo_Count	0
20605239	Exact_Mass	85.052763847
28961	Rotatable_Bond_Count	0
12231	Exact_Mass	61.016378338
134692135	Isotope_Atom_Count	0
443881	Defined_Atom_Stereo_Count	6
61249	Undefined_Atom_Stereo_Count	1
59125088	Hydrogen_Bond_Donor_Count	5
145707274	Undefined_Bond_Stereo_Count	0
122389028	Mono_Isotopic_Weight	376.15220310
11355437	Non-hydrogen_Atom_Count	5
6378	Undefined_Atom_Stereo_Count	1
63036	Undefined_Bond_Stereo_Count	0
11305985	Hydrogen_Bond_Donor_Count	0
58071	Molecular_Weight	276.37
18696579	Structure_Complexity	44.5
44630251	Rotatable_Bond_Count	5
154108049	Structure_Complexity	156
66909	Hydrogen_Bond_Acceptor_Count	4
17520	Non-hydrogen_Atom_Count	10
4540	Undefined_Bond_Stereo_Count	0
89317	Rotatable_Bond_Count	3
22563961	Covalent_Unit_Count	1
44338517	TPSA	33.7
139088888	Total_Formal_Charge	0
6435993	Covalent_Unit_Count	2
6456015	Defined_Atom_Stereo_Count	1
68410	Non-hydrogen_Atom_Count	6
67691	Total_Formal_Charge	0
656777	Undefined_Atom_Stereo_Count	0
12059921	Undefined_Bond_Stereo_Count	0
6604909	Defined_Atom_Stereo_Count	1
135400456	Undefined_Bond_Stereo_Count	0
439298	Defined_Atom_Stereo_Count	12
55479	Non-hydrogen_Atom_Count	15
10631872	Isotope_Atom_Count	0
77507	Defined_Bond_Stereo_Count	0
6349	Covalent_Unit_Count	3
13661819	Mono_Isotopic_Weight	98.073164938
24759	TPSA	400
1990	Mono_Isotopic_Weight	75.032028402
656804	Tautomer_Count	40
12364760	Covalent_Unit_Count	1
17822053	Undefined_Bond_Stereo_Count	0
68162	Tautomer_Count	1
12105	TPSA	17.1
9949802	Exact_Mass	339.27734404
60336	Defined_Atom_Stereo_Count	0
131704	Mono_Isotopic_Weight	414.13146766
63686	Structure_Complexity	664
1413	Mono_Isotopic_Weight	320.23514488
688107	Rotatable_Bond_Count	2
145874935	Total_Formal_Charge	0
4369563	Rotatable_Bond_Count	2
135052535	Exact_Mass	116.047344113
9447938	Molecular_Weight	283.28
632910	Hydrogen_Bond_Acceptor_Count	1
158032	XLogP3	4.4
123676075	Isotope_Atom_Count	0
13685810	Undefined_Atom_Stereo_Count	1
11957669	Exact_Mass	255.1389920
180494	Rotatable_Bond_Count	2
16759310	Defined_Atom_Stereo_Count	0
1546	TPSA	119
59050128	Isotope_Atom_Count	0
24181099	Isotope_Atom_Count	0
91589	Molecular_Weight	204.65
129890070	Mono_Isotopic_Weight	348.9520720
16683	Hydrogen_Bond_Donor_Count	0
13235324	Undefined_Bond_Stereo_Count	0
163701	Covalent_Unit_Count	2
673970	Defined_Bond_Stereo_Count	0
55291451	Total_Formal_Charge	0
11009533	XLogP3-AA	2
14872976	Mono_Isotopic_Weight	112.074896272
9843089	Isotope_Atom_Count	0
85252	Rotatable_Bond_Count	4
68888	Mono_Isotopic_Weight	187.12084340
90737888	Isotope_Atom_Count	0
667639	Non-hydrogen_Atom_Count	18
13150	Tautomer_Count	1
84072504	Exact_Mass	113.047678466
53817503	XLogP3-AA	1.1
3045375	Mono_Isotopic_Weight	448.1553704
533840	XLogP3-AA	0.6
11137118	Molecular_Weight	109.13
17863	Covalent_Unit_Count	2
6955724	Structure_Complexity	402
7030	Defined_Bond_Stereo_Count	0
121881	Undefined_Bond_Stereo_Count	0
32283	Isotope_Atom_Count	0
53720955	Exact_Mass	109.052763847
44408641	Hydrogen_Bond_Donor_Count	2
8056	Structure_Complexity	17.5
92043507	Total_Formal_Charge	0
11304	Total_Formal_Charge	0
115739	Hydrogen_Bond_Acceptor_Count	3
25137901	Mono_Isotopic_Weight	908.36010511
79510	Undefined_Bond_Stereo_Count	0
129297096	Rotatable_Bond_Count	1
13568501	Mono_Isotopic_Weight	111.079647300
56670034	Mono_Isotopic_Weight	453.20524173
56928166	Undefined_Bond_Stereo_Count	0
11256587	Hydrogen_Bond_Acceptor_Count	4
11622909	Undefined_Bond_Stereo_Count	0
57435862	Undefined_Atom_Stereo_Count	0
78422638	Undefined_Bond_Stereo_Count	0
12248569	Covalent_Unit_Count	1
40127	Tautomer_Count	3
98521	Hydrogen_Bond_Donor_Count	1
139920	Structure_Complexity	41.7
7674	Tautomer_Count	1
549701	Rotatable_Bond_Count	0
15983549	Mono_Isotopic_Weight	454.22162007
7303	Undefined_Bond_Stereo_Count	0
135515430	Molecular_Weight	328.4
992	Total_Formal_Charge	0
2009	Hydrogen_Bond_Acceptor_Count	4
9548714	Total_Formal_Charge	0
87868	Undefined_Atom_Stereo_Count	0
201538	Mono_Isotopic_Weight	463.2489364
135424747	Undefined_Bond_Stereo_Count	0
124510	Non-hydrogen_Atom_Count	7
50108	Tautomer_Count	1
4640	Total_Formal_Charge	0
59503407	Molecular_Weight	193.16
12657448	Defined_Bond_Stereo_Count	0
135019886	Hydrogen_Bond_Donor_Count	8
6604858	Isotope_Atom_Count	0
28837	Molecular_Weight	334.1
6589	Rotatable_Bond_Count	1
6210	Undefined_Bond_Stereo_Count	0
92108	Rotatable_Bond_Count	0
13065896	Hydrogen_Bond_Donor_Count	0
44338969	Total_Formal_Charge	0
55603	Defined_Bond_Stereo_Count	0
85301	XLogP3	1.4
73653998	XLogP3-AA	0.4
41088	Undefined_Bond_Stereo_Count	0
54581	TPSA	106
136219154	Defined_Atom_Stereo_Count	0
121489236	Defined_Bond_Stereo_Count	0
146131	Structure_Complexity	228
11675994	Defined_Bond_Stereo_Count	0
136674	Total_Formal_Charge	0
97354	Isotope_Atom_Count	0
53674625	Mono_Isotopic_Weight	114.042927438
193989	Rotatable_Bond_Count	6
16722126	XLogP3-AA	2.1
249187	Defined_Bond_Stereo_Count	0
63950	Covalent_Unit_Count	1
136873	Isotope_Atom_Count	0
163199229	Defined_Atom_Stereo_Count	4
60028369	Mono_Isotopic_Weight	153.151749610
12712037	Defined_Bond_Stereo_Count	0
22160812	Defined_Bond_Stereo_Count	0
165675	Hydrogen_Bond_Acceptor_Count	1
70070	Undefined_Atom_Stereo_Count	0
6436541	TPSA	35.9
10895019	Defined_Bond_Stereo_Count	2
74904	Total_Formal_Charge	0
31515	Undefined_Bond_Stereo_Count	0
88483174	Undefined_Atom_Stereo_Count	1
58463204	Undefined_Atom_Stereo_Count	2
54739048	Total_Formal_Charge	0
15842094	Exact_Mass	705.63912
6158	Covalent_Unit_Count	1
147630	TPSA	24.1
5289143	Rotatable_Bond_Count	24
44338763	Defined_Bond_Stereo_Count	0
3033860	Hydrogen_Bond_Donor_Count	0
133025	Molecular_Weight	228.20
68739990	Structure_Complexity	104
21932619	Undefined_Bond_Stereo_Count	0
16628	Total_Formal_Charge	0
5355858	Mono_Isotopic_Weight	284.177630004
11319223	TPSA	121
3881	Defined_Bond_Stereo_Count	0
9743	Defined_Atom_Stereo_Count	0
439280	Exact_Mass	220.08479225
154141939	Hydrogen_Bond_Acceptor_Count	3
19935256	TPSA	78.1
12801	Molecular_Weight	162.14
60152109	Rotatable_Bond_Count	7
96420	Hydrogen_Bond_Donor_Count	1
59901542	Exact_Mass	19.0458011230
71555	Exact_Mass	217.0869564
89264894	Hydrogen_Bond_Acceptor_Count	2
9855445	Rotatable_Bond_Count	1
21675743	Molecular_Weight	100.16
10154060	TPSA	43.4
5373773	Hydrogen_Bond_Donor_Count	0
11693901	Rotatable_Bond_Count	0
19211	Exact_Mass	164.083729621
20058737	Total_Formal_Charge	0
17613	Total_Formal_Charge	0
3081349	Defined_Atom_Stereo_Count	0
9865	Tautomer_Count	1
155143	Rotatable_Bond_Count	10
64722979	Isotope_Atom_Count	0
13586	Mono_Isotopic_Weight	70.041864811
95069	Non-hydrogen_Atom_Count	17
70684821	TPSA	100
7839	XLogP3	2
6420096	Exact_Mass	47.037113783
17857	Mono_Isotopic_Weight	170.178298710
54684461	Hydrogen_Bond_Acceptor_Count	10
25007799	Molecular_Weight	411.5
13544016	TPSA	23.6
15559460	Rotatable_Bond_Count	4
47635	Exact_Mass	339.13313942
3727	Hydrogen_Bond_Acceptor_Count	1
63036	Exact_Mass	512.12098
20793238	Non-hydrogen_Atom_Count	7
56669107	Defined_Atom_Stereo_Count	0
80873	Undefined_Atom_Stereo_Count	0
668508	Defined_Bond_Stereo_Count	0
17435	Undefined_Bond_Stereo_Count	0
68365445	Hydrogen_Bond_Donor_Count	0
77572	Covalent_Unit_Count	1
10290744	Undefined_Bond_Stereo_Count	0
398592	Non-hydrogen_Atom_Count	19
60594	Defined_Bond_Stereo_Count	0
84647614	Isotope_Atom_Count	0
87869	Defined_Atom_Stereo_Count	2
49789564	Defined_Atom_Stereo_Count	0
12067680	Isotope_Atom_Count	0
72370	Undefined_Bond_Stereo_Count	0
62098	Defined_Atom_Stereo_Count	0
71308614	Hydrogen_Bond_Donor_Count	11
11970252	Mono_Isotopic_Weight	342.11621151
3613700	Molecular_Weight	204.05
4523964	Covalent_Unit_Count	1
53487990	Undefined_Bond_Stereo_Count	0
54079804	Isotope_Atom_Count	0
158294441	Exact_Mass	116.047344113
6453	Covalent_Unit_Count	1
53321036	Covalent_Unit_Count	1
43853	Mono_Isotopic_Weight	303.97114494
67299	Structure_Complexity	108
2099	Non-hydrogen_Atom_Count	22
11248738	Rotatable_Bond_Count	14
3006315	Hydrogen_Bond_Acceptor_Count	4
4849	Isotope_Atom_Count	0
3455	Defined_Atom_Stereo_Count	0
136762	Hydrogen_Bond_Donor_Count	1
142891	Rotatable_Bond_Count	3
494937	Hydrogen_Bond_Donor_Count	5
135540987	Exact_Mass	409.15974809
6713428	Hydrogen_Bond_Acceptor_Count	2
5319765	Defined_Atom_Stereo_Count	0
3032361	TPSA	64.4
649153	Molecular_Weight	455.5
263	Defined_Bond_Stereo_Count	0
517922	Total_Formal_Charge	0
6342	Non-hydrogen_Atom_Count	3
408	Isotope_Atom_Count	0
95258	Structure_Complexity	174
62875	Mono_Isotopic_Weight	304.0800974
16667743	Structure_Complexity	484
3208	Rotatable_Bond_Count	16
6400271	Total_Formal_Charge	0
5715107	Defined_Atom_Stereo_Count	0
162639137	Total_Formal_Charge	0
134338399	Covalent_Unit_Count	1
6388	Non-hydrogen_Atom_Count	5
16051931	Molecular_Weight	452.6
557495	Non-hydrogen_Atom_Count	7
177085	Undefined_Atom_Stereo_Count	0
101544	Undefined_Atom_Stereo_Count	0
16749605	Hydrogen_Bond_Acceptor_Count	1
12842606	Hydrogen_Bond_Acceptor_Count	2
5281162	Total_Formal_Charge	0
16498	Isotope_Atom_Count	0
3766	TPSA	0
92450317	Defined_Bond_Stereo_Count	2
5459765	Rotatable_Bond_Count	0
24202578	Hydrogen_Bond_Donor_Count	2
104866516	Hydrogen_Bond_Acceptor_Count	2
77412	Isotope_Atom_Count	0
2155128	Non-hydrogen_Atom_Count	31
672	Molecular_Weight	326.31
31492	Hydrogen_Bond_Acceptor_Count	2
23963	TPSA	0
58143010	TPSA	43.4
9950244	Rotatable_Bond_Count	4
1549237	Defined_Atom_Stereo_Count	0
70662473	Rotatable_Bond_Count	16
162883448	Covalent_Unit_Count	1
129653817	Structure_Complexity	98.2
71584541	Mono_Isotopic_Weight	399.16952493
5359353	Covalent_Unit_Count	1
9885355	Undefined_Atom_Stereo_Count	0
23689036	Rotatable_Bond_Count	0
159922	Molecular_Weight	112.06
96583	TPSA	73
12263	Hydrogen_Bond_Acceptor_Count	2
643327	Hydrogen_Bond_Donor_Count	2
15789248	Total_Formal_Charge	0
12053	Rotatable_Bond_Count	1
152932	Exact_Mass	288.14380491
44451124	Exact_Mass	577.27880059
64302	Structure_Complexity	1100
15411	Isotope_Atom_Count	0
25203400	Total_Formal_Charge	1
6441264	Molecular_Weight	1076.4
12244	XLogP3	1.1
71955	Structure_Complexity	278
65728	Defined_Bond_Stereo_Count	0
124031668	TPSA	26
137829	Isotope_Atom_Count	0
31256	Tautomer_Count	6
71684552	Covalent_Unit_Count	1
90444	Non-hydrogen_Atom_Count	25
27400	Non-hydrogen_Atom_Count	21
3085218	Structure_Complexity	345
56008	Structure_Complexity	710
11051610	XLogP3-AA	0.2
10429739	Defined_Bond_Stereo_Count	0
6440554	Defined_Atom_Stereo_Count	3
7005	Exact_Mass	144.057514874
451415	Covalent_Unit_Count	1
5709759	Undefined_Bond_Stereo_Count	0
5702285	Mono_Isotopic_Weight	263.0843696
11983193	Isotope_Atom_Count	0
85728	Exact_Mass	162.068079557
13761354	Molecular_Weight	112.17
10239769	Isotope_Atom_Count	0
5284604	Undefined_Atom_Stereo_Count	0
12415	Undefined_Atom_Stereo_Count	0
21830191	Covalent_Unit_Count	1
1640	Structure_Complexity	166
289151	Mono_Isotopic_Weight	204.187800766
28343	Tautomer_Count	1
54581904	Covalent_Unit_Count	1
8309	Defined_Bond_Stereo_Count	0
4516	Isotope_Atom_Count	0
89219185	Structure_Complexity	61.1
57398256	Covalent_Unit_Count	1
16700308	Hydrogen_Bond_Donor_Count	0
6917795	Mono_Isotopic_Weight	406.27192431
72034	Covalent_Unit_Count	2
16238	Rotatable_Bond_Count	1
2783279	TPSA	12.9
11661	Defined_Atom_Stereo_Count	0
224	Mono_Isotopic_Weight	347.06308480
6439276	Covalent_Unit_Count	2
159661	Covalent_Unit_Count	2
66855878	Non-hydrogen_Atom_Count	8
2779024	Isotope_Atom_Count	0
145359725	Mono_Isotopic_Weight	101.047678466
24774912	Defined_Bond_Stereo_Count	0
3146673	Defined_Atom_Stereo_Count	0
108002	Structure_Complexity	820
57306415	Undefined_Atom_Stereo_Count	0
57398254	Undefined_Bond_Stereo_Count	0
640194	Molecular_Weight	234.29
3045402	Structure_Complexity	303
11668120	Defined_Bond_Stereo_Count	0
137642	XLogP3-AA	1
32966	Undefined_Bond_Stereo_Count	0
12510987	Hydrogen_Bond_Acceptor_Count	2
6018	Rotatable_Bond_Count	4
45358055	Defined_Atom_Stereo_Count	4
15107	Isotope_Atom_Count	0
2775	Defined_Bond_Stereo_Count	0
97226	Molecular_Weight	364.4
62842	Non-hydrogen_Atom_Count	11
88578918	Undefined_Atom_Stereo_Count	0
4330531	Non-hydrogen_Atom_Count	27
58375	Defined_Bond_Stereo_Count	0
24228	Non-hydrogen_Atom_Count	22
11789157	Defined_Bond_Stereo_Count	0
10761	Total_Formal_Charge	0
14079973	Undefined_Atom_Stereo_Count	1
13555	Hydrogen_Bond_Acceptor_Count	0
117859259	Total_Formal_Charge	0
97959	XLogP3-AA	2.2
140152869	XLogP3-AA	1.1
1225	Covalent_Unit_Count	1
81803874	Defined_Atom_Stereo_Count	0
38622	Tautomer_Count	2
163325	Total_Formal_Charge	0
65216	Exact_Mass	422.1608497
126083	Hydrogen_Bond_Acceptor_Count	5
44392103	Structure_Complexity	651
9950094	Molecular_Weight	345.8
44349928	Exact_Mass	239.11575802
776461	Total_Formal_Charge	0
9754	Mono_Isotopic_Weight	201.96548
6580	Rotatable_Bond_Count	1
6436055	Undefined_Atom_Stereo_Count	0
520168	Defined_Bond_Stereo_Count	0
13245	Total_Formal_Charge	0
2982	Structure_Complexity	643
524215	Mono_Isotopic_Weight	106.078250319
54572926	TPSA	53.5
14866	Molecular_Weight	223.27
135564632	Exact_Mass	289.0618043
107217	Undefined_Bond_Stereo_Count	0
22011941	Total_Formal_Charge	0
16158473	Hydrogen_Bond_Donor_Count	52
10887840	Defined_Atom_Stereo_Count	0
60059	Defined_Atom_Stereo_Count	0
6293	Covalent_Unit_Count	1
397053	Mono_Isotopic_Weight	511.9605092
72916	Hydrogen_Bond_Acceptor_Count	2
142859	Undefined_Atom_Stereo_Count	0
79856	Total_Formal_Charge	0
57077234	Total_Formal_Charge	0
37933	Rotatable_Bond_Count	11
157736	Defined_Bond_Stereo_Count	0
56654130	TPSA	77.5
5358902	Hydrogen_Bond_Acceptor_Count	4
3650	Mono_Isotopic_Weight	148.02842019
8070	Covalent_Unit_Count	1
544596	Rotatable_Bond_Count	3
20221840	TPSA	67.8
46631	Total_Formal_Charge	0
2724588	Undefined_Bond_Stereo_Count	0
172285	Isotope_Atom_Count	0
54543950	Defined_Bond_Stereo_Count	0
20670051	Molecular_Weight	318.8
7695	Total_Formal_Charge	0
16760703	TPSA	40.1
135414248	Structure_Complexity	643
533854	Hydrogen_Bond_Donor_Count	1
137837	Defined_Atom_Stereo_Count	0
12388	Hydrogen_Bond_Donor_Count	0
248	Isotope_Atom_Count	0
4811	Defined_Bond_Stereo_Count	0
91589206	Covalent_Unit_Count	1
13783	Tautomer_Count	1
66986	Molecular_Weight	246.81
12284127	Isotope_Atom_Count	0
311434	Hydrogen_Bond_Donor_Count	2
20387223	Non-hydrogen_Atom_Count	7
5476374	Defined_Bond_Stereo_Count	0
11517780	Hydrogen_Bond_Acceptor_Count	7
641543	Defined_Bond_Stereo_Count	0
25271887	Isotope_Atom_Count	0
24901348	Non-hydrogen_Atom_Count	35
5904	Rotatable_Bond_Count	4
13003788	Undefined_Atom_Stereo_Count	5
5363527	Exact_Mass	226.193280068
6436117	Undefined_Atom_Stereo_Count	0
9888347	Rotatable_Bond_Count	6
85491	Covalent_Unit_Count	1
79069	TPSA	20.2
79005	Non-hydrogen_Atom_Count	5
5353843	Defined_Bond_Stereo_Count	1
12986478	Structure_Complexity	103
71894	Hydrogen_Bond_Acceptor_Count	4
77016	Covalent_Unit_Count	1
64154	Mono_Isotopic_Weight	170.0862282
165881712	Defined_Atom_Stereo_Count	0
1257	Defined_Bond_Stereo_Count	0
86856	Tautomer_Count	1
268	Mono_Isotopic_Weight	1149.35159721
87480477	Rotatable_Bond_Count	3
9955836	XLogP3-AA	0.7
16049088	XLogP3-AA	2.9
135608329	Defined_Atom_Stereo_Count	0
51397976	Isotope_Atom_Count	0
2724123	Mono_Isotopic_Weight	111.068413911
67482753	TPSA	59.2
12275055	Rotatable_Bond_Count	0
93074	Molecular_Weight	101.15
11935	Total_Formal_Charge	0
3899	Rotatable_Bond_Count	2
63546	Non-hydrogen_Atom_Count	38
36688153	Exact_Mass	288.175224706
60155100	Defined_Atom_Stereo_Count	0
5743396	Defined_Bond_Stereo_Count	0
11291	Total_Formal_Charge	0
14821	TPSA	32.1
123359989	Molecular_Weight	114.10
5333	Defined_Bond_Stereo_Count	0
1326	Total_Formal_Charge	0
9403	Non-hydrogen_Atom_Count	29
55276371	Defined_Atom_Stereo_Count	0
47965	Non-hydrogen_Atom_Count	25
95299	Defined_Bond_Stereo_Count	0
2063927	Rotatable_Bond_Count	1
19155	Mono_Isotopic_Weight	82.9983460
129651751	Defined_Atom_Stereo_Count	0
5225092	Undefined_Bond_Stereo_Count	0
2422	Covalent_Unit_Count	1
556487	Isotope_Atom_Count	0
91497276	Covalent_Unit_Count	1
133679779	Total_Formal_Charge	0
6918249	Rotatable_Bond_Count	1
85922476	TPSA	20.2
116701105	Molecular_Weight	104.15
11329359	Hydrogen_Bond_Acceptor_Count	9
58035420	Structure_Complexity	103
40030	Undefined_Atom_Stereo_Count	0
57782	Hydrogen_Bond_Acceptor_Count	4
165412951	Covalent_Unit_Count	1
4573	Tautomer_Count	1
42608371	Mono_Isotopic_Weight	287.24604391
6978	Structure_Complexity	155
704233	Undefined_Atom_Stereo_Count	0
10285780	Undefined_Atom_Stereo_Count	1
5610	XLogP3	1.1
14410	Rotatable_Bond_Count	2
6818	Molecular_Weight	334.4
44456859	Covalent_Unit_Count	1
340026	Covalent_Unit_Count	1
6918331	Defined_Bond_Stereo_Count	0
166486721	Structure_Complexity	121
53426560	Defined_Bond_Stereo_Count	0
32339	Defined_Bond_Stereo_Count	0
24901349	Covalent_Unit_Count	1
4552	Molecular_Weight	362.23
93286	Defined_Bond_Stereo_Count	0
24957182	Mono_Isotopic_Weight	603.20933888
99058	Exact_Mass	260.02971899
8395	Structure_Complexity	492
442070	Non-hydrogen_Atom_Count	26
1276	Defined_Bond_Stereo_Count	0
129712078	Undefined_Atom_Stereo_Count	2
11001426	Undefined_Bond_Stereo_Count	0
20309174	Defined_Bond_Stereo_Count	0
987917	Undefined_Atom_Stereo_Count	0
686703	Mono_Isotopic_Weight	165.078978594
69046	Hydrogen_Bond_Donor_Count	2
12408	Structure_Complexity	218
3773	Hydrogen_Bond_Acceptor_Count	3
136444	Exact_Mass	102.068079557
25213	Defined_Atom_Stereo_Count	0
565082	Defined_Atom_Stereo_Count	0
9844225	Mono_Isotopic_Weight	405.1343006
2826	Rotatable_Bond_Count	5
84647602	Mono_Isotopic_Weight	97.052763847
23345862	Total_Formal_Charge	0
15612	Hydrogen_Bond_Donor_Count	0
20254	Hydrogen_Bond_Acceptor_Count	1
15951509	XLogP3-AA	2.4
650572	Defined_Bond_Stereo_Count	0
85538	Isotope_Atom_Count	0
9839657	Undefined_Bond_Stereo_Count	0
34665	Isotope_Atom_Count	0
10666310	Defined_Atom_Stereo_Count	5
69046	Structure_Complexity	284
13545127	TPSA	72.3
1219914	XLogP3-AA	3.5
6024	Covalent_Unit_Count	1
25778	Non-hydrogen_Atom_Count	20
11524	TPSA	20.2
3871454	Structure_Complexity	548
14815775	Exact_Mass	111.068413911
76192	Total_Formal_Charge	0
123805	TPSA	380
31254	Hydrogen_Bond_Donor_Count	1
154983	Tautomer_Count	1
62398142	Molecular_Weight	110.16
3000506	Defined_Atom_Stereo_Count	2
362	TPSA	40.5
86122	Tautomer_Count	2
5284592	XLogP3-AA	6.4
54575456	XLogP3-AA	1.3
6440175	Molecular_Weight	585.7
36034	Non-hydrogen_Atom_Count	23
25171648	Mono_Isotopic_Weight	492.22737416
13256	Hydrogen_Bond_Donor_Count	0
126280	Isotope_Atom_Count	0
8655	Undefined_Bond_Stereo_Count	0
7097	Undefined_Atom_Stereo_Count	0
62856	Undefined_Bond_Stereo_Count	0
11182	Undefined_Atom_Stereo_Count	0
49862517	TPSA	70.7
253878	Defined_Atom_Stereo_Count	0
72739321	Molecular_Weight	96.13
58125087	Molecular_Weight	109.13
4912932	Structure_Complexity	127
67948733	Defined_Atom_Stereo_Count	0
54725318	Undefined_Bond_Stereo_Count	0
107428	Molecular_Weight	180.16
11546350	Undefined_Atom_Stereo_Count	0
8757	Defined_Bond_Stereo_Count	0
70128954	Undefined_Bond_Stereo_Count	0
71458868	XLogP3-AA	5.2
87929779	Total_Formal_Charge	0
10442251	Structure_Complexity	214
5282387	Undefined_Bond_Stereo_Count	0
21874242	Hydrogen_Bond_Acceptor_Count	13
970440	Undefined_Bond_Stereo_Count	0
499953	Isotope_Atom_Count	0
6992788	Undefined_Bond_Stereo_Count	0
3074943	Tautomer_Count	6
3720192	Undefined_Atom_Stereo_Count	0
11319053	Undefined_Bond_Stereo_Count	0
20725980	Covalent_Unit_Count	1
13462200	Hydrogen_Bond_Donor_Count	1
3780	Hydrogen_Bond_Acceptor_Count	8
2723650	TPSA	56.2
151707353	Total_Formal_Charge	0
69826668	XLogP3-AA	5.1
6857537	Defined_Atom_Stereo_Count	2
10219385	Exact_Mass	97.052763847
24721276	Hydrogen_Bond_Donor_Count	1
57521	Exact_Mass	564.16787042
616	TPSA	185
7890	Hydrogen_Bond_Donor_Count	0
12246933	Hydrogen_Bond_Acceptor_Count	3
177700	Rotatable_Bond_Count	0
24477	Rotatable_Bond_Count	0
25042	Covalent_Unit_Count	1
57394709	Undefined_Bond_Stereo_Count	0
652	Tautomer_Count	1
43815	Defined_Atom_Stereo_Count	2
12676503	Hydrogen_Bond_Donor_Count	0
440707	Exact_Mass	346.21440943
123208701	Rotatable_Bond_Count	1
36283	Hydrogen_Bond_Acceptor_Count	4
142959	Non-hydrogen_Atom_Count	8
135512673	Covalent_Unit_Count	1
89202746	Total_Formal_Charge	0
8827	Total_Formal_Charge	0
6509724	Exact_Mass	534.2132792
53316407	Covalent_Unit_Count	2
20313	Isotope_Atom_Count	0
122174240	Hydrogen_Bond_Donor_Count	2
55288089	Structure_Complexity	118
1341	Mono_Isotopic_Weight	378.24062418
21719209	Hydrogen_Bond_Acceptor_Count	3
71341	Mono_Isotopic_Weight	349.01123610
12394845	Mono_Isotopic_Weight	108.093900383
71795	Exact_Mass	324.183778013
30337	XLogP3-AA	0.6
154701779	Isotope_Atom_Count	0
712421	Isotope_Atom_Count	0
76997	Non-hydrogen_Atom_Count	15
15447	Defined_Atom_Stereo_Count	0
47445	Total_Formal_Charge	0
64658	Covalent_Unit_Count	2
153380590	Mono_Isotopic_Weight	115.099714038
24883467	Tautomer_Count	1
54925	TPSA	115
193602	Hydrogen_Bond_Acceptor_Count	3
9150	Structure_Complexity	282
5486209	Molecular_Weight	197.24
23010	Hydrogen_Bond_Acceptor_Count	2
21879319	TPSA	55.4
8765	Hydrogen_Bond_Donor_Count	2
107744	Molecular_Weight	277.08
21302490	XLogP3-AA	3.8
809622	TPSA	82.9
5377254	Total_Formal_Charge	0
135678081	Isotope_Atom_Count	0
3641960	Exact_Mass	226.9783716
131167766	Molecular_Weight	109.17
11009	Covalent_Unit_Count	2
10966	XLogP3	1.5
54418364	Isotope_Atom_Count	0
101630689	Undefined_Atom_Stereo_Count	0
698364	Covalent_Unit_Count	1
90127780	Hydrogen_Bond_Acceptor_Count	1
37464	Undefined_Bond_Stereo_Count	0
44449087	Total_Formal_Charge	0
26430	Exact_Mass	344.13809112
11398	Tautomer_Count	1
50990393	TPSA	320
15644502	Isotope_Atom_Count	0
3033817	Undefined_Bond_Stereo_Count	0
91686	Total_Formal_Charge	0
91148	Isotope_Atom_Count	0
10823	TPSA	12.9
30819	Hydrogen_Bond_Donor_Count	4
23690430	Exact_Mass	190.01028425
141140139	Covalent_Unit_Count	1
21325324	Hydrogen_Bond_Acceptor_Count	2
127	XLogP3	0.8
6735	Defined_Atom_Stereo_Count	0
9008	Rotatable_Bond_Count	8
101210282	Mono_Isotopic_Weight	90.0469501914
25200298	Defined_Bond_Stereo_Count	4
53319933	Exact_Mass	242.05138412
11335094	Undefined_Bond_Stereo_Count	0
5792	Rotatable_Bond_Count	2
46836890	TPSA	84.9
6992284	TPSA	31.8
91555191	Undefined_Atom_Stereo_Count	2
26117	Undefined_Atom_Stereo_Count	0
4366894	Hydrogen_Bond_Acceptor_Count	0
68216	Non-hydrogen_Atom_Count	16
23532162	Hydrogen_Bond_Acceptor_Count	1
92279	Total_Formal_Charge	0
93130	Defined_Bond_Stereo_Count	0
65557	Structure_Complexity	375
137185902	Defined_Bond_Stereo_Count	7
54023646	Rotatable_Bond_Count	1
8288	Non-hydrogen_Atom_Count	38
91801202	Undefined_Atom_Stereo_Count	0
76966897	Mono_Isotopic_Weight	1608.51510
15287	Exact_Mass	104.083729621
9928397	Hydrogen_Bond_Donor_Count	1
53465849	Molecular_Weight	401.5
67108443	Rotatable_Bond_Count	6
58079819	Hydrogen_Bond_Acceptor_Count	1
113	Undefined_Bond_Stereo_Count	0
95434	Defined_Atom_Stereo_Count	0
164034646	TPSA	47.6
712377	Structure_Complexity	160
8507	Covalent_Unit_Count	2
9820186	TPSA	96.6
12734620	Molecular_Weight	126.20
963424	Hydrogen_Bond_Donor_Count	1
13858	Molecular_Weight	109.13
69840958	Non-hydrogen_Atom_Count	7
555192	Rotatable_Bond_Count	2
44392161	Mono_Isotopic_Weight	451.262362685
73351	Hydrogen_Bond_Donor_Count	4
57340472	Undefined_Bond_Stereo_Count	0
53766125	Hydrogen_Bond_Donor_Count	2
60789	Defined_Bond_Stereo_Count	0
406167	Undefined_Atom_Stereo_Count	0
141697522	Hydrogen_Bond_Acceptor_Count	6
15510	Molecular_Weight	102.20
29625	Defined_Bond_Stereo_Count	0
11447	XLogP3-AA	4
108032	Isotope_Atom_Count	0
91664	Structure_Complexity	260
136122	Tautomer_Count	1
53948566	Rotatable_Bond_Count	7
694678	Non-hydrogen_Atom_Count	22
22078	Hydrogen_Bond_Acceptor_Count	2
21872496	Defined_Bond_Stereo_Count	0
66612869	Exact_Mass	114.104465066
3980	Defined_Bond_Stereo_Count	0
2394	Molecular_Weight	1157.2
6926378	Exact_Mass	168.102453689
99748	Structure_Complexity	106
88866	Structure_Complexity	299
15311935	Covalent_Unit_Count	1
21946437	Undefined_Bond_Stereo_Count	0
139593411	Undefined_Bond_Stereo_Count	0
23354329	Undefined_Atom_Stereo_Count	0
11711078	Non-hydrogen_Atom_Count	26
6673	Rotatable_Bond_Count	0
6918653	XLogP3-AA	2.4
124770286	Non-hydrogen_Atom_Count	47
67989199	Defined_Bond_Stereo_Count	0
1811	TPSA	138
205324	Mono_Isotopic_Weight	110.048012819
11673085	Hydrogen_Bond_Donor_Count	2
9643	Defined_Bond_Stereo_Count	0
36131	Non-hydrogen_Atom_Count	24
2966	Hydrogen_Bond_Donor_Count	2
5352543	Rotatable_Bond_Count	9
222285	Total_Formal_Charge	0
63198	Structure_Complexity	344
10130270	TPSA	20.2
7686	Total_Formal_Charge	0
86751	Molecular_Weight	158.28
9797657	Hydrogen_Bond_Donor_Count	1
73513	Covalent_Unit_Count	1
5228468	Tautomer_Count	1
129816	Structure_Complexity	567
16436	Hydrogen_Bond_Acceptor_Count	2
55288133	Defined_Bond_Stereo_Count	0
136874	Defined_Atom_Stereo_Count	0
14965861	Defined_Bond_Stereo_Count	0
1340	Covalent_Unit_Count	1
44925	XLogP3-AA	4
71374162	Undefined_Bond_Stereo_Count	1
16211286	Isotope_Atom_Count	0
101944071	Non-hydrogen_Atom_Count	22
97127	Structure_Complexity	290
70002683	Exact_Mass	98.036779430
9692	Defined_Bond_Stereo_Count	0
5252324	TPSA	6.5
11212948	Exact_Mass	444.06121838
134812477	Hydrogen_Bond_Donor_Count	4
13635	Rotatable_Bond_Count	1
23673837	Hydrogen_Bond_Donor_Count	0
15375	Structure_Complexity	73.7
8087	Rotatable_Bond_Count	4
177	Exact_Mass	44.026214747
17745	Total_Formal_Charge	0
13460453	Hydrogen_Bond_Donor_Count	1
138107644	Hydrogen_Bond_Donor_Count	5
449085	Molecular_Weight	124.08
230076	Hydrogen_Bond_Donor_Count	11
3001	Molecular_Weight	372.5
42079	TPSA	32.3
19039	Hydrogen_Bond_Acceptor_Count	18
28003	Defined_Bond_Stereo_Count	0
45139106	Hydrogen_Bond_Acceptor_Count	8
21696506	Exact_Mass	109.03884512
695	Rotatable_Bond_Count	4
11179267	Hydrogen_Bond_Acceptor_Count	4
5503	Defined_Bond_Stereo_Count	0
18733	Total_Formal_Charge	1
26560	Molecular_Weight	358.5
72959169	Molecular_Weight	516.6
54587656	Covalent_Unit_Count	1
5479527	Defined_Atom_Stereo_Count	2
69851796	Total_Formal_Charge	0
65802	Undefined_Bond_Stereo_Count	0
26191	TPSA	49.7
30097	Undefined_Bond_Stereo_Count	0
33377	Hydrogen_Bond_Acceptor_Count	2
6918558	Hydrogen_Bond_Donor_Count	1
9907842	Tautomer_Count	1
160565	Non-hydrogen_Atom_Count	21
9939892	Tautomer_Count	4
439750	Total_Formal_Charge	0
76356	Hydrogen_Bond_Donor_Count	1
4126474	Defined_Atom_Stereo_Count	0
24766296	Defined_Atom_Stereo_Count	0
520217	Defined_Atom_Stereo_Count	0
626738	Rotatable_Bond_Count	5
390986	Isotope_Atom_Count	0
9571109	Exact_Mass	395.068258
160765	Tautomer_Count	1
25295	Defined_Bond_Stereo_Count	0
440918	Structure_Complexity	98.5
153627081	Molecular_Weight	102.14
131632500	Non-hydrogen_Atom_Count	23
13346655	Hydrogen_Bond_Acceptor_Count	2
60196363	Exact_Mass	415.21474379
24896135	Covalent_Unit_Count	1
78090	Defined_Atom_Stereo_Count	0
93089	Mono_Isotopic_Weight	412.24947478
49853967	Mono_Isotopic_Weight	392.08644947
88715	Covalent_Unit_Count	1
44338510	Defined_Bond_Stereo_Count	0
2021	Undefined_Bond_Stereo_Count	0
146159752	Mono_Isotopic_Weight	422.36670574
54561872	Defined_Atom_Stereo_Count	0
21916	Hydrogen_Bond_Acceptor_Count	2
4680	Tautomer_Count	5
18442760	Defined_Atom_Stereo_Count	0
70399533	Total_Formal_Charge	0
2794133	Covalent_Unit_Count	1
71586775	Molecular_Weight	360.31
5288725	TPSA	49.3
61293	TPSA	46.5
23677832	Structure_Complexity	158
65926	Molecular_Weight	204.27
135406870	Hydrogen_Bond_Acceptor_Count	3
5311067	Rotatable_Bond_Count	2
5746387	Isotope_Atom_Count	0
42070	Isotope_Atom_Count	0
13808253	Molecular_Weight	100.12
13036911	Isotope_Atom_Count	0
139338	Mono_Isotopic_Weight	64.0313001276
88598	Total_Formal_Charge	0
520098	Hydrogen_Bond_Donor_Count	0
60956	Defined_Bond_Stereo_Count	0
74318	Structure_Complexity	191
115149	Exact_Mass	586.16864101
167266	Hydrogen_Bond_Donor_Count	2
65905	Non-hydrogen_Atom_Count	23
11727234	XLogP3-AA	3
2058	Exact_Mass	322.13174244
7566942	Defined_Atom_Stereo_Count	10
22341858	Molecular_Weight	86.14
74633	Rotatable_Bond_Count	5
7105	Tautomer_Count	1
85979179	Molecular_Weight	83.09
65388	TPSA	68.4
10462961	Exact_Mass	783.40948040
873450	Hydrogen_Bond_Acceptor_Count	4
4260	Hydrogen_Bond_Acceptor_Count	4
1549097	Undefined_Atom_Stereo_Count	0
104553443	Defined_Atom_Stereo_Count	0
1099	Structure_Complexity	18.8
11595431	Total_Formal_Charge	0
139341721	XLogP3-AA	1
613365	Total_Formal_Charge	0
85608271	Non-hydrogen_Atom_Count	8
16656889	Covalent_Unit_Count	1
9759	Covalent_Unit_Count	1
178096	Hydrogen_Bond_Acceptor_Count	2
71453775	Non-hydrogen_Atom_Count	33
7499	Non-hydrogen_Atom_Count	8
146682529	Defined_Atom_Stereo_Count	2
123288617	Undefined_Bond_Stereo_Count	0
213021	TPSA	52.3
3052772	Covalent_Unit_Count	1
447905	Non-hydrogen_Atom_Count	41
12295520	Molecular_Weight	110.16
54269666	Mono_Isotopic_Weight	85.089149355
4264	Hydrogen_Bond_Donor_Count	4
796414	Hydrogen_Bond_Acceptor_Count	3
45479834	Defined_Bond_Stereo_Count	0
135578046	Total_Formal_Charge	0
21058	Total_Formal_Charge	0
5359484	Exact_Mass	289.0861010
38878	Undefined_Bond_Stereo_Count	0
60150330	Hydrogen_Bond_Acceptor_Count	2
7594067	Structure_Complexity	458
400010	Rotatable_Bond_Count	1
42710	Molecular_Weight	361.9
5362736	Isotope_Atom_Count	0
14067844	Molecular_Weight	111.10
135404289	Defined_Atom_Stereo_Count	0
15765	Hydrogen_Bond_Donor_Count	1
196445	Undefined_Atom_Stereo_Count	0
112680	Molecular_Weight	100.16
16134409	Structure_Complexity	4220
23664980	Mono_Isotopic_Weight	456.09671647
68226	Exact_Mass	335.89723
16454	Exact_Mass	101.047678466
24181476	Rotatable_Bond_Count	0
6429029	Undefined_Atom_Stereo_Count	1
124769750	Molecular_Weight	284.35
590581	Hydrogen_Bond_Donor_Count	0
66417	Hydrogen_Bond_Acceptor_Count	3
3963	Defined_Atom_Stereo_Count	0
19962896	Exact_Mass	96.068748264
3300	Covalent_Unit_Count	1
44266427	Mono_Isotopic_Weight	282.14672380
154106457	Hydrogen_Bond_Donor_Count	1
45749	Isotope_Atom_Count	0
135424747	Exact_Mass	676.11560492
448965	TPSA	97.3
715	Undefined_Bond_Stereo_Count	0
102004571	Isotope_Atom_Count	0
62706165	Structure_Complexity	822
5735	Covalent_Unit_Count	1
3249	Molecular_Weight	396.6
73537	Covalent_Unit_Count	1
13974331	Exact_Mass	112.052429494
44392111	Covalent_Unit_Count	1
13908	Exact_Mass	216.02450067
77935	Covalent_Unit_Count	1
11235360	Total_Formal_Charge	0
19966840	Hydrogen_Bond_Acceptor_Count	1
6917839	Isotope_Atom_Count	0
48955	Rotatable_Bond_Count	10
111727	Structure_Complexity	183
18	Undefined_Bond_Stereo_Count	0
8525	Defined_Atom_Stereo_Count	0
41462	Hydrogen_Bond_Donor_Count	1
5899	Mono_Isotopic_Weight	180.01466183
751826	Covalent_Unit_Count	1
23620992	TPSA	417
20259185	Rotatable_Bond_Count	0
3033983	Isotope_Atom_Count	0
6926437	Covalent_Unit_Count	1
11643997	Structure_Complexity	137
135550179	Undefined_Atom_Stereo_Count	0
67233382	Undefined_Bond_Stereo_Count	0
6662	Undefined_Bond_Stereo_Count	0
6343	Rotatable_Bond_Count	0
24956	Hydrogen_Bond_Acceptor_Count	0
819109	XLogP3-AA	1.7
54144657	Defined_Bond_Stereo_Count	0
13037933	Total_Formal_Charge	0
2734680	Total_Formal_Charge	0
3265	Isotope_Atom_Count	0
119544	Hydrogen_Bond_Acceptor_Count	3
26462	TPSA	29.5
361762	Covalent_Unit_Count	1
2588	Structure_Complexity	1070
22491624	Exact_Mass	111.01427034
66117	Defined_Bond_Stereo_Count	0
53316386	Structure_Complexity	823
22061693	Non-hydrogen_Atom_Count	8
6767	Molecular_Weight	350.4
5362527	Non-hydrogen_Atom_Count	14
155713	XLogP3	0.8
11656518	Covalent_Unit_Count	1
5473268	Non-hydrogen_Atom_Count	27
68366899	Structure_Complexity	382
54742	TPSA	62
519247	Total_Formal_Charge	0
46485	Rotatable_Bond_Count	9
71117	Undefined_Atom_Stereo_Count	0
70262	XLogP3-AA	1.3
107807	Defined_Bond_Stereo_Count	0
16141	Hydrogen_Bond_Donor_Count	0
92154	Rotatable_Bond_Count	1
21285	Covalent_Unit_Count	2
118208260	Exact_Mass	109.016378338
66726	Undefined_Bond_Stereo_Count	0
47759	Exact_Mass	382.15624311
91322204	Total_Formal_Charge	0
9920369	Hydrogen_Bond_Acceptor_Count	2
22184652	Rotatable_Bond_Count	5
83390	Exact_Mass	111.104799419
15652148	Undefined_Atom_Stereo_Count	0
3037234	Total_Formal_Charge	0
83904773	Total_Formal_Charge	0
11450633	Defined_Bond_Stereo_Count	0
721861	Rotatable_Bond_Count	5
15816	Isotope_Atom_Count	0
18422690	Defined_Atom_Stereo_Count	0
68944676	Covalent_Unit_Count	1
20470942	XLogP3-AA	0.4
7938	Non-hydrogen_Atom_Count	8
14810122	Structure_Complexity	109
33613	Covalent_Unit_Count	1
59503411	Rotatable_Bond_Count	1
21545139	Isotope_Atom_Count	0
984454	Structure_Complexity	738
77011628	Defined_Atom_Stereo_Count	0
9939892	XLogP3-AA	7.1
53297414	Undefined_Atom_Stereo_Count	2
163090692	Rotatable_Bond_Count	11
53326857	XLogP3-AA	2.3
15496999	Non-hydrogen_Atom_Count	7
23649245	Undefined_Atom_Stereo_Count	0
9888484	Hydrogen_Bond_Donor_Count	1
9955534	Undefined_Bond_Stereo_Count	0
443376	Rotatable_Bond_Count	24
161973	Structure_Complexity	257
21902132	Covalent_Unit_Count	1
100937012	Rotatable_Bond_Count	0
72926	Structure_Complexity	215
180559	TPSA	84.6
67439664	Undefined_Atom_Stereo_Count	0
56927879	Exact_Mass	1442.70951898
15633846	Non-hydrogen_Atom_Count	8
13263	Molecular_Weight	227.33
57874	Tautomer_Count	2
637668	Defined_Atom_Stereo_Count	0
9955015	Structure_Complexity	453
156592059	Structure_Complexity	1840
54173442	Isotope_Atom_Count	0
70144	Undefined_Atom_Stereo_Count	0
99416	Hydrogen_Bond_Donor_Count	2
25273208	Hydrogen_Bond_Acceptor_Count	3
11768523	Undefined_Bond_Stereo_Count	0
15906386	Undefined_Bond_Stereo_Count	0
11440685	TPSA	103
4180	Structure_Complexity	236
5347	Exact_Mass	820.53704916
17745	Undefined_Atom_Stereo_Count	1
208841	Undefined_Atom_Stereo_Count	0
38034	Non-hydrogen_Atom_Count	15
87155	Rotatable_Bond_Count	3
16213872	Defined_Bond_Stereo_Count	0
34388	Total_Formal_Charge	0
11496886	Undefined_Atom_Stereo_Count	0
17827145	Non-hydrogen_Atom_Count	7
12302695	Hydrogen_Bond_Acceptor_Count	11
6328594	Undefined_Atom_Stereo_Count	0
86277	Defined_Bond_Stereo_Count	0
102538	Undefined_Atom_Stereo_Count	1
44909	Exact_Mass	253.06774
91133104	Structure_Complexity	72.2
9274	Mono_Isotopic_Weight	185.99380893
86764	Exact_Mass	202.12050905
97982	Undefined_Bond_Stereo_Count	0
43295	Total_Formal_Charge	0
12978170	Exact_Mass	96.093900383
67522	Total_Formal_Charge	0
7247	Covalent_Unit_Count	1
24883444	Total_Formal_Charge	0
304016	Isotope_Atom_Count	0
54758216	Structure_Complexity	741
91847008	Non-hydrogen_Atom_Count	23
14846	Covalent_Unit_Count	1
58506875	Covalent_Unit_Count	1
2723787	Rotatable_Bond_Count	0
452548	Hydrogen_Bond_Acceptor_Count	14
46231497	Exact_Mass	386.18550935
14871	Rotatable_Bond_Count	14
56991328	Defined_Bond_Stereo_Count	0
67246787	Non-hydrogen_Atom_Count	29
133611834	Total_Formal_Charge	0
698931	Undefined_Atom_Stereo_Count	0
4345	Molecular_Weight	361.5
102032439	TPSA	68.4
69333614	Structure_Complexity	66.7
146156882	Undefined_Bond_Stereo_Count	0
205970	TPSA	42.8
11111	Rotatable_Bond_Count	0
15510	Defined_Atom_Stereo_Count	0
43184	Structure_Complexity	190
50309	Tautomer_Count	3
5195	Undefined_Atom_Stereo_Count	1
43139	Isotope_Atom_Count	0
52942581	Hydrogen_Bond_Acceptor_Count	3
439192	Isotope_Atom_Count	0
185617	Hydrogen_Bond_Donor_Count	7
87714328	Undefined_Atom_Stereo_Count	1
163883593	Mono_Isotopic_Weight	111.079647300
1412	Total_Formal_Charge	0
13059052	Hydrogen_Bond_Donor_Count	2
5317426	Undefined_Bond_Stereo_Count	0
2724032	Hydrogen_Bond_Donor_Count	1
139692	TPSA	0
9929138	Covalent_Unit_Count	2
12882493	Exact_Mass	112.088815002
65944	Mono_Isotopic_Weight	244.05177804
139771583	Structure_Complexity	118
16102853	Defined_Atom_Stereo_Count	1
6931238	Hydrogen_Bond_Acceptor_Count	2
17747460	Hydrogen_Bond_Donor_Count	0
34	Hydrogen_Bond_Donor_Count	1
10231	Isotope_Atom_Count	0
92163	TPSA	41.1
9848024	Molecular_Weight	480.6
92775	Molecular_Weight	272.25
10909430	Exact_Mass	1421.74894144
85335	Isotope_Atom_Count	0
62965	XLogP3	2
25199890	Hydrogen_Bond_Acceptor_Count	14
14989	Mono_Isotopic_Weight	418.12638228
2762816	Undefined_Atom_Stereo_Count	0
3033017	Covalent_Unit_Count	1
5270576	Molecular_Weight	260.22
5283134	Total_Formal_Charge	0
51049440	XLogP3-AA	0.6
6433513	Total_Formal_Charge	0
21711104	Structure_Complexity	92.4
6080476	Structure_Complexity	528
840260	Defined_Bond_Stereo_Count	0
6918178	Undefined_Atom_Stereo_Count	0
6078	Undefined_Atom_Stereo_Count	0
145706202	Molecular_Weight	485.0
5173	Structure_Complexity	164
10219373	Covalent_Unit_Count	1
909750	Rotatable_Bond_Count	4
2740171	TPSA	41.9
44864	Defined_Atom_Stereo_Count	0
6300	Undefined_Bond_Stereo_Count	0
6474109	Molecular_Weight	1422.7
50857	Exact_Mass	180.126263138
11488817	XLogP3-AA	2.7
31216	Isotope_Atom_Count	0
17480032	Mono_Isotopic_Weight	343.08380644
69301023	Hydrogen_Bond_Acceptor_Count	11
70689444	Rotatable_Bond_Count	2
68696	Defined_Atom_Stereo_Count	0
503737	Undefined_Bond_Stereo_Count	0
19816937	Hydrogen_Bond_Donor_Count	2
1268111	Rotatable_Bond_Count	4
41043	Total_Formal_Charge	0
151203809	XLogP3	0.9
25945	Tautomer_Count	2
16218600	Defined_Bond_Stereo_Count	0
950975	Defined_Atom_Stereo_Count	0
11953931	Undefined_Atom_Stereo_Count	1
4202286	Non-hydrogen_Atom_Count	50
58481202	Molecular_Weight	342.30
156285535	Isotope_Atom_Count	0
107647	Isotope_Atom_Count	0
55290327	Covalent_Unit_Count	1
33254	Defined_Bond_Stereo_Count	0
135431668	Undefined_Atom_Stereo_Count	1
76693	XLogP3-AA	4.5
72332520	Hydrogen_Bond_Donor_Count	0
164825	Molecular_Weight	534.4
590836	Hydrogen_Bond_Donor_Count	0
15412	Defined_Atom_Stereo_Count	0
57384039	Mono_Isotopic_Weight	371.14945819
4523333	Undefined_Bond_Stereo_Count	0
644213	Molecular_Weight	276.67
11149862	Structure_Complexity	332
5742631	Hydrogen_Bond_Acceptor_Count	6
49692	Undefined_Atom_Stereo_Count	0
21465770	TPSA	37.3
18628727	TPSA	66.4
64956	Molecular_Weight	103.12
25050	Rotatable_Bond_Count	1
7751	Hydrogen_Bond_Acceptor_Count	2
533432	Rotatable_Bond_Count	0
3893	Structure_Complexity	132
36576	Defined_Atom_Stereo_Count	0
34313	Defined_Atom_Stereo_Count	0
160876	Undefined_Atom_Stereo_Count	0
5421897	Non-hydrogen_Atom_Count	23
123816513	Hydrogen_Bond_Donor_Count	1
66901	Isotope_Atom_Count	0
53484518	Covalent_Unit_Count	1
12014	Undefined_Atom_Stereo_Count	0
87455238	Undefined_Bond_Stereo_Count	0
6452419	Hydrogen_Bond_Acceptor_Count	2
11656518	Hydrogen_Bond_Donor_Count	2
20352	Rotatable_Bond_Count	4
59277765	Non-hydrogen_Atom_Count	7
46225190	Exact_Mass	277.215412493
18726556	Total_Formal_Charge	0
137281577	Total_Formal_Charge	0
320263	TPSA	58
6997	Isotope_Atom_Count	0
135983	Isotope_Atom_Count	0
45073445	Structure_Complexity	545
130145308	TPSA	40.5
13264589	Hydrogen_Bond_Acceptor_Count	1
9807600	Exact_Mass	547.99053
98423	Defined_Bond_Stereo_Count	0
447877	Molecular_Weight	937.8
6776	Undefined_Bond_Stereo_Count	0
13641	Hydrogen_Bond_Acceptor_Count	4
165880629	Mono_Isotopic_Weight	110.048012819
225936	TPSA	40.5
168707	Hydrogen_Bond_Acceptor_Count	4
5281515	Non-hydrogen_Atom_Count	15
174	Hydrogen_Bond_Donor_Count	2
54405	Exact_Mass	441.02840
9568512	Mono_Isotopic_Weight	236.07318219
16213473	Hydrogen_Bond_Acceptor_Count	8
730852	Defined_Bond_Stereo_Count	0
11366953	Total_Formal_Charge	0
71679	TPSA	83.2
21124737	Non-hydrogen_Atom_Count	27
9160	Exact_Mass	267.104799419
23480	Hydrogen_Bond_Donor_Count	1
43594	Molecular_Weight	542.6
6240	Hydrogen_Bond_Acceptor_Count	3
18684896	Total_Formal_Charge	0
13285535	Total_Formal_Charge	0
44137674	Rotatable_Bond_Count	7
44631912	Undefined_Bond_Stereo_Count	0
11789162	Hydrogen_Bond_Donor_Count	1
439196	Exact_Mass	154.01222190
160051	Rotatable_Bond_Count	22
5267	TPSA	85.7
144189552	Molecular_Weight	113.11
586156	Molecular_Weight	137.14
67278	Tautomer_Count	1
46780884	Molecular_Weight	562.5
84032542	Structure_Complexity	122
393601	Rotatable_Bond_Count	7
7791	Total_Formal_Charge	0
71306720	Covalent_Unit_Count	1
50397	XLogP3-AA	2
12344797	Exact_Mass	112.063662883
88371993	Defined_Bond_Stereo_Count	0
313215	Covalent_Unit_Count	1
286	Total_Formal_Charge	0
3433	Molecular_Weight	260.25
48040	Defined_Atom_Stereo_Count	0
12002774	Total_Formal_Charge	0
102503760	Exact_Mass	665.30474055
28639	Hydrogen_Bond_Donor_Count	0
119097293	Undefined_Bond_Stereo_Count	0
54516038	Non-hydrogen_Atom_Count	8
9895194	Defined_Bond_Stereo_Count	0
72199784	Non-hydrogen_Atom_Count	35
18432	Molecular_Weight	337.2
62240	Hydrogen_Bond_Acceptor_Count	2
439587	TPSA	90
13196775	Rotatable_Bond_Count	2
30544	Rotatable_Bond_Count	1
1649	Non-hydrogen_Atom_Count	13
9878679	Exact_Mass	275.07284784
72741573	Undefined_Bond_Stereo_Count	0
93500	Total_Formal_Charge	0
68205	Mono_Isotopic_Weight	334.08412354
545809	Molecular_Weight	200.28
5371562	Isotope_Atom_Count	0
62475	Defined_Bond_Stereo_Count	0
20132002	Mono_Isotopic_Weight	82.053098200
13192443	Hydrogen_Bond_Acceptor_Count	2
2909	Defined_Bond_Stereo_Count	0
637497	Defined_Atom_Stereo_Count	1
24107	Isotope_Atom_Count	0
191120	Molecular_Weight	176.17
10034581	Undefined_Atom_Stereo_Count	0
44520830	Covalent_Unit_Count	1
12167	Hydrogen_Bond_Donor_Count	0
57284788	Hydrogen_Bond_Acceptor_Count	2
1256	XLogP3-AA	2.7
96393	TPSA	38
44430376	Exact_Mass	273.04373590
65700	Undefined_Atom_Stereo_Count	1
57735	Undefined_Bond_Stereo_Count	0
99963	Covalent_Unit_Count	1
62542	Undefined_Atom_Stereo_Count	0
4132	Undefined_Bond_Stereo_Count	0
1222	Hydrogen_Bond_Donor_Count	3
146367450	Isotope_Atom_Count	0
72131	Hydrogen_Bond_Acceptor_Count	4
23675341	Hydrogen_Bond_Acceptor_Count	12
4392	Hydrogen_Bond_Donor_Count	4
17358	Non-hydrogen_Atom_Count	7
1745	Molecular_Weight	98.10
68019	Hydrogen_Bond_Donor_Count	0
23677058	Covalent_Unit_Count	2
55089	Non-hydrogen_Atom_Count	21
10034060	TPSA	515
13707503	Rotatable_Bond_Count	2
20105	Mono_Isotopic_Weight	255.15176686
76970981	Hydrogen_Bond_Donor_Count	1
76991	Exact_Mass	186.068079557
7419	TPSA	63.3
19693	Hydrogen_Bond_Acceptor_Count	17
441393	Structure_Complexity	976
151093	Defined_Atom_Stereo_Count	4
86260	Mono_Isotopic_Weight	373.839331
15903	Hydrogen_Bond_Donor_Count	0
681	Defined_Bond_Stereo_Count	0
154392753	Rotatable_Bond_Count	1
9895	Rotatable_Bond_Count	1
101254311	Hydrogen_Bond_Acceptor_Count	6
1511	Rotatable_Bond_Count	3
155144825	Covalent_Unit_Count	1
15595	Defined_Bond_Stereo_Count	0
19774759	Exact_Mass	114.079312947
62961	Non-hydrogen_Atom_Count	33
3151	Mono_Isotopic_Weight	425.1618527
136502787	Defined_Bond_Stereo_Count	0
15250	Hydrogen_Bond_Acceptor_Count	2
13551	Rotatable_Bond_Count	2
22591521	Hydrogen_Bond_Acceptor_Count	3
40945	Hydrogen_Bond_Donor_Count	0
69341756	Covalent_Unit_Count	1
6473878	Undefined_Bond_Stereo_Count	0
18462872	Exact_Mass	115.063328530
6992140	Molecular_Weight	333.34
5284607	Rotatable_Bond_Count	14
23278031	Isotope_Atom_Count	0
25261	Non-hydrogen_Atom_Count	22
2733660	Hydrogen_Bond_Donor_Count	0
68928	Undefined_Atom_Stereo_Count	1
11446305	Structure_Complexity	113
613589	Tautomer_Count	1
17695	Hydrogen_Bond_Acceptor_Count	3
454386	Structure_Complexity	484
12724643	Molecular_Weight	112.17
42963	Isotope_Atom_Count	0
70003	Exact_Mass	160.088815002
81415113	Undefined_Bond_Stereo_Count	0
10333656	Total_Formal_Charge	0
2010	Isotope_Atom_Count	0
70962	Hydrogen_Bond_Acceptor_Count	1
6649	Hydrogen_Bond_Donor_Count	4
37983	Exact_Mass	191.131014166
155290	TPSA	12.5
46934729	Total_Formal_Charge	0
13380150	Defined_Atom_Stereo_Count	0
542420	Tautomer_Count	1
12232989	Undefined_Bond_Stereo_Count	0
91770	TPSA	91.6
129600762	Isotope_Atom_Count	0
1412	Undefined_Atom_Stereo_Count	1
21917899	Non-hydrogen_Atom_Count	13
160138	TPSA	40.5
124143	Undefined_Bond_Stereo_Count	0
634	Undefined_Atom_Stereo_Count	3
92873	XLogP3-AA	7.6
96430	Defined_Bond_Stereo_Count	0
456214	Covalent_Unit_Count	1
5053558	Undefined_Bond_Stereo_Count	0
8254	Structure_Complexity	2.8
5288393	Covalent_Unit_Count	1
631837	Undefined_Bond_Stereo_Count	0
75675	Defined_Bond_Stereo_Count	0
88063521	Non-hydrogen_Atom_Count	8
123868	Undefined_Bond_Stereo_Count	0
135410344	Defined_Bond_Stereo_Count	0
81909	XLogP3	2
118014938	Exact_Mass	114.104465066
60575	Hydrogen_Bond_Donor_Count	0
20190	Structure_Complexity	273
1896971	Exact_Mass	114.042927438
24961094	Exact_Mass	576.2270111
163943218	Exact_Mass	116.083729621
1047	Defined_Atom_Stereo_Count	0
56339	Undefined_Atom_Stereo_Count	0
45259043	Mono_Isotopic_Weight	544.36584195
75059709	Isotope_Atom_Count	0
12556661	Molecular_Weight	124.22
20689	Rotatable_Bond_Count	6
671690	Mono_Isotopic_Weight	313.0636342
90488794	Undefined_Bond_Stereo_Count	0
14671581	Non-hydrogen_Atom_Count	8
21061676	Undefined_Bond_Stereo_Count	0
124224929	Total_Formal_Charge	0
123373137	Undefined_Bond_Stereo_Count	0
7963	Total_Formal_Charge	0
11508	Defined_Atom_Stereo_Count	0
4054588	Structure_Complexity	75.6
62926	Total_Formal_Charge	0
44368	Covalent_Unit_Count	1
472946	Hydrogen_Bond_Donor_Count	1
71560031	Undefined_Atom_Stereo_Count	0
95571	Covalent_Unit_Count	1
6442928	Defined_Bond_Stereo_Count	2
10206844	Covalent_Unit_Count	1
42808	Tautomer_Count	1
163321054	Hydrogen_Bond_Donor_Count	8
12231382	Non-hydrogen_Atom_Count	8
219020	Mono_Isotopic_Weight	421.27292737
20593561	Covalent_Unit_Count	1
23724967	Covalent_Unit_Count	5
1027	Total_Formal_Charge	0
440728	Molecular_Weight	147.13
53364498	Rotatable_Bond_Count	4
130845868	Covalent_Unit_Count	1
12285862	Molecular_Weight	180.16
6917864	Exact_Mass	384.17841785
11985	Hydrogen_Bond_Donor_Count	2
6257	Defined_Atom_Stereo_Count	0
422780	Hydrogen_Bond_Donor_Count	2
24760653	Hydrogen_Bond_Acceptor_Count	6
146158182	Rotatable_Bond_Count	4
38627	Tautomer_Count	1
94097	Isotope_Atom_Count	0
16721	Structure_Complexity	398
22564561	Structure_Complexity	113
20623556	Defined_Bond_Stereo_Count	0
47466	XLogP3-AA	4.3
12488	Undefined_Bond_Stereo_Count	0
4329	Isotope_Atom_Count	0
71602	Molecular_Weight	179.18
22812306	Covalent_Unit_Count	1
123249588	Covalent_Unit_Count	1
18324766	Undefined_Bond_Stereo_Count	0
216258	Undefined_Atom_Stereo_Count	13
55891	Defined_Bond_Stereo_Count	0
2724333	Molecular_Weight	176.12
71584542	TPSA	89
21863274	Hydrogen_Bond_Acceptor_Count	5
90957031	Hydrogen_Bond_Donor_Count	1
6432236	Undefined_Atom_Stereo_Count	0
491941	Rotatable_Bond_Count	5
180624	Defined_Bond_Stereo_Count	0
9554198	Tautomer_Count	2
497266	Hydrogen_Bond_Acceptor_Count	10
117768413	Structure_Complexity	151
10887743	Non-hydrogen_Atom_Count	93
57183917	Exact_Mass	111.032028402
122850	Undefined_Atom_Stereo_Count	0
3080825	Non-hydrogen_Atom_Count	14
157684	Tautomer_Count	1
9821849	Total_Formal_Charge	0
20349001	Covalent_Unit_Count	1
142186967	Hydrogen_Bond_Donor_Count	3
12648201	TPSA	40.5
144895707	Undefined_Atom_Stereo_Count	3
139590844	Defined_Bond_Stereo_Count	0
59904965	Molecular_Weight	21.065
66083	Covalent_Unit_Count	1
6429029	XLogP3-AA	0.8
123555270	Total_Formal_Charge	0
3032537	Hydrogen_Bond_Donor_Count	2
101042985	Hydrogen_Bond_Acceptor_Count	3
6445786	Isotope_Atom_Count	0
5287541	Tautomer_Count	1
3033972	Covalent_Unit_Count	1
3365553	Exact_Mass	87.068413911
984456	Defined_Atom_Stereo_Count	0
456297	Mono_Isotopic_Weight	569.29082182
5312108	Defined_Bond_Stereo_Count	0
8340	Mono_Isotopic_Weight	353.12632271
7062	Exact_Mass	165.115364102
67805120	Exact_Mass	96.093900383
10254700	Structure_Complexity	506
71960	Defined_Atom_Stereo_Count	10
123519634	Structure_Complexity	128
82502376	Mono_Isotopic_Weight	114.05416083
11636795	Covalent_Unit_Count	1
18757559	Defined_Bond_Stereo_Count	0
73648	Rotatable_Bond_Count	6
49865493	Defined_Bond_Stereo_Count	0
441451	Structure_Complexity	176
83822	Covalent_Unit_Count	1
148211	Undefined_Bond_Stereo_Count	0
63801	Hydrogen_Bond_Donor_Count	3
78630	TPSA	25.8
11244031	Covalent_Unit_Count	1
534767	Rotatable_Bond_Count	2
406793	Hydrogen_Bond_Donor_Count	1
54110642	Exact_Mass	118.062994177
165286	Defined_Atom_Stereo_Count	0
9958995	XLogP3-AA	6.5
89590	XLogP3	1.4
7549	Tautomer_Count	1
160230029	TPSA	48.2
40468	Non-hydrogen_Atom_Count	17
70685868	Hydrogen_Bond_Acceptor_Count	6
14236	Covalent_Unit_Count	1
139938268	Molecular_Weight	105.14
86171	Defined_Atom_Stereo_Count	0
11768526	Undefined_Bond_Stereo_Count	0
49170	Exact_Mass	242.12665706
72187569	Covalent_Unit_Count	1
19816560	Undefined_Atom_Stereo_Count	1
974	Rotatable_Bond_Count	1
67247924	Molecular_Weight	112.13
3037918	Hydrogen_Bond_Acceptor_Count	1
99963	Hydrogen_Bond_Donor_Count	2
13506	Molecular_Weight	604.5
809622	Undefined_Bond_Stereo_Count	0
68790	TPSA	30.2
104802	TPSA	223
321710	Undefined_Atom_Stereo_Count	0
159563	Hydrogen_Bond_Donor_Count	2
25070193	Molecular_Weight	427.4
429456	Undefined_Bond_Stereo_Count	0
13416	TPSA	20.2
53242178	Undefined_Atom_Stereo_Count	0
736188	Non-hydrogen_Atom_Count	20
136873	Defined_Atom_Stereo_Count	0
87254	Undefined_Atom_Stereo_Count	0
156414	Total_Formal_Charge	0
23677829	Isotope_Atom_Count	0
21844441	Isotope_Atom_Count	0
62311	Defined_Bond_Stereo_Count	0
63686	Mono_Isotopic_Weight	517.02418
62870	Molecular_Weight	384.5
49227	Rotatable_Bond_Count	5
5288706	Mono_Isotopic_Weight	485.27536898
104865	Structure_Complexity	839
23727982	Mono_Isotopic_Weight	269.12766012
2574	Exact_Mass	182.11676108
34864	Isotope_Atom_Count	0
4507	Tautomer_Count	5
5497174	Isotope_Atom_Count	0
68437	Isotope_Atom_Count	0
21672	XLogP3	5.5
122820	Defined_Bond_Stereo_Count	0
3722461	Total_Formal_Charge	0
289847	Exact_Mass	160.074896272
11503972	Structure_Complexity	535
25182616	Isotope_Atom_Count	0
2799	XLogP3-AA	8.1
23783	TPSA	9.2
85025	TPSA	3.9
686807	Isotope_Atom_Count	0
83295	Rotatable_Bond_Count	18
16659676	Exact_Mass	449.1490768
78610	Defined_Bond_Stereo_Count	0
58985	Isotope_Atom_Count	0
141192121	Molecular_Weight	95.10
45006125	Total_Formal_Charge	0
9810601	Tautomer_Count	2
135532928	Non-hydrogen_Atom_Count	10
24972774	Molecular_Weight	111.14
221523	Defined_Bond_Stereo_Count	0
133655777	Total_Formal_Charge	0
173685	Total_Formal_Charge	0
133679779	Molecular_Weight	114.19
341	Non-hydrogen_Atom_Count	23
463694	Defined_Bond_Stereo_Count	0
59516084	Total_Formal_Charge	0
11148955	Isotope_Atom_Count	0
21881166	Undefined_Atom_Stereo_Count	0
66969	Tautomer_Count	1
34725	Mono_Isotopic_Weight	174.125594432
2542	Mono_Isotopic_Weight	314.224580195
165074	TPSA	0
4019563	Exact_Mass	419.97220756
978766	Defined_Bond_Stereo_Count	0
60196318	Molecular_Weight	358.9
62210	Total_Formal_Charge	0
11598	Defined_Atom_Stereo_Count	0
22505043	Covalent_Unit_Count	1
1101	Molecular_Weight	180.16
69340519	XLogP3-AA	0.4
5152	Molecular_Weight	415.6
102491	Defined_Atom_Stereo_Count	0
18711391	TPSA	0
135482068	Defined_Bond_Stereo_Count	1
7023411	Structure_Complexity	101
14865900	Total_Formal_Charge	0
60196328	Total_Formal_Charge	0
25025505	Rotatable_Bond_Count	7
1519487	Structure_Complexity	32.5
53674114	Covalent_Unit_Count	1
5370325	Structure_Complexity	329
9851505	Defined_Bond_Stereo_Count	0
124510	TPSA	55.5
3824520	Non-hydrogen_Atom_Count	8
21482439	Structure_Complexity	70.8
6858240	Tautomer_Count	6
101432819	Non-hydrogen_Atom_Count	9
61011	Total_Formal_Charge	0
20337519	Mono_Isotopic_Weight	86.084398327
219071	Defined_Atom_Stereo_Count	0
7409	XLogP3	1.4
2741000	Covalent_Unit_Count	1
84647614	Defined_Atom_Stereo_Count	0
59729233	Non-hydrogen_Atom_Count	8
54886	TPSA	93.6
32675	Covalent_Unit_Count	2
12256	Hydrogen_Bond_Acceptor_Count	1
7185	Structure_Complexity	349
14852477	Mono_Isotopic_Weight	100.100048391
681110	Covalent_Unit_Count	1
71209	XLogP3-AA	1.7
56659838	Undefined_Atom_Stereo_Count	0
10909485	Structure_Complexity	66.3
8858	Molecular_Weight	98.14
751	Hydrogen_Bond_Acceptor_Count	3
15205080	TPSA	44
54778	Defined_Bond_Stereo_Count	0
11520	Isotope_Atom_Count	0
76973265	Undefined_Bond_Stereo_Count	0
15575619	Mono_Isotopic_Weight	752.41490014
435	Hydrogen_Bond_Donor_Count	1
3340552	Covalent_Unit_Count	1
70783	Undefined_Bond_Stereo_Count	0
183812	Structure_Complexity	649
44258	Non-hydrogen_Atom_Count	26
78601	Hydrogen_Bond_Donor_Count	0
162955682	Rotatable_Bond_Count	4
8364	Exact_Mass	250.15689456
767951	Undefined_Bond_Stereo_Count	0
4128060	Defined_Bond_Stereo_Count	0
6386307	Undefined_Bond_Stereo_Count	0
4557	Rotatable_Bond_Count	9
6917762	Exact_Mass	228.183778013
41634	Mono_Isotopic_Weight	337.0239443
57401683	Undefined_Atom_Stereo_Count	0
124224930	TPSA	195
77455	Molecular_Weight	323.4
7748	Non-hydrogen_Atom_Count	7
11227182	Undefined_Atom_Stereo_Count	0
535857	TPSA	46
106831	Defined_Bond_Stereo_Count	0
25217563	Non-hydrogen_Atom_Count	27
78759348	TPSA	95.6
68322079	Molecular_Weight	353.4
53395363	Defined_Atom_Stereo_Count	0
31312	Structure_Complexity	880
4092	Exact_Mass	160.133753817
642	Total_Formal_Charge	0
87428	Structure_Complexity	143
10975412	Tautomer_Count	1
46839993	Covalent_Unit_Count	1
16683012	Molecular_Weight	908.89
43226	Defined_Bond_Stereo_Count	0
84420187	Total_Formal_Charge	0
136316	XLogP3-AA	2.1
83904778	Defined_Atom_Stereo_Count	0
688	Isotope_Atom_Count	0
112711235	Rotatable_Bond_Count	1
4356	Defined_Bond_Stereo_Count	0
15789	Undefined_Bond_Stereo_Count	0
102681	XLogP3-AA	2.7
10278166	Mono_Isotopic_Weight	489.989931
69671	Rotatable_Bond_Count	0
25154200	Defined_Bond_Stereo_Count	0
23151260	Covalent_Unit_Count	1
5256574	Mono_Isotopic_Weight	152.01903862
194637	Exact_Mass	590.28930571
44311686	TPSA	117
13917884	Mono_Isotopic_Weight	101.047678466
29396	Undefined_Bond_Stereo_Count	0
13015037	Exact_Mass	250.05244675
135915	Tautomer_Count	28
64765	Tautomer_Count	1
4413	TPSA	141
17705	Defined_Atom_Stereo_Count	0
663	Structure_Complexity	130
11572	Molecular_Weight	96.17
12511	Defined_Atom_Stereo_Count	0
6419921	Tautomer_Count	1
19606581	Mono_Isotopic_Weight	208.07355886
75453	XLogP3-AA	3.8
11783	Undefined_Atom_Stereo_Count	0
6683	Rotatable_Bond_Count	0
16132446	Defined_Atom_Stereo_Count	41
11185	Defined_Atom_Stereo_Count	0
104769	Isotope_Atom_Count	0
19437571	Non-hydrogen_Atom_Count	8
63992	Undefined_Atom_Stereo_Count	1
351917	Isotope_Atom_Count	0
19657	Exact_Mass	216.00100232
533876	Isotope_Atom_Count	0
64334	Total_Formal_Charge	0
9590	TPSA	45.8
2440	Mono_Isotopic_Weight	496.09575
34213	Molecular_Weight	346.8
14946164	Hydrogen_Bond_Acceptor_Count	0
90473211	Total_Formal_Charge	0
11423572	Hydrogen_Bond_Acceptor_Count	2
46228506	Rotatable_Bond_Count	2
91694	Undefined_Bond_Stereo_Count	0
11840951	Rotatable_Bond_Count	3
10685477	Exact_Mass	298.12050905
17017	Hydrogen_Bond_Acceptor_Count	2
657378	Hydrogen_Bond_Acceptor_Count	8
5354280	Defined_Bond_Stereo_Count	1
5527	Structure_Complexity	464
71986	TPSA	77.3
278711	Structure_Complexity	690
9933415	Isotope_Atom_Count	0
2775311	Rotatable_Bond_Count	0
12598088	Hydrogen_Bond_Acceptor_Count	1
35775	Undefined_Bond_Stereo_Count	0
92660	Molecular_Weight	246.09
67242031	Exact_Mass	106.027946081
53819405	Exact_Mass	115.063328530
5311068	Mono_Isotopic_Weight	200.131348519
23674889	Hydrogen_Bond_Acceptor_Count	3
124443	Undefined_Atom_Stereo_Count	2
72978296	Hydrogen_Bond_Acceptor_Count	2
9434	Isotope_Atom_Count	0
22902239	Rotatable_Bond_Count	0
9901	Isotope_Atom_Count	0
78170	Total_Formal_Charge	0
6441283	Isotope_Atom_Count	0
158796	Hydrogen_Bond_Donor_Count	2
5287736	Undefined_Bond_Stereo_Count	0
13034799	Isotope_Atom_Count	0
63047	Non-hydrogen_Atom_Count	34
56149	TPSA	46.5
65662	Exact_Mass	267.125928785
54087622	Hydrogen_Bond_Donor_Count	1
74319	Structure_Complexity	201
5783	TPSA	37.3
136716	Total_Formal_Charge	0
44226825	Mono_Isotopic_Weight	306.16588839
633	TPSA	34.1
30590	XLogP3-AA	4.8
21827	Total_Formal_Charge	0
1040	Hydrogen_Bond_Acceptor_Count	8
155977656	Hydrogen_Bond_Acceptor_Count	10
5461016	Undefined_Atom_Stereo_Count	0
79244	TPSA	37.4
12870	Covalent_Unit_Count	1
39724	Hydrogen_Bond_Donor_Count	2
4110	Defined_Atom_Stereo_Count	0
7233	Hydrogen_Bond_Donor_Count	1
62883	Mono_Isotopic_Weight	419.13623594
12562	Non-hydrogen_Atom_Count	16
65015	Non-hydrogen_Atom_Count	36
74079	Covalent_Unit_Count	1
6844	Rotatable_Bond_Count	1
20699949	Hydrogen_Bond_Acceptor_Count	2
140809	Non-hydrogen_Atom_Count	7
4646	Non-hydrogen_Atom_Count	17
84715998	Molecular_Weight	112.13
139202065	Defined_Atom_Stereo_Count	2
6850814	Tautomer_Count	1
18069	Covalent_Unit_Count	1
142123799	Covalent_Unit_Count	1
198140	Exact_Mass	215.105862047
45358001	Defined_Bond_Stereo_Count	0
91450840	Defined_Atom_Stereo_Count	0
45046	Undefined_Atom_Stereo_Count	0
11788287	Undefined_Bond_Stereo_Count	0
6785	Hydrogen_Bond_Acceptor_Count	6
136013897	Hydrogen_Bond_Acceptor_Count	3
54086435	Rotatable_Bond_Count	1
135459971	Exact_Mass	323.00179
51683431	TPSA	190
11611	Total_Formal_Charge	0
88045	Total_Formal_Charge	0
27492	Defined_Bond_Stereo_Count	0
85658	Molecular_Weight	336.5
3003791	TPSA	112
133665799	Defined_Atom_Stereo_Count	0
99050	TPSA	48.1
23276	Undefined_Bond_Stereo_Count	0
20590622	Hydrogen_Bond_Donor_Count	1
9434	Tautomer_Count	1
6918405	Structure_Complexity	517
103439991	Defined_Bond_Stereo_Count	0
164075219	Rotatable_Bond_Count	0
6324599	Hydrogen_Bond_Donor_Count	1
5432	Tautomer_Count	6
90708518	Hydrogen_Bond_Donor_Count	1
134694395	Undefined_Atom_Stereo_Count	3
56777521	Rotatable_Bond_Count	1
557903	Undefined_Atom_Stereo_Count	0
69332601	Defined_Atom_Stereo_Count	0
49862626	TPSA	57.8
3005839	Defined_Atom_Stereo_Count	1
75373	Tautomer_Count	1
443210	Undefined_Bond_Stereo_Count	0
136870	Defined_Bond_Stereo_Count	0
117721	Hydrogen_Bond_Donor_Count	0
9699	Defined_Atom_Stereo_Count	0
7374	Undefined_Bond_Stereo_Count	0
8567	Structure_Complexity	134
92588	Mono_Isotopic_Weight	110.073164938
153274329	Covalent_Unit_Count	1
20297545	Isotope_Atom_Count	0
35161	Defined_Bond_Stereo_Count	0
12291486	Molecular_Weight	104.15
37686	Rotatable_Bond_Count	5
73416227	Defined_Atom_Stereo_Count	4
101171	Exact_Mass	114.068079557
71681009	Total_Formal_Charge	0
68704	Covalent_Unit_Count	1
135802074	Defined_Bond_Stereo_Count	0
58195	Hydrogen_Bond_Acceptor_Count	2
1479277	Undefined_Bond_Stereo_Count	0
22053930	Covalent_Unit_Count	1
2760115	Tautomer_Count	1
60810	Defined_Bond_Stereo_Count	0
71950363	Undefined_Atom_Stereo_Count	0
2745	Defined_Atom_Stereo_Count	0
16779	Defined_Atom_Stereo_Count	0
44644	Tautomer_Count	1
347402	Hydrogen_Bond_Donor_Count	1
70851	Covalent_Unit_Count	1
16065391	XLogP3-AA	5
11977753	Defined_Atom_Stereo_Count	0
53894233	TPSA	17.1
90761	Undefined_Bond_Stereo_Count	0
12774540	Covalent_Unit_Count	1
10171348	Defined_Atom_Stereo_Count	0
13040867	Defined_Atom_Stereo_Count	0
28187	Tautomer_Count	1
17841212	Hydrogen_Bond_Acceptor_Count	3
12682631	Exact_Mass	113.058911855
153812233	Defined_Bond_Stereo_Count	0
92824	Molecular_Weight	134.09
58227482	Covalent_Unit_Count	1
7004913	TPSA	26
70003	Non-hydrogen_Atom_Count	12
14947257	Structure_Complexity	67.4
167725	Rotatable_Bond_Count	0
729483	Undefined_Atom_Stereo_Count	0
112	Mono_Isotopic_Weight	212.98002914
44560911	Covalent_Unit_Count	1
57390867	Structure_Complexity	731
5311136	Undefined_Atom_Stereo_Count	0
2724103	Structure_Complexity	112
556487	Defined_Atom_Stereo_Count	0
4973	Isotope_Atom_Count	0
734	Rotatable_Bond_Count	8
13224	Structure_Complexity	160
16217852	Exact_Mass	125.047678466
546482	Non-hydrogen_Atom_Count	21
28102	Isotope_Atom_Count	0
424354	Covalent_Unit_Count	1
92829	Defined_Atom_Stereo_Count	1
66112	Defined_Bond_Stereo_Count	0
70217	Defined_Atom_Stereo_Count	0
8706	XLogP3	1.9
11676068	Mono_Isotopic_Weight	417.1607901
6420022	Defined_Atom_Stereo_Count	0
14852477	Hydrogen_Bond_Acceptor_Count	2
235269	Undefined_Atom_Stereo_Count	0
65726	Tautomer_Count	10
6918454	Hydrogen_Bond_Donor_Count	2
55473	Covalent_Unit_Count	1
135431094	Structure_Complexity	2510
11007862	Defined_Bond_Stereo_Count	0
56842000	Mono_Isotopic_Weight	601.944164
155742	TPSA	40.5
148651588	Exact_Mass	112.088815002
123650722	Non-hydrogen_Atom_Count	47
11618	Molecular_Weight	100.16
13990016	Isotope_Atom_Count	0
47932	Covalent_Unit_Count	3
23713799	TPSA	90.8
80603	Rotatable_Bond_Count	1
91543	Mono_Isotopic_Weight	493.71285
61196	Total_Formal_Charge	0
60796	Structure_Complexity	402
139030973	Isotope_Atom_Count	0
90498	Covalent_Unit_Count	1
446563	Mono_Isotopic_Weight	268.313001276
95182	Non-hydrogen_Atom_Count	33
61753	Hydrogen_Bond_Donor_Count	0
24556	Hydrogen_Bond_Acceptor_Count	4
13662384	Hydrogen_Bond_Donor_Count	1
54033586	Exact_Mass	112.088815002
25917	Defined_Bond_Stereo_Count	0
57659	Mono_Isotopic_Weight	311.199762429
22041940	Defined_Atom_Stereo_Count	0
11532248	Covalent_Unit_Count	1
5324	Covalent_Unit_Count	1
557772	TPSA	24.4
6918026	Hydrogen_Bond_Acceptor_Count	13
122173791	Total_Formal_Charge	1
11624518	Hydrogen_Bond_Acceptor_Count	3
62529	XLogP3-AA	2.5
10930422	Total_Formal_Charge	0
143694905	Undefined_Bond_Stereo_Count	0
162747	TPSA	26.3
18946	Defined_Atom_Stereo_Count	0
25202592	Total_Formal_Charge	0
10479060	Structure_Complexity	709
524829	Defined_Bond_Stereo_Count	0
47531	Total_Formal_Charge	0
129797481	Isotope_Atom_Count	0
11633038	Isotope_Atom_Count	0
97842	Isotope_Atom_Count	0
97535	Non-hydrogen_Atom_Count	32
11171	TPSA	64.6
2852	Structure_Complexity	948
3047787	XLogP3-AA	4.2
19347790	Rotatable_Bond_Count	0
456718	Mono_Isotopic_Weight	270.11167570
15842092	Isotope_Atom_Count	0
12242	Isotope_Atom_Count	0
54469425	XLogP3-AA	0.3
5460337	Defined_Bond_Stereo_Count	0
12948	Covalent_Unit_Count	2
56330	Mono_Isotopic_Weight	417.22637110
42796	Isotope_Atom_Count	0
2734173	Mono_Isotopic_Weight	164.143924578
51763	Non-hydrogen_Atom_Count	16
522105	Exact_Mass	143.0501770
70687384	Undefined_Bond_Stereo_Count	0
117715670	Total_Formal_Charge	0
3938668	Structure_Complexity	283
23663974	Hydrogen_Bond_Donor_Count	3
91763	Mono_Isotopic_Weight	434.0411457
24987688	XLogP3-AA	3.1
268473	Isotope_Atom_Count	0
11182575	TPSA	9.2
4143	TPSA	104
141487201	Undefined_Atom_Stereo_Count	1
3718	Hydrogen_Bond_Donor_Count	1
6828	Undefined_Atom_Stereo_Count	0
69504120	Defined_Atom_Stereo_Count	0
6432459	Structure_Complexity	432
27781	TPSA	23.6
3081361	Exact_Mass	474.10667
68987	Defined_Atom_Stereo_Count	0
72145	Structure_Complexity	772
220212	Non-hydrogen_Atom_Count	8
8748	Covalent_Unit_Count	1
58611	Undefined_Atom_Stereo_Count	0
1698	Undefined_Bond_Stereo_Count	0
31423	Non-hydrogen_Atom_Count	16
20465494	Undefined_Bond_Stereo_Count	0
21702736	Undefined_Bond_Stereo_Count	0
11676981	Defined_Bond_Stereo_Count	0
20644600	Structure_Complexity	48.1
123626159	Mono_Isotopic_Weight	100.100048391
70034662	Structure_Complexity	74
25171607	Undefined_Atom_Stereo_Count	0
8996	Structure_Complexity	343
40218	Isotope_Atom_Count	0
71584421	Molecular_Weight	426.5
10985889	Hydrogen_Bond_Acceptor_Count	0
60195811	Structure_Complexity	449
290	Hydrogen_Bond_Donor_Count	6
325385	Hydrogen_Bond_Donor_Count	0
7266	Undefined_Atom_Stereo_Count	0
9874591	Hydrogen_Bond_Acceptor_Count	12
137207	TPSA	0
61828	Undefined_Bond_Stereo_Count	0
12749319	Isotope_Atom_Count	0
77801	Mono_Isotopic_Weight	150.115698455
10683	Tautomer_Count	2
3054	TPSA	40.5
53737226	Non-hydrogen_Atom_Count	7
16322	Defined_Atom_Stereo_Count	0
158758	Total_Formal_Charge	0
60196303	Rotatable_Bond_Count	1
11073376	Total_Formal_Charge	0
5273472	Isotope_Atom_Count	0
73271	Hydrogen_Bond_Acceptor_Count	4
89334461	TPSA	93.2
70652	Structure_Complexity	188
47419	Defined_Atom_Stereo_Count	2
28788	Undefined_Atom_Stereo_Count	0
101469918	Defined_Atom_Stereo_Count	5
2803172	Undefined_Bond_Stereo_Count	0
23677676	Hydrogen_Bond_Acceptor_Count	5
24848343	Rotatable_Bond_Count	2
123377064	Non-hydrogen_Atom_Count	8
750205	Undefined_Atom_Stereo_Count	0
5364919	Hydrogen_Bond_Acceptor_Count	1
135457035	Hydrogen_Bond_Donor_Count	2
112039	Isotope_Atom_Count	0
5288033	Non-hydrogen_Atom_Count	19
70690019	Rotatable_Bond_Count	4
64727	XLogP3	3.5
158201	Rotatable_Bond_Count	2
817150	Undefined_Atom_Stereo_Count	0
688993	XLogP3	5.3
14197638	Molecular_Weight	109.13
62525	Isotope_Atom_Count	0
21868890	XLogP3-AA	1.4
118086727	Total_Formal_Charge	0
6334	XLogP3-AA	1.8
3015798	Defined_Bond_Stereo_Count	0
54583833	Undefined_Bond_Stereo_Count	0
10090285	Covalent_Unit_Count	1
73280	Undefined_Bond_Stereo_Count	0
70686982	Molecular_Weight	514.0
139056	Total_Formal_Charge	0
6848	Covalent_Unit_Count	1
11095	Covalent_Unit_Count	1
70359	Undefined_Atom_Stereo_Count	0
9785	Hydrogen_Bond_Acceptor_Count	4
9576737	Total_Formal_Charge	0
883785	Defined_Bond_Stereo_Count	0
12167	Tautomer_Count	1
107250	Hydrogen_Bond_Acceptor_Count	3
64685	XLogP3	2.7
58746	Undefined_Atom_Stereo_Count	1
5328793	Undefined_Atom_Stereo_Count	0
123228414	Isotope_Atom_Count	0
57330419	Defined_Bond_Stereo_Count	0
57469742	Exact_Mass	114.031694049
8628	Defined_Atom_Stereo_Count	0
12793	Non-hydrogen_Atom_Count	11
19571	XLogP3	5.1
3082460	Molecular_Weight	360.31
165542295	Undefined_Atom_Stereo_Count	2
139024314	Covalent_Unit_Count	1
56661920	Undefined_Atom_Stereo_Count	0
71315333	Undefined_Bond_Stereo_Count	0
58492	Isotope_Atom_Count	0
16132350	Isotope_Atom_Count	0
72573106	Hydrogen_Bond_Donor_Count	3
102063093	Molecular_Weight	168.23
4093	Undefined_Bond_Stereo_Count	0
9837916	Hydrogen_Bond_Donor_Count	1
11970447	Hydrogen_Bond_Acceptor_Count	5
52946209	Structure_Complexity	374
18719	Undefined_Atom_Stereo_Count	2
1574	Mono_Isotopic_Weight	190.110613074
8683	Structure_Complexity	189
11742188	Mono_Isotopic_Weight	408.11437830
4183883	Hydrogen_Bond_Donor_Count	0
91585	Covalent_Unit_Count	1
134694358	Defined_Atom_Stereo_Count	4
12695798	Isotope_Atom_Count	0
94381	Covalent_Unit_Count	1
243	Structure_Complexity	104
26248	TPSA	124
12260	XLogP3-AA	3.1
11967617	TPSA	12
67895	Undefined_Atom_Stereo_Count	0
796414	Exact_Mass	276.183778013
36879	Rotatable_Bond_Count	4
4100	Rotatable_Bond_Count	1
129009859	TPSA	145
144567671	Exact_Mass	108.093900383
16719	Undefined_Atom_Stereo_Count	0
18924154	Covalent_Unit_Count	1
107751	Total_Formal_Charge	0
3383	Defined_Bond_Stereo_Count	0
51931	TPSA	52.3
9578570	Tautomer_Count	2
69319	Undefined_Atom_Stereo_Count	0
19600405	Hydrogen_Bond_Donor_Count	0
123539309	Hydrogen_Bond_Donor_Count	0
86039889	TPSA	17.1
463694	Mono_Isotopic_Weight	272.07970687
2734180	Defined_Bond_Stereo_Count	0
85551668	Mono_Isotopic_Weight	117.042593085
7540	Rotatable_Bond_Count	6
85538179	Rotatable_Bond_Count	0
12285870	Total_Formal_Charge	0
131320	Covalent_Unit_Count	1
40846	Undefined_Bond_Stereo_Count	0
46240	Undefined_Bond_Stereo_Count	0
93884	Undefined_Atom_Stereo_Count	0
118796997	Undefined_Bond_Stereo_Count	0
123304022	Defined_Bond_Stereo_Count	0
102131130	Covalent_Unit_Count	1
73706	Non-hydrogen_Atom_Count	13
457825	Mono_Isotopic_Weight	622.30428706
20140931	Isotope_Atom_Count	0
61196	Structure_Complexity	164
10784	Mono_Isotopic_Weight	219.93851
689739	Hydrogen_Bond_Acceptor_Count	2
5284594	Molecular_Weight	339.4
52942212	Isotope_Atom_Count	0
16735405	Defined_Bond_Stereo_Count	0
45357888	Undefined_Bond_Stereo_Count	0
31390	Hydrogen_Bond_Acceptor_Count	4
77332	Rotatable_Bond_Count	5
445258	Structure_Complexity	60.4
3827	Molecular_Weight	309.4
44310065	Hydrogen_Bond_Donor_Count	1
2724100	Molecular_Weight	594.5
84647654	Mono_Isotopic_Weight	111.068413911
65456803	Defined_Bond_Stereo_Count	0
23690449	Molecular_Weight	506.86
447661	Defined_Bond_Stereo_Count	0
69336	Covalent_Unit_Count	1
23	Defined_Bond_Stereo_Count	0
18442764	Undefined_Bond_Stereo_Count	0
67782238	XLogP3-AA	0.7
62852	Isotope_Atom_Count	0
23695324	Tautomer_Count	3
9526	Undefined_Bond_Stereo_Count	0
4659570	Mono_Isotopic_Weight	277.191603044
57392610	Total_Formal_Charge	0
200638	Total_Formal_Charge	0
586083	Non-hydrogen_Atom_Count	16
102109	Hydrogen_Bond_Acceptor_Count	1
90937445	Covalent_Unit_Count	1
61953	XLogP3-AA	3
10698	Isotope_Atom_Count	0
674754	Undefined_Bond_Stereo_Count	0
4962721	Rotatable_Bond_Count	1
67643	Non-hydrogen_Atom_Count	25
70609968	Defined_Bond_Stereo_Count	0
162236685	Mono_Isotopic_Weight	13.06234
23688977	Covalent_Unit_Count	2
154825561	XLogP3-AA	2.9
89741632	Defined_Bond_Stereo_Count	0
72165228	Total_Formal_Charge	0
53914733	XLogP3-AA	0.6
80717	Mono_Isotopic_Weight	260.01030715
54511620	Exact_Mass	98.073164938
4273	Undefined_Atom_Stereo_Count	0
92258	Undefined_Bond_Stereo_Count	0
9801597	Structure_Complexity	647
5650	Non-hydrogen_Atom_Count	32
15783596	Isotope_Atom_Count	0
23899	Hydrogen_Bond_Acceptor_Count	7
122612	Tautomer_Count	1
20387242	Covalent_Unit_Count	1
66602654	Defined_Atom_Stereo_Count	0
135332658	Structure_Complexity	134
89125265	Exact_Mass	107.073499291
12209629	Molecular_Weight	127.18
44556162	Exact_Mass	676.30972162
13199930	Hydrogen_Bond_Acceptor_Count	2
162807	Rotatable_Bond_Count	0
66295	Exact_Mass	84.057514874
8377	Defined_Bond_Stereo_Count	0
139158	Non-hydrogen_Atom_Count	7
79882	TPSA	26
5460700	Tautomer_Count	1
10464312	TPSA	34.1
21123938	Hydrogen_Bond_Acceptor_Count	5
28871	XLogP3	5.2
68258	Total_Formal_Charge	0
81876	Non-hydrogen_Atom_Count	19
58436	Hydrogen_Bond_Donor_Count	1
23532160	Undefined_Atom_Stereo_Count	0
5433	Undefined_Atom_Stereo_Count	2
92649	XLogP3-AA	2.5
54022694	Covalent_Unit_Count	1
12741658	Exact_Mass	100.052429494
162172	Non-hydrogen_Atom_Count	20
73759969	Non-hydrogen_Atom_Count	67
70922	Hydrogen_Bond_Acceptor_Count	2
156580566	TPSA	125
11957621	Structure_Complexity	130
5205	Structure_Complexity	397
57395613	Isotope_Atom_Count	0
96281	Hydrogen_Bond_Acceptor_Count	4
404566	Rotatable_Bond_Count	5
11476460	Covalent_Unit_Count	1
12452042	Hydrogen_Bond_Acceptor_Count	1
5327073	Rotatable_Bond_Count	11
76380	Exact_Mass	350.15180918
71679	Total_Formal_Charge	0
449284	Mono_Isotopic_Weight	384.19501140
68066	Total_Formal_Charge	0
131634760	Defined_Bond_Stereo_Count	0
22447183	XLogP3-AA	3.2
61701	Hydrogen_Bond_Donor_Count	0
5283736	Hydrogen_Bond_Donor_Count	3
90479783	Non-hydrogen_Atom_Count	29
99646540	Total_Formal_Charge	0
22556	XLogP3	4.6
76038	Mono_Isotopic_Weight	394.40354761
21581715	Undefined_Bond_Stereo_Count	0
156588151	Total_Formal_Charge	0
7170	Isotope_Atom_Count	0
30249	XLogP3-AA	4.2
54023535	Isotope_Atom_Count	0
11240435	Defined_Bond_Stereo_Count	0
23991	Mono_Isotopic_Weight	131.90415508
71839	XLogP3-AA	0.5
993	Hydrogen_Bond_Donor_Count	4
31635	Non-hydrogen_Atom_Count	18
23976	Isotope_Atom_Count	0
33657234	Isotope_Atom_Count	0
41552	Mono_Isotopic_Weight	204.115029749
67497	XLogP3-AA	3.9
3055168	Tautomer_Count	5
51397006	Structure_Complexity	606
637997	Hydrogen_Bond_Donor_Count	1
123642549	Undefined_Atom_Stereo_Count	0
87412180	Total_Formal_Charge	0
22386601	Undefined_Bond_Stereo_Count	0
101603227	Structure_Complexity	1410
2460	Rotatable_Bond_Count	8
9808828	Rotatable_Bond_Count	7
318	Exact_Mass	992.513202
443878	Molecular_Weight	475.6
448285	Exact_Mass	359.1070404
518605	Non-hydrogen_Atom_Count	10
36921	Mono_Isotopic_Weight	384.04497858
10079874	Covalent_Unit_Count	1
10785	Total_Formal_Charge	0
24182786	Tautomer_Count	2
12940701	Hydrogen_Bond_Donor_Count	0
12698	Isotope_Atom_Count	0
12175949	Defined_Bond_Stereo_Count	0
62305	Structure_Complexity	956
3049771	Exact_Mass	169.085126602
7067874	Rotatable_Bond_Count	5
24194514	Defined_Bond_Stereo_Count	0
9081	Undefined_Atom_Stereo_Count	2
439369	TPSA	340
156618045	Hydrogen_Bond_Acceptor_Count	11
10131269	Defined_Atom_Stereo_Count	2
24411	Hydrogen_Bond_Donor_Count	0
1219	Undefined_Bond_Stereo_Count	0
2214	Hydrogen_Bond_Donor_Count	1
23617351	Total_Formal_Charge	0
11496886	Hydrogen_Bond_Donor_Count	3
15208461	Non-hydrogen_Atom_Count	7
563049	Hydrogen_Bond_Acceptor_Count	6
31251	Undefined_Bond_Stereo_Count	0
54580844	Exact_Mass	275.12340382
4634922	Covalent_Unit_Count	1
10899025	Isotope_Atom_Count	0
6918485	Hydrogen_Bond_Acceptor_Count	8
5319022	Defined_Bond_Stereo_Count	1
21880519	Undefined_Bond_Stereo_Count	0
572717	Total_Formal_Charge	0
24812721	Molecular_Weight	377.4
53714679	Rotatable_Bond_Count	0
5777	Isotope_Atom_Count	0
20	Exact_Mass	182.05790880
518713	Undefined_Bond_Stereo_Count	0
46782362	Mono_Isotopic_Weight	446.13339966
11657	TPSA	0
441348	Undefined_Atom_Stereo_Count	0
146157761	Defined_Atom_Stereo_Count	3
5366149	Isotope_Atom_Count	0
20231751	Exact_Mass	160.9560951
11045	Undefined_Atom_Stereo_Count	0
10531	Covalent_Unit_Count	1
15258936	Mono_Isotopic_Weight	283.08445790
47825	Defined_Bond_Stereo_Count	0
18137	Exact_Mass	198.07122084
12397138	Defined_Bond_Stereo_Count	0
91682	Hydrogen_Bond_Donor_Count	0
1514290	Defined_Atom_Stereo_Count	0
154214	Defined_Atom_Stereo_Count	2
53701	Hydrogen_Bond_Acceptor_Count	4
2734956	Mono_Isotopic_Weight	159.0450916
3041256	Defined_Atom_Stereo_Count	2
545830	Undefined_Bond_Stereo_Count	0
159747	Structure_Complexity	50.4
80252	Tautomer_Count	1
23167053	TPSA	59
73664614	Rotatable_Bond_Count	0
10180201	Isotope_Atom_Count	0
10384259	Undefined_Bond_Stereo_Count	0
163792693	Undefined_Bond_Stereo_Count	0
14949211	Undefined_Atom_Stereo_Count	0
58689886	Total_Formal_Charge	0
45479680	Non-hydrogen_Atom_Count	55
137075	XLogP3	1.6
167451	TPSA	27.8
3899	Undefined_Bond_Stereo_Count	0
126969054	TPSA	60.7
141251795	Structure_Complexity	162
58373	Mono_Isotopic_Weight	265.110278721
70383887	Mono_Isotopic_Weight	110.073164938
16131191	Undefined_Bond_Stereo_Count	0
2724640	Structure_Complexity	136
10657742	Total_Formal_Charge	0
76960246	Mono_Isotopic_Weight	449.059366
57829	Hydrogen_Bond_Acceptor_Count	1
443366	XLogP3-AA	2.2
6316	TPSA	78.1
675	Hydrogen_Bond_Donor_Count	1
89261068	Structure_Complexity	109
135950975	Isotope_Atom_Count	0
53967	Defined_Atom_Stereo_Count	0
3464	Total_Formal_Charge	0
643836	Defined_Bond_Stereo_Count	1
5311032	Exact_Mass	641.37884898
10410064	Structure_Complexity	686
31353	Defined_Atom_Stereo_Count	0
524217	Hydrogen_Bond_Acceptor_Count	1
23703451	Isotope_Atom_Count	0
165363453	Rotatable_Bond_Count	6
3326923	Molecular_Weight	205.27
79003661	Non-hydrogen_Atom_Count	8
11815296	TPSA	18.5
39609	Non-hydrogen_Atom_Count	28
64948	Exact_Mass	254.11676108
12617365	Exact_Mass	415.0741989
6976	Undefined_Bond_Stereo_Count	0
132837	Undefined_Atom_Stereo_Count	0
5280954	Tautomer_Count	1
6914821	TPSA	67.4
637540	Defined_Bond_Stereo_Count	1
688303	Covalent_Unit_Count	1
34052	Defined_Bond_Stereo_Count	0
6289	Structure_Complexity	516
14511	Exact_Mass	110.073164938
290670	Undefined_Atom_Stereo_Count	8
39593	Total_Formal_Charge	0
3034479	Molecular_Weight	300.37
6433718	Molecular_Weight	829.6
6019	Isotope_Atom_Count	0
6973664	XLogP3-AA	3
119380	Structure_Complexity	163
6540262	Hydrogen_Bond_Acceptor_Count	2
119584	Non-hydrogen_Atom_Count	29
17937355	TPSA	29.5
129642209	Covalent_Unit_Count	2
649	Isotope_Atom_Count	0
9929785	Undefined_Atom_Stereo_Count	0
6444037	Undefined_Atom_Stereo_Count	0
852344	Covalent_Unit_Count	1
15210994	Defined_Atom_Stereo_Count	0
17149	Molecular_Weight	98.19
4453511	Structure_Complexity	417
4314	Covalent_Unit_Count	1
77763	Undefined_Atom_Stereo_Count	0
9956222	Non-hydrogen_Atom_Count	35
53903667	Structure_Complexity	93.2
7932	Defined_Atom_Stereo_Count	0
54180751	Structure_Complexity	85.4
6780	Structure_Complexity	261
129851046	Rotatable_Bond_Count	5
151104	Exact_Mass	232.03480437
67112011	Structure_Complexity	471
88771	Hydrogen_Bond_Donor_Count	0
10240766	Undefined_Atom_Stereo_Count	0
6719	Undefined_Atom_Stereo_Count	0
444913	Non-hydrogen_Atom_Count	66
25828	Defined_Atom_Stereo_Count	0
30858	Undefined_Bond_Stereo_Count	0
3240	Undefined_Bond_Stereo_Count	0
10898648	Covalent_Unit_Count	1
442348	Covalent_Unit_Count	1
10020226	Molecular_Weight	341.79
5492929	Total_Formal_Charge	0
42608159	Hydrogen_Bond_Acceptor_Count	0
369976	Rotatable_Bond_Count	7
17907809	Total_Formal_Charge	0
44603531	Covalent_Unit_Count	1
77676	Total_Formal_Charge	0
20680	Hydrogen_Bond_Donor_Count	0
925253	Hydrogen_Bond_Donor_Count	1
5478927	TPSA	121
44263854	Hydrogen_Bond_Acceptor_Count	8
38260	Structure_Complexity	977
610169	Molecular_Weight	206.47
71721420	Structure_Complexity	95.3
67156338	Undefined_Bond_Stereo_Count	0
15926139	Covalent_Unit_Count	1
94169	Hydrogen_Bond_Donor_Count	9
95433	Defined_Bond_Stereo_Count	0
8069	Hydrogen_Bond_Acceptor_Count	2
45356230	Hydrogen_Bond_Acceptor_Count	2
21869002	Rotatable_Bond_Count	2
3037206	Undefined_Bond_Stereo_Count	0
23378923	Undefined_Bond_Stereo_Count	0
23688907	Molecular_Weight	190.09
17963141	TPSA	87.3
66265	TPSA	12
101099404	Covalent_Unit_Count	1
129652019	Defined_Bond_Stereo_Count	0
53493353	Rotatable_Bond_Count	1
86287524	Covalent_Unit_Count	1
57370827	Isotope_Atom_Count	0
7304	TPSA	4.9
66638	Non-hydrogen_Atom_Count	17
9793735	Molecular_Weight	115.17
76969110	TPSA	355
60825	Total_Formal_Charge	0
780	Undefined_Atom_Stereo_Count	0
101175466	Defined_Atom_Stereo_Count	0
66587064	Structure_Complexity	746
4385	Defined_Bond_Stereo_Count	0
14404	TPSA	28
33137	Isotope_Atom_Count	0
5702628	Hydrogen_Bond_Acceptor_Count	2
9817140	Non-hydrogen_Atom_Count	21
37906	Hydrogen_Bond_Acceptor_Count	3
163432987	Hydrogen_Bond_Acceptor_Count	3
5369129	Hydrogen_Bond_Donor_Count	0
136102	Hydrogen_Bond_Acceptor_Count	1
10240761	Covalent_Unit_Count	1
965784	Exact_Mass	332.9959485
13661819	Non-hydrogen_Atom_Count	7
14822542	Structure_Complexity	457
10329254	XLogP3-AA	1.2
86439	Defined_Bond_Stereo_Count	0
903755	Undefined_Bond_Stereo_Count	0
39212	Rotatable_Bond_Count	9
446308	Isotope_Atom_Count	0
13031981	Hydrogen_Bond_Acceptor_Count	2
558502	Isotope_Atom_Count	0
1548986	TPSA	56.8
48104	Structure_Complexity	276
53407229	Molecular_Weight	101.15
62357	Exact_Mass	442.22564282
6917857	TPSA	83.8
59792626	Defined_Atom_Stereo_Count	0
54601825	Rotatable_Bond_Count	7
41508	Undefined_Bond_Stereo_Count	0
8167	Isotope_Atom_Count	0
131674917	Undefined_Bond_Stereo_Count	0
5460185	Hydrogen_Bond_Acceptor_Count	5
57346808	Defined_Bond_Stereo_Count	0
87646	TPSA	20.2
6016	TPSA	28.5
60208760	Defined_Bond_Stereo_Count	0
129627867	Rotatable_Bond_Count	5
443131	Rotatable_Bond_Count	2
16016	Defined_Bond_Stereo_Count	0
353481	Hydrogen_Bond_Donor_Count	8
69536	Rotatable_Bond_Count	5
62669683	Rotatable_Bond_Count	3
743681	XLogP3-AA	3.7
10466948	Total_Formal_Charge	0
60195902	Total_Formal_Charge	0
23423	XLogP3-AA	5.5
441302	Undefined_Atom_Stereo_Count	0
5599	Non-hydrogen_Atom_Count	15
551191	Undefined_Atom_Stereo_Count	1
70258	Exact_Mass	96.021129366
4727	Covalent_Unit_Count	1
10345790	Total_Formal_Charge	0
71259	TPSA	244
55263	Non-hydrogen_Atom_Count	16
5353355	Mono_Isotopic_Weight	318.21949481
12867	Hydrogen_Bond_Acceptor_Count	2
87470	XLogP3	2.5
439260	Isotope_Atom_Count	0
5284459	Defined_Atom_Stereo_Count	0
9742	Hydrogen_Bond_Acceptor_Count	2
67247849	Defined_Bond_Stereo_Count	0
356063	Mono_Isotopic_Weight	130.062994177
91084145	Total_Formal_Charge	0
49132	Rotatable_Bond_Count	5
162652	Non-hydrogen_Atom_Count	13
2122	Covalent_Unit_Count	1
11285792	Hydrogen_Bond_Acceptor_Count	7
77009	Structure_Complexity	176
72258	Rotatable_Bond_Count	1
76579279	Defined_Bond_Stereo_Count	0
18469777	Non-hydrogen_Atom_Count	7
9883149	Hydrogen_Bond_Donor_Count	1
11522448	Isotope_Atom_Count	0
17439	Defined_Atom_Stereo_Count	0
77084	Defined_Atom_Stereo_Count	0
12382883	TPSA	70.4
52165	Total_Formal_Charge	0
24939268	Undefined_Atom_Stereo_Count	0
101771	Mono_Isotopic_Weight	334.25079494
25249	Rotatable_Bond_Count	0
60834	Molecular_Weight	333.9
20797	Covalent_Unit_Count	1
24946802	Undefined_Atom_Stereo_Count	0
75828	Mono_Isotopic_Weight	265.89008
586	Hydrogen_Bond_Acceptor_Count	3
17345	Undefined_Bond_Stereo_Count	0
6598	Undefined_Atom_Stereo_Count	0
17841655	Rotatable_Bond_Count	0
191519	Covalent_Unit_Count	1
123678537	Hydrogen_Bond_Donor_Count	0
124921374	Covalent_Unit_Count	1
12075598	Exact_Mass	208.05177804
11974440	Undefined_Bond_Stereo_Count	0
240586	Covalent_Unit_Count	1
5460389	Hydrogen_Bond_Donor_Count	2
58376271	Defined_Atom_Stereo_Count	0
2761399	Non-hydrogen_Atom_Count	8
16682828	Undefined_Atom_Stereo_Count	0
122403924	Rotatable_Bond_Count	30
28754	Undefined_Bond_Stereo_Count	0
25154200	Molecular_Weight	397.3
948323	Defined_Bond_Stereo_Count	0
15271454	Structure_Complexity	149
843960	Hydrogen_Bond_Acceptor_Count	3
57395978	Defined_Bond_Stereo_Count	0
117072357	TPSA	231
11187581	Non-hydrogen_Atom_Count	25
11952498	Isotope_Atom_Count	0
403821	Mono_Isotopic_Weight	301.08447515
178024	Hydrogen_Bond_Acceptor_Count	7
98650	Undefined_Atom_Stereo_Count	0
11787114	Molecular_Weight	654.7
15681557	TPSA	106
8317	Total_Formal_Charge	0
54557	XLogP3	2.8
1123	Rotatable_Bond_Count	2
70697627	Undefined_Atom_Stereo_Count	0
82650925	Non-hydrogen_Atom_Count	8
9913968	Hydrogen_Bond_Acceptor_Count	12
141583717	Mono_Isotopic_Weight	583.78329
86912	Hydrogen_Bond_Acceptor_Count	2
13636	Isotope_Atom_Count	0
66251	Molecular_Weight	465.0
18402	Hydrogen_Bond_Acceptor_Count	2
12866541	Exact_Mass	109.052763847
78960	Hydrogen_Bond_Donor_Count	0
136703	Isotope_Atom_Count	0
10937607	Molecular_Weight	108.18
5362736	Defined_Atom_Stereo_Count	0
3413668	TPSA	40.5
53316474	Undefined_Atom_Stereo_Count	0
24871267	Undefined_Atom_Stereo_Count	0
1338	Defined_Bond_Stereo_Count	0
69429	TPSA	59.8
119097769	TPSA	26.3
13594	Hydrogen_Bond_Donor_Count	0
3052777	Non-hydrogen_Atom_Count	25
170993	Hydrogen_Bond_Donor_Count	0
33791	Non-hydrogen_Atom_Count	14
12432039	Mono_Isotopic_Weight	82.053098200
2741	XLogP3	1.6
7479	Non-hydrogen_Atom_Count	11
53970191	Molecular_Weight	112.17
45095	Structure_Complexity	367
71450703	Mono_Isotopic_Weight	496.09403677
136733	Covalent_Unit_Count	1
689013	XLogP3	3.9
15505	Defined_Atom_Stereo_Count	0
6766	Defined_Bond_Stereo_Count	0
5417	Rotatable_Bond_Count	4
16721	Non-hydrogen_Atom_Count	19
62204	XLogP3	2.4
69640	Hydrogen_Bond_Donor_Count	2
169235	Non-hydrogen_Atom_Count	17
136430	Defined_Bond_Stereo_Count	0
77323	XLogP3	1.1
22967002	Rotatable_Bond_Count	0
54584258	Mono_Isotopic_Weight	456.11609
134688043	Hydrogen_Bond_Donor_Count	4
62097	Structure_Complexity	192
49855886	XLogP3-AA	2.3
46936965	XLogP3-AA	0.6
57459334	Structure_Complexity	48.1
6026790	Exact_Mass	594.52232533
331501	Exact_Mass	112.063662883
557796	Rotatable_Bond_Count	0
12285892	Exact_Mass	182.07594159
135779828	Defined_Atom_Stereo_Count	0
12303048	Molecular_Weight	897.8
71932	Structure_Complexity	406
12551763	Isotope_Atom_Count	0
138477	Exact_Mass	146.059246208
24083	Defined_Bond_Stereo_Count	0
59964826	Defined_Atom_Stereo_Count	0
57270176	Defined_Bond_Stereo_Count	0
21599	Undefined_Atom_Stereo_Count	0
19083150	Rotatable_Bond_Count	0
40520	TPSA	46.6
14968895	Defined_Atom_Stereo_Count	0
846130	Hydrogen_Bond_Donor_Count	2
129827902	Covalent_Unit_Count	8
130666299	Defined_Atom_Stereo_Count	0
12415356	TPSA	45.4
91766	TPSA	67.4
11375895	Molecular_Weight	523.8
11029889	Undefined_Bond_Stereo_Count	0
7401	Rotatable_Bond_Count	2
10476254	Exact_Mass	402.0553392
54594622	Total_Formal_Charge	0
6956367	Isotope_Atom_Count	0
92139	Hydrogen_Bond_Donor_Count	0
2211	Isotope_Atom_Count	0
79878	Hydrogen_Bond_Acceptor_Count	5
20385080	Covalent_Unit_Count	1
151114	Rotatable_Bond_Count	1
8654	Undefined_Bond_Stereo_Count	0
163779583	XLogP3-AA	1.7
132274074	Molecular_Weight	1620.7
5816	Undefined_Bond_Stereo_Count	0
578771	Covalent_Unit_Count	1
26421	TPSA	20.3
92934	Undefined_Atom_Stereo_Count	0
1765	Hydrogen_Bond_Acceptor_Count	13
222549	Defined_Atom_Stereo_Count	4
1549018	Mono_Isotopic_Weight	164.120115130
64423	Structure_Complexity	365
12200	Total_Formal_Charge	0
132777208	Mono_Isotopic_Weight	342.11621151
13573329	Total_Formal_Charge	0
4025	TPSA	64.1
7680	Undefined_Bond_Stereo_Count	0
3080653	Molecular_Weight	1036.1
133126687	Total_Formal_Charge	0
60196281	Tautomer_Count	28
9942133	Covalent_Unit_Count	1
10051341	Hydrogen_Bond_Donor_Count	1
75024	Isotope_Atom_Count	0
77531	Defined_Atom_Stereo_Count	0
76507	Undefined_Bond_Stereo_Count	0
19338	Structure_Complexity	241
440175	Defined_Bond_Stereo_Count	0
51356843	Defined_Bond_Stereo_Count	0
27627	Exact_Mass	98.073164938
57869404	Non-hydrogen_Atom_Count	8
21041053	Hydrogen_Bond_Donor_Count	0
878	Mono_Isotopic_Weight	48.00337130
28207	Tautomer_Count	3
3457331	Undefined_Bond_Stereo_Count	0
73114967	Exact_Mass	114.068079557
3000667	Total_Formal_Charge	0
15032818	Molecular_Weight	106.16
7172	Mono_Isotopic_Weight	167.094628657
21545139	Defined_Atom_Stereo_Count	0
5359853	TPSA	74.6
21996	Defined_Bond_Stereo_Count	0
23665760	Exact_Mass	73.9535366
57750418	Exact_Mass	382.19173754
12940701	Tautomer_Count	1
21187507	Undefined_Bond_Stereo_Count	0
958	Undefined_Bond_Stereo_Count	7
6344	Mono_Isotopic_Weight	83.9533555
55604	Hydrogen_Bond_Donor_Count	0
2384	Undefined_Atom_Stereo_Count	0
24762165	Covalent_Unit_Count	1
5460185	Exact_Mass	298.18791464
77342	Total_Formal_Charge	0
20054964	Rotatable_Bond_Count	12
23236224	Defined_Bond_Stereo_Count	0
6549	Molecular_Weight	154.25
108242	Structure_Complexity	375
91772	Undefined_Atom_Stereo_Count	0
54598431	Isotope_Atom_Count	0
19933060	TPSA	34.1
123462301	Structure_Complexity	53.5
14885960	Hydrogen_Bond_Acceptor_Count	6
49855683	Undefined_Atom_Stereo_Count	0
104522	Undefined_Atom_Stereo_Count	0
42602176	Isotope_Atom_Count	0
7530950	Defined_Atom_Stereo_Count	3
167266	Defined_Bond_Stereo_Count	0
10887879	Hydrogen_Bond_Acceptor_Count	2
7667	Hydrogen_Bond_Donor_Count	0
279451	TPSA	41.1
20782671	TPSA	9.2
41022	Defined_Bond_Stereo_Count	0
12546498	Hydrogen_Bond_Donor_Count	0
5281894	Mono_Isotopic_Weight	238.062994177
7267	Undefined_Bond_Stereo_Count	0
91867648	Isotope_Atom_Count	1
11521070	Hydrogen_Bond_Donor_Count	1
23519822	Hydrogen_Bond_Donor_Count	3
131664136	Defined_Atom_Stereo_Count	0
33376	Defined_Atom_Stereo_Count	0
81981	Total_Formal_Charge	0
149514711	Molecular_Weight	112.17
215	Hydrogen_Bond_Donor_Count	1
642344	Hydrogen_Bond_Acceptor_Count	2
688043	Rotatable_Bond_Count	1
411312	Rotatable_Bond_Count	6
643587	Total_Formal_Charge	0
19802062	Total_Formal_Charge	0
13408099	Covalent_Unit_Count	1
7736	TPSA	29.3
21219660	Structure_Complexity	52.1
61489	Hydrogen_Bond_Acceptor_Count	8
17691	Isotope_Atom_Count	0
49869312	Defined_Bond_Stereo_Count	0
139595130	Hydrogen_Bond_Donor_Count	11
705645	Hydrogen_Bond_Donor_Count	1
11527	Hydrogen_Bond_Donor_Count	1
11083859	Defined_Atom_Stereo_Count	0
65565	Tautomer_Count	45
23654	Covalent_Unit_Count	1
4498	Hydrogen_Bond_Donor_Count	2
54581904	Hydrogen_Bond_Acceptor_Count	4
448577	TPSA	87.5
4024	Total_Formal_Charge	0
129721137	Defined_Atom_Stereo_Count	6
694856	Rotatable_Bond_Count	1
567098	Hydrogen_Bond_Acceptor_Count	1
49967	Covalent_Unit_Count	1
119185	Total_Formal_Charge	0
29927670	Isotope_Atom_Count	0
86790	Molecular_Weight	250.31
3018793	Covalent_Unit_Count	1
185460	Defined_Bond_Stereo_Count	0
8271	Covalent_Unit_Count	1
91555191	Hydrogen_Bond_Acceptor_Count	0
40973	Isotope_Atom_Count	0
18000118	Isotope_Atom_Count	0
86890	Non-hydrogen_Atom_Count	60
162349	Total_Formal_Charge	0
69168745	Undefined_Atom_Stereo_Count	0
45488115	Defined_Bond_Stereo_Count	0
27816	Isotope_Atom_Count	0
70695634	TPSA	96.2
20662793	Hydrogen_Bond_Acceptor_Count	1
11675994	Exact_Mass	413.19485467
77922	Exact_Mass	117.078978594
44560772	XLogP3-AA	1.5
457831	XLogP3-AA	0.6
47035	Rotatable_Bond_Count	4
139938268	Undefined_Atom_Stereo_Count	1
123914282	Covalent_Unit_Count	1
68638786	Covalent_Unit_Count	2
22502	Hydrogen_Bond_Donor_Count	4
57370827	Tautomer_Count	1
2844	Total_Formal_Charge	0
11040652	Hydrogen_Bond_Donor_Count	0
61109	Tautomer_Count	1
67259738	Undefined_Atom_Stereo_Count	0
10887857	Covalent_Unit_Count	1
439224	Mono_Isotopic_Weight	226.10659032
23661960	Molecular_Weight	160.21
2020	Isotope_Atom_Count	0
994872	Rotatable_Bond_Count	8
5282549	Total_Formal_Charge	0
53315588	Structure_Complexity	1210
86566	Undefined_Bond_Stereo_Count	0
13694931	Covalent_Unit_Count	1
5314123	Mono_Isotopic_Weight	96.057514874
461399	Mono_Isotopic_Weight	409.1004755
21921	Structure_Complexity	6
162413	Defined_Atom_Stereo_Count	0
6299	Mono_Isotopic_Weight	404.413049667
10329304	Hydrogen_Bond_Donor_Count	0
9859	Hydrogen_Bond_Acceptor_Count	2
6588	Rotatable_Bond_Count	1
19665	Rotatable_Bond_Count	7
8633	Total_Formal_Charge	0
1530	Undefined_Bond_Stereo_Count	0
57112474	Undefined_Atom_Stereo_Count	1
13867380	Exact_Mass	113.00884817
135989	Molecular_Weight	82.14
589409	Defined_Atom_Stereo_Count	0
7523	Isotope_Atom_Count	0
31767	Mono_Isotopic_Weight	274.18925731
222516	Hydrogen_Bond_Donor_Count	2
51755	Structure_Complexity	500
10960	Defined_Bond_Stereo_Count	0
12753	Undefined_Atom_Stereo_Count	0
21721168	Mono_Isotopic_Weight	129.01878364
24714	Rotatable_Bond_Count	9
5311055	Tautomer_Count	1
5371728	Molecular_Weight	369.6
24883466	TPSA	279
54581335	Structure_Complexity	514
10350317	Undefined_Atom_Stereo_Count	0
54693768	Defined_Bond_Stereo_Count	0
73449854	Mono_Isotopic_Weight	636.15196282
68254185	Isotope_Atom_Count	0
27278	TPSA	24.4
36921	Rotatable_Bond_Count	5
25015694	Non-hydrogen_Atom_Count	36
8791	Non-hydrogen_Atom_Count	21
145925690	Total_Formal_Charge	0
231934	Undefined_Atom_Stereo_Count	0
16220111	Total_Formal_Charge	0
4345065	Exact_Mass	872.44457755
116842112	Hydrogen_Bond_Acceptor_Count	1
22015260	Rotatable_Bond_Count	2
179336	Defined_Bond_Stereo_Count	0
76223445	Hydrogen_Bond_Donor_Count	1
60942	Undefined_Atom_Stereo_Count	6
58158	Defined_Atom_Stereo_Count	0
342570	Undefined_Bond_Stereo_Count	0
9084	Defined_Atom_Stereo_Count	0
15408	Structure_Complexity	262
50856	Exact_Mass	216.1029409
4144353	Hydrogen_Bond_Acceptor_Count	4
7370	Tautomer_Count	1
78557	TPSA	9.7
12771232	Molecular_Weight	114.10
9794712	Rotatable_Bond_Count	6
36688209	Hydrogen_Bond_Acceptor_Count	4
123550154	Structure_Complexity	562
84506	Exact_Mass	234.06405680
413504	Defined_Bond_Stereo_Count	0
424747	Hydrogen_Bond_Acceptor_Count	3
11715	Structure_Complexity	42.2
15689	Undefined_Bond_Stereo_Count	0
12635	Isotope_Atom_Count	0
19784166	Total_Formal_Charge	0
97375	Undefined_Bond_Stereo_Count	0
60196431	Exact_Mass	360.1259001
12385064	Undefined_Bond_Stereo_Count	0
101630689	Rotatable_Bond_Count	6
20764676	Structure_Complexity	116
2762906	TPSA	33.1
10498206	Mono_Isotopic_Weight	352.215078140
151404	Isotope_Atom_Count	0
3164136	Covalent_Unit_Count	1
6030	Exact_Mass	324.03586699
4037	Covalent_Unit_Count	1
19603047	Molecular_Weight	114.19
859174	Rotatable_Bond_Count	4
16047027	Structure_Complexity	954
66636	Total_Formal_Charge	0
60155367	Exact_Mass	385.21138974
21162823	Exact_Mass	102.068079557
5462501	TPSA	107
9975824	Molecular_Weight	361.16
23671430	Hydrogen_Bond_Acceptor_Count	3
60303	Non-hydrogen_Atom_Count	25
615	Mono_Isotopic_Weight	230.01915430
165754425	Covalent_Unit_Count	1
69340339	Structure_Complexity	76.8
13587	Hydrogen_Bond_Donor_Count	0
133633	Structure_Complexity	416
578771	Hydrogen_Bond_Donor_Count	2
6433588	Undefined_Atom_Stereo_Count	0
5459319	Exact_Mass	525.24750046
57572416	Undefined_Atom_Stereo_Count	1
3661	Exact_Mass	289.16779360
32597	TPSA	38.3
170359	Isotope_Atom_Count	0
129229305	Undefined_Bond_Stereo_Count	0
78904	Covalent_Unit_Count	1
163659	Tautomer_Count	700
91439614	Defined_Atom_Stereo_Count	0
141103237	Non-hydrogen_Atom_Count	8
60702934	Covalent_Unit_Count	1
6533	Defined_Atom_Stereo_Count	0
17455	Exact_Mass	394.19556569
441276	Defined_Atom_Stereo_Count	10
54020544	Mono_Isotopic_Weight	99.032028402
439711	Hydrogen_Bond_Donor_Count	1
6022	Molecular_Weight	427.20
28102	Non-hydrogen_Atom_Count	23
57391720	Structure_Complexity	1150
90346255	Hydrogen_Bond_Acceptor_Count	6
518700	Defined_Bond_Stereo_Count	0
25008593	Isotope_Atom_Count	0
70106	Hydrogen_Bond_Donor_Count	0
157706	Structure_Complexity	137
70789202	Defined_Atom_Stereo_Count	0
160743752	Molecular_Weight	108.14
17996772	Isotope_Atom_Count	0
680036	Isotope_Atom_Count	0
69808	Undefined_Atom_Stereo_Count	0
23677829	Defined_Atom_Stereo_Count	0
21844441	Defined_Atom_Stereo_Count	0
18850	Exact_Mass	82.078250319
146158974	Defined_Bond_Stereo_Count	0
86811213	XLogP3-AA	0.9
573117	Tautomer_Count	1
53318420	Mono_Isotopic_Weight	434.11227030
3118	Total_Formal_Charge	0
67849	Hydrogen_Bond_Donor_Count	0
20172	Rotatable_Bond_Count	2
83478498	Hydrogen_Bond_Donor_Count	1
2724	Defined_Atom_Stereo_Count	0
12649776	Structure_Complexity	74.1
1387	XLogP3-AA	0.6
3474	Defined_Atom_Stereo_Count	0
8196	Covalent_Unit_Count	1
101316975	Structure_Complexity	1070
5289517	Defined_Bond_Stereo_Count	0
821327	Undefined_Atom_Stereo_Count	0
23985	Defined_Atom_Stereo_Count	0
2774693	TPSA	58.2
11719003	Rotatable_Bond_Count	7
701016	Non-hydrogen_Atom_Count	19
22475	Mono_Isotopic_Weight	360.1582628
20499147	Undefined_Atom_Stereo_Count	1
123969926	Undefined_Bond_Stereo_Count	0
5282182	Rotatable_Bond_Count	15
247818	Defined_Atom_Stereo_Count	0
3784	Tautomer_Count	5
1471775	Mono_Isotopic_Weight	396.12561169
13019077	Exact_Mass	416.32904526
3777	Covalent_Unit_Count	1
3862	Covalent_Unit_Count	1
86439	Undefined_Atom_Stereo_Count	0
3038512	Mono_Isotopic_Weight	380.19607403
71622657	Structure_Complexity	345
9446	Defined_Bond_Stereo_Count	0
12316	Defined_Atom_Stereo_Count	0
105427002	Non-hydrogen_Atom_Count	8
5388906	Rotatable_Bond_Count	8
6440900	Exact_Mass	156.04225873
716312	Total_Formal_Charge	0
139243813	Undefined_Bond_Stereo_Count	0
43366	Undefined_Bond_Stereo_Count	0
501640	Hydrogen_Bond_Acceptor_Count	5
11292963	Defined_Atom_Stereo_Count	6
56683653	Defined_Atom_Stereo_Count	0
54081	Hydrogen_Bond_Acceptor_Count	3
3082717	Isotope_Atom_Count	0
164511668	Mono_Isotopic_Weight	230.02355192
36255	Non-hydrogen_Atom_Count	29
447815	XLogP3-AA	2
9746	Undefined_Atom_Stereo_Count	0
71587119	Rotatable_Bond_Count	12
718449	Defined_Atom_Stereo_Count	1
20849243	Structure_Complexity	223
642324	XLogP3-AA	1.4
107	Undefined_Bond_Stereo_Count	0
148676572	Isotope_Atom_Count	0
53629499	Isotope_Atom_Count	0
1714204	Isotope_Atom_Count	0
84420187	Rotatable_Bond_Count	1
54456063	Rotatable_Bond_Count	2
70480850	Non-hydrogen_Atom_Count	8
7443	Covalent_Unit_Count	1
69777941	Non-hydrogen_Atom_Count	12
161829	XLogP3	7.7
611370	Isotope_Atom_Count	0
77529	Structure_Complexity	138
77515	Hydrogen_Bond_Donor_Count	0
17858	Undefined_Bond_Stereo_Count	0
88209	TPSA	37.3
24986999	Defined_Atom_Stereo_Count	4
13785328	XLogP3-AA	3.6
67512	Molecular_Weight	112.17
9816	Undefined_Bond_Stereo_Count	0
88267	Defined_Atom_Stereo_Count	0
54421	Defined_Bond_Stereo_Count	0
9699	Exact_Mass	133.090292168
445468	Total_Formal_Charge	0
941651	Covalent_Unit_Count	1
23653584	Total_Formal_Charge	0
12285892	Non-hydrogen_Atom_Count	12
124013	Molecular_Weight	319.18
62788	Defined_Bond_Stereo_Count	0
285375	Rotatable_Bond_Count	2
21430317	Undefined_Atom_Stereo_Count	2
1179	Exact_Mass	836.27523133
129019256	Isotope_Atom_Count	0
31336	Defined_Atom_Stereo_Count	1
3015937	Structure_Complexity	104
2342	Structure_Complexity	582
16120	Covalent_Unit_Count	1
83979	Mono_Isotopic_Weight	543.17406074
11625425	XLogP3-AA	3.4
129861997	Undefined_Bond_Stereo_Count	0
535480	Defined_Bond_Stereo_Count	0
101598717	Defined_Bond_Stereo_Count	0
3657	Structure_Complexity	42.9
69690	Hydrogen_Bond_Donor_Count	0
25835	XLogP3-AA	7.5
6433110	Hydrogen_Bond_Donor_Count	2
13794997	Defined_Atom_Stereo_Count	0
8359	Isotope_Atom_Count	0
13348970	Undefined_Atom_Stereo_Count	0
9548810	Isotope_Atom_Count	0
10953432	XLogP3-AA	0.6
67106798	Undefined_Atom_Stereo_Count	0
93771	Covalent_Unit_Count	1
53737519	Non-hydrogen_Atom_Count	7
89421960	Defined_Atom_Stereo_Count	0
22706689	Rotatable_Bond_Count	1
94885	Non-hydrogen_Atom_Count	13
32350	Hydrogen_Bond_Acceptor_Count	12
11207	Non-hydrogen_Atom_Count	5
6857538	Defined_Atom_Stereo_Count	2
25261	Tautomer_Count	1
9457	Defined_Atom_Stereo_Count	2
85920	Total_Formal_Charge	0
12695618	Rotatable_Bond_Count	0
20417	Non-hydrogen_Atom_Count	8
3082717	Tautomer_Count	1
62705687	Non-hydrogen_Atom_Count	33
90730816	Mono_Isotopic_Weight	83.073499291
87454072	Mono_Isotopic_Weight	100.027277375
12111	Mono_Isotopic_Weight	200.083729621
81058	Hydrogen_Bond_Acceptor_Count	2
24838310	Hydrogen_Bond_Donor_Count	3
90643	Covalent_Unit_Count	1
23034	Non-hydrogen_Atom_Count	32
527013	TPSA	23.6
6604365	Hydrogen_Bond_Acceptor_Count	3
135398604	Hydrogen_Bond_Acceptor_Count	10
20605391	Covalent_Unit_Count	1
57560	Total_Formal_Charge	0
15983553	Molecular_Weight	455.5
53232849	Structure_Complexity	96.3
10527347	Covalent_Unit_Count	1
3002120	Mono_Isotopic_Weight	702.29817356
9934033	TPSA	70.2
11234052	XLogP3-AA	3
12563	Exact_Mass	168.093900383
91851108	Non-hydrogen_Atom_Count	23
58513815	Defined_Atom_Stereo_Count	0
94910	Rotatable_Bond_Count	6
135410917	Undefined_Bond_Stereo_Count	0
6516	Mono_Isotopic_Weight	190.10252097
75800	Defined_Atom_Stereo_Count	0
24891701	Rotatable_Bond_Count	5
6540277	Hydrogen_Bond_Acceptor_Count	5
87075443	Undefined_Bond_Stereo_Count	0
12251	Undefined_Bond_Stereo_Count	0
2540	Hydrogen_Bond_Donor_Count	1
101497	Undefined_Bond_Stereo_Count	0
51358375	Undefined_Bond_Stereo_Count	0
154222492	Mono_Isotopic_Weight	114.042927438
17074527	Defined_Atom_Stereo_Count	0
3033825	Rotatable_Bond_Count	3
2160	Hydrogen_Bond_Acceptor_Count	1
89390	Molecular_Weight	329.3
547096	Hydrogen_Bond_Acceptor_Count	1
94972	Total_Formal_Charge	0
2978	TPSA	29.5
11256720	Rotatable_Bond_Count	3
147577	Molecular_Weight	400.6
80165	Isotope_Atom_Count	0
139079484	Defined_Atom_Stereo_Count	0
50925541	Mono_Isotopic_Weight	405.1277759
46911863	Undefined_Atom_Stereo_Count	0
1094	Hydrogen_Bond_Acceptor_Count	5
23649154	Rotatable_Bond_Count	4
6604902	Molecular_Weight	465.9
85786508	TPSA	20.2
40898	Non-hydrogen_Atom_Count	8
20662793	Isotope_Atom_Count	0
53316394	Non-hydrogen_Atom_Count	22
6839	Defined_Bond_Stereo_Count	0
69437	Exact_Mass	332.156500638
6973628	TPSA	17.1
662	Defined_Bond_Stereo_Count	0
86083878	Mono_Isotopic_Weight	94.078250319
16404350	Hydrogen_Bond_Acceptor_Count	12
6474640	Hydrogen_Bond_Donor_Count	7
104842	Hydrogen_Bond_Acceptor_Count	6
54725318	TPSA	113
4441	TPSA	225
3567233	Isotope_Atom_Count	0
62926	Molecular_Weight	350.4
3877	Tautomer_Count	3
439299	Structure_Complexity	367
66412	TPSA	21.6
3080818	TPSA	59.4
815404	Isotope_Atom_Count	0
5483631	Non-hydrogen_Atom_Count	1
5280970	Covalent_Unit_Count	1
136102	Non-hydrogen_Atom_Count	9
6915944	Hydrogen_Bond_Donor_Count	4
7916	Hydrogen_Bond_Acceptor_Count	2
89388	Exact_Mass	222.08920892
12477	XLogP3	2.1
5452	Undefined_Bond_Stereo_Count	0
20680	Tautomer_Count	1
15239624	Undefined_Atom_Stereo_Count	0
123779218	Non-hydrogen_Atom_Count	8
135442196	Mono_Isotopic_Weight	803.09524014
53264	Undefined_Atom_Stereo_Count	0
28852	Hydrogen_Bond_Acceptor_Count	7
34949	Molecular_Weight	304.6
129651290	Non-hydrogen_Atom_Count	31
377339	Hydrogen_Bond_Acceptor_Count	5
16158103	Structure_Complexity	3420
85821087	Hydrogen_Bond_Acceptor_Count	0
68280040	Defined_Atom_Stereo_Count	0
146681183	Undefined_Bond_Stereo_Count	0
123911014	Undefined_Atom_Stereo_Count	0
5811	Undefined_Atom_Stereo_Count	0
4027	Covalent_Unit_Count	1
138860	XLogP3-AA	1.6
62322	Hydrogen_Bond_Donor_Count	0
75777	Hydrogen_Bond_Donor_Count	0
130145308	Covalent_Unit_Count	1
22120552	Defined_Atom_Stereo_Count	0
16058637	Isotope_Atom_Count	0
140269	TPSA	0
72157	Non-hydrogen_Atom_Count	18
68975085	Defined_Atom_Stereo_Count	0
129711468	Undefined_Atom_Stereo_Count	1
107196	Defined_Bond_Stereo_Count	0
7766	XLogP3	1.2
517045	Molecular_Weight	82.03
45488107	Exact_Mass	445.11618739
3083943	Tautomer_Count	1
54586718	Mono_Isotopic_Weight	313.17902698
19822625	Structure_Complexity	41.4
56962215	Rotatable_Bond_Count	0
6426740	Structure_Complexity	675
954443	Mono_Isotopic_Weight	291.0581549
2771758	Tautomer_Count	7
91582439	Isotope_Atom_Count	0
139348436	Covalent_Unit_Count	1
197942	Defined_Bond_Stereo_Count	0
23684896	Covalent_Unit_Count	2
90714454	TPSA	29.5
11542	Exact_Mass	100.125200510
9889366	Exact_Mass	438.16469979
5329098	XLogP3-AA	2.5
73442840	Total_Formal_Charge	0
4340561	Non-hydrogen_Atom_Count	7
7861	Structure_Complexity	17.2
11497646	Defined_Bond_Stereo_Count	0
156326	Structure_Complexity	363
5283335	Non-hydrogen_Atom_Count	10
18696583	Defined_Atom_Stereo_Count	0
3776755	Total_Formal_Charge	1
19360868	Undefined_Atom_Stereo_Count	1
15208461	Undefined_Bond_Stereo_Count	0
188414	Structure_Complexity	109
5311053	Undefined_Atom_Stereo_Count	0
5702690	Covalent_Unit_Count	3
5850	Non-hydrogen_Atom_Count	17
4978	Total_Formal_Charge	0
23662264	TPSA	23.1
3881	Structure_Complexity	445
11803	Total_Formal_Charge	0
98042	Isotope_Atom_Count	0
9907847	Isotope_Atom_Count	0
127748	Mono_Isotopic_Weight	386.09027155
26923	Molecular_Weight	150.23
4456	Undefined_Atom_Stereo_Count	0
5113032	Molecular_Weight	248.71
35407	Hydrogen_Bond_Acceptor_Count	2
53321035	Defined_Bond_Stereo_Count	1
12453	Undefined_Atom_Stereo_Count	0
53904133	Defined_Atom_Stereo_Count	0
15482356	Undefined_Atom_Stereo_Count	1
13612	Defined_Bond_Stereo_Count	0
12295224	Non-hydrogen_Atom_Count	8
5282745	Hydrogen_Bond_Acceptor_Count	2
652019	Isotope_Atom_Count	0
9971980	Total_Formal_Charge	0
24765256	Structure_Complexity	1550
20298	Molecular_Weight	354.0
13620760	Covalent_Unit_Count	1
59557732	Isotope_Atom_Count	0
53232451	Structure_Complexity	513
10161381	Defined_Bond_Stereo_Count	0
2787	Covalent_Unit_Count	1
21900379	Structure_Complexity	61.5
87870846	Defined_Bond_Stereo_Count	0
16219944	Undefined_Atom_Stereo_Count	0
54567078	Exact_Mass	101.084063974
10076806	Mono_Isotopic_Weight	573.17228466
13092476	Non-hydrogen_Atom_Count	8
75443	Rotatable_Bond_Count	2
1107	Mono_Isotopic_Weight	248.214015512
1413	Rotatable_Bond_Count	14
23670359	Structure_Complexity	377
3048339	TPSA	23.5
528612	Exact_Mass	113.084063974
58387740	Rotatable_Bond_Count	3
6436658	Molecular_Weight	1001.1
20841747	Structure_Complexity	64.9
71695437	Non-hydrogen_Atom_Count	6
92154	Exact_Mass	189.078978594
53290	Undefined_Atom_Stereo_Count	0
702695	Undefined_Atom_Stereo_Count	0
19348604	Covalent_Unit_Count	1
6920223	Exact_Mass	122.024203370
26757	Structure_Complexity	195
3776	Hydrogen_Bond_Donor_Count	1
40895	Isotope_Atom_Count	0
10251906	Covalent_Unit_Count	1
522834	Hydrogen_Bond_Donor_Count	0
76539	Total_Formal_Charge	0
60966	Covalent_Unit_Count	2
13844108	Isotope_Atom_Count	0
4616	Non-hydrogen_Atom_Count	20
101250074	Undefined_Bond_Stereo_Count	0
5276520	Total_Formal_Charge	0
6604557	Undefined_Bond_Stereo_Count	0
89350	Defined_Atom_Stereo_Count	0
1549	Isotope_Atom_Count	0
271814	Mono_Isotopic_Weight	256.146329876
616573	Hydrogen_Bond_Donor_Count	1
123664524	Defined_Atom_Stereo_Count	0
139759	Structure_Complexity	0
6919173	Total_Formal_Charge	0
96135	Undefined_Bond_Stereo_Count	0
24699	Undefined_Atom_Stereo_Count	1
61410	TPSA	26.3
58516110	Covalent_Unit_Count	1
14298876	Exact_Mass	86.084398327
101148	XLogP3	1.8
65793	Undefined_Bond_Stereo_Count	0
20581047	Undefined_Atom_Stereo_Count	2
55285315	Defined_Atom_Stereo_Count	0
73182	Non-hydrogen_Atom_Count	11
56619338	Molecular_Weight	170.08
46203139	Isotope_Atom_Count	0
69021	Total_Formal_Charge	0
69049742	TPSA	145
28213	Undefined_Atom_Stereo_Count	0
94378	Undefined_Bond_Stereo_Count	0
6230	Defined_Atom_Stereo_Count	6
5477380	Hydrogen_Bond_Acceptor_Count	7
2650	Non-hydrogen_Atom_Count	37
22178543	Covalent_Unit_Count	1
3093785	Structure_Complexity	217
12201380	TPSA	30.7
443870	Defined_Atom_Stereo_Count	0
115089	Total_Formal_Charge	0
9269197	Mono_Isotopic_Weight	379.20082506
919792	Defined_Bond_Stereo_Count	0
104981	Defined_Atom_Stereo_Count	0
5460544	Mono_Isotopic_Weight	145.03750770
4495	XLogP3	2.6
436542	Rotatable_Bond_Count	1
71961	Hydrogen_Bond_Donor_Count	6
65584	Undefined_Atom_Stereo_Count	0
8225	Defined_Bond_Stereo_Count	0
10618	Undefined_Bond_Stereo_Count	0
4369414	Hydrogen_Bond_Donor_Count	1
13838145	Total_Formal_Charge	0
85787089	XLogP3-AA	0.7
80277	Total_Formal_Charge	0
29878	Mono_Isotopic_Weight	183.03539970
5389	XLogP3-AA	2.9
9915861	Non-hydrogen_Atom_Count	41
13037934	Isotope_Atom_Count	0
53678703	Molecular_Weight	112.13
167297	Molecular_Weight	660.7
7714	Molecular_Weight	184.27
20055342	Hydrogen_Bond_Acceptor_Count	14
518733	Total_Formal_Charge	0
712421	Undefined_Atom_Stereo_Count	0
22856	Defined_Bond_Stereo_Count	0
44249711	Mono_Isotopic_Weight	114.068079557
68552	Undefined_Bond_Stereo_Count	0
25164075	Mono_Isotopic_Weight	382.02932852
16684927	Hydrogen_Bond_Donor_Count	0
71457010	Rotatable_Bond_Count	5
580328	Covalent_Unit_Count	1
18551400	Total_Formal_Charge	0
627812	Undefined_Atom_Stereo_Count	1
66634681	Defined_Atom_Stereo_Count	0
2239	Covalent_Unit_Count	1
2618	Mono_Isotopic_Weight	454.03001448
27119	Undefined_Atom_Stereo_Count	0
45120389	Defined_Bond_Stereo_Count	0
24759	Rotatable_Bond_Count	12
10556	Tautomer_Count	1
135392460	Rotatable_Bond_Count	0
1524	XLogP3-AA	1.3
13664	Covalent_Unit_Count	1
34698	Mono_Isotopic_Weight	656.15636224
12217323	Molecular_Weight	168.18
5359541	Non-hydrogen_Atom_Count	7
10960	Undefined_Atom_Stereo_Count	0
44137686	Covalent_Unit_Count	1
7085	Non-hydrogen_Atom_Count	21
9810873	Exact_Mass	775.42686180
31246	Tautomer_Count	2
9800555	TPSA	97.1
139586083	Hydrogen_Bond_Donor_Count	16
9577230	Rotatable_Bond_Count	16
6327546	Rotatable_Bond_Count	4
116047519	Molecular_Weight	113.16
68901	TPSA	121
439231	Undefined_Bond_Stereo_Count	0
5282745	Non-hydrogen_Atom_Count	18
139292186	Defined_Bond_Stereo_Count	2
26193	Defined_Atom_Stereo_Count	0
10797	Isotope_Atom_Count	0
11860544	Rotatable_Bond_Count	1
9024	Mono_Isotopic_Weight	192.115029749
24838350	Structure_Complexity	867
134688573	Covalent_Unit_Count	1
122316	Defined_Bond_Stereo_Count	0
44349142	Undefined_Bond_Stereo_Count	0
8991	Molecular_Weight	152.15
40467346	Structure_Complexity	830
3388710	Defined_Bond_Stereo_Count	0
59557415	Non-hydrogen_Atom_Count	8
20266	Tautomer_Count	4
66855878	Undefined_Atom_Stereo_Count	1
91686	Hydrogen_Bond_Donor_Count	0
3034047	Defined_Atom_Stereo_Count	2
92884	Molecular_Weight	189.12
57394210	Rotatable_Bond_Count	8
66662059	TPSA	88.6
128600	Isotope_Atom_Count	0
16237	Rotatable_Bond_Count	5
5484444	XLogP3	2.9
74236	Hydrogen_Bond_Donor_Count	0
138950	Defined_Atom_Stereo_Count	0
67437	Non-hydrogen_Atom_Count	11
5454	TPSA	77.5
107971	Rotatable_Bond_Count	4
2437245	Molecular_Weight	180.20
48080	Exact_Mass	419.1288213
5284515	Non-hydrogen_Atom_Count	29
115237	Isotope_Atom_Count	0
135459971	Hydrogen_Bond_Donor_Count	4
2733797	Defined_Atom_Stereo_Count	5
15221251	Non-hydrogen_Atom_Count	23
5357479	Hydrogen_Bond_Donor_Count	1
54682938	Mono_Isotopic_Weight	527.22676502
10662	Covalent_Unit_Count	1
16911	Covalent_Unit_Count	1
40549	Undefined_Atom_Stereo_Count	0
2898	Hydrogen_Bond_Acceptor_Count	4
16907	Defined_Bond_Stereo_Count	0
6712744	Covalent_Unit_Count	1
64184	Undefined_Atom_Stereo_Count	2
16051921	Non-hydrogen_Atom_Count	26
129720561	Structure_Complexity	102
439224	Structure_Complexity	259
72277	Isotope_Atom_Count	0
6887	XLogP3-AA	4.4
20561716	Molecular_Weight	97.08
9548590	Structure_Complexity	600
56208	Isotope_Atom_Count	0
135444498	Molecular_Weight	152.19
447480	Defined_Atom_Stereo_Count	0
21637412	Non-hydrogen_Atom_Count	30
17004	TPSA	20.2
10295295	Undefined_Bond_Stereo_Count	0
85945952	Defined_Bond_Stereo_Count	0
131731747	Non-hydrogen_Atom_Count	13
9270	Exact_Mass	384.23005950
1491	Isotope_Atom_Count	0
716995	Non-hydrogen_Atom_Count	20
10019998	Defined_Bond_Stereo_Count	0
5581	Covalent_Unit_Count	1
6436606	Rotatable_Bond_Count	10
440266	Tautomer_Count	2
69338	Hydrogen_Bond_Donor_Count	1
95455	Total_Formal_Charge	0
45255840	TPSA	38.8
11908489	Mono_Isotopic_Weight	342.11621151
6051	Non-hydrogen_Atom_Count	15
156963344	Covalent_Unit_Count	1
19422150	Undefined_Atom_Stereo_Count	1
15034633	Defined_Atom_Stereo_Count	0
10398490	Covalent_Unit_Count	1
637894	Non-hydrogen_Atom_Count	7
23571381	Hydrogen_Bond_Donor_Count	1
5283335	Defined_Atom_Stereo_Count	0
18941761	Molecular_Weight	96.13
10162742	Exact_Mass	478.30562448
14829	Total_Formal_Charge	0
119921	Isotope_Atom_Count	0
5368010	Hydrogen_Bond_Donor_Count	0
11734	Undefined_Atom_Stereo_Count	1
52105	Defined_Bond_Stereo_Count	0
144369145	Undefined_Atom_Stereo_Count	0
61972	Isotope_Atom_Count	0
7371	Defined_Bond_Stereo_Count	0
9843640	Isotope_Atom_Count	0
11040632	Defined_Atom_Stereo_Count	0
763185	Mono_Isotopic_Weight	254.178298710
69215	Isotope_Atom_Count	0
89027474	Hydrogen_Bond_Donor_Count	0
45116667	Isotope_Atom_Count	0
184830	Hydrogen_Bond_Acceptor_Count	2
12971800	Defined_Atom_Stereo_Count	1
46216142	Rotatable_Bond_Count	3
6324604	Mono_Isotopic_Weight	457.1880675
79919	Total_Formal_Charge	0
585999	Non-hydrogen_Atom_Count	19
694	Exact_Mass	122.048012819
14985	Structure_Complexity	503
6070	Undefined_Atom_Stereo_Count	0
2787	Hydrogen_Bond_Donor_Count	2
65084	Molecular_Weight	306.27
16135415	Hydrogen_Bond_Acceptor_Count	46
18684901	Hydrogen_Bond_Acceptor_Count	3
358	Undefined_Bond_Stereo_Count	0
85922476	Structure_Complexity	99.6
5172	Rotatable_Bond_Count	4
5365909	Defined_Atom_Stereo_Count	0
23672329	Undefined_Atom_Stereo_Count	0
15565266	Hydrogen_Bond_Donor_Count	2
52949543	Molecular_Weight	439.4
701923	Defined_Atom_Stereo_Count	1
23274317	Undefined_Bond_Stereo_Count	0
135508048	Covalent_Unit_Count	1
398597	Rotatable_Bond_Count	7
79117672	Undefined_Bond_Stereo_Count	0
163677749	Hydrogen_Bond_Donor_Count	0
893673	Defined_Atom_Stereo_Count	0
91267	Covalent_Unit_Count	1
10243599	Hydrogen_Bond_Acceptor_Count	4
3389	Hydrogen_Bond_Donor_Count	0
100940066	Undefined_Bond_Stereo_Count	0
13879722	Exact_Mass	102.031694049
14679811	Undefined_Bond_Stereo_Count	0
23680396	Non-hydrogen_Atom_Count	38
5280804	Non-hydrogen_Atom_Count	33
23010495	Mono_Isotopic_Weight	284.16237386
64646	Covalent_Unit_Count	5
181749	Non-hydrogen_Atom_Count	7
4390	Tautomer_Count	1
16211559	Total_Formal_Charge	0
3985	Undefined_Bond_Stereo_Count	0
6451	TPSA	92.2
59772	Molecular_Weight	413.5
136037280	Defined_Atom_Stereo_Count	0
74534	Isotope_Atom_Count	0
518234	Hydrogen_Bond_Donor_Count	0
19100566	TPSA	32.3
121235738	Hydrogen_Bond_Acceptor_Count	7
6420010	Undefined_Bond_Stereo_Count	0
6434253	Structure_Complexity	688
122706285	Hydrogen_Bond_Donor_Count	4
95125	Rotatable_Bond_Count	4
12847948	Structure_Complexity	83.7
53704432	Structure_Complexity	72.9
14020437	Structure_Complexity	80.2
58516110	Hydrogen_Bond_Donor_Count	2
10311306	Hydrogen_Bond_Acceptor_Count	9
72070	Tautomer_Count	1
33919	Structure_Complexity	414
13065	Hydrogen_Bond_Acceptor_Count	0
23693092	Hydrogen_Bond_Acceptor_Count	6
12387212	Covalent_Unit_Count	1
5893	Isotope_Atom_Count	0
13072114	Hydrogen_Bond_Acceptor_Count	9
15081	Defined_Bond_Stereo_Count	0
44563068	Isotope_Atom_Count	0
14532111	Isotope_Atom_Count	0
6608	Rotatable_Bond_Count	2
91612119	Covalent_Unit_Count	1
76852230	Hydrogen_Bond_Donor_Count	3
11412863	Defined_Bond_Stereo_Count	0
13379958	Hydrogen_Bond_Acceptor_Count	1
20326	Non-hydrogen_Atom_Count	23
126969105	Undefined_Bond_Stereo_Count	0
151194	Hydrogen_Bond_Acceptor_Count	4
6102731	Rotatable_Bond_Count	10
133938	Defined_Atom_Stereo_Count	0
4913256	Non-hydrogen_Atom_Count	7
124009347	Isotope_Atom_Count	0
135686255	Total_Formal_Charge	0
44719848	Hydrogen_Bond_Acceptor_Count	1
7966	Defined_Bond_Stereo_Count	0
80396	Total_Formal_Charge	0
63622	Defined_Bond_Stereo_Count	0
22081700	Hydrogen_Bond_Donor_Count	1
444031	Covalent_Unit_Count	1
644131	Hydrogen_Bond_Donor_Count	6
94179	Tautomer_Count	1
45085421	Molecular_Weight	132.23
2347	Exact_Mass	312.13615911
657289	Hydrogen_Bond_Acceptor_Count	16
15808	Structure_Complexity	178
7158	Undefined_Atom_Stereo_Count	1
25133630	Undefined_Bond_Stereo_Count	0
137942834	Defined_Atom_Stereo_Count	0
69336	Hydrogen_Bond_Acceptor_Count	3
55284642	Molecular_Weight	82.10
18743	Undefined_Atom_Stereo_Count	0
16211460	Total_Formal_Charge	0
57254473	Defined_Bond_Stereo_Count	0
993	Rotatable_Bond_Count	1
64423	Covalent_Unit_Count	2
547678	Mono_Isotopic_Weight	116.047344113
34756	Rotatable_Bond_Count	7
79004	Undefined_Atom_Stereo_Count	1
67615455	Undefined_Atom_Stereo_Count	2
57029485	Total_Formal_Charge	0
29228	Undefined_Atom_Stereo_Count	0
10499446	TPSA	72.5
3055174	Hydrogen_Bond_Acceptor_Count	8
1551	Isotope_Atom_Count	0
23279022	Exact_Mass	102.115698455
21493122	Mono_Isotopic_Weight	96.068748264
470375	Molecular_Weight	428.4
534204	Non-hydrogen_Atom_Count	7
22978371	Mono_Isotopic_Weight	109.052763847
20894	Mono_Isotopic_Weight	157.13274550
79324217	Total_Formal_Charge	0
52999	Mono_Isotopic_Weight	381.07430439
46863	Mono_Isotopic_Weight	234.961448
160280695	Defined_Atom_Stereo_Count	0
88890027	Rotatable_Bond_Count	1
104766	Covalent_Unit_Count	1
11329359	TPSA	112
123888456	Isotope_Atom_Count	0
61208	XLogP3-AA	1
62237	Mono_Isotopic_Weight	118.04523611
18370	Rotatable_Bond_Count	1
656667	Mono_Isotopic_Weight	541.1979634
136270342	Molecular_Weight	99.09
8766	Undefined_Atom_Stereo_Count	0
5878	Defined_Bond_Stereo_Count	0
8424	Covalent_Unit_Count	1
37901	TPSA	76
72286622	Rotatable_Bond_Count	3
6950337	XLogP3	1.3
123658	Covalent_Unit_Count	1
401234	Total_Formal_Charge	0
29701	Total_Formal_Charge	0
12803	Molecular_Weight	164.25
98488	Undefined_Bond_Stereo_Count	0
162291	Defined_Atom_Stereo_Count	0
15715913	Rotatable_Bond_Count	3
70555429	Molecular_Weight	96.09
58208	Defined_Bond_Stereo_Count	0
9890250	TPSA	83.1
1616	Non-hydrogen_Atom_Count	14
104729	Hydrogen_Bond_Acceptor_Count	0
5340	TPSA	122
67818	Mono_Isotopic_Weight	363.9768954
24770445	Undefined_Bond_Stereo_Count	0
543129	Hydrogen_Bond_Donor_Count	1
165286	Rotatable_Bond_Count	0
47104	Total_Formal_Charge	0
6015	Non-hydrogen_Atom_Count	27
637593	Hydrogen_Bond_Acceptor_Count	1
513955	Hydrogen_Bond_Donor_Count	4
545127	Hydrogen_Bond_Donor_Count	0
44419427	Covalent_Unit_Count	1
480953	Non-hydrogen_Atom_Count	36
19892314	Exact_Mass	363.19804835
98047	Defined_Bond_Stereo_Count	0
22757346	Hydrogen_Bond_Donor_Count	0
8743	Mono_Isotopic_Weight	183.01677226
92395	Defined_Atom_Stereo_Count	0
3467	Total_Formal_Charge	0
3375	Isotope_Atom_Count	0
46795	Molecular_Weight	302.21
546996	Tautomer_Count	1
9923162	XLogP3-AA	2.3
854150	XLogP3	3.1
441409	Molecular_Weight	484.4
6857497	Molecular_Weight	227.34
102515495	Isotope_Atom_Count	0
11741	Defined_Atom_Stereo_Count	0
6433356	Total_Formal_Charge	0
5281521	Structure_Complexity	307
69341308	Defined_Bond_Stereo_Count	0
60196381	Defined_Bond_Stereo_Count	0
55286252	Hydrogen_Bond_Acceptor_Count	3
3340152	Structure_Complexity	115
6539039	Total_Formal_Charge	0
18622348	Undefined_Atom_Stereo_Count	0
89484493	Defined_Atom_Stereo_Count	0
535722	Hydrogen_Bond_Acceptor_Count	1
57800	Rotatable_Bond_Count	5
176505	Undefined_Atom_Stereo_Count	2
21864164	Hydrogen_Bond_Acceptor_Count	3
9851505	XLogP3	1.7
13052471	Structure_Complexity	205
54350955	Undefined_Bond_Stereo_Count	0
443382	Defined_Atom_Stereo_Count	2
59296000	XLogP3-AA	3.8
11974	Undefined_Bond_Stereo_Count	0
12698	Defined_Atom_Stereo_Count	0
475341	Hydrogen_Bond_Acceptor_Count	3
15496999	Covalent_Unit_Count	1
11930	XLogP3-AA	6.8
12228201	XLogP3-AA	0.2
16212773	Mono_Isotopic_Weight	354.15646954
1549002	Molecular_Weight	290.4
12217061	Molecular_Weight	97.12
54684141	Exact_Mass	270.06161202
693315	Rotatable_Bond_Count	5
54680692	Defined_Bond_Stereo_Count	0
44558863	Isotope_Atom_Count	0
87853465	Undefined_Bond_Stereo_Count	0
30945	Exact_Mass	98.036779430
80622	Non-hydrogen_Atom_Count	7
135544137	Exact_Mass	471.10349652
12942137	Molecular_Weight	301.5
12251381	Non-hydrogen_Atom_Count	8
517441	Non-hydrogen_Atom_Count	11
1787910	Undefined_Bond_Stereo_Count	0
18062	Molecular_Weight	194.27
7055	TPSA	0
2723866	Molecular_Weight	215.63
443753	TPSA	219
21792546	Molecular_Weight	246.21
84720	Total_Formal_Charge	0
521491	Covalent_Unit_Count	1
11582651	Defined_Atom_Stereo_Count	1
13140652	Isotope_Atom_Count	0
10290754	Molecular_Weight	102.14
624041	Undefined_Bond_Stereo_Count	0
88398	Mono_Isotopic_Weight	87.104799419
138231	Structure_Complexity	28.7
20726704	Hydrogen_Bond_Donor_Count	0
97660	Total_Formal_Charge	0
51025660	Isotope_Atom_Count	0
5287	Undefined_Bond_Stereo_Count	5
44277532	Covalent_Unit_Count	1
5280451	Isotope_Atom_Count	0
17787271	Structure_Complexity	135
837924	XLogP3-AA	4.2
17616	Molecular_Weight	168.23
71668	Hydrogen_Bond_Acceptor_Count	2
123732032	Isotope_Atom_Count	0
3047822	XLogP3-AA	0.5
4422	Isotope_Atom_Count	0
13214	Hydrogen_Bond_Donor_Count	0
13438404	XLogP3-AA	0.2
129738033	Mono_Isotopic_Weight	256.06703418
10898703	Non-hydrogen_Atom_Count	7
73538	TPSA	67.5
4363	Undefined_Bond_Stereo_Count	0
76487	Hydrogen_Bond_Acceptor_Count	5
92174	Defined_Bond_Stereo_Count	0
719704	Molecular_Weight	192.21
126963478	XLogP3-AA	2.5
70684819	Hydrogen_Bond_Acceptor_Count	5
4590704	Non-hydrogen_Atom_Count	14
12285889	TPSA	110
73949	Hydrogen_Bond_Donor_Count	1
7262	Undefined_Atom_Stereo_Count	0
96227	Non-hydrogen_Atom_Count	16
45488112	Exact_Mass	456.14092497
24180714	Defined_Bond_Stereo_Count	0
14510872	Hydrogen_Bond_Acceptor_Count	2
199855	TPSA	44
53384442	Molecular_Weight	416.4
36690486	Undefined_Bond_Stereo_Count	0
25263055	Mono_Isotopic_Weight	237.10010796
18518868	Isotope_Atom_Count	0
13908	Molecular_Weight	216.26
3877	Hydrogen_Bond_Acceptor_Count	4
63935844	Undefined_Bond_Stereo_Count	0
12632903	Molecular_Weight	83.13
123173	Defined_Atom_Stereo_Count	0
6871216	Covalent_Unit_Count	1
13826	Mono_Isotopic_Weight	118.04907545
48483	Defined_Bond_Stereo_Count	0
20056430	Total_Formal_Charge	0
117045887	Defined_Bond_Stereo_Count	0
64715	Tautomer_Count	2
449459	Defined_Bond_Stereo_Count	1
19077552	Exact_Mass	303.162314293
9799888	Defined_Atom_Stereo_Count	0
3085106	Molecular_Weight	564.0
21192822	Non-hydrogen_Atom_Count	29
23616669	Structure_Complexity	296
16131448	Isotope_Atom_Count	0
60196336	Undefined_Bond_Stereo_Count	0
123309341	Hydrogen_Bond_Acceptor_Count	2
4427	Covalent_Unit_Count	1
5311504	Exact_Mass	428.23514488
60196330	Total_Formal_Charge	0
248898	Molecular_Weight	317.4
6944	Undefined_Bond_Stereo_Count	0
160243	Structure_Complexity	390
750284	Hydrogen_Bond_Donor_Count	1
5212856	Non-hydrogen_Atom_Count	20
134694648	Rotatable_Bond_Count	9
51021	Hydrogen_Bond_Acceptor_Count	5
123190012	Defined_Bond_Stereo_Count	0
6443803	Isotope_Atom_Count	0
16221343	Hydrogen_Bond_Acceptor_Count	10
5704083	Non-hydrogen_Atom_Count	23
11424151	Hydrogen_Bond_Acceptor_Count	2
9803963	Defined_Atom_Stereo_Count	0
998021	Hydrogen_Bond_Acceptor_Count	6
62155	Undefined_Bond_Stereo_Count	2
30630	Undefined_Atom_Stereo_Count	0
5281612	Defined_Atom_Stereo_Count	0
637796	Defined_Bond_Stereo_Count	1
88209	Exact_Mass	203.9744848
53664307	Mono_Isotopic_Weight	102.079312947
69578	Exact_Mass	94.00303452
12344	Mono_Isotopic_Weight	130.099379685
4323	Defined_Bond_Stereo_Count	0
17753851	Covalent_Unit_Count	1
11375895	Undefined_Bond_Stereo_Count	0
44193111	Hydrogen_Bond_Donor_Count	1
73957	Non-hydrogen_Atom_Count	22
16217535	Hydrogen_Bond_Donor_Count	8
514	Molecular_Weight	483.3
84647602	Hydrogen_Bond_Donor_Count	1
439950	Defined_Bond_Stereo_Count	0
5289613	Tautomer_Count	6
5357696	Molecular_Weight	85.468
1382059	Rotatable_Bond_Count	1
127243400	Exact_Mass	733.52411623
26533	Isotope_Atom_Count	0
56683653	Defined_Bond_Stereo_Count	0
23276	Tautomer_Count	1
4900	Rotatable_Bond_Count	2
592645	Covalent_Unit_Count	1
123678021	Undefined_Atom_Stereo_Count	0
20861	Molecular_Weight	134.17
162246	XLogP3-AA	4.7
10364	Tautomer_Count	9
12317347	Defined_Atom_Stereo_Count	0
5233031	Molecular_Weight	303.2
9870843	Defined_Atom_Stereo_Count	2
7937	Exact_Mass	107.073499291
15188270	XLogP3-AA	0.6
11084068	TPSA	20.2
15739356	Undefined_Atom_Stereo_Count	0
44814423	Hydrogen_Bond_Donor_Count	4
69591	Hydrogen_Bond_Donor_Count	1
14142596	Isotope_Atom_Count	0
4739	Structure_Complexity	356
92764	Exact_Mass	254.109550447
769	Isotope_Atom_Count	0
12533146	Non-hydrogen_Atom_Count	6
6631	Non-hydrogen_Atom_Count	14
533460	Undefined_Bond_Stereo_Count	0
25262965	Defined_Atom_Stereo_Count	2
67711	Defined_Atom_Stereo_Count	0
40846	Molecular_Weight	492.5
638105	Undefined_Bond_Stereo_Count	0
91586	Rotatable_Bond_Count	2
21943994	Hydrogen_Bond_Acceptor_Count	11
5366149	Structure_Complexity	70.1
6951563	Non-hydrogen_Atom_Count	11
19784587	Undefined_Atom_Stereo_Count	1
9160	Hydrogen_Bond_Donor_Count	1
46936405	Mono_Isotopic_Weight	316.07022733
16051951	Defined_Atom_Stereo_Count	9
5207587	Structure_Complexity	6.1
9597	Rotatable_Bond_Count	3
12262514	Defined_Atom_Stereo_Count	0
133268473	Isotope_Atom_Count	0
140519105	Molecular_Weight	97.12
5363095	Undefined_Bond_Stereo_Count	0
3035218	Hydrogen_Bond_Donor_Count	7
354785	Total_Formal_Charge	0
11508058	Hydrogen_Bond_Donor_Count	0
134129845	Hydrogen_Bond_Donor_Count	12
1211493	Molecular_Weight	282.12
994360	Hydrogen_Bond_Donor_Count	1
6713972	Covalent_Unit_Count	1
11932	Defined_Bond_Stereo_Count	0
3047830	Hydrogen_Bond_Acceptor_Count	3
57095141	TPSA	21.3
6674	Mono_Isotopic_Weight	402.24062418
9895035	Isotope_Atom_Count	0
65028	Rotatable_Bond_Count	8
80220	Exact_Mass	166.04907545
67893	Structure_Complexity	75
477	Covalent_Unit_Count	1
139079010	Mono_Isotopic_Weight	510.21144931
14660056	Non-hydrogen_Atom_Count	7
52393	Mono_Isotopic_Weight	339.1965069
5702546	Defined_Atom_Stereo_Count	8
8800	Exact_Mass	198.0559907
68948183	Hydrogen_Bond_Donor_Count	1
135565106	Hydrogen_Bond_Donor_Count	2
90898717	Rotatable_Bond_Count	0
3958	TPSA	61.7
59907918	Exact_Mass	342.11621151
64813	Exact_Mass	178.099379685
58562	Undefined_Bond_Stereo_Count	0
54394679	Defined_Bond_Stereo_Count	0
27503	Non-hydrogen_Atom_Count	36
56662035	Defined_Atom_Stereo_Count	0
20326	Defined_Atom_Stereo_Count	0
19431	Molecular_Weight	273.12
20841747	Defined_Atom_Stereo_Count	0
44560807	Defined_Bond_Stereo_Count	0
725300	Total_Formal_Charge	0
58831415	Undefined_Atom_Stereo_Count	4
57545	Rotatable_Bond_Count	7
10801933	Exact_Mass	97.089149355
165946121	Non-hydrogen_Atom_Count	8
11073371	Isotope_Atom_Count	0
68094	Hydrogen_Bond_Acceptor_Count	3
1390	Defined_Atom_Stereo_Count	0
133637885	Total_Formal_Charge	0
111026	Tautomer_Count	1
3017698	Non-hydrogen_Atom_Count	17
6922967	XLogP3	0.9
68216	Total_Formal_Charge	0
5252324	Structure_Complexity	421
6445562	Hydrogen_Bond_Acceptor_Count	7
13379958	XLogP3-AA	0.6
5364495	TPSA	17.1
11243536	Exact_Mass	300.0796186
6437842	Undefined_Atom_Stereo_Count	1
17572160	Defined_Bond_Stereo_Count	9
126843179	Hydrogen_Bond_Donor_Count	4
10364	Covalent_Unit_Count	1
132228	Undefined_Bond_Stereo_Count	0
82987	Undefined_Atom_Stereo_Count	0
32802	Covalent_Unit_Count	1
3855171	Structure_Complexity	375
111878	TPSA	35.2
45357	Non-hydrogen_Atom_Count	17
103079114	Total_Formal_Charge	0
65612	Mono_Isotopic_Weight	354.17658463
13778	XLogP3-AA	1.4
23631982	Covalent_Unit_Count	1
133121364	Undefined_Atom_Stereo_Count	3
9821	Undefined_Bond_Stereo_Count	0
5564	Molecular_Weight	289.5
126704391	Hydrogen_Bond_Donor_Count	5
73919	Hydrogen_Bond_Acceptor_Count	1
85515	Mono_Isotopic_Weight	108.043596145
99798	Covalent_Unit_Count	1
135979919	XLogP3-AA	4.1
76305	Structure_Complexity	171
139145	Structure_Complexity	409
8153	Isotope_Atom_Count	0
94357	Isotope_Atom_Count	0
101663894	TPSA	121
79476	Structure_Complexity	242
69253	Defined_Bond_Stereo_Count	0
1932	Defined_Atom_Stereo_Count	0
249502	Defined_Atom_Stereo_Count	0
5668	Covalent_Unit_Count	1
12943708	Hydrogen_Bond_Acceptor_Count	1
550655	Hydrogen_Bond_Donor_Count	0
4008	TPSA	117
67668	Structure_Complexity	231
75786	Undefined_Bond_Stereo_Count	0
6469	Defined_Bond_Stereo_Count	0
6440178	XLogP3-AA	2
23585071	Covalent_Unit_Count	1
11755113	Undefined_Atom_Stereo_Count	1
36354	TPSA	27.6
83295	Non-hydrogen_Atom_Count	29
166775	Rotatable_Bond_Count	13
4146595	Defined_Atom_Stereo_Count	0
2640	Rotatable_Bond_Count	7
5281810	Tautomer_Count	10
19786354	Hydrogen_Bond_Donor_Count	0
32872	XLogP3	4.1
117190135	TPSA	61.3
135461939	Molecular_Weight	270.24
107751	XLogP3-AA	3.3
219833	Rotatable_Bond_Count	1
56675694	Non-hydrogen_Atom_Count	28
65600	Total_Formal_Charge	0
86289068	Rotatable_Bond_Count	0
5625	Covalent_Unit_Count	1
71311389	Exact_Mass	257.925853
40585	Undefined_Bond_Stereo_Count	0
1006	Undefined_Atom_Stereo_Count	2
84078	Hydrogen_Bond_Acceptor_Count	7
299643	Undefined_Bond_Stereo_Count	0
43013	Structure_Complexity	208
10432339	Hydrogen_Bond_Acceptor_Count	6
49869037	Isotope_Atom_Count	0
57397810	Defined_Bond_Stereo_Count	0
643964	Total_Formal_Charge	0
533662	TPSA	9.2
448400	Undefined_Bond_Stereo_Count	0
28506	Mono_Isotopic_Weight	212.094963011
1544	Rotatable_Bond_Count	22
170944	Rotatable_Bond_Count	0
439286	Undefined_Atom_Stereo_Count	0
75530159	Structure_Complexity	173
88890036	Rotatable_Bond_Count	1
5114908	Hydrogen_Bond_Acceptor_Count	1
91236903	Hydrogen_Bond_Donor_Count	0
68654	Molecular_Weight	481.4
16217112	TPSA	110
1415	Total_Formal_Charge	0
13184281	Non-hydrogen_Atom_Count	8
24848920	Exact_Mass	303.19467705
136703	Defined_Atom_Stereo_Count	0
5388962	Non-hydrogen_Atom_Count	27
12634653	XLogP3-AA	1.9
65111	Covalent_Unit_Count	1
78358485	Covalent_Unit_Count	1
12275054	Non-hydrogen_Atom_Count	8
76460	Exact_Mass	714.51294241
6603	Mono_Isotopic_Weight	155.167399674
16051935	Hydrogen_Bond_Acceptor_Count	12
168365	Non-hydrogen_Atom_Count	2
22751786	Undefined_Atom_Stereo_Count	0
110806	TPSA	46.5
53436345	Total_Formal_Charge	0
52660	Hydrogen_Bond_Donor_Count	1
12425338	Defined_Atom_Stereo_Count	0
4927	Defined_Bond_Stereo_Count	0
11142	Rotatable_Bond_Count	1
20306902	Covalent_Unit_Count	1
123672484	Structure_Complexity	78.6
3603687	XLogP3-AA	1.1
134931805	Hydrogen_Bond_Donor_Count	0
544627	Undefined_Atom_Stereo_Count	0
141360553	Undefined_Atom_Stereo_Count	2
700865	Isotope_Atom_Count	0
156460742	Mono_Isotopic_Weight	117.078978594
94242	Hydrogen_Bond_Donor_Count	0
165588672	Total_Formal_Charge	0
57358854	Exact_Mass	295.09245548
79642	Molecular_Weight	231.63
145707274	Hydrogen_Bond_Donor_Count	1
380929	Total_Formal_Charge	0
64303	Hydrogen_Bond_Acceptor_Count	3
6951123	TPSA	49.3
154809629	Defined_Bond_Stereo_Count	0
2764838	Undefined_Bond_Stereo_Count	0
11477442	Tautomer_Count	1
62930	Total_Formal_Charge	0
46202743	XLogP3-AA	3.3
12253800	Molecular_Weight	116.16
25129043	Structure_Complexity	829
137530132	Exact_Mass	531.17327
6251	Defined_Bond_Stereo_Count	0
20093425	TPSA	54.7
776222	Mono_Isotopic_Weight	182.084398327
95343	Structure_Complexity	227
23236224	Rotatable_Bond_Count	0
95883	Covalent_Unit_Count	1
24974448	Mono_Isotopic_Weight	95.037113783
36833	Rotatable_Bond_Count	14
101194	Molecular_Weight	113.16
5326971	Rotatable_Bond_Count	7
16122612	TPSA	17
166931	Tautomer_Count	1
13398	Hydrogen_Bond_Donor_Count	0
42863	Isotope_Atom_Count	0
11488729	Hydrogen_Bond_Donor_Count	0
11634725	Tautomer_Count	44
295971	Tautomer_Count	1
9614919	Rotatable_Bond_Count	3
22	Exact_Mass	132.04225873
49937	XLogP3-AA	1.4
55285816	Rotatable_Bond_Count	1
70695759	Hydrogen_Bond_Donor_Count	3
11979956	Rotatable_Bond_Count	20
56659408	Structure_Complexity	615
24737670	Rotatable_Bond_Count	5
92253	Structure_Complexity	321
13860601	Molecular_Weight	114.19
17807258	Molecular_Weight	113.08
16682935	Mono_Isotopic_Weight	352.997587
40469136	Isotope_Atom_Count	0
10482134	Defined_Atom_Stereo_Count	0
53846436	Defined_Bond_Stereo_Count	0
10374415	Hydrogen_Bond_Acceptor_Count	1
1807	Mono_Isotopic_Weight	210.94802
41663	Isotope_Atom_Count	0
3811100	Tautomer_Count	2
19896519	Covalent_Unit_Count	1
11102	Rotatable_Bond_Count	22
20200448	Undefined_Bond_Stereo_Count	0
6399027	Exact_Mass	115.026943022
87446	Tautomer_Count	14
39212	Mono_Isotopic_Weight	491.18793473
129710762	TPSA	59.1
98648	Hydrogen_Bond_Donor_Count	1
12871456	Defined_Atom_Stereo_Count	0
44404657	Rotatable_Bond_Count	11
6420130	Defined_Atom_Stereo_Count	2
9746	XLogP3	0.8
6493	Mono_Isotopic_Weight	102.104465066
65432	Defined_Bond_Stereo_Count	0
44359653	Defined_Atom_Stereo_Count	9
11659	Exact_Mass	241.77233
556836	Hydrogen_Bond_Acceptor_Count	1
21889252	TPSA	46.5
25380	Defined_Bond_Stereo_Count	0
1549103	Covalent_Unit_Count	1
48807	Hydrogen_Bond_Acceptor_Count	3
11137	Hydrogen_Bond_Acceptor_Count	3
5767	Total_Formal_Charge	0
75987474	Rotatable_Bond_Count	3
147983909	Covalent_Unit_Count	1
56666742	Isotope_Atom_Count	0
129905275	Hydrogen_Bond_Acceptor_Count	8
141631	Hydrogen_Bond_Donor_Count	0
7431	Undefined_Bond_Stereo_Count	0
179334	Tautomer_Count	2
13734208	Undefined_Bond_Stereo_Count	0
10630	Hydrogen_Bond_Acceptor_Count	3
68392349	Undefined_Bond_Stereo_Count	0
14385	Covalent_Unit_Count	1
21473742	Exact_Mass	107.048347172
134694981	Rotatable_Bond_Count	8
23349	Undefined_Bond_Stereo_Count	0
61375	Molecular_Weight	156.22
9973799	Isotope_Atom_Count	0
3641	Structure_Complexity	786
129761	Hydrogen_Bond_Donor_Count	2
20526784	Hydrogen_Bond_Donor_Count	2
7648	Defined_Atom_Stereo_Count	0
13245088	Molecular_Weight	114.14
23666830	Undefined_Atom_Stereo_Count	1
66678	Total_Formal_Charge	0
3750	Defined_Bond_Stereo_Count	0
968645	Molecular_Weight	247.33
15266968	Defined_Atom_Stereo_Count	0
67242631	Structure_Complexity	161
14809959	Isotope_Atom_Count	0
9579	Non-hydrogen_Atom_Count	12
71661882	Molecular_Weight	605.1
71356	Defined_Bond_Stereo_Count	0
12933751	Covalent_Unit_Count	1
124019740	Undefined_Bond_Stereo_Count	0
15561101	Molecular_Weight	172.18
57401151	Covalent_Unit_Count	1
123336	Structure_Complexity	51.5
833854	Structure_Complexity	338
71031	Mono_Isotopic_Weight	250.01222190
3803614	Defined_Atom_Stereo_Count	0
135418174	Rotatable_Bond_Count	2
72444506	Undefined_Bond_Stereo_Count	0
3527278	Defined_Atom_Stereo_Count	0
5231234	Covalent_Unit_Count	1
77288	Hydrogen_Bond_Acceptor_Count	1
54245381	Structure_Complexity	59.5
105031	TPSA	101
64402	Undefined_Atom_Stereo_Count	5
135413536	Undefined_Bond_Stereo_Count	0
65422334	Exact_Mass	114.104465066
70690020	Non-hydrogen_Atom_Count	31
5724	Covalent_Unit_Count	1
11338127	Mono_Isotopic_Weight	385.15387487
9753	Defined_Bond_Stereo_Count	0
23087	XLogP3	2.4
278	Covalent_Unit_Count	1
9810773	Covalent_Unit_Count	2
39700	Rotatable_Bond_Count	4
560126	TPSA	21.2
71360804	Structure_Complexity	272
72732	Covalent_Unit_Count	1
225	Rotatable_Bond_Count	0
505711	Defined_Bond_Stereo_Count	0
91069096	Structure_Complexity	129
58182899	Isotope_Atom_Count	0
4101	TPSA	13
11804701	Structure_Complexity	97
642669	Exact_Mass	224.11609238
93480	Isotope_Atom_Count	0
24529	Defined_Bond_Stereo_Count	0
11476460	Mono_Isotopic_Weight	450.08529741
12609623	Defined_Bond_Stereo_Count	0
11513733	Molecular_Weight	82.06
2285	Isotope_Atom_Count	0
68437	TPSA	44.8
17691	Defined_Atom_Stereo_Count	0
13214	Tautomer_Count	1
124068	Hydrogen_Bond_Donor_Count	4
54567078	Defined_Bond_Stereo_Count	0
133134	Mono_Isotopic_Weight	554.28528295
57345538	Covalent_Unit_Count	1
61179	Molecular_Weight	345.65
91864465	Defined_Atom_Stereo_Count	4
62695	Tautomer_Count	1
387316	TPSA	132
11521070	TPSA	29.1
5271566	Defined_Atom_Stereo_Count	0
1710	TPSA	40.5
39521	Total_Formal_Charge	0
42070	Hydrogen_Bond_Acceptor_Count	2
80788	Defined_Atom_Stereo_Count	0
179336	Rotatable_Bond_Count	0
8926	Tautomer_Count	1
61141	Undefined_Bond_Stereo_Count	0
54587659	Hydrogen_Bond_Acceptor_Count	5
93321	Molecular_Weight	348.5
25052023	Isotope_Atom_Count	0
9900	Defined_Atom_Stereo_Count	0
2724025	Hydrogen_Bond_Acceptor_Count	2
11513721	Defined_Bond_Stereo_Count	1
3906961	Isotope_Atom_Count	0
49849523	Hydrogen_Bond_Donor_Count	1
83975	Exact_Mass	331.17835828
53456	Mono_Isotopic_Weight	249.07495584
26445	Isotope_Atom_Count	0
15798651	Hydrogen_Bond_Donor_Count	0
69046	XLogP3-AA	3.6
14456	TPSA	27.7
122051	Undefined_Bond_Stereo_Count	0
115171944	Covalent_Unit_Count	1
75252	Total_Formal_Charge	0
74079	Hydrogen_Bond_Acceptor_Count	4
58189	Total_Formal_Charge	0
59561	XLogP3-AA	2.6
328257	Mono_Isotopic_Weight	97.052763847
2117002	Rotatable_Bond_Count	5
85056	Defined_Bond_Stereo_Count	0
12958096	Total_Formal_Charge	0
67533	Mono_Isotopic_Weight	338.1316542
11589920	Total_Formal_Charge	0
14923234	Total_Formal_Charge	0
93563	TPSA	17.1
4621	TPSA	64.1
111314	Total_Formal_Charge	0
441035	Undefined_Bond_Stereo_Count	0
131954773	Hydrogen_Bond_Acceptor_Count	9
10125445	Undefined_Bond_Stereo_Count	0
7571	Isotope_Atom_Count	0
98043896	Non-hydrogen_Atom_Count	30
236	TPSA	106
53477715	Molecular_Weight	639.5
17117	Undefined_Atom_Stereo_Count	0
17432	Exact_Mass	245.918817
9570327	Covalent_Unit_Count	1
25273215	TPSA	52.8
73920	Mono_Isotopic_Weight	342.06405680
3824	Covalent_Unit_Count	1
65332	Defined_Bond_Stereo_Count	0
665063	Non-hydrogen_Atom_Count	25
456255	Undefined_Atom_Stereo_Count	0
61953	Covalent_Unit_Count	1
20393266	TPSA	24.6
41017	Tautomer_Count	1
154724068	Non-hydrogen_Atom_Count	12
123309341	Rotatable_Bond_Count	0
5192	Mono_Isotopic_Weight	202.12050905
10057444	Exact_Mass	86.036779430
48288	Covalent_Unit_Count	1
135332658	Undefined_Bond_Stereo_Count	0
12103	Isotope_Atom_Count	0
10182969	Structure_Complexity	777
142552	Defined_Atom_Stereo_Count	0
37049	Molecular_Weight	342.5
54676228	Rotatable_Bond_Count	2
160244305	Mono_Isotopic_Weight	1201.84136802
12576587	Structure_Complexity	78.1
398593	Hydrogen_Bond_Donor_Count	2
5460797	Covalent_Unit_Count	1
591313	XLogP3	5.1
13028028	Total_Formal_Charge	0
30973	Defined_Bond_Stereo_Count	0
81512	Structure_Complexity	65.1
5359423	Total_Formal_Charge	0
55288363	TPSA	29.1
21954793	Defined_Bond_Stereo_Count	0
66071945	Hydrogen_Bond_Acceptor_Count	2
72099	Undefined_Bond_Stereo_Count	0
17754089	Isotope_Atom_Count	0
102	Molecular_Weight	124.14
15950520	Undefined_Bond_Stereo_Count	0
5057599	TPSA	230
71167	Hydrogen_Bond_Acceptor_Count	1
16600	Undefined_Bond_Stereo_Count	0
56453	Defined_Bond_Stereo_Count	0
283	Isotope_Atom_Count	0
102362828	Total_Formal_Charge	0
13418386	Non-hydrogen_Atom_Count	8
238498	Covalent_Unit_Count	1
61029	Defined_Bond_Stereo_Count	0
71310415	Defined_Atom_Stereo_Count	0
63141	Defined_Bond_Stereo_Count	0
114911	Undefined_Bond_Stereo_Count	0
51941	Rotatable_Bond_Count	2
21769	Molecular_Weight	348.9
23712863	Hydrogen_Bond_Donor_Count	0
138199	Total_Formal_Charge	0
10308	Covalent_Unit_Count	1
317883	Defined_Atom_Stereo_Count	0
20055515	Defined_Atom_Stereo_Count	18
82511	Rotatable_Bond_Count	9
123348667	Covalent_Unit_Count	1
14012376	Mono_Isotopic_Weight	306.14806121
4573	Non-hydrogen_Atom_Count	14
14453670	TPSA	20.2
12508473	Hydrogen_Bond_Donor_Count	3
43312181	Hydrogen_Bond_Donor_Count	1
1241301	Isotope_Atom_Count	0
139001	Rotatable_Bond_Count	0
126969105	Rotatable_Bond_Count	5
21778241	Total_Formal_Charge	0
23971	Hydrogen_Bond_Acceptor_Count	0
33919	Isotope_Atom_Count	0
74736	Molecular_Weight	211.26
34624	XLogP3-AA	3.1
6405709	Total_Formal_Charge	0
13996773	TPSA	29.6
216261	Covalent_Unit_Count	1
157429	Hydrogen_Bond_Acceptor_Count	13
444614	Non-hydrogen_Atom_Count	25
2769	Structure_Complexity	581
37250	Molecular_Weight	360.9
7103	Covalent_Unit_Count	1
3763	XLogP3	2.1
14496	XLogP3-AA	0
10058	Non-hydrogen_Atom_Count	41
94357	Tautomer_Count	1
78882	Non-hydrogen_Atom_Count	12
3459	Total_Formal_Charge	0
5483847	Defined_Atom_Stereo_Count	1
22965786	Rotatable_Bond_Count	0
5353370	Defined_Atom_Stereo_Count	0
17473	Hydrogen_Bond_Acceptor_Count	18
131057	Defined_Bond_Stereo_Count	0
81655	Total_Formal_Charge	0
56842070	Defined_Atom_Stereo_Count	0
5288615	Defined_Atom_Stereo_Count	1
143745299	Non-hydrogen_Atom_Count	7
20090062	TPSA	40.5
3035842	Structure_Complexity	132
45266646	Defined_Atom_Stereo_Count	8
16682999	Molecular_Weight	395.10
54510058	Total_Formal_Charge	0
57855562	Mono_Isotopic_Weight	82.078250319
21893333	Exact_Mass	109.052763847
283	Tautomer_Count	1
61791	Mono_Isotopic_Weight	492.25252628
12694	Molecular_Weight	127.95
45006148	Hydrogen_Bond_Donor_Count	1
123448160	Isotope_Atom_Count	0
13671	Molecular_Weight	181.15
12268623	Undefined_Atom_Stereo_Count	0
47328	Total_Formal_Charge	0
9107	Non-hydrogen_Atom_Count	24
443376	Structure_Complexity	2330
72760	Undefined_Bond_Stereo_Count	0
2723766	Molecular_Weight	164.16
555285	Molecular_Weight	106.12
25803	Hydrogen_Bond_Donor_Count	2
904858	Covalent_Unit_Count	1
16741245	Defined_Bond_Stereo_Count	0
46936357	Hydrogen_Bond_Donor_Count	2
5352062	Total_Formal_Charge	0
84614	XLogP3-AA	3
11286443	Exact_Mass	100.063662883
64969	Defined_Atom_Stereo_Count	1
95005	Defined_Bond_Stereo_Count	0
8103	Structure_Complexity	27.4
4248	Total_Formal_Charge	0
68304261	Total_Formal_Charge	0
6537961	Covalent_Unit_Count	1
84393	Defined_Bond_Stereo_Count	0
57114132	Total_Formal_Charge	0
774262	Undefined_Atom_Stereo_Count	0
46244453	Molecular_Weight	412.5
5311	Non-hydrogen_Atom_Count	19
12855445	Total_Formal_Charge	0
580481	Non-hydrogen_Atom_Count	15
3966	Mono_Isotopic_Weight	234.209598838
53699711	Hydrogen_Bond_Donor_Count	2
2734931	Rotatable_Bond_Count	2
133136	Structure_Complexity	721
443958	Non-hydrogen_Atom_Count	36
575893	Hydrogen_Bond_Acceptor_Count	3
133568304	XLogP3-AA	6.4
4838	Tautomer_Count	1
2733178	Total_Formal_Charge	0
47651	Undefined_Atom_Stereo_Count	0
20312802	Isotope_Atom_Count	0
589692	TPSA	51.6
3132	Defined_Atom_Stereo_Count	0
3464	Structure_Complexity	265
23666110	Total_Formal_Charge	0
6328	Mono_Isotopic_Weight	141.92795
64	Structure_Complexity	176
96490	Defined_Bond_Stereo_Count	0
71464628	TPSA	228
59045964	Exact_Mass	111.068413911
3226	Hydrogen_Bond_Acceptor_Count	6
57734486	Molecular_Weight	357.4
3034	Hydrogen_Bond_Donor_Count	4
88069	Hydrogen_Bond_Acceptor_Count	3
42725	Mono_Isotopic_Weight	227.105862047
11234351	Molecular_Weight	380.4
118916	TPSA	127
11742188	Rotatable_Bond_Count	4
1712088	Defined_Bond_Stereo_Count	0
516910	Structure_Complexity	13.5
7073	Hydrogen_Bond_Donor_Count	2
57784275	Total_Formal_Charge	0
7553	XLogP3-AA	0.4
229126	Covalent_Unit_Count	1
734	Defined_Bond_Stereo_Count	0
12302689	Defined_Bond_Stereo_Count	0
614	Defined_Atom_Stereo_Count	0
5853	Total_Formal_Charge	0
126968951	Undefined_Atom_Stereo_Count	1
53484514	Non-hydrogen_Atom_Count	6
637920	Rotatable_Bond_Count	1
142773668	Rotatable_Bond_Count	0
90753032	Isotope_Atom_Count	0
10477191	Defined_Atom_Stereo_Count	1
9963057	Tautomer_Count	3
10130220	Structure_Complexity	151
25191022	Non-hydrogen_Atom_Count	36
131954609	Total_Formal_Charge	0
15973	Defined_Atom_Stereo_Count	0
17842471	Isotope_Atom_Count	0
129821327	Isotope_Atom_Count	0
95162564	Defined_Bond_Stereo_Count	0
18381089	Undefined_Bond_Stereo_Count	0
11972518	Molecular_Weight	1111.3
5281078	Mono_Isotopic_Weight	433.21005233
10026007	Total_Formal_Charge	0
19083150	TPSA	17.8
134129703	Rotatable_Bond_Count	16
140830181	Structure_Complexity	96
424	Defined_Atom_Stereo_Count	0
103875	Tautomer_Count	1
13200	Structure_Complexity	128
10238746	Defined_Bond_Stereo_Count	0
79037	Isotope_Atom_Count	0
91410	Defined_Bond_Stereo_Count	0
529277	Hydrogen_Bond_Donor_Count	0
11527635	Non-hydrogen_Atom_Count	47
535188	Isotope_Atom_Count	0
13427979	Undefined_Atom_Stereo_Count	0
25954	Hydrogen_Bond_Donor_Count	0
98790	Defined_Bond_Stereo_Count	0
45085092	Structure_Complexity	97.8
62493	TPSA	17.1
7329	Non-hydrogen_Atom_Count	17
6986	Covalent_Unit_Count	1
3461	Undefined_Atom_Stereo_Count	3
35758	Defined_Atom_Stereo_Count	0
5589	Undefined_Atom_Stereo_Count	9
137651	XLogP3-AA	2
13516406	Structure_Complexity	61.5
84682	Isotope_Atom_Count	0
136081	Mono_Isotopic_Weight	134.01902136
67707	Defined_Bond_Stereo_Count	0
4944	Undefined_Atom_Stereo_Count	0
3080938	XLogP3-AA	17.3
71684354	Exact_Mass	298.12050905
708	TPSA	113
118654527	Non-hydrogen_Atom_Count	20
6918191	XLogP3-AA	3.1
27465	Total_Formal_Charge	0
11934	Isotope_Atom_Count	0
391144	Non-hydrogen_Atom_Count	36
7244	Tautomer_Count	3
538433	Tautomer_Count	1
23681909	Undefined_Bond_Stereo_Count	0
15450	Non-hydrogen_Atom_Count	9
506605	Covalent_Unit_Count	1
60196407	Rotatable_Bond_Count	13
135402037	Covalent_Unit_Count	1
60824	XLogP3-AA	2.2
5357155	Mono_Isotopic_Weight	205.07389321
136114017	Structure_Complexity	952
22222161	Isotope_Atom_Count	0
24977223	Structure_Complexity	124
87367	Mono_Isotopic_Weight	293.16584950
177084	XLogP3-AA	2.1
906815	Mono_Isotopic_Weight	345.11471265
688691	Undefined_Bond_Stereo_Count	0
20277173	Undefined_Atom_Stereo_Count	0
100957861	Structure_Complexity	102
7295	Mono_Isotopic_Weight	107.9978071
22006231	Defined_Bond_Stereo_Count	0
13917	Molecular_Weight	221.29
1074	TPSA	137
25015463	Hydrogen_Bond_Acceptor_Count	8
3019670	Rotatable_Bond_Count	2
66124	Rotatable_Bond_Count	3
13235329	Molecular_Weight	94.15
25217475	Defined_Atom_Stereo_Count	3
54480591	Exact_Mass	94.078250319
11800	Non-hydrogen_Atom_Count	16
80900	Covalent_Unit_Count	1
445638	Exact_Mass	254.224580195
150986	Molecular_Weight	300.4
14066	Molecular_Weight	102.13
2226	Mono_Isotopic_Weight	552.31189162
9051	Mono_Isotopic_Weight	312.208930132
101417753	Non-hydrogen_Atom_Count	16
25271790	Undefined_Bond_Stereo_Count	0
127757	Exact_Mass	452.22122615
18636	Tautomer_Count	1
3968	Hydrogen_Bond_Acceptor_Count	2
5352435	Non-hydrogen_Atom_Count	14
1	Hydrogen_Bond_Acceptor_Count	4
1811	Hydrogen_Bond_Donor_Count	2
84647611	Exact_Mass	101.084063974
19665	Hydrogen_Bond_Donor_Count	1
57399672	Covalent_Unit_Count	1
10901524	Non-hydrogen_Atom_Count	18
22273998	Exact_Mass	99.043261792
69293	Defined_Bond_Stereo_Count	0
76134	Exact_Mass	174.115698455
13611196	Covalent_Unit_Count	1
5281004	Defined_Atom_Stereo_Count	8
11446306	Covalent_Unit_Count	1
68236666	Mono_Isotopic_Weight	100.100048391
66013	Non-hydrogen_Atom_Count	8
1438150	Covalent_Unit_Count	1
9904746	Total_Formal_Charge	0
5282192	Hydrogen_Bond_Donor_Count	4
2283	TPSA	556
15731	Mono_Isotopic_Weight	186.068079557
53917786	Hydrogen_Bond_Donor_Count	1
13661	Undefined_Atom_Stereo_Count	0
151172	Tautomer_Count	11
9931	Mono_Isotopic_Weight	305.177964357
61186	Rotatable_Bond_Count	3
44392161	Non-hydrogen_Atom_Count	34
128423	Hydrogen_Bond_Donor_Count	0
84179	Exact_Mass	163.099714038
5283740	Covalent_Unit_Count	1
20739	Exact_Mass	142.135765193
54592009	TPSA	63.7
5324168	Hydrogen_Bond_Acceptor_Count	2
9921	Total_Formal_Charge	0
22057568	Hydrogen_Bond_Donor_Count	0
10313106	Isotope_Atom_Count	0
833992	Tautomer_Count	3
2593	Defined_Bond_Stereo_Count	0
56841628	TPSA	170
80867	Isotope_Atom_Count	0
97383	Defined_Bond_Stereo_Count	0
53319118	Exact_Mass	521.25258584
292	Defined_Bond_Stereo_Count	0
53685821	Mono_Isotopic_Weight	102.079312947
7977	Defined_Bond_Stereo_Count	0
16095274	Hydrogen_Bond_Acceptor_Count	3
3084338	TPSA	35.2
4952	Tautomer_Count	25
4126474	Isotope_Atom_Count	0
91145327	Hydrogen_Bond_Donor_Count	0
307982	Hydrogen_Bond_Donor_Count	2
72199540	Defined_Bond_Stereo_Count	0
9902908	TPSA	139
25106	Undefined_Bond_Stereo_Count	0
8154	Structure_Complexity	181
19621	Hydrogen_Bond_Acceptor_Count	13
10399535	TPSA	48.1
23727689	XLogP3-AA	6
1652	Molecular_Weight	242.23
3078952	Molecular_Weight	254.26
44513473	Hydrogen_Bond_Acceptor_Count	6
64033	Rotatable_Bond_Count	2
164509	XLogP3-AA	2.7
61101	Hydrogen_Bond_Donor_Count	0
1072	Isotope_Atom_Count	0
14300	Isotope_Atom_Count	0
6183357	Isotope_Atom_Count	0
13973072	Total_Formal_Charge	0
92363	Structure_Complexity	136
54561872	Isotope_Atom_Count	0
136257950	Hydrogen_Bond_Acceptor_Count	14
9103	Structure_Complexity	470
13314	Non-hydrogen_Atom_Count	22
41893	Undefined_Bond_Stereo_Count	0
14306122	Exact_Mass	370.30830982
5381	Tautomer_Count	1
77137	Isotope_Atom_Count	0
50932059	Hydrogen_Bond_Acceptor_Count	9
7301	Mono_Isotopic_Weight	86.073164938
179849	Total_Formal_Charge	0
12103	Non-hydrogen_Atom_Count	9
53167	Isotope_Atom_Count	0
58173	Defined_Bond_Stereo_Count	0
69060	Undefined_Bond_Stereo_Count	0
57939635	Rotatable_Bond_Count	1
64953	Exact_Mass	365.00705
10953450	Defined_Bond_Stereo_Count	0
119259	Hydrogen_Bond_Acceptor_Count	5
219105	Structure_Complexity	116
220338	TPSA	37.3
12213511	Structure_Complexity	139
65815658	Exact_Mass	115.026943022
14453685	Hydrogen_Bond_Acceptor_Count	1
118994155	Structure_Complexity	147
55285991	Non-hydrogen_Atom_Count	8
10493732	Rotatable_Bond_Count	9
143780	Tautomer_Count	1
10994	Isotope_Atom_Count	0
19427867	TPSA	38.3
5289501	Covalent_Unit_Count	1
50878556	Covalent_Unit_Count	2
36687804	Undefined_Bond_Stereo_Count	0
11940	Defined_Atom_Stereo_Count	0
56755	Exact_Mass	298.051880
56841980	Isotope_Atom_Count	0
42438	Undefined_Bond_Stereo_Count	0
135515430	Undefined_Bond_Stereo_Count	0
8855	XLogP3-AA	1.6
107720	Undefined_Bond_Stereo_Count	0
68745835	Undefined_Atom_Stereo_Count	0
87468080	Structure_Complexity	124
2779183	Molecular_Weight	248.0
5281417	Defined_Atom_Stereo_Count	5
166796	Structure_Complexity	596
65854	Molecular_Weight	228.74
129654479	TPSA	29.6
14920524	Structure_Complexity	94.4
67296898	Isotope_Atom_Count	0
163050674	Undefined_Bond_Stereo_Count	0
101995634	Exact_Mass	460.20971797
22860	Total_Formal_Charge	0
16637767	Total_Formal_Charge	0
6067	Exact_Mass	340.19463999
59059978	Defined_Bond_Stereo_Count	0
83763	Structure_Complexity	101
22401764	XLogP3-AA	0.2
71426	Structure_Complexity	447
5460299	Mono_Isotopic_Weight	146.04533274
14359581	Structure_Complexity	92.5
13020083	Isotope_Atom_Count	0
69251960	Isotope_Atom_Count	0
43471	Rotatable_Bond_Count	1
54758309	Undefined_Bond_Stereo_Count	0
131428459	XLogP3-AA	0.2
10880751	Hydrogen_Bond_Acceptor_Count	5
11815299	Structure_Complexity	32.9
151117	Hydrogen_Bond_Acceptor_Count	7
8816	Mono_Isotopic_Weight	383.21876
12285893	Hydrogen_Bond_Acceptor_Count	6
251636	Isotope_Atom_Count	0
5893	Non-hydrogen_Atom_Count	44
69885	XLogP3-AA	3
616632	Non-hydrogen_Atom_Count	18
130664213	Undefined_Bond_Stereo_Count	0
139088049	Structure_Complexity	953
5284554	Isotope_Atom_Count	0
7833	Undefined_Bond_Stereo_Count	0
79804	Mono_Isotopic_Weight	153.9159246
15522	Rotatable_Bond_Count	2
6323236	TPSA	161
159738	Total_Formal_Charge	0
22149470	Covalent_Unit_Count	1
36584	Rotatable_Bond_Count	5
129396765	TPSA	180
137326482	Undefined_Atom_Stereo_Count	0
9860424	Hydrogen_Bond_Donor_Count	2
43833360	TPSA	13.7
23667568	Hydrogen_Bond_Acceptor_Count	4
62066	Rotatable_Bond_Count	5
13576	Undefined_Atom_Stereo_Count	0
135988	Mono_Isotopic_Weight	110.109550447
20767638	Hydrogen_Bond_Acceptor_Count	1
76564	Total_Formal_Charge	0
8110	Exact_Mass	99.068413911
129491	Hydrogen_Bond_Donor_Count	0
6375	Hydrogen_Bond_Donor_Count	0
2155	Hydrogen_Bond_Donor_Count	1
55290981	Defined_Atom_Stereo_Count	0
154108049	Defined_Atom_Stereo_Count	0
134980383	Isotope_Atom_Count	0
7936	Covalent_Unit_Count	1
143917	Molecular_Weight	92.14
12441598	Mono_Isotopic_Weight	116.083729621
9049	TPSA	80
8491	Defined_Bond_Stereo_Count	0
11955855	Non-hydrogen_Atom_Count	27
97758	Non-hydrogen_Atom_Count	6
445049	Structure_Complexity	459
10444	Mono_Isotopic_Weight	89.02992040
11240453	Non-hydrogen_Atom_Count	8
24973796	Total_Formal_Charge	0
53978983	Exact_Mass	114.068079557
134338399	Molecular_Weight	108.10
41114	Hydrogen_Bond_Donor_Count	2
14939066	Isotope_Atom_Count	0
3300	Molecular_Weight	290.36
46274	Defined_Atom_Stereo_Count	0
179383	Defined_Atom_Stereo_Count	0
71460733	Hydrogen_Bond_Acceptor_Count	6
49766037	XLogP3-AA	1
13490845	Exact_Mass	447.27734404
23668192	Rotatable_Bond_Count	1
134735	TPSA	9.2
78323	Defined_Bond_Stereo_Count	0
3823	Total_Formal_Charge	0
9577585	Exact_Mass	303.0410689
6682	Non-hydrogen_Atom_Count	19
54076653	Structure_Complexity	111
73277	XLogP3	0.7
18509379	Defined_Atom_Stereo_Count	0
47896	Exact_Mass	597.0568692
11294	Defined_Bond_Stereo_Count	0
91386640	TPSA	38.6
71357440	Defined_Atom_Stereo_Count	0
340	Mono_Isotopic_Weight	124.052429494
107720	TPSA	107
12819963	Hydrogen_Bond_Acceptor_Count	1
11534927	Non-hydrogen_Atom_Count	16
5478933	XLogP3-AA	2.2
71249967	Covalent_Unit_Count	1
15448	Undefined_Atom_Stereo_Count	1
23675737	Tautomer_Count	4
51029603	Total_Formal_Charge	0
12495	Hydrogen_Bond_Donor_Count	0
101554	Exact_Mass	164.06847348
9543528	Undefined_Atom_Stereo_Count	0
133561657	Structure_Complexity	1040
11062545	Exact_Mass	113.058911855
3082781	TPSA	46.3
17834171	Molecular_Weight	101.15
11643926	Defined_Atom_Stereo_Count	0
51039095	Total_Formal_Charge	0
57564	Total_Formal_Charge	0
16682953	Isotope_Atom_Count	0
79003661	Rotatable_Bond_Count	2
11619519	TPSA	94.2
17877642	Rotatable_Bond_Count	1
68553	TPSA	93.1
11616111	Mono_Isotopic_Weight	278.0128057
53631972	XLogP3-AA	0.3
3081884	Defined_Atom_Stereo_Count	4
57110036	Hydrogen_Bond_Donor_Count	1
520098	Undefined_Bond_Stereo_Count	0
12293	Hydrogen_Bond_Acceptor_Count	2
25023855	Covalent_Unit_Count	1
101796201	Structure_Complexity	151
12496412	Hydrogen_Bond_Donor_Count	0
643209	Isotope_Atom_Count	0
483998	Undefined_Atom_Stereo_Count	1
130600	Mono_Isotopic_Weight	113.084063974
76040	Rotatable_Bond_Count	0
6537197	Tautomer_Count	2
91185	TPSA	41.8
36513	Hydrogen_Bond_Acceptor_Count	3
147707442	TPSA	190
19789137	Rotatable_Bond_Count	1
1394	Defined_Bond_Stereo_Count	0
71317094	Mono_Isotopic_Weight	193.12745433
58612101	Isotope_Atom_Count	0
5311333	Non-hydrogen_Atom_Count	79
11321106	TPSA	8.8
36559	Molecular_Weight	236.4
53639246	Hydrogen_Bond_Acceptor_Count	2
34474	Isotope_Atom_Count	0
25324	XLogP3-AA	3.5
107640	Molecular_Weight	682.8
11669987	Total_Formal_Charge	0
136305445	Hydrogen_Bond_Donor_Count	1
91612585	Non-hydrogen_Atom_Count	8
139592645	Covalent_Unit_Count	1
3917956	Mono_Isotopic_Weight	199.93472
104805	Defined_Bond_Stereo_Count	0
11196935	Hydrogen_Bond_Acceptor_Count	2
17963315	Hydrogen_Bond_Donor_Count	1
28864	Exact_Mass	338.21066147
640753	Rotatable_Bond_Count	2
16129688	Isotope_Atom_Count	0
16664362	Hydrogen_Bond_Acceptor_Count	4
57401296	Structure_Complexity	614
14045186	Hydrogen_Bond_Acceptor_Count	2
16211654	Hydrogen_Bond_Acceptor_Count	1
58595959	Defined_Bond_Stereo_Count	0
135747	Undefined_Bond_Stereo_Count	0
44755151	Hydrogen_Bond_Donor_Count	3
8351	Structure_Complexity	229
53315137	Hydrogen_Bond_Acceptor_Count	8
162642814	Total_Formal_Charge	0
10957	Rotatable_Bond_Count	3
4121	Rotatable_Bond_Count	2
65708	Total_Formal_Charge	0
24822371	Exact_Mass	359.187455
60196381	Non-hydrogen_Atom_Count	27
11251522	Undefined_Bond_Stereo_Count	0
25183872	Hydrogen_Bond_Acceptor_Count	4
96886	Rotatable_Bond_Count	4
10017019	Defined_Bond_Stereo_Count	0
12962854	Isotope_Atom_Count	0
616651	Hydrogen_Bond_Donor_Count	1
136873	Mono_Isotopic_Weight	99.068413911
5817	Defined_Bond_Stereo_Count	0
21998212	Exact_Mass	101.047678466
3430	Undefined_Bond_Stereo_Count	4
1549097	Mono_Isotopic_Weight	152.00175385
115237	Defined_Atom_Stereo_Count	0
69677	Molecular_Weight	134.06
10131269	Total_Formal_Charge	0
11187581	Hydrogen_Bond_Donor_Count	3
10498206	Covalent_Unit_Count	1
10217	Exact_Mass	337.13140809
16584	Total_Formal_Charge	0
70544	TPSA	15.3
23009	TPSA	76.1
11804710	Covalent_Unit_Count	1
15778463	Undefined_Atom_Stereo_Count	0
91442807	Isotope_Atom_Count	0
76956848	Total_Formal_Charge	0
72332	Hydrogen_Bond_Donor_Count	2
32816	Hydrogen_Bond_Donor_Count	2
124846	Total_Formal_Charge	0
20949	Hydrogen_Bond_Donor_Count	1
72693	Defined_Bond_Stereo_Count	0
129747104	Total_Formal_Charge	0
89105	Defined_Atom_Stereo_Count	0
80779	Undefined_Atom_Stereo_Count	0
11182588	Non-hydrogen_Atom_Count	8
21545139	Rotatable_Bond_Count	0
524646	Defined_Bond_Stereo_Count	0
101047267	Structure_Complexity	386
4403	Undefined_Bond_Stereo_Count	0
44516953	Structure_Complexity	913
3048339	Exact_Mass	231.162314293
1174	Isotope_Atom_Count	0
558206	Hydrogen_Bond_Acceptor_Count	1
16212950	Defined_Bond_Stereo_Count	0
443956	Hydrogen_Bond_Donor_Count	10
15788279	Hydrogen_Bond_Acceptor_Count	2
97414	Molecular_Weight	227.29
117828099	Isotope_Atom_Count	0
9983292	Isotope_Atom_Count	0
136513	Defined_Bond_Stereo_Count	0
51577	Undefined_Bond_Stereo_Count	0
9613	Isotope_Atom_Count	0
23087	Covalent_Unit_Count	1
86062	Total_Formal_Charge	0
6433208	Undefined_Atom_Stereo_Count	0
11934	Tautomer_Count	1
1491	Defined_Atom_Stereo_Count	0
9847721	Mono_Isotopic_Weight	474.19031994
15942892	Defined_Bond_Stereo_Count	0
16989	Undefined_Bond_Stereo_Count	0
4008	XLogP3	5.6
12304501	Undefined_Atom_Stereo_Count	0
71776638	Total_Formal_Charge	0
14517	Non-hydrogen_Atom_Count	9
156519226	Molecular_Weight	110.15
12305037	Rotatable_Bond_Count	8
67850	Hydrogen_Bond_Donor_Count	0
76048	Covalent_Unit_Count	1
9794218	Total_Formal_Charge	0
17381	Hydrogen_Bond_Donor_Count	0
53808	Undefined_Bond_Stereo_Count	0
86063980	Hydrogen_Bond_Acceptor_Count	2
20811	Defined_Atom_Stereo_Count	0
54608115	Mono_Isotopic_Weight	2163.9515005
1091	Structure_Complexity	26.3
61220	Non-hydrogen_Atom_Count	11
22221797	Exact_Mass	182.018755
4329331	XLogP3-AA	4.7
9984374	Covalent_Unit_Count	1
53835276	Rotatable_Bond_Count	1
21133868	Hydrogen_Bond_Donor_Count	0
556035	Tautomer_Count	1
9812772	Hydrogen_Bond_Acceptor_Count	2
45116667	Defined_Atom_Stereo_Count	0
44349928	TPSA	62.9
14476155	Structure_Complexity	535
509864	Molecular_Weight	437.6
53765848	Defined_Bond_Stereo_Count	0
449015	Hydrogen_Bond_Acceptor_Count	4
77881	Rotatable_Bond_Count	0
68745	XLogP3-AA	5.1
59388	Molecular_Weight	291.21
54675866	Defined_Bond_Stereo_Count	0
6934	TPSA	88.8
296464	Covalent_Unit_Count	1
6585	Non-hydrogen_Atom_Count	5
11740218	Total_Formal_Charge	0
52355	Defined_Bond_Stereo_Count	0
166450050	Defined_Atom_Stereo_Count	0
76121	Non-hydrogen_Atom_Count	6
11503692	Molecular_Weight	467.5
169952	Undefined_Bond_Stereo_Count	0
16129911	Structure_Complexity	2700
106	Hydrogen_Bond_Acceptor_Count	7
3894848	Covalent_Unit_Count	1
6851	TPSA	152
70678916	Hydrogen_Bond_Acceptor_Count	8
27461	Rotatable_Bond_Count	7
71128	Exact_Mass	325.204179104
10937610	Hydrogen_Bond_Donor_Count	0
65874	Hydrogen_Bond_Acceptor_Count	7
5463134	Covalent_Unit_Count	1
95400	Undefined_Atom_Stereo_Count	2
634470	Defined_Atom_Stereo_Count	0
10796706	Rotatable_Bond_Count	2
13444041	Non-hydrogen_Atom_Count	8
73947328	Exact_Mass	179.07937252
45479680	Defined_Atom_Stereo_Count	0
15920952	Total_Formal_Charge	0
90957031	Covalent_Unit_Count	1
7702	Exact_Mass	150.104465066
146157455	Rotatable_Bond_Count	3
4369579	Defined_Atom_Stereo_Count	1
88365	XLogP3	3.9
123187306	TPSA	0
5147171	Defined_Atom_Stereo_Count	1
19918	XLogP3-AA	2.3
41596	Hydrogen_Bond_Donor_Count	2
28264	Isotope_Atom_Count	0
43704	Non-hydrogen_Atom_Count	21
292184	Defined_Bond_Stereo_Count	0
24827	TPSA	46.5
62738	Isotope_Atom_Count	0
9833407	Rotatable_Bond_Count	19
8434	Undefined_Bond_Stereo_Count	0
45266540	Structure_Complexity	1470
85760873	Non-hydrogen_Atom_Count	7
22672893	Exact_Mass	109.063997236
19674	Total_Formal_Charge	0
26173	Structure_Complexity	120
5222844	Hydrogen_Bond_Donor_Count	1
7359	Covalent_Unit_Count	1
10675	Structure_Complexity	567
78234	Rotatable_Bond_Count	12
20903	Exact_Mass	126.068079557
3209	Isotope_Atom_Count	0
1483593	Hydrogen_Bond_Donor_Count	1
11628328	Hydrogen_Bond_Donor_Count	2
431751	Defined_Atom_Stereo_Count	0
20220679	Molecular_Weight	114.14
18720	Hydrogen_Bond_Donor_Count	0
78837	Structure_Complexity	46.1
21390696	TPSA	49.8
528411	Structure_Complexity	46.8
53846435	Exact_Mass	416.32904526
36034	Isotope_Atom_Count	0
866	Hydrogen_Bond_Acceptor_Count	4
83946	Rotatable_Bond_Count	7
116842112	XLogP3-AA	1.6
91562	Structure_Complexity	664
96309	Non-hydrogen_Atom_Count	14
66156	Total_Formal_Charge	0
54429687	Hydrogen_Bond_Acceptor_Count	3
243517	Total_Formal_Charge	0
10290734	TPSA	26
16134490	XLogP3-AA	4.5
6399027	Covalent_Unit_Count	1
5284515	Rotatable_Bond_Count	6
3705	Defined_Bond_Stereo_Count	0
72521	Tautomer_Count	15
3086686	XLogP3-AA	2.6
3054073	Non-hydrogen_Atom_Count	5
10267079	Total_Formal_Charge	0
9577272	Isotope_Atom_Count	0
123406207	Undefined_Bond_Stereo_Count	0
101870	Hydrogen_Bond_Donor_Count	0
60052896	Exact_Mass	180.06338810
72941955	Total_Formal_Charge	0
114961	TPSA	127
19518	TPSA	69.2
129747104	Molecular_Weight	115.13
8336	Undefined_Atom_Stereo_Count	0
93189	Undefined_Atom_Stereo_Count	0
5326976	Hydrogen_Bond_Donor_Count	1
19810797	Undefined_Atom_Stereo_Count	1
156580566	XLogP3-AA	3.2
13413379	XLogP3-AA	0.3
79571	Rotatable_Bond_Count	5
23667629	Hydrogen_Bond_Donor_Count	1
3958	Molecular_Weight	321.2
7180	XLogP3	3.6
85627952	Isotope_Atom_Count	0
74441105	Undefined_Atom_Stereo_Count	2
6857686	XLogP3-AA	3
7569	Exact_Mass	393.339550376
1551	Defined_Atom_Stereo_Count	0
143289	Defined_Atom_Stereo_Count	0
6973656	Isotope_Atom_Count	0
6100	Undefined_Atom_Stereo_Count	0
57750418	Defined_Bond_Stereo_Count	0
529	Defined_Atom_Stereo_Count	0
445258	Covalent_Unit_Count	1
10038849	Undefined_Bond_Stereo_Count	0
403802	Undefined_Bond_Stereo_Count	0
37720	TPSA	356
22328014	Mono_Isotopic_Weight	114.00654193
10154033	Hydrogen_Bond_Acceptor_Count	4
54581335	Rotatable_Bond_Count	4
73672	Covalent_Unit_Count	1
6326719	Defined_Bond_Stereo_Count	0
118208260	Undefined_Atom_Stereo_Count	0
71308731	Hydrogen_Bond_Donor_Count	2
25015463	Mono_Isotopic_Weight	521.31143813
25007799	Exact_Mass	411.16166284
103648	TPSA	17.1
129486	Hydrogen_Bond_Donor_Count	0
153127831	Defined_Bond_Stereo_Count	0
46919879	Rotatable_Bond_Count	15
13020083	Hydrogen_Bond_Acceptor_Count	10
68182	Mono_Isotopic_Weight	128.04489933
447377	Mono_Isotopic_Weight	449.07873832
10160238	Isotope_Atom_Count	0
161664	Defined_Atom_Stereo_Count	0
44719490	Non-hydrogen_Atom_Count	17
23077956	Undefined_Bond_Stereo_Count	0
166473353	Total_Formal_Charge	0
24892842	Isotope_Atom_Count	0
3255344	Mono_Isotopic_Weight	354.255880323
24041599	Structure_Complexity	642
25142309	Hydrogen_Bond_Donor_Count	2
44296776	Molecular_Weight	490.7
2442	Exact_Mass	375.99727
5324585	Covalent_Unit_Count	1
46830487	Covalent_Unit_Count	1
447379	Covalent_Unit_Count	1
135887831	Structure_Complexity	1220
154574495	Rotatable_Bond_Count	2
142383	Defined_Atom_Stereo_Count	0
8718	Molecular_Weight	136.15
834562	Hydrogen_Bond_Donor_Count	1
13450	Hydrogen_Bond_Acceptor_Count	6
40466862	Hydrogen_Bond_Acceptor_Count	6
10964456	Tautomer_Count	3
27368	Undefined_Atom_Stereo_Count	1
9549179	Undefined_Atom_Stereo_Count	1
11303	Exact_Mass	290.224580195
53405	Hydrogen_Bond_Donor_Count	2
9811834	Mono_Isotopic_Weight	411.20457303
219224	Rotatable_Bond_Count	3
76040	Hydrogen_Bond_Acceptor_Count	12
11452022	Isotope_Atom_Count	0
84442	Covalent_Unit_Count	1
80510	Defined_Atom_Stereo_Count	0
123642	Isotope_Atom_Count	0
10775	Total_Formal_Charge	0
53302268	Defined_Bond_Stereo_Count	0
519726	Hydrogen_Bond_Donor_Count	1
16690	TPSA	0
141445129	Non-hydrogen_Atom_Count	8
153373905	Total_Formal_Charge	0
2734639	Structure_Complexity	133
62545	Hydrogen_Bond_Acceptor_Count	5
1795	Molecular_Weight	299.76
5650	Undefined_Bond_Stereo_Count	0
164576789	Isotope_Atom_Count	0
16436	Defined_Bond_Stereo_Count	0
139075087	Undefined_Atom_Stereo_Count	0
91563	Isotope_Atom_Count	0
11558904	Molecular_Weight	326.4
84075	Molecular_Weight	551.6
11145	XLogP3	3.8
201538	Tautomer_Count	1
56663313	Undefined_Bond_Stereo_Count	0
1043	Exact_Mass	132.043596145
91756	Structure_Complexity	641
2796	Undefined_Atom_Stereo_Count	0
58528	Total_Formal_Charge	0
42602260	Non-hydrogen_Atom_Count	30
11640390	Exact_Mass	421.19026037
13132266	Undefined_Bond_Stereo_Count	0
3792939	Structure_Complexity	0
4659	Molecular_Weight	407.14
146159824	Mono_Isotopic_Weight	284.16237386
138199	Mono_Isotopic_Weight	86.036779430
5281951	Exact_Mass	453.94217074
5367706	XLogP3	4
54071	Mono_Isotopic_Weight	244.0978555
136247302	Covalent_Unit_Count	1
135413528	Hydrogen_Bond_Donor_Count	1
12486215	Molecular_Weight	191.23
44241626	Structure_Complexity	921
20112	Undefined_Atom_Stereo_Count	1
73707684	Undefined_Atom_Stereo_Count	1
62358	Total_Formal_Charge	0
5121	XLogP3	2.5
137512	Covalent_Unit_Count	1
53793878	Covalent_Unit_Count	1
7566944	Mono_Isotopic_Weight	342.11621151
7351	Undefined_Bond_Stereo_Count	0
985126	Covalent_Unit_Count	1
76748	Structure_Complexity	105
5281077	Structure_Complexity	154
33899	Mono_Isotopic_Weight	420.1815851
4532218	Isotope_Atom_Count	0
67643801	Defined_Atom_Stereo_Count	0
123683	Rotatable_Bond_Count	5
90990	Non-hydrogen_Atom_Count	7
5287855	Defined_Bond_Stereo_Count	1
71719928	TPSA	260
14298876	Covalent_Unit_Count	1
13730	Isotope_Atom_Count	0
6439929	XLogP3-AA	3.9
5462328	Exact_Mass	369.15762283
3584	XLogP3-AA	2.7
71884	Rotatable_Bond_Count	20
6838	Non-hydrogen_Atom_Count	15
101671175	Molecular_Weight	748.0
10811	Defined_Atom_Stereo_Count	0
6956382	Mono_Isotopic_Weight	377.15013216
122706529	Defined_Bond_Stereo_Count	0
50989726	Mono_Isotopic_Weight	97.089149355
1662	Covalent_Unit_Count	1
4712721	Structure_Complexity	206
7060524	Mono_Isotopic_Weight	112.063662883
3053755	Hydrogen_Bond_Acceptor_Count	3
6914	TPSA	20.2
24424	Isotope_Atom_Count	0
91826865	Non-hydrogen_Atom_Count	12
121639	Rotatable_Bond_Count	11
6324616	Structure_Complexity	1330
9601349	Isotope_Atom_Count	0
96160	Rotatable_Bond_Count	1
121410806	Rotatable_Bond_Count	9
30251	TPSA	16.6
171375	Mono_Isotopic_Weight	196.06129390
155491161	TPSA	68.6
49865859	Rotatable_Bond_Count	5
121233219	Molecular_Weight	126.18
7152	Molecular_Weight	177.16
979919	Hydrogen_Bond_Donor_Count	2
123867984	Rotatable_Bond_Count	1
443183	Covalent_Unit_Count	1
9892539	Isotope_Atom_Count	0
18387020	Hydrogen_Bond_Donor_Count	0
9868580	Undefined_Bond_Stereo_Count	0
317542	Mono_Isotopic_Weight	112.088815002
92879	Exact_Mass	378.12494298
52421	TPSA	116
2064030	Exact_Mass	295.96981
13203	Covalent_Unit_Count	1
165993043	Isotope_Atom_Count	0
14572930	TPSA	44.8
11590255	Rotatable_Bond_Count	7
5282425	Undefined_Bond_Stereo_Count	0
164113877	Defined_Bond_Stereo_Count	0
253877	Undefined_Atom_Stereo_Count	0
4395139	Hydrogen_Bond_Acceptor_Count	1
82055	Undefined_Bond_Stereo_Count	0
246219	TPSA	64.4
6921800	Rotatable_Bond_Count	6
11576068	Undefined_Atom_Stereo_Count	0
33137	Undefined_Atom_Stereo_Count	0
5732	Rotatable_Bond_Count	3
11170934	Molecular_Weight	108.14
51086	Undefined_Atom_Stereo_Count	0
636750	Tautomer_Count	1
21658180	Total_Formal_Charge	0
9912381	Covalent_Unit_Count	1
628397	Structure_Complexity	344
11734	Mono_Isotopic_Weight	107.9978071
60848	Total_Formal_Charge	0
11977753	Molecular_Weight	469.5
38200	Non-hydrogen_Atom_Count	21
87927	Hydrogen_Bond_Donor_Count	0
8183	Undefined_Bond_Stereo_Count	0
558	Undefined_Bond_Stereo_Count	0
11449	Isotope_Atom_Count	0
9547196	Defined_Bond_Stereo_Count	0
7441	Hydrogen_Bond_Acceptor_Count	3
7904	Structure_Complexity	65.9
670359	Hydrogen_Bond_Acceptor_Count	4
392	Covalent_Unit_Count	1
916113	Mono_Isotopic_Weight	313.08849790
58560	TPSA	24.8
12472	Defined_Bond_Stereo_Count	0
19350299	TPSA	54.3
103032	Undefined_Atom_Stereo_Count	1
31070	Tautomer_Count	2
23700068	Defined_Atom_Stereo_Count	0
3559	Total_Formal_Charge	0
18626412	Molecular_Weight	102.13
16323	Molecular_Weight	188.65
98177686	Non-hydrogen_Atom_Count	20
13883023	Mono_Isotopic_Weight	1483.406877
529277	XLogP3-AA	2.5
6025	Total_Formal_Charge	0
16051918	Tautomer_Count	2
5463	Mono_Isotopic_Weight	322.05660244
2812075	Covalent_Unit_Count	1
72941969	Defined_Atom_Stereo_Count	39
6915	Mono_Isotopic_Weight	116.083729621
7233	Covalent_Unit_Count	1
13299177	Hydrogen_Bond_Donor_Count	0
10431444	Covalent_Unit_Count	1
2230	Rotatable_Bond_Count	2
14920524	Total_Formal_Charge	0
2724103	Molecular_Weight	155.15
15269993	TPSA	40.4
118701038	Structure_Complexity	481
40724	Hydrogen_Bond_Acceptor_Count	2
643990	Molecular_Weight	820.7
26556	TPSA	24.1
10076625	Hydrogen_Bond_Acceptor_Count	10
95295	Defined_Atom_Stereo_Count	0
162918377	Defined_Bond_Stereo_Count	1
70691434	Covalent_Unit_Count	1
5287971	Rotatable_Bond_Count	40
86384	Undefined_Atom_Stereo_Count	0
15817396	Non-hydrogen_Atom_Count	8
19905962	Non-hydrogen_Atom_Count	8
80224	Undefined_Atom_Stereo_Count	0
558206	Tautomer_Count	1
12186	Structure_Complexity	50.3
40960	XLogP3	4.6
29455	Hydrogen_Bond_Acceptor_Count	1
12619120	Total_Formal_Charge	0
6492	Undefined_Atom_Stereo_Count	4
42985	Hydrogen_Bond_Acceptor_Count	6
131843960	Molecular_Weight	461.8
5020115	Molecular_Weight	88.13
721310	Covalent_Unit_Count	1
11344002	Defined_Atom_Stereo_Count	0
15643399	Undefined_Bond_Stereo_Count	0
21872002	Rotatable_Bond_Count	3
53983207	Hydrogen_Bond_Acceptor_Count	1
11174789	Non-hydrogen_Atom_Count	24
97234	Mono_Isotopic_Weight	163.038176411
20483	Exact_Mass	185.98429308
126969105	XLogP3	3.7
71380	TPSA	0
26089	Hydrogen_Bond_Acceptor_Count	4
447360	Exact_Mass	436.0430605
5159	Molecular_Weight	1259.4
138358	Mono_Isotopic_Weight	98.109550447
3208	Undefined_Bond_Stereo_Count	2
441242	Defined_Atom_Stereo_Count	2
59348	XLogP3-AA	2.5
1249	Defined_Bond_Stereo_Count	0
79510	Non-hydrogen_Atom_Count	11
7911	Covalent_Unit_Count	1
154511	Total_Formal_Charge	0
442076	Defined_Bond_Stereo_Count	0
706	Hydrogen_Bond_Donor_Count	3
15639205	Tautomer_Count	1
129826870	Mono_Isotopic_Weight	166.135765193
63985	Undefined_Bond_Stereo_Count	0
135418283	Undefined_Atom_Stereo_Count	1
12622120	Rotatable_Bond_Count	3
4946	Defined_Bond_Stereo_Count	0
5342	XLogP3	2.3
68303	Exact_Mass	231.92906
44644	Undefined_Bond_Stereo_Count	0
6419	Tautomer_Count	1
83569	Covalent_Unit_Count	1
61749380	Mono_Isotopic_Weight	112.088815002
13909090	Hydrogen_Bond_Donor_Count	1
59296073	Undefined_Atom_Stereo_Count	0
439278	Tautomer_Count	1
60575	Undefined_Bond_Stereo_Count	0
5282550	Undefined_Bond_Stereo_Count	0
19933060	Structure_Complexity	60.5
101381993	Mono_Isotopic_Weight	191.02185764
13382	Undefined_Bond_Stereo_Count	0
121489349	Mono_Isotopic_Weight	2011.8379101
7019255	Molecular_Weight	254.4
6438895	Covalent_Unit_Count	1
13727	Mono_Isotopic_Weight	279.1753775
4329331	Non-hydrogen_Atom_Count	17
22149470	TPSA	29
22641151	Mono_Isotopic_Weight	170.0862282
63141	Tautomer_Count	4
123888456	Defined_Atom_Stereo_Count	0
5361202	Non-hydrogen_Atom_Count	29
13642940	Covalent_Unit_Count	1
17776820	Mono_Isotopic_Weight	110.109550447
125037259	Isotope_Atom_Count	0
131460	Isotope_Atom_Count	0
85916	Isotope_Atom_Count	0
123769339	Hydrogen_Bond_Donor_Count	1
11574638	Defined_Atom_Stereo_Count	0
1547484	XLogP3	5.8
71587288	Covalent_Unit_Count	2
6444353	Mono_Isotopic_Weight	385.0878830
71360804	Covalent_Unit_Count	1
223441	TPSA	54.5
85782230	TPSA	26.3
46879873	Defined_Bond_Stereo_Count	0
74067	Defined_Bond_Stereo_Count	0
6951525	Defined_Bond_Stereo_Count	0
46780441	Molecular_Weight	180.16
96665	Covalent_Unit_Count	1
1017	Defined_Bond_Stereo_Count	0
87187677	Covalent_Unit_Count	1
6724	Isotope_Atom_Count	0
25203302	Defined_Bond_Stereo_Count	0
44345559	Covalent_Unit_Count	1
117126701	Defined_Bond_Stereo_Count	0
82730	Isotope_Atom_Count	0
9874248	Undefined_Bond_Stereo_Count	0
24214097	Hydrogen_Bond_Acceptor_Count	4
2154	Defined_Bond_Stereo_Count	0
6857686	Undefined_Bond_Stereo_Count	0
11957721	Molecular_Weight	538.6
12271341	Defined_Atom_Stereo_Count	0
135975	Exact_Mass	316.125200510
2737121	Undefined_Bond_Stereo_Count	0
24568	Molecular_Weight	458.3
528612	Covalent_Unit_Count	1
548282	Covalent_Unit_Count	1
123803633	Total_Formal_Charge	0
60285	Exact_Mass	310.18925731
89216	Defined_Atom_Stereo_Count	0
23663969	Defined_Bond_Stereo_Count	0
6994	Isotope_Atom_Count	0
57399125	Defined_Bond_Stereo_Count	0
11705608	Defined_Atom_Stereo_Count	0
635186	Undefined_Bond_Stereo_Count	0
7524	Undefined_Bond_Stereo_Count	0
58979809	Hydrogen_Bond_Acceptor_Count	2
6670	Non-hydrogen_Atom_Count	15
537906	Hydrogen_Bond_Donor_Count	1
135744192	Molecular_Weight	116.08
5281066	Non-hydrogen_Atom_Count	38
11561779	Rotatable_Bond_Count	9
184821	Tautomer_Count	2
7771	Total_Formal_Charge	0
3369	Molecular_Weight	302.73
53211	Structure_Complexity	449
6032	Rotatable_Bond_Count	6
6575	Covalent_Unit_Count	1
9810929	Defined_Atom_Stereo_Count	9
54037464	Undefined_Bond_Stereo_Count	0
20493118	Isotope_Atom_Count	0
26444	Total_Formal_Charge	0
19978898	Defined_Atom_Stereo_Count	0
6917951	Exact_Mass	398.20932405
14537	Rotatable_Bond_Count	0
11947765	Structure_Complexity	161
89646	Isotope_Atom_Count	0
56679001	Hydrogen_Bond_Acceptor_Count	6
10556	Mono_Isotopic_Weight	183.97490
239377	TPSA	29.5
57484773	Molecular_Weight	94.15
155560570	Undefined_Bond_Stereo_Count	0
89000581	Covalent_Unit_Count	1
86007746	Undefined_Bond_Stereo_Count	0
87090701	Covalent_Unit_Count	1
18712663	Hydrogen_Bond_Donor_Count	1
4369188	Covalent_Unit_Count	1
6365	Hydrogen_Bond_Acceptor_Count	0
60196361	TPSA	16.1
33672	Covalent_Unit_Count	1
43499891	Isotope_Atom_Count	0
13538	Covalent_Unit_Count	1
54684286	Exact_Mass	243.07428713
9571	Defined_Bond_Stereo_Count	0
141352213	Hydrogen_Bond_Donor_Count	0
493662	Isotope_Atom_Count	0
4658	XLogP3-AA	4.5
9868580	Tautomer_Count	2
516806	Covalent_Unit_Count	6
66475	Hydrogen_Bond_Acceptor_Count	4
5287969	Non-hydrogen_Atom_Count	28
54370822	Mono_Isotopic_Weight	102.079312947
14803791	TPSA	26.3
7333	Mono_Isotopic_Weight	239.142247555
19911136	Undefined_Bond_Stereo_Count	0
2794833	Covalent_Unit_Count	1
2193	Covalent_Unit_Count	1
67444	XLogP3	7
118596336	Non-hydrogen_Atom_Count	37
5315659	Hydrogen_Bond_Acceptor_Count	2
12369	Defined_Bond_Stereo_Count	0
12302651	Total_Formal_Charge	0
5282181	Hydrogen_Bond_Donor_Count	2
32068	Hydrogen_Bond_Donor_Count	2
85296	Mono_Isotopic_Weight	147.08301860
7025	Hydrogen_Bond_Acceptor_Count	4
68103	XLogP3-AA	1.9
6951315	Hydrogen_Bond_Donor_Count	0
8263	Isotope_Atom_Count	0
69689	TPSA	69.6
14319	Non-hydrogen_Atom_Count	12
31982	Undefined_Atom_Stereo_Count	0
123751374	Exact_Mass	1201.84136802
10862733	Hydrogen_Bond_Acceptor_Count	0
9826520	Hydrogen_Bond_Donor_Count	0
135403647	Non-hydrogen_Atom_Count	35
4823	Undefined_Bond_Stereo_Count	0
94229	Hydrogen_Bond_Donor_Count	1
2762280	Non-hydrogen_Atom_Count	21
70689445	Defined_Atom_Stereo_Count	0
10976469	Mono_Isotopic_Weight	199.02457404
117899707	Defined_Bond_Stereo_Count	0
2281	TPSA	174
3033677	Exact_Mass	411.14167629
5288606	Total_Formal_Charge	0
68718	TPSA	193
53921527	Defined_Bond_Stereo_Count	0
797998	Molecular_Weight	344.7
2673	Isotope_Atom_Count	0
5281064	TPSA	195
84647611	Defined_Bond_Stereo_Count	0
439231	Mono_Isotopic_Weight	74.036779430
16211409	Hydrogen_Bond_Donor_Count	0
16131191	Hydrogen_Bond_Acceptor_Count	58
13598997	Covalent_Unit_Count	1
37036	Tautomer_Count	1
93186	Mono_Isotopic_Weight	154.135765193
2578	Molecular_Weight	214.05
550668	Rotatable_Bond_Count	4
2723630	Molecular_Weight	150.3
9462	Defined_Atom_Stereo_Count	0
22055193	Total_Formal_Charge	0
6934	XLogP3-AA	0.9
11266523	Undefined_Bond_Stereo_Count	0
24585	Molecular_Weight	154.25
8216	Tautomer_Count	1
517985	Total_Formal_Charge	0
22636846	Non-hydrogen_Atom_Count	8
115098	Defined_Atom_Stereo_Count	4
12642439	Tautomer_Count	1
9828310	TPSA	114
54122457	Rotatable_Bond_Count	2
58806244	Structure_Complexity	76.2
138756126	Defined_Atom_Stereo_Count	2
21951770	Hydrogen_Bond_Acceptor_Count	5
114801	TPSA	37.3
94715	Molecular_Weight	194.14
307977	Undefined_Bond_Stereo_Count	0
68745	Total_Formal_Charge	0
10441670	Total_Formal_Charge	0
10528103	Hydrogen_Bond_Donor_Count	3
93032	Molecular_Weight	175.18
44338784	Non-hydrogen_Atom_Count	34
11147674	Hydrogen_Bond_Donor_Count	1
129721137	Covalent_Unit_Count	1
1459	Non-hydrogen_Atom_Count	24
11189	Undefined_Atom_Stereo_Count	0
12681	Undefined_Atom_Stereo_Count	0
12184311	Isotope_Atom_Count	0
90200	Mono_Isotopic_Weight	543.92954
39897	TPSA	116
533427	Isotope_Atom_Count	0
56769	Hydrogen_Bond_Acceptor_Count	0
852	Covalent_Unit_Count	1
91267	Hydrogen_Bond_Donor_Count	1
64968	Defined_Bond_Stereo_Count	0
20232410	Covalent_Unit_Count	1
534132	Rotatable_Bond_Count	0
78350	Isotope_Atom_Count	0
155292829	TPSA	365
13357	Tautomer_Count	1
11234806	TPSA	84.1
3082052	Structure_Complexity	242
148816436	Molecular_Weight	112.17
656954	Exact_Mass	271.06447134
70480850	Total_Formal_Charge	0
98170437	Molecular_Weight	342.30
10226045	Structure_Complexity	730
57156265	Hydrogen_Bond_Donor_Count	0
66982	Molecular_Weight	190.71
73640	Non-hydrogen_Atom_Count	24
143647928	Mono_Isotopic_Weight	97.052763847
6918663	Defined_Atom_Stereo_Count	0
13046622	Rotatable_Bond_Count	2
45086609	Total_Formal_Charge	0
6918670	Structure_Complexity	926
58221868	Undefined_Bond_Stereo_Count	0
21492261	Total_Formal_Charge	0
101080369	Structure_Complexity	2.8
54368096	Molecular_Weight	100.16
60196313	Undefined_Bond_Stereo_Count	0
135705228	Isotope_Atom_Count	0
79010	Isotope_Atom_Count	0
56430	Structure_Complexity	87.9
171075	Isotope_Atom_Count	0
39066	Covalent_Unit_Count	1
123608	Rotatable_Bond_Count	4
12543	Undefined_Bond_Stereo_Count	0
229932	Rotatable_Bond_Count	1
7287	Defined_Bond_Stereo_Count	0
8111	Isotope_Atom_Count	0
13871	Undefined_Bond_Stereo_Count	0
84130	Defined_Bond_Stereo_Count	0
12463393	Hydrogen_Bond_Donor_Count	2
27058	Undefined_Bond_Stereo_Count	0
23677960	Rotatable_Bond_Count	1
157464	Total_Formal_Charge	0
60196405	Hydrogen_Bond_Acceptor_Count	5
2123	Mono_Isotopic_Weight	210.15929460
134687037	Covalent_Unit_Count	2
131954782	Exact_Mass	1348.60159125
57156265	Hydrogen_Bond_Acceptor_Count	1
3586	Undefined_Atom_Stereo_Count	3
54531644	Hydrogen_Bond_Acceptor_Count	2
46783763	Tautomer_Count	2
102600809	Hydrogen_Bond_Acceptor_Count	10
37425	Rotatable_Bond_Count	1
61098	Mono_Isotopic_Weight	210.161979940
406870	Isotope_Atom_Count	0
2218	Non-hydrogen_Atom_Count	24
197883	Molecular_Weight	182.2
22269415	Exact_Mass	99.068413911
6166	XLogP3	2.9
71356	Molecular_Weight	275.31
127995	Tautomer_Count	1
20838085	Covalent_Unit_Count	2
9980551	XLogP3-AA	3.8
2756	Exact_Mass	252.11571571
402035	Mono_Isotopic_Weight	528.06986
133134	Undefined_Bond_Stereo_Count	0
129893524	Hydrogen_Bond_Acceptor_Count	21
12303424	Non-hydrogen_Atom_Count	19
11865437	Hydrogen_Bond_Donor_Count	8
519271	Hydrogen_Bond_Acceptor_Count	1
204109	Defined_Bond_Stereo_Count	0
25164108	Hydrogen_Bond_Donor_Count	3
87060437	Structure_Complexity	688
7271	Hydrogen_Bond_Donor_Count	1
145521	Exact_Mass	80.062600255
23581869	Defined_Atom_Stereo_Count	0
21702858	Molecular_Weight	114.14
23730858	Undefined_Bond_Stereo_Count	0
69532978	Defined_Bond_Stereo_Count	0
27423	Hydrogen_Bond_Donor_Count	0
439524	Hydrogen_Bond_Donor_Count	2
9576647	Covalent_Unit_Count	1
13033	Isotope_Atom_Count	0
27582	Rotatable_Bond_Count	0
135532928	Isotope_Atom_Count	0
90472762	Hydrogen_Bond_Donor_Count	5
14026391	Covalent_Unit_Count	1
133136	TPSA	59
5280492	Total_Formal_Charge	0
284024	Undefined_Bond_Stereo_Count	0
9843089	Tautomer_Count	1
657255	Isotope_Atom_Count	0
10103148	Hydrogen_Bond_Donor_Count	1
24211936	Hydrogen_Bond_Acceptor_Count	5
28566812	Defined_Atom_Stereo_Count	0
10660	TPSA	81.8
12865	Hydrogen_Bond_Acceptor_Count	2
11313	Rotatable_Bond_Count	5
1486	Covalent_Unit_Count	1
23262319	Exact_Mass	98.073164938
8816	Defined_Atom_Stereo_Count	0
903738	Isotope_Atom_Count	0
103451287	Undefined_Bond_Stereo_Count	0
10209	Exact_Mass	174.068079557
53983207	Isotope_Atom_Count	0
12717	Molecular_Weight	119.08
67978393	Isotope_Atom_Count	0
5318599	Tautomer_Count	1
529281	Structure_Complexity	109
10100083	Molecular_Weight	598.8
41794	Hydrogen_Bond_Acceptor_Count	2
15895902	Isotope_Atom_Count	0
9804302	Exact_Mass	460.13379358
5054	Mono_Isotopic_Weight	110.036779430
2733928	Covalent_Unit_Count	2
21983433	Covalent_Unit_Count	3
9143	TPSA	0
216295	Covalent_Unit_Count	1
5280483	Covalent_Unit_Count	1
71384614	Exact_Mass	182.05790880
15072744	XLogP3-AA	3
11957378	Structure_Complexity	755
91750	Isotope_Atom_Count	0
274418	Mono_Isotopic_Weight	124.052429494
12673086	Isotope_Atom_Count	0
11326715	Total_Formal_Charge	0
17234	Total_Formal_Charge	0
31203	Hydrogen_Bond_Donor_Count	0
3080589	Structure_Complexity	355
9884029	Undefined_Bond_Stereo_Count	0
159278	Undefined_Bond_Stereo_Count	0
27826	Exact_Mass	129.090211983
51886	Mono_Isotopic_Weight	209.06880783
46853873	Defined_Atom_Stereo_Count	14
11607904	Defined_Bond_Stereo_Count	0
146356470	Covalent_Unit_Count	1
158797	Defined_Bond_Stereo_Count	0
53309	Total_Formal_Charge	0
3816071	Defined_Bond_Stereo_Count	0
18815	Non-hydrogen_Atom_Count	19
171527	Exact_Mass	347.1652068
135594055	Molecular_Weight	341.8
13546	Covalent_Unit_Count	1
3016570	Isotope_Atom_Count	0
9568	Undefined_Atom_Stereo_Count	1
522105	Hydrogen_Bond_Acceptor_Count	1
2392	TPSA	84.1
3260420	Rotatable_Bond_Count	0
15482356	Non-hydrogen_Atom_Count	8
81749	Hydrogen_Bond_Donor_Count	2
24917008	Defined_Bond_Stereo_Count	0
24944555	Exact_Mass	480.30680535
48080	Defined_Bond_Stereo_Count	0
5367369	Exact_Mass	332.271530387
64594	Structure_Complexity	562
28187	Non-hydrogen_Atom_Count	14
45791180	Defined_Atom_Stereo_Count	0
625	Defined_Bond_Stereo_Count	0
25015556	Total_Formal_Charge	0
1315	Defined_Bond_Stereo_Count	0
54758034	Defined_Bond_Stereo_Count	0
23295738	Defined_Bond_Stereo_Count	0
15072744	Undefined_Bond_Stereo_Count	0
135398645	Rotatable_Bond_Count	7
12248518	Isotope_Atom_Count	0
61181	Undefined_Bond_Stereo_Count	0
90087	Molecular_Weight	225.5
53631439	Hydrogen_Bond_Acceptor_Count	2
21282995	Undefined_Bond_Stereo_Count	0
310360	TPSA	110
11789141	Undefined_Bond_Stereo_Count	0
6435335	Non-hydrogen_Atom_Count	30
54385	TPSA	64.3
257761	Defined_Bond_Stereo_Count	0
12305761	Rotatable_Bond_Count	3
74600475	Molecular_Weight	428.5
13754	Molecular_Weight	288.28
27932	Defined_Atom_Stereo_Count	0
6426739	Molecular_Weight	349.4
192155	Defined_Bond_Stereo_Count	0
49862689	Defined_Bond_Stereo_Count	0
92249	Molecular_Weight	175.18
11582982	Molecular_Weight	438.6
59015080	Structure_Complexity	382
11412527	Hydrogen_Bond_Donor_Count	1
44563178	XLogP3-AA	2.9
13134933	Total_Formal_Charge	0
2955894	Exact_Mass	407.20697307
11829356	Structure_Complexity	67.9
85057	Molecular_Weight	452.4
107918	Mono_Isotopic_Weight	1005.16812503
95259	Defined_Bond_Stereo_Count	0
14454747	Isotope_Atom_Count	0
36305	Defined_Atom_Stereo_Count	0
5216	Undefined_Atom_Stereo_Count	0
7429	Defined_Atom_Stereo_Count	0
16097729	Defined_Atom_Stereo_Count	0
140066067	Undefined_Bond_Stereo_Count	0
522266	Undefined_Atom_Stereo_Count	5
11480402	Undefined_Bond_Stereo_Count	0
6436924	Molecular_Weight	360.75
11569	Molecular_Weight	136.15
5241	Defined_Bond_Stereo_Count	0
9577984	Isotope_Atom_Count	0
19754954	Molecular_Weight	100.16
6427135	Non-hydrogen_Atom_Count	11
23725082	Hydrogen_Bond_Donor_Count	0
66751	Molecular_Weight	234.33
45182	Non-hydrogen_Atom_Count	19
36547	Mono_Isotopic_Weight	270.08920892
2051	Mono_Isotopic_Weight	315.0774544
9826528	Undefined_Bond_Stereo_Count	0
3859614	Isotope_Atom_Count	0
4196	Undefined_Bond_Stereo_Count	0
30131	XLogP3-AA	3.1
55287924	Undefined_Atom_Stereo_Count	1
522065	Undefined_Atom_Stereo_Count	2
19778654	Hydrogen_Bond_Donor_Count	1
416	Hydrogen_Bond_Donor_Count	4
78638	Hydrogen_Bond_Donor_Count	0
117265544	Defined_Atom_Stereo_Count	0
143321	Rotatable_Bond_Count	0
4809	Non-hydrogen_Atom_Count	43
69698	Non-hydrogen_Atom_Count	11
193270	Rotatable_Bond_Count	4
13351946	Mono_Isotopic_Weight	125.058911855
141300213	Non-hydrogen_Atom_Count	8
12749	Mono_Isotopic_Weight	82.053098200
13068890	Non-hydrogen_Atom_Count	8
70693142	Defined_Atom_Stereo_Count	0
59874134	TPSA	20.2
12868288	Undefined_Atom_Stereo_Count	2
9855548	Hydrogen_Bond_Donor_Count	2
5384411	Total_Formal_Charge	0
83669186	Non-hydrogen_Atom_Count	8
20417	Molecular_Weight	115.13
123839315	Covalent_Unit_Count	1
21152	Rotatable_Bond_Count	3
71457270	Non-hydrogen_Atom_Count	39
6540	Undefined_Bond_Stereo_Count	0
35935	Mono_Isotopic_Weight	251.0713064
55278707	Undefined_Bond_Stereo_Count	0
222073	Molecular_Weight	134.56
189856	Undefined_Bond_Stereo_Count	0
491941	TPSA	143
5311504	Rotatable_Bond_Count	3
81093	Non-hydrogen_Atom_Count	8
637939	Undefined_Atom_Stereo_Count	0
282752	Mono_Isotopic_Weight	245.0091000
15132	Non-hydrogen_Atom_Count	11
10967532	Mono_Isotopic_Weight	269.06880783
12217	Defined_Atom_Stereo_Count	0
7371	TPSA	62.8
445858	Rotatable_Bond_Count	3
65513	TPSA	210
123448160	Defined_Atom_Stereo_Count	0
3083702	Total_Formal_Charge	0
99646539	Isotope_Atom_Count	0
48622	Undefined_Bond_Stereo_Count	0
102118	Defined_Atom_Stereo_Count	0
44719499	Exact_Mass	199.10085685
8062	Exact_Mass	80.037448136
24621	Rotatable_Bond_Count	0
241023	Covalent_Unit_Count	1
23688359	Total_Formal_Charge	0
60336	Non-hydrogen_Atom_Count	20
6067	Total_Formal_Charge	1
53237541	Covalent_Unit_Count	1
1951	Defined_Bond_Stereo_Count	0
69810334	Exact_Mass	110.073164938
4554	TPSA	0
14296	Hydrogen_Bond_Donor_Count	0
10994	Structure_Complexity	104
17751002	Tautomer_Count	2
2633	Molecular_Weight	561.6
54936	Mono_Isotopic_Weight	269.940598
55284853	Structure_Complexity	88.2
43436603	Non-hydrogen_Atom_Count	8
24181458	Hydrogen_Bond_Acceptor_Count	8
33294	Exact_Mass	288.09490270
448803	Non-hydrogen_Atom_Count	32
61996	Tautomer_Count	1
65217	Hydrogen_Bond_Acceptor_Count	5
146345448	Defined_Bond_Stereo_Count	0
9934492	Covalent_Unit_Count	2
70443535	Structure_Complexity	151
129848667	Non-hydrogen_Atom_Count	29
18356755	Non-hydrogen_Atom_Count	7
5360621	Tautomer_Count	2
9366	Defined_Bond_Stereo_Count	0
12236733	Undefined_Atom_Stereo_Count	0
30545	Covalent_Unit_Count	1
92876	Mono_Isotopic_Weight	291.1156697
67518	Hydrogen_Bond_Donor_Count	0
3082718	Covalent_Unit_Count	1
5353495	Rotatable_Bond_Count	10
12672856	Defined_Atom_Stereo_Count	0
9883372	Total_Formal_Charge	0
89053264	TPSA	26
2766847	Structure_Complexity	151
13240377	Rotatable_Bond_Count	3
50367	Rotatable_Bond_Count	3
23665765	Covalent_Unit_Count	2
46783063	Covalent_Unit_Count	2
23376967	Hydrogen_Bond_Donor_Count	4
50878566	Exact_Mass	306.15929460
71456995	Undefined_Atom_Stereo_Count	0
100030	XLogP3-AA	0.2
88261	Exact_Mass	230.224580195
5528	Isotope_Atom_Count	0
77930	Defined_Bond_Stereo_Count	0
53479	Defined_Atom_Stereo_Count	0
21798	Undefined_Atom_Stereo_Count	0
16687076	Exact_Mass	110.109550447
2453	Mono_Isotopic_Weight	300.87379
2794666	Hydrogen_Bond_Donor_Count	2
66369	Non-hydrogen_Atom_Count	3
11007841	Defined_Atom_Stereo_Count	0
12375	Tautomer_Count	1
53766038	TPSA	38.7
84759	Molecular_Weight	145.16
122081	Undefined_Bond_Stereo_Count	0
3034023	XLogP3-AA	3.4
135465076	Covalent_Unit_Count	2
116701084	Molecular_Weight	104.15
305444	Covalent_Unit_Count	1
443874	Defined_Bond_Stereo_Count	0
556492	Defined_Bond_Stereo_Count	0
54069261	Undefined_Atom_Stereo_Count	1
135566371	TPSA	123
96389	Total_Formal_Charge	0
6035169	Covalent_Unit_Count	1
6100	Exact_Mass	413.06603
85605344	Hydrogen_Bond_Acceptor_Count	1
62788	Hydrogen_Bond_Donor_Count	4
527511	Hydrogen_Bond_Donor_Count	0
81129	Non-hydrogen_Atom_Count	9
38910	Structure_Complexity	58
69491	Isotope_Atom_Count	0
142559332	Exact_Mass	111.068413911
122608345	Covalent_Unit_Count	1
5353760	Molecular_Weight	268.39
153774065	Defined_Bond_Stereo_Count	0
6005	Defined_Bond_Stereo_Count	0
44348	Covalent_Unit_Count	1
171296	Hydrogen_Bond_Donor_Count	1
139367	Structure_Complexity	96
2206	Molecular_Weight	188.23
72665	Isotope_Atom_Count	0
55855	Exact_Mass	280.157563266
21325329	Exact_Mass	115.099714038
14338	Hydrogen_Bond_Donor_Count	0
618542	Hydrogen_Bond_Donor_Count	1
5256574	Isotope_Atom_Count	0
118797610	Rotatable_Bond_Count	1
208925	Hydrogen_Bond_Donor_Count	1
67938	Tautomer_Count	1
12386877	Non-hydrogen_Atom_Count	6
12574	Covalent_Unit_Count	1
123704723	Mono_Isotopic_Weight	112.088815002
80715	Total_Formal_Charge	0
24978536	Undefined_Atom_Stereo_Count	0
73072210	Isotope_Atom_Count	0
188414	Total_Formal_Charge	0
11640298	Hydrogen_Bond_Acceptor_Count	5
589863	Molecular_Weight	215.10
129634850	Isotope_Atom_Count	0
53853926	TPSA	42.2
4756	Molecular_Weight	213.24
69763756	Covalent_Unit_Count	1
5282948	Isotope_Atom_Count	0
10972974	Rotatable_Bond_Count	12
136589	Defined_Atom_Stereo_Count	0
74329758	Undefined_Atom_Stereo_Count	2
66425	Structure_Complexity	408
9411	Covalent_Unit_Count	1
71362	Undefined_Bond_Stereo_Count	0
21595393	Exact_Mass	337.227988553
104778	Defined_Atom_Stereo_Count	2
15	Mono_Isotopic_Weight	290.224580195
128600	Structure_Complexity	481
136228204	Tautomer_Count	3
2762894	Non-hydrogen_Atom_Count	8
3965	Undefined_Atom_Stereo_Count	2
135413525	Mono_Isotopic_Weight	241.09635999
5281976	Non-hydrogen_Atom_Count	15
90998196	Defined_Atom_Stereo_Count	0
638178	Covalent_Unit_Count	2
9930048	Defined_Atom_Stereo_Count	3
56955285	Rotatable_Bond_Count	3
643985	Defined_Bond_Stereo_Count	0
71584542	Exact_Mass	413.18517499
1923	Exact_Mass	145.052763847
61633	TPSA	34.1
22678982	Hydrogen_Bond_Acceptor_Count	6
5311447	Isotope_Atom_Count	0
53393558	Non-hydrogen_Atom_Count	16
69333861	Non-hydrogen_Atom_Count	7
93374	Undefined_Atom_Stereo_Count	0
520546	XLogP3-AA	0.7
156497240	Isotope_Atom_Count	0
11226090	Defined_Atom_Stereo_Count	2
5282350	Covalent_Unit_Count	1
197006	Molecular_Weight	449.7
33775	Rotatable_Bond_Count	2
164610	Mono_Isotopic_Weight	262.074227566
104741	Hydrogen_Bond_Acceptor_Count	9
21531	Rotatable_Bond_Count	6
2756	Hydrogen_Bond_Acceptor_Count	4
4104621	Hydrogen_Bond_Acceptor_Count	4
91365800	Defined_Bond_Stereo_Count	0
73303	Exact_Mass	420.11372685
57498458	Mono_Isotopic_Weight	357.13247072
71306415	Hydrogen_Bond_Donor_Count	5
78148	Covalent_Unit_Count	1
119033	Rotatable_Bond_Count	4
12281	Total_Formal_Charge	0
56777521	Total_Formal_Charge	0
51931	Structure_Complexity	208
129870262	Rotatable_Bond_Count	0
23537	TPSA	29.1
141583717	Molecular_Weight	587.9
9919910	Non-hydrogen_Atom_Count	72
49836020	Undefined_Bond_Stereo_Count	0
241	XLogP3	2.1
171409	Hydrogen_Bond_Acceptor_Count	12
98613	Tautomer_Count	2
12721	Undefined_Bond_Stereo_Count	1
59277839	Rotatable_Bond_Count	1
2733514	Covalent_Unit_Count	1
8051	Structure_Complexity	66.8
44577611	Undefined_Bond_Stereo_Count	0
17921988	Exact_Mass	114.031694049
7031	Non-hydrogen_Atom_Count	20
12572713	Hydrogen_Bond_Acceptor_Count	3
6022	Structure_Complexity	638
33838	Mono_Isotopic_Weight	240.968878
8548	Exact_Mass	324.183778013
16497	Non-hydrogen_Atom_Count	11
25457	Isotope_Atom_Count	0
15596187	Hydrogen_Bond_Acceptor_Count	7
64247	Isotope_Atom_Count	0
6091	Hydrogen_Bond_Donor_Count	1
501	Undefined_Atom_Stereo_Count	1
6131	Hydrogen_Bond_Donor_Count	5
40605	Hydrogen_Bond_Acceptor_Count	8
139088888	Molecular_Weight	921.0
87478594	Non-hydrogen_Atom_Count	8
123628273	Total_Formal_Charge	0
234	Total_Formal_Charge	0
14416018	Rotatable_Bond_Count	0
50989726	TPSA	26
20378083	Structure_Complexity	98.6
31677	Covalent_Unit_Count	1
52598	XLogP3-AA	3.7
4432690	TPSA	321
1024	Total_Formal_Charge	0
5284529	Hydrogen_Bond_Acceptor_Count	7
87187299	Total_Formal_Charge	0
36978	Structure_Complexity	340
119196	Tautomer_Count	81
11751490	Defined_Atom_Stereo_Count	1
12302693	Defined_Bond_Stereo_Count	0
23283001	Mono_Isotopic_Weight	108.093900383
136183544	Hydrogen_Bond_Acceptor_Count	9
68713	Molecular_Weight	255.31
37239	Total_Formal_Charge	1
77650	Hydrogen_Bond_Donor_Count	0
491728	Molecular_Weight	475.4
15096	Undefined_Bond_Stereo_Count	0
13396127	Structure_Complexity	64.6
8713	Hydrogen_Bond_Acceptor_Count	2
91610	Hydrogen_Bond_Donor_Count	2
7343	Defined_Bond_Stereo_Count	0
70882	Defined_Bond_Stereo_Count	0
9176	Defined_Bond_Stereo_Count	0
18506396	Non-hydrogen_Atom_Count	8
68737	Isotope_Atom_Count	0
40470	Rotatable_Bond_Count	1
3540	Undefined_Atom_Stereo_Count	0
21875354	Exact_Mass	159.102119336
136585	TPSA	0
325	Undefined_Bond_Stereo_Count	0
139589863	Covalent_Unit_Count	1
656440	Structure_Complexity	579
23932	Undefined_Bond_Stereo_Count	0
987	Structure_Complexity	427
15038	Structure_Complexity	383
13620760	Hydrogen_Bond_Acceptor_Count	4
123628	Total_Formal_Charge	0
5288783	Non-hydrogen_Atom_Count	30
57417230	Hydrogen_Bond_Acceptor_Count	12
19604021	Mono_Isotopic_Weight	98.084398327
2734176	Non-hydrogen_Atom_Count	17
129016768	Total_Formal_Charge	0
5195	Total_Formal_Charge	0
142891	Molecular_Weight	276.07
522105	Isotope_Atom_Count	0
22385729	Hydrogen_Bond_Donor_Count	2
29138	Non-hydrogen_Atom_Count	26
72736	Rotatable_Bond_Count	12
71496458	Undefined_Bond_Stereo_Count	0
14852098	Total_Formal_Charge	0
10027781	Hydrogen_Bond_Donor_Count	4
11768539	Tautomer_Count	1
443041	XLogP3-AA	3.4
5362440	XLogP3-AA	2.8
24812	Molecular_Weight	221.17
136501	Tautomer_Count	1
22277879	Hydrogen_Bond_Donor_Count	0
81767	Undefined_Bond_Stereo_Count	0
13946	XLogP3-AA	3.4
130149197	Hydrogen_Bond_Donor_Count	1
13826	Undefined_Bond_Stereo_Count	0
10899521	Mono_Isotopic_Weight	194.130679813
75987092	Undefined_Atom_Stereo_Count	1
71397	Total_Formal_Charge	0
12164	Defined_Bond_Stereo_Count	0
91543	Covalent_Unit_Count	1
3022	TPSA	87.7
65376195	Hydrogen_Bond_Donor_Count	0
88525	Hydrogen_Bond_Donor_Count	0
66703794	Exact_Mass	171.05449518
119507	Hydrogen_Bond_Donor_Count	2
62278	Hydrogen_Bond_Donor_Count	1
68871	TPSA	12.5
145819	Tautomer_Count	1
62708	Total_Formal_Charge	0
70268689	XLogP3-AA	0.2
17806836	Defined_Bond_Stereo_Count	0
123676251	Total_Formal_Charge	0
4320947	Undefined_Atom_Stereo_Count	3
12711096	Covalent_Unit_Count	1
55298920	TPSA	29.1
336423	Defined_Atom_Stereo_Count	0
65522	Molecular_Weight	163.99
24967621	Rotatable_Bond_Count	7
47500	Undefined_Bond_Stereo_Count	0
12511868	XLogP3-AA	1.3
151707353	Molecular_Weight	112.13
67482131	Non-hydrogen_Atom_Count	28
5359541	Covalent_Unit_Count	1
22866	Defined_Bond_Stereo_Count	0
9892540	Isotope_Atom_Count	0
9877	Mono_Isotopic_Weight	147.9902769
13247016	Isotope_Atom_Count	0
441443	Total_Formal_Charge	0
698364	Hydrogen_Bond_Donor_Count	2
1613	TPSA	111
92374	Undefined_Atom_Stereo_Count	0
1549080	Total_Formal_Charge	0
3430	Total_Formal_Charge	0
146472812	XLogP3-AA	4.4
2904	Exact_Mass	379.0427261
393602	Rotatable_Bond_Count	5
129645691	Hydrogen_Bond_Acceptor_Count	15
5282182	Undefined_Atom_Stereo_Count	0
78073889	Non-hydrogen_Atom_Count	88
4015	Structure_Complexity	428
11052038	Non-hydrogen_Atom_Count	6
140519105	Mono_Isotopic_Weight	97.063997236
3014106	Exact_Mass	112.052429494
162342152	Non-hydrogen_Atom_Count	8
132305	Hydrogen_Bond_Acceptor_Count	7
17956339	Hydrogen_Bond_Acceptor_Count	8
11339	TPSA	115
45933886	Defined_Bond_Stereo_Count	0
135921134	Structure_Complexity	1620
55472	Structure_Complexity	487
20226581	Isotope_Atom_Count	0
688561	Molecular_Weight	290.36
71339534	Molecular_Weight	472.7
151092	Exact_Mass	335.0689374
22385728	Undefined_Bond_Stereo_Count	0
19757496	Mono_Isotopic_Weight	108.01868458
296732	Rotatable_Bond_Count	2
6178111	Non-hydrogen_Atom_Count	17
25381	Covalent_Unit_Count	2
65506	Covalent_Unit_Count	5
10264356	XLogP3	2.5
58460742	Hydrogen_Bond_Acceptor_Count	1
136582	Undefined_Bond_Stereo_Count	0
74506	Isotope_Atom_Count	0
4910	TPSA	29.5
94395	Non-hydrogen_Atom_Count	5
18380130	Molecular_Weight	116.12
135538685	Exact_Mass	247.10692467
21249654	Total_Formal_Charge	2
67821	Mono_Isotopic_Weight	463.9705080
5464097	Exact_Mass	402.21547206
77611871	Rotatable_Bond_Count	1
5367222	Undefined_Atom_Stereo_Count	0
9927058	Undefined_Bond_Stereo_Count	0
68675439	Undefined_Atom_Stereo_Count	2
136382971	Covalent_Unit_Count	1
4627783	Exact_Mass	112.088815002
7469	Undefined_Bond_Stereo_Count	0
5282544	Covalent_Unit_Count	1
4369502	XLogP3-AA	3.1
22646212	Defined_Bond_Stereo_Count	0
76403	Rotatable_Bond_Count	1
7610	Exact_Mass	137.084063974
86266	Total_Formal_Charge	0
144813235	Structure_Complexity	139
41037	Undefined_Atom_Stereo_Count	1
68790	Covalent_Unit_Count	1
22182	Mono_Isotopic_Weight	392.1997337
4812	Undefined_Bond_Stereo_Count	1
348256	Rotatable_Bond_Count	1
9935073	Exact_Mass	484.1419441
13205839	TPSA	29
4770	Undefined_Bond_Stereo_Count	0
450268	Hydrogen_Bond_Acceptor_Count	4
12456	Covalent_Unit_Count	2
68193	Rotatable_Bond_Count	1
8376	Hydrogen_Bond_Donor_Count	0
91766	Rotatable_Bond_Count	4
14939066	Defined_Atom_Stereo_Count	0
10331863	Exact_Mass	240.10627659
66793	Hydrogen_Bond_Acceptor_Count	4
11380778	Total_Formal_Charge	0
60946	Structure_Complexity	579
7193	Molecular_Weight	192.25
92763	Undefined_Atom_Stereo_Count	0
5492688	Rotatable_Bond_Count	6
55802	Non-hydrogen_Atom_Count	16
21703573	Defined_Atom_Stereo_Count	0
12715	Isotope_Atom_Count	0
25563891	Undefined_Bond_Stereo_Count	0
138125	Undefined_Atom_Stereo_Count	1
7436	Rotatable_Bond_Count	3
61930	Isotope_Atom_Count	0
439501	Exact_Mass	584.28327683
44346	Defined_Atom_Stereo_Count	0
39836	Rotatable_Bond_Count	7
54338696	Undefined_Bond_Stereo_Count	1
8571	Defined_Atom_Stereo_Count	0
118978207	Defined_Bond_Stereo_Count	0
9704	Undefined_Bond_Stereo_Count	0
23447037	TPSA	145
139829	TPSA	0
3539116	Tautomer_Count	1
13642940	Exact_Mass	105.032697108
57057056	Molecular_Weight	116.16
74823	Rotatable_Bond_Count	4
25912	Undefined_Atom_Stereo_Count	0
19382908	Isotope_Atom_Count	0
77456	Hydrogen_Bond_Donor_Count	0
135409535	Hydrogen_Bond_Donor_Count	4
13858	Mono_Isotopic_Weight	109.052763847
84647730	Mono_Isotopic_Weight	116.083729621
4679699	Molecular_Weight	188.57
2091	Total_Formal_Charge	0
15778463	TPSA	26.3
442374	Defined_Atom_Stereo_Count	0
17792660	Mono_Isotopic_Weight	217.121512110
53317992	Structure_Complexity	174
8407	Total_Formal_Charge	0
2998624	Isotope_Atom_Count	0
6437841	Structure_Complexity	539
76376	Undefined_Bond_Stereo_Count	0
54848	Defined_Bond_Stereo_Count	0
19028568	Hydrogen_Bond_Donor_Count	1
10251042	Rotatable_Bond_Count	3
12895043	TPSA	60.7
2816105	Mono_Isotopic_Weight	313.13611680
1382059	Structure_Complexity	113
6446	Total_Formal_Charge	0
130872	Exact_Mass	260.02971899
32281	Undefined_Atom_Stereo_Count	3
202	Isotope_Atom_Count	0
14527402	Hydrogen_Bond_Donor_Count	0
9547928	XLogP3-AA	3.2
98044763	Defined_Bond_Stereo_Count	0
15728264	Hydrogen_Bond_Acceptor_Count	4
67497	Tautomer_Count	1
107377	XLogP3-AA	4.5
9048976	Molecular_Weight	336.5
41912	Defined_Bond_Stereo_Count	0
12962868	Structure_Complexity	98.4
112322	Undefined_Bond_Stereo_Count	0
70543261	Mono_Isotopic_Weight	180.06338810
6438149	Hydrogen_Bond_Acceptor_Count	6
25127622	Isotope_Atom_Count	0
139062656	Defined_Bond_Stereo_Count	0
167305	Defined_Bond_Stereo_Count	0
5283748	Hydrogen_Bond_Acceptor_Count	3
58638	Non-hydrogen_Atom_Count	20
77574	Covalent_Unit_Count	1
27655	Mono_Isotopic_Weight	151.9876363
104940	Exact_Mass	338.07903816
91264731	Covalent_Unit_Count	1
12940701	Undefined_Bond_Stereo_Count	0
54393307	Total_Formal_Charge	0
13809010	Rotatable_Bond_Count	1
4961971	Hydrogen_Bond_Donor_Count	2
14379924	Rotatable_Bond_Count	1
3034814	Hydrogen_Bond_Donor_Count	1
72076	Undefined_Atom_Stereo_Count	0
45040316	Structure_Complexity	457
23378923	Hydrogen_Bond_Donor_Count	1
694876	Covalent_Unit_Count	1
82326	Covalent_Unit_Count	2
9529	Exact_Mass	260.04584451
7977	Rotatable_Bond_Count	0
75192	Molecular_Weight	212.25
71365	TPSA	137
35922	Undefined_Bond_Stereo_Count	0
71693	Molecular_Weight	311.4
129195194	Covalent_Unit_Count	1
21513403	Undefined_Bond_Stereo_Count	0
159977	Exact_Mass	297.15896025
817967	Undefined_Bond_Stereo_Count	0
518964	Covalent_Unit_Count	1
92660	Non-hydrogen_Atom_Count	15
56680102	Mono_Isotopic_Weight	480.09039069
38409	Hydrogen_Bond_Donor_Count	1
56955067	Hydrogen_Bond_Acceptor_Count	2
11569967	XLogP3-AA	3.2
14200531	XLogP3-AA	1.3
11911	Defined_Bond_Stereo_Count	0
156614059	Covalent_Unit_Count	2
12144388	Non-hydrogen_Atom_Count	8
84567	Defined_Bond_Stereo_Count	0
126843096	XLogP3-AA	1
11954350	Defined_Atom_Stereo_Count	1
10197643	Exact_Mass	103.063328530
556035	Defined_Atom_Stereo_Count	0
11575	Total_Formal_Charge	0
1973	Structure_Complexity	564
24848788	Structure_Complexity	156
7713	Covalent_Unit_Count	1
249266	Undefined_Atom_Stereo_Count	0
72276	XLogP3	0.4
72296	Total_Formal_Charge	0
11712649	Total_Formal_Charge	0
535535	Undefined_Bond_Stereo_Count	0
54153355	Structure_Complexity	240
90916291	Non-hydrogen_Atom_Count	6
16052007	TPSA	137
10132189	Defined_Bond_Stereo_Count	0
1044	Undefined_Atom_Stereo_Count	0
64402	Covalent_Unit_Count	1
92363	Rotatable_Bond_Count	1
6923	Mono_Isotopic_Weight	150.104465066
154152828	Mono_Isotopic_Weight	92.062600255
83095	Mono_Isotopic_Weight	168.0301698
53317121	Covalent_Unit_Count	1
693318	Structure_Complexity	251
13485104	Undefined_Atom_Stereo_Count	1
16051947	Non-hydrogen_Atom_Count	56
23665647	Mono_Isotopic_Weight	112.02904639
62878	Defined_Bond_Stereo_Count	0
2762647	Rotatable_Bond_Count	1
98651	XLogP3-AA	3.5
49867936	TPSA	168
517121	Structure_Complexity	225
23688976	Defined_Atom_Stereo_Count	0
9797059	Molecular_Weight	318.30
10275777	Defined_Atom_Stereo_Count	0
59483386	Molecular_Weight	116.12
20333380	Hydrogen_Bond_Acceptor_Count	4
10967	Defined_Atom_Stereo_Count	0
184644	Defined_Atom_Stereo_Count	12
23676755	Undefined_Bond_Stereo_Count	0
21389388	TPSA	38.3
17994152	Mono_Isotopic_Weight	62.036779430
6377	Hydrogen_Bond_Donor_Count	1
20735704	Total_Formal_Charge	0
159832	Undefined_Atom_Stereo_Count	0
12561666	Hydrogen_Bond_Acceptor_Count	1
13415147	Rotatable_Bond_Count	2
70686982	Rotatable_Bond_Count	6
24866519	Hydrogen_Bond_Donor_Count	3
20497487	Hydrogen_Bond_Donor_Count	0
24785538	Mono_Isotopic_Weight	461.20878459
93680	TPSA	98.7
15140308	Rotatable_Bond_Count	3
124013	Defined_Atom_Stereo_Count	0
87826555	Defined_Atom_Stereo_Count	0
1096	Mono_Isotopic_Weight	921.249292
3040	XLogP3	3.6
599202	Hydrogen_Bond_Donor_Count	0
67054	Hydrogen_Bond_Donor_Count	2
5852	Structure_Complexity	124
9567537	Covalent_Unit_Count	1
18628727	Covalent_Unit_Count	1
87321867	Rotatable_Bond_Count	1
14875988	Defined_Atom_Stereo_Count	0
8259	Hydrogen_Bond_Acceptor_Count	1
538757	Non-hydrogen_Atom_Count	10
9578243	Mono_Isotopic_Weight	292.14230712
11064502	Hydrogen_Bond_Acceptor_Count	7
12561970	Hydrogen_Bond_Donor_Count	0
135398579	Defined_Bond_Stereo_Count	0
13195837	Isotope_Atom_Count	0
6919629	Defined_Bond_Stereo_Count	0
64666310	Non-hydrogen_Atom_Count	8
2467	TPSA	48
132130914	Total_Formal_Charge	0
4847	Hydrogen_Bond_Donor_Count	0
60196261	Undefined_Bond_Stereo_Count	0
71308696	Undefined_Atom_Stereo_Count	1
5490846	XLogP3-AA	2
31200	Non-hydrogen_Atom_Count	17
137701	Molecular_Weight	86.13
14912114	Molecular_Weight	106.16
1103	Tautomer_Count	1
72941505	Rotatable_Bond_Count	7
16036825	Undefined_Bond_Stereo_Count	0
13685820	Total_Formal_Charge	0
11450	XLogP3	3.3
153834924	TPSA	47.6
15461361	TPSA	26.3
124524088	Hydrogen_Bond_Acceptor_Count	16
24780352	Hydrogen_Bond_Donor_Count	2
440068	XLogP3-AA	5.6
73005	Total_Formal_Charge	0
419176	Defined_Atom_Stereo_Count	0
87063833	Molecular_Weight	178.76
61739	Covalent_Unit_Count	1
146776289	Isotope_Atom_Count	0
71346	Exact_Mass	454.17737247
112072	Defined_Bond_Stereo_Count	0
55288840	Structure_Complexity	161
14587284	Mono_Isotopic_Weight	99.032028402
550687	Non-hydrogen_Atom_Count	7
398596	Isotope_Atom_Count	0
5464076	Non-hydrogen_Atom_Count	32
71719561	Defined_Atom_Stereo_Count	0
24096961	Defined_Bond_Stereo_Count	0
129754695	Undefined_Atom_Stereo_Count	2
2724505	Undefined_Atom_Stereo_Count	0
97971	Mono_Isotopic_Weight	233.9850495
130054486	XLogP3-AA	0.6
140659510	Rotatable_Bond_Count	1
1069125	Hydrogen_Bond_Acceptor_Count	2
141344	Defined_Bond_Stereo_Count	0
11801	Hydrogen_Bond_Donor_Count	0
139073990	Molecular_Weight	284.35
44257207	Rotatable_Bond_Count	3
25141092	Isotope_Atom_Count	0
10887840	Defined_Bond_Stereo_Count	0
4283	Defined_Atom_Stereo_Count	0
12648279	Mono_Isotopic_Weight	134.0498427
6433951	Molecular_Weight	370.4
87300	Hydrogen_Bond_Donor_Count	1
14354	Mono_Isotopic_Weight	214.074227566
8362	Rotatable_Bond_Count	3
7785	Hydrogen_Bond_Donor_Count	0
91561252	Mono_Isotopic_Weight	112.088815002
23082568	Defined_Atom_Stereo_Count	0
54099616	Defined_Bond_Stereo_Count	0
10993649	Total_Formal_Charge	0
197	Undefined_Atom_Stereo_Count	4
12102	Covalent_Unit_Count	1
66769579	Exact_Mass	97.052763847
15951529	Defined_Atom_Stereo_Count	0
542372	XLogP3-AA	2.3
69347980	Exact_Mass	476.1633482
6433266	Covalent_Unit_Count	1
7946	Tautomer_Count	1
71459165	Molecular_Weight	292.4
220878	Isotope_Atom_Count	0
20912	Structure_Complexity	93.8
76198	Isotope_Atom_Count	0
92159	Defined_Atom_Stereo_Count	0
71402	Non-hydrogen_Atom_Count	30
17131	Tautomer_Count	1
12298493	Exact_Mass	109.052763847
447377	Covalent_Unit_Count	1
202792	TPSA	57.1
682	Molecular_Weight	195.17
5311053	XLogP3	2.7
163591174	Undefined_Bond_Stereo_Count	0
3172	TPSA	3.2
54384029	Rotatable_Bond_Count	0
57401684	TPSA	102
54360	TPSA	35.9
21938314	Defined_Bond_Stereo_Count	0
139759	Exact_Mass	14.03200687
5351564	Non-hydrogen_Atom_Count	24
17841655	Defined_Bond_Stereo_Count	0
44417326	Undefined_Atom_Stereo_Count	2
11701673	Mono_Isotopic_Weight	263.956853
120738	Exact_Mass	261.172878976
557356	Non-hydrogen_Atom_Count	11
969462	Undefined_Bond_Stereo_Count	0
10017965	Defined_Bond_Stereo_Count	0
68016611	Covalent_Unit_Count	1
40846579	Hydrogen_Bond_Donor_Count	2
104805	Rotatable_Bond_Count	0
402045	Structure_Complexity	719
136576216	TPSA	26
61594	XLogP3-AA	4.2
71311382	Structure_Complexity	443
16351	Non-hydrogen_Atom_Count	23
14392758	Isotope_Atom_Count	0
44571147	TPSA	74.5
112042	TPSA	35.5
93532990	Undefined_Bond_Stereo_Count	0
86488	Non-hydrogen_Atom_Count	17
5281614	Covalent_Unit_Count	1
10977	Mono_Isotopic_Weight	106.0549280
68841	Exact_Mass	185.00892397
56665391	XLogP3-AA	4.8
6399650	Covalent_Unit_Count	1
136203056	Isotope_Atom_Count	0
4518	Covalent_Unit_Count	1
80220	Hydrogen_Bond_Donor_Count	2
941915	Undefined_Atom_Stereo_Count	0
138375	Total_Formal_Charge	0
60196352	Isotope_Atom_Count	0
564847	Undefined_Atom_Stereo_Count	0
45257	Mono_Isotopic_Weight	291.18344366
24409	Undefined_Atom_Stereo_Count	0
18139	Hydrogen_Bond_Acceptor_Count	4
55276371	Defined_Bond_Stereo_Count	0
13011	Exact_Mass	142.0185425
7931	Hydrogen_Bond_Acceptor_Count	0
44320150	Isotope_Atom_Count	0
2799	Structure_Complexity	401
84106834	TPSA	12
42040	Total_Formal_Charge	0
12547675	Hydrogen_Bond_Donor_Count	0
49997	Non-hydrogen_Atom_Count	26
625239	Molecular_Weight	285.3
3485	Rotatable_Bond_Count	4
3246242	Non-hydrogen_Atom_Count	22
11632113	Exact_Mass	371.12813423
140511	Defined_Atom_Stereo_Count	0
129888394	Defined_Atom_Stereo_Count	0
90427261	Rotatable_Bond_Count	2
16213711	Defined_Atom_Stereo_Count	0
11850698	Undefined_Atom_Stereo_Count	0
2762659	Undefined_Atom_Stereo_Count	0
12443367	Exact_Mass	82.027946081
3032576	Mono_Isotopic_Weight	324.183778013
22341299	Hydrogen_Bond_Acceptor_Count	4
2813	Undefined_Bond_Stereo_Count	0
9212	Total_Formal_Charge	0
59296073	TPSA	111
56672297	Exact_Mass	410.16666561
178103	Total_Formal_Charge	0
130804992	Defined_Atom_Stereo_Count	0
138496	TPSA	50.8
14453671	Undefined_Bond_Stereo_Count	0
8020	XLogP3	0.2
11286453	Total_Formal_Charge	0
3051	Covalent_Unit_Count	1
68840	Hydrogen_Bond_Acceptor_Count	1
143694905	Non-hydrogen_Atom_Count	7
20035	XLogP3	2.6
92041	Mono_Isotopic_Weight	158.04915563
68576	Undefined_Bond_Stereo_Count	0
19888379	Defined_Bond_Stereo_Count	0
66783827	Undefined_Atom_Stereo_Count	2
9889168	Covalent_Unit_Count	2
66609	Defined_Bond_Stereo_Count	0
141543352	XLogP3-AA	1.1
107045	Hydrogen_Bond_Acceptor_Count	4
12914157	Total_Formal_Charge	0
137609	Covalent_Unit_Count	1
12507028	Defined_Bond_Stereo_Count	0
11320921	Isotope_Atom_Count	0
12476687	Hydrogen_Bond_Donor_Count	0
71751164	Undefined_Atom_Stereo_Count	0
542381	Hydrogen_Bond_Donor_Count	1
129027658	Defined_Bond_Stereo_Count	0
674976	Isotope_Atom_Count	0
154734173	XLogP3-AA	0.2
13496871	XLogP3-AA	0.7
74651	Defined_Bond_Stereo_Count	0
154067559	Total_Formal_Charge	0
17244	Hydrogen_Bond_Donor_Count	0
68022407	Defined_Atom_Stereo_Count	0
88153493	Undefined_Bond_Stereo_Count	0
9892815	Mono_Isotopic_Weight	518.13345680
15810462	Covalent_Unit_Count	1
67507057	Covalent_Unit_Count	1
2443	Non-hydrogen_Atom_Count	43
864	Molecular_Weight	206.3
12452021	Mono_Isotopic_Weight	113.084063974
2775641	Exact_Mass	114.068079557
162246	Structure_Complexity	585
4955	Undefined_Bond_Stereo_Count	2
134812007	Rotatable_Bond_Count	1
448133	Hydrogen_Bond_Donor_Count	4
186114	Tautomer_Count	2
65963	Defined_Bond_Stereo_Count	0
6443803	Undefined_Atom_Stereo_Count	0
22386086	Exact_Mass	115.063328530
14992	Undefined_Atom_Stereo_Count	0
78960	Undefined_Bond_Stereo_Count	0
31903	Structure_Complexity	376
11470068	Defined_Bond_Stereo_Count	0
282471	Undefined_Bond_Stereo_Count	0
95354	Defined_Bond_Stereo_Count	0
4845	Total_Formal_Charge	0
15158	Mono_Isotopic_Weight	161.9404218
44311686	Exact_Mass	349.0829337
22096	Defined_Atom_Stereo_Count	0
6435068	Structure_Complexity	574
23056	Non-hydrogen_Atom_Count	25
70314955	Exact_Mass	112.027277375
5282108	TPSA	17.1
54580844	Isotope_Atom_Count	0
135489810	Exact_Mass	113.058911855
25195346	Undefined_Atom_Stereo_Count	0
70695760	Covalent_Unit_Count	1
9811353	Defined_Atom_Stereo_Count	10
7090	Hydrogen_Bond_Acceptor_Count	2
9926639	Total_Formal_Charge	0
54688694	Tautomer_Count	288
69341863	Structure_Complexity	76.8
123359	Non-hydrogen_Atom_Count	2
74404	Defined_Bond_Stereo_Count	0
30856	Non-hydrogen_Atom_Count	2
1329	Exact_Mass	304.18992602
248271	XLogP3-AA	6.9
439302	Mono_Isotopic_Weight	1006.43645793
70700216	Rotatable_Bond_Count	2
52195	XLogP3-AA	3
22160831	TPSA	33
372	Structure_Complexity	348
219104	TPSA	79.3
7652	Total_Formal_Charge	0
12149091	Non-hydrogen_Atom_Count	42
58420727	Hydrogen_Bond_Acceptor_Count	3
71584053	Hydrogen_Bond_Donor_Count	1
32048	Tautomer_Count	1
87605	Molecular_Weight	116.20
660	Hydrogen_Bond_Acceptor_Count	2
62556	Defined_Bond_Stereo_Count	0
12868288	Exact_Mass	114.104465066
9835303	Defined_Atom_Stereo_Count	7
5311454	XLogP3	3.6
51040	XLogP3-AA	4.8
53920622	Mono_Isotopic_Weight	99.032028402
35717	Structure_Complexity	235
442793	Structure_Complexity	293
408536	TPSA	23.5
33653	Mono_Isotopic_Weight	278.1073575
534204	Molecular_Weight	96.13
11214	Molecular_Weight	548.7
5328791	Rotatable_Bond_Count	2
627386	Hydrogen_Bond_Donor_Count	1
222536	Structure_Complexity	125
91895876	Undefined_Bond_Stereo_Count	0
938021	Undefined_Atom_Stereo_Count	0
139269842	Hydrogen_Bond_Acceptor_Count	3
8749	XLogP3	1.8
80873	Molecular_Weight	360.6
24972597	Rotatable_Bond_Count	1
122640	Covalent_Unit_Count	1
686073	XLogP3-AA	2.9
91688	XLogP3-AA	5.1
25104740	Covalent_Unit_Count	1
48654	Defined_Bond_Stereo_Count	0
25202562	Hydrogen_Bond_Donor_Count	0
10158453	Exact_Mass	409.0914706
10088189	Covalent_Unit_Count	1
19066	Defined_Atom_Stereo_Count	0
123504	TPSA	37.3
67210	Exact_Mass	298.02258592
118701038	Rotatable_Bond_Count	0
70680234	Isotope_Atom_Count	0
11073371	Exact_Mass	110.073164938
61207	Total_Formal_Charge	0
73005	Undefined_Atom_Stereo_Count	1
3033984	Total_Formal_Charge	0
526950	Defined_Atom_Stereo_Count	0
725300	Structure_Complexity	434
13521	Defined_Atom_Stereo_Count	0
63503	Defined_Bond_Stereo_Count	0
996	Structure_Complexity	46.1
56950301	Structure_Complexity	732
24866733	Total_Formal_Charge	0
72506564	Exact_Mass	93.021463719
2413	Defined_Atom_Stereo_Count	0
98615047	Hydrogen_Bond_Donor_Count	0
25190761	Structure_Complexity	417
20361855	Exact_Mass	102.079312947
15650	Hydrogen_Bond_Donor_Count	0
11806375	Molecular_Weight	226.27
115348	Isotope_Atom_Count	0
312915	Defined_Atom_Stereo_Count	0
54929	Isotope_Atom_Count	0
165363410	Isotope_Atom_Count	0
121494046	Molecular_Weight	181.15
28107	Mono_Isotopic_Weight	827.46672049
104774	Hydrogen_Bond_Acceptor_Count	4
137148307	TPSA	140
53707229	Hydrogen_Bond_Donor_Count	0
66561	Non-hydrogen_Atom_Count	14
37251	Hydrogen_Bond_Donor_Count	0
135889896	Defined_Bond_Stereo_Count	5
62379	Mono_Isotopic_Weight	355.18746
13831	Exact_Mass	202.185037859
3036824	Isotope_Atom_Count	0
524236	Structure_Complexity	70.8
7967	Rotatable_Bond_Count	0
139584100	Non-hydrogen_Atom_Count	92
23663969	Covalent_Unit_Count	2
7029	Structure_Complexity	193
8053	Tautomer_Count	1
53249784	Exact_Mass	205.11142153
45277565	TPSA	192
5282468	Isotope_Atom_Count	0
54760133	Hydrogen_Bond_Acceptor_Count	7
14221107	Exact_Mass	98.073164938
10953595	Structure_Complexity	146
4078	Undefined_Bond_Stereo_Count	0
11073371	Undefined_Atom_Stereo_Count	0
8588	Molecular_Weight	210.27
93542	Rotatable_Bond_Count	5
81784	Tautomer_Count	1
19884375	Rotatable_Bond_Count	3
522	Covalent_Unit_Count	1
23725051	Structure_Complexity	237
9821174	Rotatable_Bond_Count	4
12754	Rotatable_Bond_Count	0
8398	Total_Formal_Charge	0
6533	Rotatable_Bond_Count	8
22986754	Defined_Bond_Stereo_Count	0
10441658	Exact_Mass	105.078978594
104775	Undefined_Bond_Stereo_Count	0
6927356	XLogP3	2.6
6399259	Exact_Mass	413.04637556
124328800	Non-hydrogen_Atom_Count	36
74823	Structure_Complexity	241
75755	Defined_Atom_Stereo_Count	0
53873414	Defined_Atom_Stereo_Count	0
20209050	TPSA	46.6
16084	Defined_Atom_Stereo_Count	0
507	Defined_Bond_Stereo_Count	0
4518	Hydrogen_Bond_Donor_Count	2
49787489	Exact_Mass	220.13757671
25563891	Mono_Isotopic_Weight	241.110278721
2082	Isotope_Atom_Count	0
11605	Mono_Isotopic_Weight	80.062600255
6715	Rotatable_Bond_Count	1
519842	XLogP3-AA	1.7
119607	Exact_Mass	314.07251349
537121	Defined_Bond_Stereo_Count	0
23651142	Rotatable_Bond_Count	5
13684981	Defined_Atom_Stereo_Count	0
3032306	Defined_Atom_Stereo_Count	0
24892867	TPSA	43.1
6917972	Structure_Complexity	71
94508	XLogP3-AA	2.2
132281459	Covalent_Unit_Count	2
16076883	TPSA	191
12648409	Hydrogen_Bond_Donor_Count	1
887830	Rotatable_Bond_Count	3
66193	Molecular_Weight	174.19
20439251	Rotatable_Bond_Count	3
99474	Undefined_Bond_Stereo_Count	0
9500	Covalent_Unit_Count	1
6096206	Molecular_Weight	830.7
11953960	Rotatable_Bond_Count	8
68186	Undefined_Bond_Stereo_Count	0
166652	Non-hydrogen_Atom_Count	7
24785025	Defined_Atom_Stereo_Count	0
91170688	TPSA	60.7
102426	Non-hydrogen_Atom_Count	20
21869002	Exact_Mass	118.062994177
192706	Mono_Isotopic_Weight	337.17902698
3060974	Exact_Mass	441.1819195
10953434	Structure_Complexity	76.1
54602348	Undefined_Atom_Stereo_Count	0
55255285	Undefined_Bond_Stereo_Count	0
21120209	Exact_Mass	222.0587557
66062	Undefined_Bond_Stereo_Count	0
5090	Defined_Bond_Stereo_Count	0
6431771	Molecular_Weight	343.32
1473603	Isotope_Atom_Count	0
5360886	Non-hydrogen_Atom_Count	20
135442	XLogP3-AA	2.3
96299	Rotatable_Bond_Count	1
2879	Mono_Isotopic_Weight	108.057514874
16473	Undefined_Atom_Stereo_Count	0
78228	Defined_Atom_Stereo_Count	0
6420023	Isotope_Atom_Count	0
56665390	Defined_Bond_Stereo_Count	0
36552	Exact_Mass	427.05079224
20373272	TPSA	9.2
3877	Hydrogen_Bond_Donor_Count	2
81097	Undefined_Bond_Stereo_Count	0
2770166	TPSA	82.5
10086446	Hydrogen_Bond_Donor_Count	0
519642	Molecular_Weight	110.18
21614503	Isotope_Atom_Count	0
133640194	Non-hydrogen_Atom_Count	17
9306	Total_Formal_Charge	0
19648	TPSA	922
230	Total_Formal_Charge	0
63088	Exact_Mass	325.880439
18656	Undefined_Bond_Stereo_Count	0
241902	Defined_Atom_Stereo_Count	9
3045381	TPSA	60.5
25374	Undefined_Atom_Stereo_Count	0
15673	Defined_Atom_Stereo_Count	0
36604	TPSA	12
6992027	Mono_Isotopic_Weight	433.21138974
23663403	Molecular_Weight	380.4
76225552	Hydrogen_Bond_Acceptor_Count	2
4011971	Isotope_Atom_Count	0
11284169	Exact_Mass	543.26545920
2734903	TPSA	58.2
9191	XLogP3-AA	3.4
440966	Total_Formal_Charge	0
25141092	Structure_Complexity	847
91538	Defined_Atom_Stereo_Count	0
77058	Non-hydrogen_Atom_Count	7
68780878	Mono_Isotopic_Weight	398.17427596
6145	Total_Formal_Charge	0
44123300	Defined_Bond_Stereo_Count	0
53466	Rotatable_Bond_Count	4
24358	Hydrogen_Bond_Donor_Count	0
9912771	Defined_Bond_Stereo_Count	0
135423375	Hydrogen_Bond_Donor_Count	4
20216719	Undefined_Bond_Stereo_Count	0
26444	Rotatable_Bond_Count	1
129847163	Structure_Complexity	382
21614503	XLogP3-AA	0.6
21028424	Defined_Bond_Stereo_Count	0
25027363	Defined_Atom_Stereo_Count	11
54152819	Molecular_Weight	109.09
69885	Covalent_Unit_Count	1
5283316	Covalent_Unit_Count	1
40466862	Isotope_Atom_Count	0
519415	Exact_Mass	146.130679813
5360886	TPSA	62.1
8678	Mono_Isotopic_Weight	182.105527694
15993	Hydrogen_Bond_Acceptor_Count	16
61099	Undefined_Atom_Stereo_Count	2
16684171	Defined_Bond_Stereo_Count	0
18338555	Molecular_Weight	126.18
24949398	Hydrogen_Bond_Donor_Count	3
11020241	Structure_Complexity	232
21779240	Undefined_Atom_Stereo_Count	0
43935	Hydrogen_Bond_Acceptor_Count	3
42317	Undefined_Bond_Stereo_Count	0
48955	Hydrogen_Bond_Donor_Count	0
53773588	Undefined_Bond_Stereo_Count	1
57064571	Hydrogen_Bond_Donor_Count	0
5282414	Covalent_Unit_Count	2
67707714	Mono_Isotopic_Weight	114.068079557
85576	Structure_Complexity	136
54870	TPSA	28.5
59630221	Isotope_Atom_Count	0
3641	Exact_Mass	404.21988874
168365	Defined_Atom_Stereo_Count	0
8089	Rotatable_Bond_Count	21
51762	Exact_Mass	326.12263431
5280373	Undefined_Atom_Stereo_Count	0
60196302	Molecular_Weight	378.5
135421442	Molecular_Weight	516.7
48384	Structure_Complexity	242
25273607	Rotatable_Bond_Count	6
12077313	Non-hydrogen_Atom_Count	13
70682584	Exact_Mass	438.18379527
638011	Covalent_Unit_Count	1
3123	Hydrogen_Bond_Donor_Count	4
43234	XLogP3	3.5
146158781	Covalent_Unit_Count	2
7313	Tautomer_Count	1
11455910	Defined_Atom_Stereo_Count	0
12285822	Undefined_Bond_Stereo_Count	0
6434217	Covalent_Unit_Count	1
95850	TPSA	67.8
67591	Covalent_Unit_Count	1
19254	Molecular_Weight	262.30
6319	Molecular_Weight	260.3
19974934	Non-hydrogen_Atom_Count	8
89646	Defined_Atom_Stereo_Count	0
157690	Total_Formal_Charge	0
20470622	Defined_Atom_Stereo_Count	0
14359030	Hydrogen_Bond_Donor_Count	0
137580	XLogP3	2.1
91810695	Mono_Isotopic_Weight	976.3034938
9548605	Undefined_Bond_Stereo_Count	0
71343994	Structure_Complexity	90.4
11111992	Molecular_Weight	393.5
292103	Structure_Complexity	56
23432895	Non-hydrogen_Atom_Count	8
5086465	XLogP3-AA	0.8
53846425	Isotope_Atom_Count	0
4231972	Defined_Atom_Stereo_Count	0
522065	Molecular_Weight	146.30
10158453	Hydrogen_Bond_Donor_Count	1
156580566	Undefined_Atom_Stereo_Count	0
20011	Molecular_Weight	251.15
263639	Covalent_Unit_Count	1
22002061	Covalent_Unit_Count	1
46930998	Isotope_Atom_Count	0
78330	Total_Formal_Charge	0
11692123	Hydrogen_Bond_Acceptor_Count	8
60152109	TPSA	95.1
13257	Hydrogen_Bond_Donor_Count	0
17928	Rotatable_Bond_Count	0
221	Hydrogen_Bond_Acceptor_Count	8
721947	Mono_Isotopic_Weight	332.9838118
99295	Defined_Atom_Stereo_Count	0
58962911	Exact_Mass	463.0636514
2951	Undefined_Bond_Stereo_Count	1
68547	Rotatable_Bond_Count	3
5460364	Mono_Isotopic_Weight	115.039519081
69340938	Defined_Atom_Stereo_Count	0
60558	Molecular_Weight	575.6
13348002	Mono_Isotopic_Weight	108.093900383
18680274	Defined_Atom_Stereo_Count	0
6436449	Structure_Complexity	432
643984	Rotatable_Bond_Count	3
5508	Covalent_Unit_Count	1
198008	Molecular_Weight	482.17
5611	Non-hydrogen_Atom_Count	22
4816	Covalent_Unit_Count	1
16049374	Exact_Mass	481.1260618
10329254	Structure_Complexity	57.2
65084	Structure_Complexity	380
2174	Covalent_Unit_Count	1
74839	Hydrogen_Bond_Donor_Count	2
139062015	Covalent_Unit_Count	2
75531	Non-hydrogen_Atom_Count	14
71456042	Non-hydrogen_Atom_Count	34
26058	Exact_Mass	170.203450829
444215	Covalent_Unit_Count	1
10953443	Undefined_Atom_Stereo_Count	0
6562	Undefined_Bond_Stereo_Count	0
221511	Total_Formal_Charge	0
92321	Hydrogen_Bond_Acceptor_Count	4
98181809	Hydrogen_Bond_Donor_Count	1
426	Tautomer_Count	2
7732	Total_Formal_Charge	0
2132	Structure_Complexity	259
134694392	Defined_Atom_Stereo_Count	4
19829703	Total_Formal_Charge	0
130881	Covalent_Unit_Count	1
55285	Undefined_Bond_Stereo_Count	0
12431621	Structure_Complexity	55
65802	TPSA	87.2
98723	Undefined_Bond_Stereo_Count	0
5486198	Covalent_Unit_Count	1
85694	Molecular_Weight	398.6
22628	Exact_Mass	380.93066
16769	Rotatable_Bond_Count	5
9116	Rotatable_Bond_Count	0
23667638	Molecular_Weight	255.97
4866	Covalent_Unit_Count	1
74825	TPSA	18.5
9844225	Covalent_Unit_Count	2
61184	Structure_Complexity	86.9
71429557	Isotope_Atom_Count	0
57395973	Covalent_Unit_Count	1
87663787	XLogP3-AA	0.6
77687	Undefined_Bond_Stereo_Count	0
640308	Defined_Atom_Stereo_Count	0
57394195	Exact_Mass	457.25294081
123264207	Undefined_Atom_Stereo_Count	0
593	Covalent_Unit_Count	1
71448984	Undefined_Bond_Stereo_Count	0
84531	Undefined_Atom_Stereo_Count	0
91030322	Undefined_Bond_Stereo_Count	1
6950353	Undefined_Bond_Stereo_Count	0
13618	Mono_Isotopic_Weight	195.924948
68600	Defined_Atom_Stereo_Count	2
123347622	Covalent_Unit_Count	1
86590530	Rotatable_Bond_Count	0
20759	Mono_Isotopic_Weight	150.068079557
5354264	Total_Formal_Charge	0
11225217	Molecular_Weight	472.0
143339316	Defined_Atom_Stereo_Count	0
64111	Structure_Complexity	693
9843941	Tautomer_Count	1
33037	Non-hydrogen_Atom_Count	14
176864	Defined_Bond_Stereo_Count	0
3001028	Structure_Complexity	624
59844561	Isotope_Atom_Count	0
12604	Undefined_Atom_Stereo_Count	0
10865248	Undefined_Bond_Stereo_Count	0
25126798	Molecular_Weight	306.4
101348253	Exact_Mass	192.126263138
5491989	Undefined_Atom_Stereo_Count	0
76225552	Structure_Complexity	80.1
10073773	Rotatable_Bond_Count	5
9863447	Isotope_Atom_Count	0
23545554	Undefined_Bond_Stereo_Count	0
163190000	Non-hydrogen_Atom_Count	50
54686261	Structure_Complexity	569
131954608	Non-hydrogen_Atom_Count	46
137331882	Hydrogen_Bond_Donor_Count	1
59648985	Rotatable_Bond_Count	0
165363121	Hydrogen_Bond_Donor_Count	0
68739990	Undefined_Atom_Stereo_Count	0
7000	XLogP3	1.2
68191	TPSA	0
9964	Defined_Atom_Stereo_Count	0
524645	Rotatable_Bond_Count	2
12500872	Molecular_Weight	100.16
57721	Rotatable_Bond_Count	13
5898	Defined_Bond_Stereo_Count	0
5362451	Defined_Bond_Stereo_Count	0
20913	Undefined_Atom_Stereo_Count	0
477	Hydrogen_Bond_Donor_Count	10
5241	Non-hydrogen_Atom_Count	19
146256	Undefined_Atom_Stereo_Count	1
53315110	Non-hydrogen_Atom_Count	18
21031	Rotatable_Bond_Count	0
12814873	Hydrogen_Bond_Acceptor_Count	5
3802528	Mono_Isotopic_Weight	624.171497
123248674	Structure_Complexity	60.7
135398645	Molecular_Weight	457.4
92753	Hydrogen_Bond_Acceptor_Count	22
71309671	Hydrogen_Bond_Acceptor_Count	6
93189	Exact_Mass	178.135765193
77922	TPSA	52.3
29083	Undefined_Bond_Stereo_Count	0
82191	Defined_Atom_Stereo_Count	0
12984	Hydrogen_Bond_Acceptor_Count	0
71459166	Rotatable_Bond_Count	4
480785	Exact_Mass	424.18858861
93706	XLogP3-AA	15.5
132274074	Non-hydrogen_Atom_Count	115
13526	Exact_Mass	230.02002368
57486971	Exact_Mass	109.089149355
18212	Exact_Mass	197.12766012
181674	Rotatable_Bond_Count	1
589692	Defined_Atom_Stereo_Count	0
77589	TPSA	57.5
18713388	Isotope_Atom_Count	0
37059	Undefined_Atom_Stereo_Count	2
5361848	Hydrogen_Bond_Acceptor_Count	10
5311360	XLogP3	5.9
9013	TPSA	64.4
129236	Molecular_Weight	285.75
87139265	Rotatable_Bond_Count	2
85976378	Undefined_Atom_Stereo_Count	2
25027363	Mono_Isotopic_Weight	504.33856457
89089	Structure_Complexity	325
21979976	Rotatable_Bond_Count	1
12056760	Molecular_Weight	418.28
5462077	Isotope_Atom_Count	0
135446965	Non-hydrogen_Atom_Count	33
53317110	Non-hydrogen_Atom_Count	19
9420	Defined_Atom_Stereo_Count	0
4659392	Structure_Complexity	426
59799570	Hydrogen_Bond_Donor_Count	3
21019405	Non-hydrogen_Atom_Count	8
534552	Non-hydrogen_Atom_Count	16
12571	Structure_Complexity	86.9
75355757	Isotope_Atom_Count	0
54311720	Isotope_Atom_Count	0
129600765	Rotatable_Bond_Count	4
24916897	Defined_Atom_Stereo_Count	4
644020	Rotatable_Bond_Count	0
4008	Undefined_Bond_Stereo_Count	0
81237	Undefined_Atom_Stereo_Count	0
2762863	Molecular_Weight	111.12
44338843	XLogP3-AA	2.9
7471	Exact_Mass	135.104799419
44629653	Exact_Mass	166.123189134
90877284	XLogP3-AA	2.8
138107566	Exact_Mass	416.32904526
11229455	Structure_Complexity	101
1565	Structure_Complexity	308
20003	Defined_Atom_Stereo_Count	0
12892785	Structure_Complexity	101
92162	Covalent_Unit_Count	1
10950142	Undefined_Bond_Stereo_Count	0
20056950	Covalent_Unit_Count	1
6999016	Tautomer_Count	1
18730041	XLogP3-AA	2.9
128882	Total_Formal_Charge	0
41530	Defined_Bond_Stereo_Count	0
11862	Hydrogen_Bond_Donor_Count	1
15079262	Hydrogen_Bond_Acceptor_Count	3
6619879	Covalent_Unit_Count	1
53950495	Molecular_Weight	116.16
719704	Hydrogen_Bond_Acceptor_Count	3
34794	Covalent_Unit_Count	2
20691	Hydrogen_Bond_Acceptor_Count	1
154101	Hydrogen_Bond_Acceptor_Count	3
22833307	Hydrogen_Bond_Donor_Count	0
53346592	Tautomer_Count	1
15981450	Hydrogen_Bond_Donor_Count	2
75903	Molecular_Weight	330.3
12774755	Hydrogen_Bond_Donor_Count	1
5069	Defined_Bond_Stereo_Count	0
72049	Non-hydrogen_Atom_Count	35
667	Molecular_Weight	866.9
54321	XLogP3-AA	6.6
79244	Total_Formal_Charge	0
447994	Non-hydrogen_Atom_Count	30
21075956	Defined_Atom_Stereo_Count	1
641496	Rotatable_Bond_Count	0
8442	Undefined_Bond_Stereo_Count	0
22602664	Defined_Bond_Stereo_Count	0
447076	Molecular_Weight	395.5
154790040	Covalent_Unit_Count	1
2367	Rotatable_Bond_Count	4
15940170	Exact_Mass	474.17390455
70637	Non-hydrogen_Atom_Count	12
6539286	XLogP3-AA	3.7
7594	Molecular_Weight	211.26
11006	Defined_Bond_Stereo_Count	0
271792	Total_Formal_Charge	0
22574	Defined_Atom_Stereo_Count	0
75320	Structure_Complexity	176
133662562	Non-hydrogen_Atom_Count	12
21769	Isotope_Atom_Count	0
1203	Hydrogen_Bond_Donor_Count	5
441333	Defined_Atom_Stereo_Count	0
625230	Undefined_Bond_Stereo_Count	0
131700865	Hydrogen_Bond_Donor_Count	2
10931233	Mono_Isotopic_Weight	1197.20932
160157	Molecular_Weight	205.64
12187	Hydrogen_Bond_Acceptor_Count	1
23688976	Defined_Bond_Stereo_Count	0
49866022	Covalent_Unit_Count	1
6097043	Defined_Bond_Stereo_Count	0
90479422	Covalent_Unit_Count	1
184495	Molecular_Weight	295.3
10539198	Hydrogen_Bond_Donor_Count	4
529229	TPSA	49.7
10113978	Hydrogen_Bond_Acceptor_Count	8
137321858	Defined_Bond_Stereo_Count	0
47027	Hydrogen_Bond_Acceptor_Count	1
12452048	Covalent_Unit_Count	1
2733294	Hydrogen_Bond_Acceptor_Count	2
3080646	Hydrogen_Bond_Donor_Count	2
123600	Tautomer_Count	5
97597	Molecular_Weight	363.4
84041	Hydrogen_Bond_Donor_Count	1
13243	Mono_Isotopic_Weight	181.03750770
53237112	Undefined_Bond_Stereo_Count	0
2724126	Isotope_Atom_Count	0
23397	Non-hydrogen_Atom_Count	14
9472	Defined_Atom_Stereo_Count	0
81592	Hydrogen_Bond_Acceptor_Count	2
126456023	Defined_Bond_Stereo_Count	2
23182368	Defined_Atom_Stereo_Count	0
16129688	Exact_Mass	1619.71036639
33309	Isotope_Atom_Count	0
33344	Structure_Complexity	156
67564795	Undefined_Bond_Stereo_Count	0
9837124	Structure_Complexity	37.4
2733487	Undefined_Atom_Stereo_Count	0
25548	Hydrogen_Bond_Donor_Count	0
53856389	Defined_Atom_Stereo_Count	0
84063996	Structure_Complexity	68.9
12509714	Non-hydrogen_Atom_Count	7
4637	Hydrogen_Bond_Donor_Count	2
91399	Exact_Mass	460.30111643
5257909	Defined_Bond_Stereo_Count	0
817096	Covalent_Unit_Count	1
68437	Tautomer_Count	1
13570	Structure_Complexity	39.2
23663390	Total_Formal_Charge	0
8262	Non-hydrogen_Atom_Count	13
7647	Hydrogen_Bond_Donor_Count	0
8559	Defined_Bond_Stereo_Count	0
77372	Defined_Bond_Stereo_Count	0
9866250	Isotope_Atom_Count	0
151726	Mono_Isotopic_Weight	125.047678466
12544552	Rotatable_Bond_Count	3
59907918	Hydrogen_Bond_Acceptor_Count	11
414243	Defined_Atom_Stereo_Count	0
121750	TPSA	98.5
22967031	Molecular_Weight	115.17
20693611	Rotatable_Bond_Count	0
941651	Exact_Mass	443.17011952
122222714	Rotatable_Bond_Count	7
156693	Undefined_Atom_Stereo_Count	0
6992041	Exact_Mass	278.96977556
70688017	Defined_Bond_Stereo_Count	0
197856	Hydrogen_Bond_Acceptor_Count	6
8033	Exact_Mass	146.130679813
131057	Hydrogen_Bond_Donor_Count	4
22020761	TPSA	18.5
75987414	Defined_Bond_Stereo_Count	0
11321894	Covalent_Unit_Count	1
79067	Hydrogen_Bond_Donor_Count	2
725544	Isotope_Atom_Count	0
23488	TPSA	26
125127453	Rotatable_Bond_Count	3
137076	Non-hydrogen_Atom_Count	8
10964588	Hydrogen_Bond_Donor_Count	0
9765	Rotatable_Bond_Count	5
2724048	TPSA	49.4
198135	Undefined_Bond_Stereo_Count	0
52949464	Defined_Atom_Stereo_Count	1
9867605	Hydrogen_Bond_Donor_Count	2
3326	TPSA	26.8
99516	Undefined_Bond_Stereo_Count	0
12512794	Non-hydrogen_Atom_Count	7
68345	Covalent_Unit_Count	1
581676	Mono_Isotopic_Weight	289.16779360
38642	Hydrogen_Bond_Donor_Count	0
198061	Defined_Atom_Stereo_Count	0
14800	Total_Formal_Charge	1
118946372	Rotatable_Bond_Count	8
753	Hydrogen_Bond_Donor_Count	3
22627013	Undefined_Bond_Stereo_Count	0
35740	TPSA	170
15214552	Isotope_Atom_Count	0
136353	Molecular_Weight	86.09
21932698	Exact_Mass	186.161979940
101059324	Defined_Bond_Stereo_Count	0
77016	Non-hydrogen_Atom_Count	21
95640	Tautomer_Count	1
5473310	Defined_Atom_Stereo_Count	0
139070837	Non-hydrogen_Atom_Count	24
5321948	Non-hydrogen_Atom_Count	20
131632500	Defined_Bond_Stereo_Count	0
67214459	Isotope_Atom_Count	0
277767	Defined_Bond_Stereo_Count	0
5352624	Rotatable_Bond_Count	4
443046	Non-hydrogen_Atom_Count	31
5463	Defined_Atom_Stereo_Count	0
53787407	Structure_Complexity	65.1
83303	Exact_Mass	112.052429494
5287468	Defined_Bond_Stereo_Count	0
9259	Molecular_Weight	80.09
5702609	Non-hydrogen_Atom_Count	19
86761	Defined_Bond_Stereo_Count	0
16065257	Mono_Isotopic_Weight	428.15584919
1363	Defined_Bond_Stereo_Count	0
1550330	Defined_Bond_Stereo_Count	2
15047014	Rotatable_Bond_Count	1
129236	TPSA	93.5
53318409	Total_Formal_Charge	0
2997	Molecular_Weight	270.71
3589	XLogP3-AA	4.3
23674496	Rotatable_Bond_Count	6
11860	Undefined_Bond_Stereo_Count	0
3943	Hydrogen_Bond_Acceptor_Count	9
7532	Exact_Mass	172.01941529
129671450	Mono_Isotopic_Weight	71.037113783
12467556	Hydrogen_Bond_Acceptor_Count	3
68876	Molecular_Weight	395.9
460602	Molecular_Weight	495.6
74952	Defined_Atom_Stereo_Count	0
9834129	Non-hydrogen_Atom_Count	12
2566	Undefined_Bond_Stereo_Count	0
54889	Defined_Atom_Stereo_Count	3
4971	Isotope_Atom_Count	0
99486	Structure_Complexity	873
15559154	Total_Formal_Charge	0
19739476	Non-hydrogen_Atom_Count	7
66383	Covalent_Unit_Count	2
5353761	TPSA	26.3
42231	Undefined_Atom_Stereo_Count	0
53323075	XLogP3-AA	2.6
481696	Isotope_Atom_Count	0
18612333	Isotope_Atom_Count	0
9842127	XLogP3-AA	4.7
115011065	Isotope_Atom_Count	0
9956222	Molecular_Weight	467.5
28639	Tautomer_Count	1
9693	TPSA	10.2
71587637	XLogP3-AA	3.9
398652	Isotope_Atom_Count	0
91585	Undefined_Atom_Stereo_Count	1
70686983	Rotatable_Bond_Count	7
317679	Covalent_Unit_Count	1
12081	Isotope_Atom_Count	0
6669	Tautomer_Count	2
545698	Isotope_Atom_Count	0
90827926	TPSA	9.2
88674536	Total_Formal_Charge	0
11771234	Hydrogen_Bond_Donor_Count	2
31716	Defined_Atom_Stereo_Count	0
11274968	Total_Formal_Charge	0
25245437	Covalent_Unit_Count	1
134479	Defined_Bond_Stereo_Count	0
9554	Isotope_Atom_Count	0
4106	Undefined_Bond_Stereo_Count	0
137278	Rotatable_Bond_Count	0
63996	Structure_Complexity	469
10772	Mono_Isotopic_Weight	165.042593085
14535399	Undefined_Atom_Stereo_Count	1
44426760	Defined_Bond_Stereo_Count	0
2274	Undefined_Atom_Stereo_Count	2
33938	Mono_Isotopic_Weight	212.120115130
8566	Molecular_Weight	809.1
133620	TPSA	78.8
13521831	XLogP3-AA	0.8
6040	Mono_Isotopic_Weight	233.141578849
129010082	Undefined_Atom_Stereo_Count	1
87216	Hydrogen_Bond_Acceptor_Count	8
8080	Isotope_Atom_Count	0
21537133	Mono_Isotopic_Weight	116.047344113
77881	Exact_Mass	238.75296
18717626	Structure_Complexity	50
122449120	Hydrogen_Bond_Acceptor_Count	2
56955070	Hydrogen_Bond_Donor_Count	1
28503	XLogP3	3.9
12539503	Rotatable_Bond_Count	3
69957602	Hydrogen_Bond_Donor_Count	1
59144	Structure_Complexity	207
57384039	Defined_Bond_Stereo_Count	0
3351	Rotatable_Bond_Count	5
22456671	Total_Formal_Charge	0
524409	Hydrogen_Bond_Donor_Count	0
34870	Covalent_Unit_Count	1
22978371	Undefined_Bond_Stereo_Count	0
323188	Covalent_Unit_Count	1
13203	Non-hydrogen_Atom_Count	8
22673292	Exact_Mass	106.062994177
69663	Hydrogen_Bond_Acceptor_Count	2
333942	TPSA	91.8
2585	Defined_Atom_Stereo_Count	0
4931	Defined_Bond_Stereo_Count	0
91166722	Total_Formal_Charge	0
87847445	Structure_Complexity	120
47676	Isotope_Atom_Count	0
286827	Defined_Atom_Stereo_Count	0
559072	Hydrogen_Bond_Donor_Count	0
198212	Total_Formal_Charge	0
11194308	Structure_Complexity	72.9
6364548	Total_Formal_Charge	0
61503	Covalent_Unit_Count	1
13465027	Structure_Complexity	72.9
22630	Hydrogen_Bond_Acceptor_Count	2
60201425	Isotope_Atom_Count	0
28429	Total_Formal_Charge	0
78704	Covalent_Unit_Count	2
129695690	Total_Formal_Charge	0
11752	Non-hydrogen_Atom_Count	8
67805120	Hydrogen_Bond_Acceptor_Count	0
91348407	Covalent_Unit_Count	1
5801	Tautomer_Count	7
5323606	Structure_Complexity	102
10665	Undefined_Bond_Stereo_Count	0
7163	Undefined_Atom_Stereo_Count	0
84621	Covalent_Unit_Count	1
23430	Defined_Atom_Stereo_Count	0
6779	Defined_Atom_Stereo_Count	0
59772	Undefined_Atom_Stereo_Count	0
61960	Molecular_Weight	374.6
57004451	Exact_Mass	114.068079557
564751	Undefined_Bond_Stereo_Count	0
159	Defined_Bond_Stereo_Count	0
123969077	Structure_Complexity	90.6
5169496	Non-hydrogen_Atom_Count	11
5284535	Tautomer_Count	9
94865125	Total_Formal_Charge	0
4438527	Defined_Atom_Stereo_Count	0
145640699	Hydrogen_Bond_Acceptor_Count	2
5367854	Total_Formal_Charge	0
16219	Molecular_Weight	283.5
687034	Covalent_Unit_Count	1
22082840	Undefined_Bond_Stereo_Count	0
537396	Undefined_Atom_Stereo_Count	1
5596	Covalent_Unit_Count	1
97337	Isotope_Atom_Count	0
14388559	Defined_Bond_Stereo_Count	0
164685	Exact_Mass	493.98641756
21718278	Mono_Isotopic_Weight	111.079647300
66558664	Non-hydrogen_Atom_Count	42
19777659	Covalent_Unit_Count	1
492767	Total_Formal_Charge	0
21122483	Structure_Complexity	176
90165975	Structure_Complexity	382
22507733	Covalent_Unit_Count	1
12313849	Rotatable_Bond_Count	0
6993950	Isotope_Atom_Count	0
26133	Structure_Complexity	817
20137	Structure_Complexity	72.1
25272022	Undefined_Atom_Stereo_Count	0
10061651	Non-hydrogen_Atom_Count	17
6595	Defined_Atom_Stereo_Count	0
1740	Molecular_Weight	187.08
441374	Molecular_Weight	582.6
4126474	Undefined_Atom_Stereo_Count	0
67075257	Defined_Atom_Stereo_Count	0
9168	XLogP3	8.2
377339	Total_Formal_Charge	0
86306373	TPSA	103
6437379	Undefined_Atom_Stereo_Count	0
12425308	Exact_Mass	116.047344113
101641111	Undefined_Atom_Stereo_Count	0
40523471	Molecular_Weight	347.4
121586	Molecular_Weight	290.11
128882	Structure_Complexity	794
73977860	TPSA	33
54120990	Undefined_Atom_Stereo_Count	0
2733257	Molecular_Weight	139.58
32243	Covalent_Unit_Count	1
54602348	Hydrogen_Bond_Acceptor_Count	2
3086686	TPSA	77.2
6918303	Defined_Atom_Stereo_Count	2
10214	Undefined_Bond_Stereo_Count	0
6247	Structure_Complexity	206
3153	Covalent_Unit_Count	1
927	Exact_Mass	543.07675980
55289794	Rotatable_Bond_Count	2
34260	XLogP3-AA	6.9
58247512	Covalent_Unit_Count	1
10532	Hydrogen_Bond_Acceptor_Count	4
54014389	Defined_Atom_Stereo_Count	0
155903755	Non-hydrogen_Atom_Count	128
130554629	Undefined_Bond_Stereo_Count	0
10197622	Exact_Mass	87.068413911
15013749	Molecular_Weight	545.7
15062870	Molecular_Weight	112.13
12673316	Covalent_Unit_Count	1
35020890	Covalent_Unit_Count	1
8292	Rotatable_Bond_Count	7
46878493	XLogP3-AA	0.6
23083536	Mono_Isotopic_Weight	110.109550447
12673086	Defined_Atom_Stereo_Count	0
6451144	Tautomer_Count	1
13462	Defined_Bond_Stereo_Count	0
60196418	XLogP3-AA	2.9
47289	Undefined_Bond_Stereo_Count	0
54712709	Defined_Atom_Stereo_Count	2
12648279	Hydrogen_Bond_Donor_Count	0
99748	Defined_Atom_Stereo_Count	0
100925187	Isotope_Atom_Count	0
21253562	Tautomer_Count	1
1971	Isotope_Atom_Count	0
78858	Structure_Complexity	199
533933	TPSA	78.4
155032	Mono_Isotopic_Weight	407.0562682
20823386	Covalent_Unit_Count	1
89424182	Undefined_Atom_Stereo_Count	3
11075477	Defined_Atom_Stereo_Count	0
24884255	Non-hydrogen_Atom_Count	22
112553	Exact_Mass	168.115029749
286157	Non-hydrogen_Atom_Count	19
7804	Undefined_Atom_Stereo_Count	0
10034579	Total_Formal_Charge	0
9743	Exact_Mass	112.032442941
85742	Non-hydrogen_Atom_Count	32
101008927	Exact_Mass	275.188529040
10772946	Hydrogen_Bond_Donor_Count	0
18622352	XLogP3-AA	0.3
5233032	Hydrogen_Bond_Acceptor_Count	0
12200	Molecular_Weight	182.09
3083671	Non-hydrogen_Atom_Count	19
16683093	Structure_Complexity	335
25076512	Molecular_Weight	1634.8
4615	XLogP3-AA	4.1
94834	Total_Formal_Charge	0
67548	Rotatable_Bond_Count	10
15415	Undefined_Atom_Stereo_Count	1
71815	Rotatable_Bond_Count	2
15222	Total_Formal_Charge	0
23668002	Defined_Bond_Stereo_Count	0
91	Non-hydrogen_Atom_Count	12
60374	Rotatable_Bond_Count	3
15677233	Total_Formal_Charge	0
11416126	Hydrogen_Bond_Donor_Count	1
5360315	Rotatable_Bond_Count	0
9642	Mono_Isotopic_Weight	494.21160968
4523766	Exact_Mass	466.111476
25102847	Undefined_Bond_Stereo_Count	0
245	Rotatable_Bond_Count	5
20590622	Defined_Bond_Stereo_Count	0
6858	Hydrogen_Bond_Donor_Count	0
29215	Structure_Complexity	316
90708518	Defined_Bond_Stereo_Count	0
73958	Exact_Mass	110.073164938
22779	Isotope_Atom_Count	0
6438028	Tautomer_Count	1
59022304	Isotope_Atom_Count	0
65790	Rotatable_Bond_Count	4
77611871	Non-hydrogen_Atom_Count	8
55284178	Exact_Mass	114.042927438
68741938	Total_Formal_Charge	0
85026	Total_Formal_Charge	1
710762	Hydrogen_Bond_Acceptor_Count	3
31877	Isotope_Atom_Count	0
71587897	Non-hydrogen_Atom_Count	37
15566577	Covalent_Unit_Count	1
40467008	Mono_Isotopic_Weight	363.10146788
15767	Hydrogen_Bond_Donor_Count	0
17805735	Defined_Atom_Stereo_Count	0
11848	XLogP3-AA	0.4
7566539	Hydrogen_Bond_Acceptor_Count	11
71309128	Non-hydrogen_Atom_Count	12
2540	Non-hydrogen_Atom_Count	45
4650	Exact_Mass	108.021129366
11789150	Covalent_Unit_Count	1
21700	Exact_Mass	520.2227812
91347456	Undefined_Bond_Stereo_Count	0
66684	Structure_Complexity	383
3033673	Defined_Atom_Stereo_Count	0
88890027	Total_Formal_Charge	0
3030	XLogP3	2.2
65718	Undefined_Bond_Stereo_Count	0
12407	Rotatable_Bond_Count	23
165157	Defined_Bond_Stereo_Count	0
6420	Total_Formal_Charge	0
2159	Defined_Atom_Stereo_Count	0
76459	XLogP3	4.2
3611	Hydrogen_Bond_Donor_Count	1
92753	Undefined_Bond_Stereo_Count	0
33713	Total_Formal_Charge	0
678081	Structure_Complexity	365
3635	TPSA	77.9
10387485	Molecular_Weight	422.2
33778657	Undefined_Atom_Stereo_Count	0
76564	Hydrogen_Bond_Donor_Count	0
1923	Rotatable_Bond_Count	0
3085017	Isotope_Atom_Count	0
829795	Non-hydrogen_Atom_Count	16
94330	Undefined_Atom_Stereo_Count	0
1382043	Isotope_Atom_Count	0
13887	Rotatable_Bond_Count	1
16404350	Exact_Mass	1201.84136802
145151604	TPSA	56.2
61627	Defined_Atom_Stereo_Count	0
2545	Hydrogen_Bond_Acceptor_Count	4
7762	Hydrogen_Bond_Donor_Count	0
24214097	Total_Formal_Charge	0
145994598	Mono_Isotopic_Weight	8268.3514156
398638	Exact_Mass	333.15896025
60196271	Hydrogen_Bond_Acceptor_Count	16
18715492	Total_Formal_Charge	0
6800	Rotatable_Bond_Count	1
11867	Rotatable_Bond_Count	1
60595	Hydrogen_Bond_Donor_Count	0
12500939	Undefined_Atom_Stereo_Count	2
17473	Molecular_Weight	580.28
46936560	TPSA	44.4
19604274	Structure_Complexity	267
5282761	Isotope_Atom_Count	0
68647	TPSA	39.8
77992	Non-hydrogen_Atom_Count	18
91067785	Rotatable_Bond_Count	0
34520	Undefined_Bond_Stereo_Count	0
315165	Hydrogen_Bond_Donor_Count	1
86354	Exact_Mass	333.1607901
68012	Defined_Atom_Stereo_Count	0
542762	Hydrogen_Bond_Acceptor_Count	2
122669	Total_Formal_Charge	0
449107	Covalent_Unit_Count	1
216261	Tautomer_Count	4
17734	Covalent_Unit_Count	1
3539116	Defined_Atom_Stereo_Count	0
3032306	Defined_Bond_Stereo_Count	0
5312122	XLogP3-AA	4.5
91224654	Total_Formal_Charge	0
6400441	Isotope_Atom_Count	0
8946	Undefined_Atom_Stereo_Count	1
19352068	Structure_Complexity	45.8
71387	Defined_Atom_Stereo_Count	7
36606	Total_Formal_Charge	0
14481877	Covalent_Unit_Count	1
3306	TPSA	52.5
21706	Isotope_Atom_Count	0
7859	Structure_Complexity	38.5
2531445	Hydrogen_Bond_Acceptor_Count	6
8006	Hydrogen_Bond_Acceptor_Count	0
129769827	Exact_Mass	84.068748264
30006	Isotope_Atom_Count	0
21185116	Rotatable_Bond_Count	0
15277906	Hydrogen_Bond_Donor_Count	2
12313523	Exact_Mass	222.173213330
13432443	Isotope_Atom_Count	0
10909485	Non-hydrogen_Atom_Count	6
23649154	Isotope_Atom_Count	0
136255	Hydrogen_Bond_Acceptor_Count	3
44297456	Hydrogen_Bond_Acceptor_Count	9
37631	Mono_Isotopic_Weight	179.094628657
6321422	Hydrogen_Bond_Donor_Count	0
65533	Hydrogen_Bond_Donor_Count	6
60196353	Isotope_Atom_Count	0
24780	Exact_Mass	500.30708103
67948733	TPSA	98.1
188219	Hydrogen_Bond_Acceptor_Count	16
71508542	Covalent_Unit_Count	1
134688093	Isotope_Atom_Count	0
15627	TPSA	0
228131	Non-hydrogen_Atom_Count	12
5497171	Hydrogen_Bond_Donor_Count	4
12838	XLogP3-AA	0.8
11967617	Defined_Bond_Stereo_Count	0
626607	Defined_Bond_Stereo_Count	0
479503	Non-hydrogen_Atom_Count	21
24401	Mono_Isotopic_Weight	118.917702
135430945	Covalent_Unit_Count	2
12715	Defined_Atom_Stereo_Count	0
4279	Mono_Isotopic_Weight	344.352854710
21520336	Non-hydrogen_Atom_Count	21
45486168	Defined_Bond_Stereo_Count	0
88402732	Total_Formal_Charge	0
12362	Defined_Bond_Stereo_Count	0
67412	Hydrogen_Bond_Acceptor_Count	2
7057919	Total_Formal_Charge	0
404289	Hydrogen_Bond_Acceptor_Count	4
50922675	Total_Formal_Charge	0
232446	TPSA	40.5
3650	Structure_Complexity	183
22602645	Structure_Complexity	92.5
6869	Total_Formal_Charge	0
161765303	Isotope_Atom_Count	0
19017814	Hydrogen_Bond_Donor_Count	1
13653621	TPSA	81
53981464	Rotatable_Bond_Count	2
53565	Total_Formal_Charge	0
55290736	Molecular_Weight	97.16
6435836	Hydrogen_Bond_Acceptor_Count	8
248961	Molecular_Weight	98.15
1289	Mono_Isotopic_Weight	349.20015635
5037	Mono_Isotopic_Weight	245.152812238
6917959	Rotatable_Bond_Count	5
71755913	TPSA	53.2
129627537	Mono_Isotopic_Weight	1354.567399
12697736	Mono_Isotopic_Weight	102.068079557
67955	Undefined_Bond_Stereo_Count	0
6919101	Structure_Complexity	73.1
14410	Undefined_Bond_Stereo_Count	0
54568416	Mono_Isotopic_Weight	113.084063974
9903853	TPSA	67
54236977	Total_Formal_Charge	0
25077405	Mono_Isotopic_Weight	1321.63562577
102248370	Non-hydrogen_Atom_Count	23
4497	Undefined_Atom_Stereo_Count	1
1549991	Mono_Isotopic_Weight	100.088815002
5311066	Exact_Mass	416.21988874
36246	Defined_Bond_Stereo_Count	0
25715	Hydrogen_Bond_Acceptor_Count	9
228864	Hydrogen_Bond_Acceptor_Count	2
20449	Defined_Bond_Stereo_Count	0
5352624	XLogP3	4.8
91168430	TPSA	38.6
89317	Structure_Complexity	187
3016416	Total_Formal_Charge	0
12115801	Non-hydrogen_Atom_Count	8
13438401	Exact_Mass	112.052429494
11717831	Non-hydrogen_Atom_Count	27
71785	Mono_Isotopic_Weight	313.215412493
53850714	Total_Formal_Charge	0
73917	Undefined_Bond_Stereo_Count	0
34766	Structure_Complexity	199
5413034	Total_Formal_Charge	0
47445	Undefined_Bond_Stereo_Count	0
5487888	Covalent_Unit_Count	1
520148	XLogP3-AA	3.5
54887	Exact_Mass	384.19098865
69672	Isotope_Atom_Count	0
5284371	Hydrogen_Bond_Acceptor_Count	4
556209	Hydrogen_Bond_Donor_Count	1
9861	Rotatable_Bond_Count	17
36560	Non-hydrogen_Atom_Count	14
9954082	Defined_Bond_Stereo_Count	0
130515614	Molecular_Weight	110.15
6451257	XLogP3	0.9
19687	Undefined_Atom_Stereo_Count	0
11182588	Undefined_Atom_Stereo_Count	1
12242822	Mono_Isotopic_Weight	155.142041939
1688	Mono_Isotopic_Weight	318.0326684
6956	TPSA	86.2
91746625	Mono_Isotopic_Weight	386.264106985
5497171	TPSA	151
141738	Rotatable_Bond_Count	2
12570	Undefined_Atom_Stereo_Count	0
521863	Rotatable_Bond_Count	2
15967	Molecular_Weight	277.4
70377524	Defined_Atom_Stereo_Count	0
97637	Total_Formal_Charge	0
89926	Defined_Atom_Stereo_Count	0
529212	Isotope_Atom_Count	0
153805791	Hydrogen_Bond_Acceptor_Count	3
56841558	Molecular_Weight	1477.9
24978601	Undefined_Bond_Stereo_Count	0
16693	Defined_Bond_Stereo_Count	0
57179768	Undefined_Atom_Stereo_Count	0
59110799	Non-hydrogen_Atom_Count	24
81110	Non-hydrogen_Atom_Count	12
5013	Mono_Isotopic_Weight	227.142247555
28615	Defined_Atom_Stereo_Count	0
54102072	Molecular_Weight	106.13
11681588	Non-hydrogen_Atom_Count	25
898	Exact_Mass	301.05626809
2777229	Molecular_Weight	115.13
67615000	Undefined_Atom_Stereo_Count	1
45270588	Molecular_Weight	497.1
518760	Total_Formal_Charge	0
135444614	Hydrogen_Bond_Acceptor_Count	5
64515031	Undefined_Bond_Stereo_Count	0
12639	Rotatable_Bond_Count	2
1615208	Rotatable_Bond_Count	2
62695	Undefined_Bond_Stereo_Count	0
9929785	TPSA	78.4
86200	Undefined_Bond_Stereo_Count	0
154518370	Undefined_Atom_Stereo_Count	0
17940308	Covalent_Unit_Count	1
22015942	Covalent_Unit_Count	1
9740	Defined_Bond_Stereo_Count	0
6436732	Molecular_Weight	240.34
69845357	Undefined_Atom_Stereo_Count	1
77314	Hydrogen_Bond_Donor_Count	0
5702068	Non-hydrogen_Atom_Count	29
9504	Undefined_Bond_Stereo_Count	0
9949802	XLogP3-AA	4.8
197839	Defined_Atom_Stereo_Count	0
71335300	Molecular_Weight	110.15
129787588	Covalent_Unit_Count	1
88959077	Hydrogen_Bond_Acceptor_Count	2
547067	Undefined_Atom_Stereo_Count	1
23635314	Rotatable_Bond_Count	9
56665390	Molecular_Weight	418.5
68780878	Non-hydrogen_Atom_Count	30
135413497	Mono_Isotopic_Weight	264.98507
20666035	TPSA	34.1
20728	Exact_Mass	416.25627424
128549	Covalent_Unit_Count	1
14189996	Mono_Isotopic_Weight	232.0654927
7907	Defined_Atom_Stereo_Count	0
445643	Hydrogen_Bond_Donor_Count	3
49849523	Covalent_Unit_Count	1
80	Molecular_Weight	172.13
5322111	Isotope_Atom_Count	0
15983988	Non-hydrogen_Atom_Count	26
3081077	Exact_Mass	392.118897
19130	Undefined_Atom_Stereo_Count	0
11101	Rotatable_Bond_Count	1
32413	Hydrogen_Bond_Acceptor_Count	3
80045	XLogP3	1.9
13144653	XLogP3-AA	0.4
5080759	Mono_Isotopic_Weight	230.094294304
117933221	Rotatable_Bond_Count	0
688763	Isotope_Atom_Count	0
87201	Mono_Isotopic_Weight	223.12084340
7061	XLogP3	3.3
4369524	Non-hydrogen_Atom_Count	21
66711	Molecular_Weight	238.31
83486	Molecular_Weight	354.89
115817	Undefined_Bond_Stereo_Count	0
7177	Non-hydrogen_Atom_Count	20
13528	Mono_Isotopic_Weight	104.0028925
6456	Molecular_Weight	278.8
79051	Mono_Isotopic_Weight	116.094963011
347271	Mono_Isotopic_Weight	100.063662883
7144	Mono_Isotopic_Weight	138.068079557
1245	Covalent_Unit_Count	1
9164	Mono_Isotopic_Weight	278.109550447
448503	Hydrogen_Bond_Acceptor_Count	1
45120378	Mono_Isotopic_Weight	111.068413911
5321318	Hydrogen_Bond_Donor_Count	1
35405	Defined_Atom_Stereo_Count	0
707094	Covalent_Unit_Count	1
124707323	Hydrogen_Bond_Donor_Count	0
5282321	Hydrogen_Bond_Acceptor_Count	6
16722164	Total_Formal_Charge	0
11412777	Hydrogen_Bond_Donor_Count	0
31068	Mono_Isotopic_Weight	365.0585488
721938	Exact_Mass	299.01571
6438135	Structure_Complexity	1280
123554527	XLogP3-AA	1
3035235	Mono_Isotopic_Weight	341.18383758
6993466	TPSA	40.1
518455	Exact_Mass	113.07014524
24802025	Hydrogen_Bond_Acceptor_Count	11
156410	Total_Formal_Charge	0
72560	Defined_Bond_Stereo_Count	0
3011155	Undefined_Bond_Stereo_Count	0
11594966	Hydrogen_Bond_Acceptor_Count	3
162990684	Isotope_Atom_Count	0
23355	XLogP3	0
4290	Molecular_Weight	308.33
22615	Isotope_Atom_Count	0
101001097	Covalent_Unit_Count	1
3353976	Rotatable_Bond_Count	5
133017	Isotope_Atom_Count	0
548185	TPSA	55
98651	Mono_Isotopic_Weight	413.04128673
276123	Total_Formal_Charge	0
8661	Hydrogen_Bond_Donor_Count	2
11372	Rotatable_Bond_Count	0
91468	Hydrogen_Bond_Donor_Count	0
12729368	Undefined_Bond_Stereo_Count	0
17892	XLogP3-AA	4.6
656506	Isotope_Atom_Count	0
18628727	Hydrogen_Bond_Acceptor_Count	3
23010495	Undefined_Atom_Stereo_Count	4
23274061	Total_Formal_Charge	0
10127622	Hydrogen_Bond_Acceptor_Count	6
68129	Total_Formal_Charge	0
8509	Hydrogen_Bond_Acceptor_Count	2
146280151	Non-hydrogen_Atom_Count	8
853747	Exact_Mass	195.9595035
6777	Hydrogen_Bond_Acceptor_Count	4
14476155	Mono_Isotopic_Weight	324.14739250
3823887	Structure_Complexity	1700
31215	Exact_Mass	166.07588133
921599	Total_Formal_Charge	0
5327065	Total_Formal_Charge	0
16219464	Mono_Isotopic_Weight	527.23263824
54292409	Structure_Complexity	98.7
7923	Undefined_Atom_Stereo_Count	0
55062	Rotatable_Bond_Count	3
3488	Defined_Atom_Stereo_Count	0
11274980	TPSA	42.8
71312086	Structure_Complexity	432
12386878	Non-hydrogen_Atom_Count	6
88850	Defined_Bond_Stereo_Count	0
3034319	Defined_Bond_Stereo_Count	0
3009010	Rotatable_Bond_Count	12
107670	Isotope_Atom_Count	0
9053	TPSA	74.6
137784	XLogP3-AA	5.2
91465	Molecular_Weight	388.7
13035004	Defined_Bond_Stereo_Count	0
13200	Mono_Isotopic_Weight	108.057514874
21792546	Rotatable_Bond_Count	4
66509091	Mono_Isotopic_Weight	915.51914999
466	Exact_Mass	260.02971899
859	Isotope_Atom_Count	0
439051	Total_Formal_Charge	0
9948	Mono_Isotopic_Weight	196.088815002
42037	Undefined_Bond_Stereo_Count	0
53631439	Molecular_Weight	113.11
501728	Isotope_Atom_Count	0
49865972	Molecular_Weight	354.4
10645	Total_Formal_Charge	0
12508	Molecular_Weight	116.16
47547	Undefined_Atom_Stereo_Count	0
6623	Rotatable_Bond_Count	2
254454	Rotatable_Bond_Count	9
11865405	Non-hydrogen_Atom_Count	22
22033763	Defined_Atom_Stereo_Count	0
71681318	TPSA	69.7
15565709	Mono_Isotopic_Weight	406.06588
13813928	Total_Formal_Charge	0
12502855	Rotatable_Bond_Count	0
24779724	Defined_Bond_Stereo_Count	0
5284557	Covalent_Unit_Count	1
129320263	Defined_Bond_Stereo_Count	0
11539562	Mono_Isotopic_Weight	445.11618739
99338	Non-hydrogen_Atom_Count	6
8266	Undefined_Atom_Stereo_Count	4
21792545	Non-hydrogen_Atom_Count	17
18495	Defined_Bond_Stereo_Count	0
53627428	Undefined_Atom_Stereo_Count	0
71751934	Exact_Mass	327.202608250
7198	TPSA	52.6
65773	Defined_Bond_Stereo_Count	0
581676	Covalent_Unit_Count	1
57371080	Hydrogen_Bond_Donor_Count	0
11788284	Defined_Bond_Stereo_Count	0
9793926	Hydrogen_Bond_Donor_Count	1
7405	Non-hydrogen_Atom_Count	9
15383909	Hydrogen_Bond_Acceptor_Count	25
20003	Defined_Bond_Stereo_Count	0
165075	Undefined_Bond_Stereo_Count	0
437721	Isotope_Atom_Count	0
131443	Tautomer_Count	1
101906815	Hydrogen_Bond_Donor_Count	0
54602348	Rotatable_Bond_Count	0
24946104	Defined_Bond_Stereo_Count	0
94647	Non-hydrogen_Atom_Count	12
89479318	Rotatable_Bond_Count	0
457	Isotope_Atom_Count	0
123173	Mono_Isotopic_Weight	40.0313001276
661938	Non-hydrogen_Atom_Count	31
3085017	Tautomer_Count	1
12252	Structure_Complexity	47.2
762967	Hydrogen_Bond_Donor_Count	1
1800	Exact_Mass	161.082721304
14960	Structure_Complexity	1620
9491	Total_Formal_Charge	0
165295	TPSA	40.5
659064	Structure_Complexity	331
632	Tautomer_Count	1
4068533	Molecular_Weight	94.04
87886	Rotatable_Bond_Count	3
36486	Isotope_Atom_Count	0
25263480	Defined_Atom_Stereo_Count	1
11297956	Hydrogen_Bond_Acceptor_Count	2
5905	Structure_Complexity	386
9568628	Molecular_Weight	327.5
33838	Undefined_Bond_Stereo_Count	0
54309225	Non-hydrogen_Atom_Count	7
153373905	Hydrogen_Bond_Donor_Count	0
54583932	Defined_Atom_Stereo_Count	1
7054	Hydrogen_Bond_Donor_Count	1
6035	Structure_Complexity	386
66825	Exact_Mass	188.02556330
41536	Hydrogen_Bond_Acceptor_Count	4
11105655	Exact_Mass	159.9749636
8141	Undefined_Atom_Stereo_Count	0
66532	Covalent_Unit_Count	1
47765	Molecular_Weight	312.39
19083156	Total_Formal_Charge	0
13046623	TPSA	20.2
2447	Isotope_Atom_Count	0
4418048	XLogP3	1
10351178	Undefined_Atom_Stereo_Count	17
5280460	Molecular_Weight	192.17
619250	Non-hydrogen_Atom_Count	19
2914	Molecular_Weight	416.9
101297691	Defined_Bond_Stereo_Count	0
8135	Defined_Atom_Stereo_Count	0
13721	Undefined_Bond_Stereo_Count	0
36978	Total_Formal_Charge	0
556487	Defined_Bond_Stereo_Count	0
102213	Defined_Bond_Stereo_Count	0
54337282	Defined_Bond_Stereo_Count	0
124886	Hydrogen_Bond_Donor_Count	6
12004215	Tautomer_Count	1001
11876263	Hydrogen_Bond_Acceptor_Count	4
92444	Molecular_Weight	338.9
31863	Hydrogen_Bond_Acceptor_Count	25
58473795	Undefined_Bond_Stereo_Count	0
101191397	Undefined_Atom_Stereo_Count	1
642156	Undefined_Bond_Stereo_Count	0
5360696	Defined_Bond_Stereo_Count	0
522731	Hydrogen_Bond_Donor_Count	0
72732196	Total_Formal_Charge	0
86088606	Isotope_Atom_Count	0
129539	Hydrogen_Bond_Donor_Count	0
7921	Structure_Complexity	88.1
139	Covalent_Unit_Count	1
62669683	Isotope_Atom_Count	0
56955285	Hydrogen_Bond_Donor_Count	1
410906	Hydrogen_Bond_Acceptor_Count	8
139338	Defined_Bond_Stereo_Count	0
256411	Hydrogen_Bond_Donor_Count	2
83596	Hydrogen_Bond_Acceptor_Count	3
26613	Tautomer_Count	1
6369389	Undefined_Atom_Stereo_Count	0
25209	Isotope_Atom_Count	0
143255	Defined_Atom_Stereo_Count	0
56663315	Undefined_Atom_Stereo_Count	0
118984396	Covalent_Unit_Count	2
58014	Undefined_Atom_Stereo_Count	0
5353510	Non-hydrogen_Atom_Count	25
11630874	Mono_Isotopic_Weight	305.01580707
9842616	Undefined_Atom_Stereo_Count	2
11320921	Defined_Atom_Stereo_Count	0
83952	Hydrogen_Bond_Acceptor_Count	14
31249	Rotatable_Bond_Count	7
12621600	Exact_Mass	70.041864811
5354035	Hydrogen_Bond_Donor_Count	1
136585	Hydrogen_Bond_Acceptor_Count	0
10564696	Isotope_Atom_Count	0
23080870	Rotatable_Bond_Count	2
14714356	Undefined_Bond_Stereo_Count	0
54581630	Mono_Isotopic_Weight	254.05790880
7874	Defined_Atom_Stereo_Count	0
60155458	Isotope_Atom_Count	0
90235	Exact_Mass	239.0461543
15031772	Isotope_Atom_Count	0
545624	Isotope_Atom_Count	0
1133	Rotatable_Bond_Count	1
3086514	Tautomer_Count	1
24763202	Hydrogen_Bond_Acceptor_Count	4
91865076	TPSA	943
14982	XLogP3-AA	3.7
22644568	XLogP3-AA	3.6
117274708	Exact_Mass	111.032028402
6989253	Structure_Complexity	93.1
81364	Isotope_Atom_Count	0
68566969	TPSA	9.2
11100989	Hydrogen_Bond_Donor_Count	0
137018	XLogP3-AA	1.5
8512	TPSA	54.4
3842125	Isotope_Atom_Count	0
713	Rotatable_Bond_Count	0
10159191	Defined_Bond_Stereo_Count	0
85542	Total_Formal_Charge	0
107952	Rotatable_Bond_Count	11
11158091	Defined_Atom_Stereo_Count	8
5347	Undefined_Bond_Stereo_Count	1
519382	Isotope_Atom_Count	0
69828	Exact_Mass	57.057849228
144915389	Covalent_Unit_Count	1
10470290	Defined_Atom_Stereo_Count	0
53318411	Hydrogen_Bond_Acceptor_Count	4
71364	Mono_Isotopic_Weight	1303.66079514
8944	Mono_Isotopic_Weight	352.215078140
80873	Hydrogen_Bond_Donor_Count	4
10654192	Isotope_Atom_Count	0
124085867	Hydrogen_Bond_Donor_Count	0
12695798	Molecular_Weight	113.20
58438464	XLogP3-AA	4.4
2735001	Mono_Isotopic_Weight	172.07355886
68807700	Hydrogen_Bond_Donor_Count	2
6741	Undefined_Atom_Stereo_Count	0
90264	Tautomer_Count	5
90471068	Mono_Isotopic_Weight	376.20250208
135399748	Defined_Bond_Stereo_Count	0
138979	Hydrogen_Bond_Donor_Count	0
11000	Covalent_Unit_Count	1
10197657	Total_Formal_Charge	0
108147	Hydrogen_Bond_Donor_Count	8
43858	Defined_Bond_Stereo_Count	0
164551	Exact_Mass	288.05936535
93251	Hydrogen_Bond_Donor_Count	0
447043	Hydrogen_Bond_Acceptor_Count	14
439518	Tautomer_Count	8
157706	Hydrogen_Bond_Donor_Count	1
22037858	Non-hydrogen_Atom_Count	6
694743	Undefined_Bond_Stereo_Count	0
4412	Exact_Mass	743.07545344
56962313	Non-hydrogen_Atom_Count	33
27655	Undefined_Atom_Stereo_Count	1
8222	Exact_Mass	282.328651340
14050	TPSA	66.8
5513	Undefined_Atom_Stereo_Count	31
6769	Hydrogen_Bond_Donor_Count	1
2724123	XLogP3-AA	1.3
23427989	XLogP3-AA	9.1
10046374	Defined_Atom_Stereo_Count	0
2137	Undefined_Bond_Stereo_Count	0
642197	TPSA	0
6536825	TPSA	121
27024	Tautomer_Count	1
91	Hydrogen_Bond_Donor_Count	2
15752	Isotope_Atom_Count	0
9798	Rotatable_Bond_Count	0
178134	Rotatable_Bond_Count	4
23422065	XLogP3-AA	0.1
696	Undefined_Bond_Stereo_Count	0
667467	Mono_Isotopic_Weight	315.0848484
984355	Total_Formal_Charge	0
17179	Hydrogen_Bond_Acceptor_Count	3
44576048	Hydrogen_Bond_Donor_Count	2
163050680	Hydrogen_Bond_Acceptor_Count	5
10092649	Undefined_Atom_Stereo_Count	0
90657341	XLogP3	0.6
88534961	Defined_Atom_Stereo_Count	0
9841854	Undefined_Atom_Stereo_Count	0
5288499	Covalent_Unit_Count	1
656635	Hydrogen_Bond_Donor_Count	4
66561	Tautomer_Count	1
57392963	Hydrogen_Bond_Donor_Count	2
11105495	Non-hydrogen_Atom_Count	7
183811	Non-hydrogen_Atom_Count	32
5329047	Non-hydrogen_Atom_Count	29
10975415	Structure_Complexity	88.1
100427	TPSA	61.4
73946427	Rotatable_Bond_Count	6
57517	Isotope_Atom_Count	0
129679806	Undefined_Bond_Stereo_Count	0
54681623	XLogP3-AA	2.7
20583864	Non-hydrogen_Atom_Count	8
197490	Defined_Bond_Stereo_Count	0
71584162	Total_Formal_Charge	0
68891	Hydrogen_Bond_Donor_Count	0
10497540	XLogP3-AA	0.7
20100130	Exact_Mass	257.05104977
53346495	Undefined_Bond_Stereo_Count	0
8133	Undefined_Atom_Stereo_Count	0
249414	Covalent_Unit_Count	1
59398673	Covalent_Unit_Count	1
22157549	Hydrogen_Bond_Donor_Count	0
24867454	TPSA	95.6
521863	Total_Formal_Charge	0
53917786	Covalent_Unit_Count	1
987917	Exact_Mass	379.88706
3267139	Rotatable_Bond_Count	6
60096125	TPSA	35.3
53881088	Mono_Isotopic_Weight	111.032028402
148546849	Defined_Bond_Stereo_Count	0
7826	Total_Formal_Charge	0
18430414	Covalent_Unit_Count	1
12541465	Isotope_Atom_Count	0
208902	Defined_Atom_Stereo_Count	1
439243	Rotatable_Bond_Count	12
12636246	Structure_Complexity	72.5
57438703	Undefined_Atom_Stereo_Count	0
87220078	Undefined_Bond_Stereo_Count	0
12901	Hydrogen_Bond_Acceptor_Count	6
5792	Undefined_Bond_Stereo_Count	0
10873438	Molecular_Weight	416.6
24794350	Rotatable_Bond_Count	3
24973796	Exact_Mass	99.079647300
12564	TPSA	0
6917656	Rotatable_Bond_Count	2
90865	Hydrogen_Bond_Acceptor_Count	2
12732	Molecular_Weight	82.14
150175	Total_Formal_Charge	0
92043424	Structure_Complexity	3290
135911835	Hydrogen_Bond_Donor_Count	1
11548000	TPSA	24.9
135403646	Defined_Atom_Stereo_Count	0
135761165	TPSA	215
1201546	Mono_Isotopic_Weight	132.96560607
43247500	TPSA	27
91753565	Molecular_Weight	204.35
16752772	Defined_Atom_Stereo_Count	0
142994149	Molecular_Weight	98.10
7819	XLogP3	2.2
71946	XLogP3-AA	2.5
265810	Defined_Atom_Stereo_Count	0
11819049	Hydrogen_Bond_Donor_Count	1
449293	Isotope_Atom_Count	0
42470	TPSA	29.5
29179	Defined_Atom_Stereo_Count	0
11253	Hydrogen_Bond_Donor_Count	0
135419182	Covalent_Unit_Count	1
94222	TPSA	52.3
8698	Defined_Atom_Stereo_Count	0
55276371	Rotatable_Bond_Count	0
584	Undefined_Atom_Stereo_Count	1
16760627	Molecular_Weight	570.6
81080	Exact_Mass	254.15180918
19067998	Undefined_Bond_Stereo_Count	0
6917733	Rotatable_Bond_Count	14
12031	Total_Formal_Charge	0
57190391	Non-hydrogen_Atom_Count	6
71449007	Mono_Isotopic_Weight	1914.8077146
6708685	Defined_Atom_Stereo_Count	2
922	Defined_Bond_Stereo_Count	0
25116186	Hydrogen_Bond_Donor_Count	3
6371716	Defined_Atom_Stereo_Count	0
89374436	Mono_Isotopic_Weight	110.036779430
34154	Isotope_Atom_Count	0
83814964	Undefined_Bond_Stereo_Count	0
51030896	Defined_Atom_Stereo_Count	1
6539005	Structure_Complexity	458
85802	Molecular_Weight	749.6
5370611	Tautomer_Count	3
849	Exact_Mass	129.078978594
62510	Tautomer_Count	1
62413	TPSA	6.5
16217634	Molecular_Weight	204.35
97697	Tautomer_Count	1
6114	Hydrogen_Bond_Donor_Count	0
21024469	Rotatable_Bond_Count	0
9837419	Defined_Bond_Stereo_Count	0
135013065	TPSA	31.2
398661	Exact_Mass	291.18344366
5377791	Hydrogen_Bond_Acceptor_Count	4
138040	Mono_Isotopic_Weight	71.086075351
59502	Defined_Atom_Stereo_Count	0
24635	Molecular_Weight	366.22
523224	Rotatable_Bond_Count	0
5367460	Mono_Isotopic_Weight	306.255880323
259331	Exact_Mass	439.1680992
15567019	Isotope_Atom_Count	0
16665	Structure_Complexity	48
23533634	Hydrogen_Bond_Donor_Count	1
12939	Undefined_Bond_Stereo_Count	0
129673373	Undefined_Bond_Stereo_Count	0
118984450	Undefined_Atom_Stereo_Count	0
23643935	Hydrogen_Bond_Donor_Count	4
90547	Mono_Isotopic_Weight	188.0352552
197465	Undefined_Bond_Stereo_Count	0
9547222	Exact_Mass	270.161979940
54203587	Total_Formal_Charge	0
30959	Rotatable_Bond_Count	7
6419536	TPSA	50.2
14866914	Hydrogen_Bond_Acceptor_Count	3
20350152	Isotope_Atom_Count	0
147614	XLogP3-AA	1.9
9954082	Undefined_Atom_Stereo_Count	0
2408	Hydrogen_Bond_Donor_Count	1
1264	Structure_Complexity	784
300385	XLogP3-AA	3.2
2735122	Molecular_Weight	84.116
16414	Mono_Isotopic_Weight	334.0906621
98055	Isotope_Atom_Count	0
71455277	Non-hydrogen_Atom_Count	35
87478594	TPSA	49.3
7472	Rotatable_Bond_Count	1
54150248	Isotope_Atom_Count	0
11957696	Undefined_Bond_Stereo_Count	0
44368	Non-hydrogen_Atom_Count	21
32940	XLogP3-AA	1.3
28523	Hydrogen_Bond_Acceptor_Count	22
13223	Mono_Isotopic_Weight	164.047344113
134693946	Defined_Atom_Stereo_Count	11
129858308	XLogP3-AA	0.9
54582822	Total_Formal_Charge	0
54580	Hydrogen_Bond_Donor_Count	1
454647	Total_Formal_Charge	0
117188816	XLogP3-AA	0.3
154361546	Molecular_Weight	101.15
20350152	XLogP3-AA	0.6
9950094	Hydrogen_Bond_Donor_Count	1
129885959	Hydrogen_Bond_Donor_Count	6
65093	XLogP3-AA	2.6
33360	Hydrogen_Bond_Donor_Count	0
4011971	Defined_Atom_Stereo_Count	0
2772687	Molecular_Weight	315.16
123404946	TPSA	23.8
16760153	Defined_Bond_Stereo_Count	0
197127	Total_Formal_Charge	0
16679	Defined_Bond_Stereo_Count	0
13974331	Non-hydrogen_Atom_Count	8
86876	Non-hydrogen_Atom_Count	12
957500	Total_Formal_Charge	0
5325710	Molecular_Weight	97.12
15741634	Exact_Mass	101.120449483
123388382	Molecular_Weight	98.15
3165	Molecular_Weight	319.14
22718913	Hydrogen_Bond_Donor_Count	0
78225491	TPSA	75.2
452498	TPSA	143
87592747	XLogP3-AA	0.6
5284382	Tautomer_Count	1
36513	Total_Formal_Charge	0
72276	Total_Formal_Charge	0
70682214	XLogP3-AA	1.3
11169	Exact_Mass	296.07516538
6454737	Isotope_Atom_Count	0
131752808	Hydrogen_Bond_Donor_Count	0
55	Mono_Isotopic_Weight	654.53758147
125440	Mono_Isotopic_Weight	225.078978594
65923	XLogP3-AA	2.7
8501	Isotope_Atom_Count	0
56843898	Exact_Mass	418.013115
57403932	Total_Formal_Charge	0
50142	Molecular_Weight	294.5
5352974	Non-hydrogen_Atom_Count	13
11789150	Exact_Mass	109.052763847
69507	Rotatable_Bond_Count	7
13925935	Isotope_Atom_Count	0
13408391	Structure_Complexity	314
644109	Defined_Atom_Stereo_Count	5
15228410	Structure_Complexity	96.7
16736529	Defined_Bond_Stereo_Count	0
129893562	Rotatable_Bond_Count	26
101375997	Hydrogen_Bond_Donor_Count	13
184321	TPSA	3
58621611	Total_Formal_Charge	0
26041	Exact_Mass	315.931862
43708	Total_Formal_Charge	0
6321225	Non-hydrogen_Atom_Count	52
12594	Total_Formal_Charge	0
5497163	Isotope_Atom_Count	0
13662	Hydrogen_Bond_Acceptor_Count	2
39650	Total_Formal_Charge	0
1149	Non-hydrogen_Atom_Count	48
10943	Molecular_Weight	147.00
57397462	Defined_Bond_Stereo_Count	0
161664	Structure_Complexity	411
135532293	TPSA	106
657238	Exact_Mass	402.20423867
2129427	Non-hydrogen_Atom_Count	23
45791267	Rotatable_Bond_Count	2
129638548	Total_Formal_Charge	0
29878	Total_Formal_Charge	0
23666456	Non-hydrogen_Atom_Count	7
6537503	Defined_Atom_Stereo_Count	0
27430	Hydrogen_Bond_Donor_Count	0
12754038	Isotope_Atom_Count	0
71306478	TPSA	172
67278	Hydrogen_Bond_Donor_Count	1
67516	Tautomer_Count	2
444021	Isotope_Atom_Count	0
13867125	Molecular_Weight	288.4
141282199	Undefined_Atom_Stereo_Count	2
48011	Tautomer_Count	6
266934	Undefined_Bond_Stereo_Count	0
134587348	Undefined_Atom_Stereo_Count	0
11510567	Total_Formal_Charge	0
109198	Structure_Complexity	445
16134490	Hydrogen_Bond_Acceptor_Count	16
123347340	Hydrogen_Bond_Donor_Count	0
3037	Rotatable_Bond_Count	2
42337	Tautomer_Count	2
70682213	XLogP3-AA	1.4
559740	Molecular_Weight	129.24
73670	Undefined_Bond_Stereo_Count	0
130659	Rotatable_Bond_Count	8
6356	Total_Formal_Charge	0
16219010	Molecular_Weight	385.8
137148307	Exact_Mass	231.01574069
174782	Molecular_Weight	847.5
68195	Hydrogen_Bond_Donor_Count	2
87096	Undefined_Atom_Stereo_Count	0
4906599	Undefined_Bond_Stereo_Count	0
9799	Covalent_Unit_Count	1
65513	Total_Formal_Charge	0
625661	Structure_Complexity	384
6962	Tautomer_Count	1
542420	TPSA	38
14281432	Rotatable_Bond_Count	1
10031812	Exact_Mass	620.33089573
5281052	Defined_Bond_Stereo_Count	1
117846020	Isotope_Atom_Count	0
79146	Tautomer_Count	1
10442928	Undefined_Bond_Stereo_Count	0
69667	Hydrogen_Bond_Acceptor_Count	0
6427770	Undefined_Bond_Stereo_Count	0
6908	Undefined_Atom_Stereo_Count	0
86510	Covalent_Unit_Count	1
53486288	Undefined_Atom_Stereo_Count	1
59896759	Mono_Isotopic_Weight	225.0449137
51375035	Covalent_Unit_Count	1
8418	XLogP3	4.4
123133978	Defined_Atom_Stereo_Count	8
12315	Exact_Mass	73.089149355
92268	Rotatable_Bond_Count	0
9797055	Total_Formal_Charge	0
3911	Isotope_Atom_Count	0
53384597	Total_Formal_Charge	0
129654479	Exact_Mass	84.021129366
14809442	Isotope_Atom_Count	0
93089	Defined_Atom_Stereo_Count	0
3086685	Total_Formal_Charge	0
1232	Rotatable_Bond_Count	0
129794341	XLogP3-AA	0.1
135071	Exact_Mass	322.15452557
19159	Defined_Atom_Stereo_Count	0
94599	Defined_Bond_Stereo_Count	0
129627923	Non-hydrogen_Atom_Count	17
979919	Non-hydrogen_Atom_Count	24
69359	Rotatable_Bond_Count	2
68944676	Defined_Bond_Stereo_Count	0
6695	Mono_Isotopic_Weight	443.23346786
162681	Hydrogen_Bond_Acceptor_Count	5
71027	Molecular_Weight	208.25
73174	Non-hydrogen_Atom_Count	17
8581	Tautomer_Count	414
6505	Rotatable_Bond_Count	19
12228440	Rotatable_Bond_Count	3
12740455	Covalent_Unit_Count	1
44134719	Non-hydrogen_Atom_Count	15
53001	Hydrogen_Bond_Donor_Count	1
91114160	Undefined_Bond_Stereo_Count	0
4808	XLogP3-AA	7.4
47510	Mono_Isotopic_Weight	220.13241115
136060671	Exact_Mass	181.121512110
55993	Total_Formal_Charge	0
12589332	Isotope_Atom_Count	0
154517172	TPSA	3
230351	Rotatable_Bond_Count	0
152643	Hydrogen_Bond_Donor_Count	1
2733526	Structure_Complexity	463
68647	Hydrogen_Bond_Acceptor_Count	2
481709	Exact_Mass	300.0739936
20666035	Undefined_Bond_Stereo_Count	0
5289320	Mono_Isotopic_Weight	387.17289623
14720269	Tautomer_Count	1
3951	Undefined_Bond_Stereo_Count	0
98017	Total_Formal_Charge	0
82505	TPSA	40.9
53316418	Exact_Mass	384.99109039
543038	TPSA	26.3
10308710	Non-hydrogen_Atom_Count	20
817623	Molecular_Weight	312.4
9955820	Defined_Atom_Stereo_Count	0
46207586	Undefined_Bond_Stereo_Count	0
97959	Non-hydrogen_Atom_Count	9
6439447	Mono_Isotopic_Weight	640.20885023
2310	Mono_Isotopic_Weight	155.094628657
538736	Total_Formal_Charge	0
77378	Defined_Bond_Stereo_Count	0
13493719	Structure_Complexity	45.3
5388977	Structure_Complexity	585
6710780	Hydrogen_Bond_Donor_Count	3
5484736	Molecular_Weight	389.4
36613	TPSA	18.5
26470417	Isotope_Atom_Count	0
440274	Undefined_Atom_Stereo_Count	0
25352	TPSA	91.6
402037	Isotope_Atom_Count	0
168131	Defined_Atom_Stereo_Count	0
121207425	Total_Formal_Charge	0
13529	TPSA	20.2
17531	Undefined_Atom_Stereo_Count	0
641773	Undefined_Bond_Stereo_Count	0
169573	Rotatable_Bond_Count	3
4260354	Isotope_Atom_Count	0
537445	Defined_Atom_Stereo_Count	0
90206	Mono_Isotopic_Weight	294.20423867
4698	XLogP3-AA	3.6
825877	Undefined_Bond_Stereo_Count	0
6539	Exact_Mass	250.16978172
77262	Covalent_Unit_Count	1
5371531	Tautomer_Count	5
23914	Covalent_Unit_Count	1
285033	Isotope_Atom_Count	0
57341282	Hydrogen_Bond_Acceptor_Count	15
44392167	Molecular_Weight	519.7
16213546	Hydrogen_Bond_Acceptor_Count	6
3032307	Defined_Bond_Stereo_Count	0
107947	Total_Formal_Charge	0
229851	Hydrogen_Bond_Acceptor_Count	5
99748	Undefined_Atom_Stereo_Count	0
5460044	Total_Formal_Charge	0
143047391	Molecular_Weight	87.12
18506394	Total_Formal_Charge	0
170944	Undefined_Atom_Stereo_Count	0
74839	Non-hydrogen_Atom_Count	15
49217	Hydrogen_Bond_Acceptor_Count	4
11316094	Molecular_Weight	419.5
644131	Covalent_Unit_Count	1
88423	Exact_Mass	163.110947427
6621	Undefined_Atom_Stereo_Count	0
19820834	Mono_Isotopic_Weight	101.047678466
60835	XLogP3-AA	4.3
5984	Isotope_Atom_Count	0
70754	Total_Formal_Charge	0
24901210	Undefined_Bond_Stereo_Count	0
12560918	Mono_Isotopic_Weight	100.052429494
165675	Undefined_Atom_Stereo_Count	0
5273621	Structure_Complexity	371
23278715	Exact_Mass	620.35923573
15347	Defined_Bond_Stereo_Count	0
51951	Isotope_Atom_Count	0
439196	Rotatable_Bond_Count	3
4896	Defined_Atom_Stereo_Count	0
3816071	Mono_Isotopic_Weight	286.93329724
6392641	Structure_Complexity	697
19094	Structure_Complexity	179
1712010	Total_Formal_Charge	0
411051	Hydrogen_Bond_Acceptor_Count	2
70685868	Isotope_Atom_Count	0
91768	Hydrogen_Bond_Acceptor_Count	8
89921642	Hydrogen_Bond_Acceptor_Count	15
2039	Tautomer_Count	1
4630	Structure_Complexity	293
12599600	Defined_Atom_Stereo_Count	0
21441185	Defined_Atom_Stereo_Count	0
890	Undefined_Bond_Stereo_Count	0
157455	Isotope_Atom_Count	0
134694008	Rotatable_Bond_Count	14
4274588	Hydrogen_Bond_Acceptor_Count	4
114681	Rotatable_Bond_Count	1
15439	Isotope_Atom_Count	0
131632347	Covalent_Unit_Count	1
42254	Exact_Mass	481.16964407
479930	Undefined_Atom_Stereo_Count	1
93131	Isotope_Atom_Count	0
117217480	Mono_Isotopic_Weight	114.042927438
75005	Non-hydrogen_Atom_Count	10
10430040	Isotope_Atom_Count	0
129800133	Total_Formal_Charge	0
159739	Covalent_Unit_Count	5
3086157	Hydrogen_Bond_Donor_Count	1
73537	Defined_Atom_Stereo_Count	2
24197462	TPSA	76.6
158182	Hydrogen_Bond_Donor_Count	1
9390	Defined_Bond_Stereo_Count	0
37270	Mono_Isotopic_Weight	421.779623
2167092	Non-hydrogen_Atom_Count	23
58513815	Structure_Complexity	70.1
1346	TPSA	24.5
220861	Defined_Bond_Stereo_Count	0
46926350	Defined_Atom_Stereo_Count	1
71713950	Isotope_Atom_Count	0
885569	Isotope_Atom_Count	0
12435	Defined_Bond_Stereo_Count	0
135398655	Molecular_Weight	589.3
3872	Hydrogen_Bond_Acceptor_Count	11
24946103	XLogP3-AA	4.4
9808654	Structure_Complexity	783
123976	Undefined_Bond_Stereo_Count	0
19847	XLogP3-AA	0.2
87410	Rotatable_Bond_Count	8
100984821	Hydrogen_Bond_Donor_Count	5
25132953	Rotatable_Bond_Count	4
28425	Molecular_Weight	249.3
11503417	Mono_Isotopic_Weight	454.33077660
126280	Undefined_Atom_Stereo_Count	0
5282229	TPSA	101
50633	Total_Formal_Charge	0
23238195	Mono_Isotopic_Weight	255.13448209
409438	Hydrogen_Bond_Donor_Count	1
19843	Exact_Mass	210.136827821
92163	Total_Formal_Charge	0
142464198	Molecular_Weight	112.17
17753851	XLogP3-AA	3.4
44134632	Tautomer_Count	1
68712	Exact_Mass	180.126263138
129630422	Hydrogen_Bond_Acceptor_Count	22
21670825	Defined_Atom_Stereo_Count	5
125353406	Covalent_Unit_Count	1
129638074	Non-hydrogen_Atom_Count	31
13087266	XLogP3-AA	1.5
134767951	Undefined_Bond_Stereo_Count	0
5746387	Structure_Complexity	418
84647614	Structure_Complexity	53.7
67643801	Structure_Complexity	84.2
10589377	Mono_Isotopic_Weight	287.18120410
10215	Hydrogen_Bond_Donor_Count	2
118705485	Undefined_Atom_Stereo_Count	1
9554198	Covalent_Unit_Count	1
67151	Mono_Isotopic_Weight	174.136827821
227	Structure_Complexity	136
71007	Rotatable_Bond_Count	1
453915	Rotatable_Bond_Count	1
1110	TPSA	74.6
11710986	Non-hydrogen_Atom_Count	30
3033017	Tautomer_Count	3
15951484	Undefined_Atom_Stereo_Count	1
273577	Rotatable_Bond_Count	3
135410875	Non-hydrogen_Atom_Count	31
25181472	Undefined_Bond_Stereo_Count	0
9012	Covalent_Unit_Count	1
93131	Tautomer_Count	1
2131	Defined_Atom_Stereo_Count	0
139035087	Defined_Atom_Stereo_Count	0
76548	Exact_Mass	164.131348519
15599	Isotope_Atom_Count	0
86965	Exact_Mass	165.078978594
25271901	Undefined_Bond_Stereo_Count	0
20387237	Hydrogen_Bond_Acceptor_Count	1
81183	Hydrogen_Bond_Acceptor_Count	1
11700183	Hydrogen_Bond_Donor_Count	5
18126	XLogP3	3
13253262	TPSA	29.6
164946899	Hydrogen_Bond_Donor_Count	3
18527351	Undefined_Bond_Stereo_Count	0
90722224	Covalent_Unit_Count	1
2576	Structure_Complexity	281
6435415	Total_Formal_Charge	0
135426867	Mono_Isotopic_Weight	165.06505986
102518	Hydrogen_Bond_Donor_Count	2
39752	TPSA	66.1
5320867	Mono_Isotopic_Weight	324.183778013
4627	XLogP3-AA	1.7
155774	Total_Formal_Charge	0
3332	Undefined_Atom_Stereo_Count	0
31209	Structure_Complexity	199
6441265	Mono_Isotopic_Weight	951.53172079
135406870	XLogP3-AA	0.9
398578	Exact_Mass	343.1582033
118984404	Hydrogen_Bond_Acceptor_Count	6
163722493	Isotope_Atom_Count	0
23535	Defined_Bond_Stereo_Count	0
22897807	Hydrogen_Bond_Donor_Count	0
3333	Covalent_Unit_Count	1
5311429	Tautomer_Count	2
6079	Undefined_Bond_Stereo_Count	0
44129647	Rotatable_Bond_Count	4
13004	Defined_Atom_Stereo_Count	0
53895	TPSA	33.5
485083	Mono_Isotopic_Weight	98.084398327
37243	Hydrogen_Bond_Acceptor_Count	1
6607	Isotope_Atom_Count	0
681	Molecular_Weight	153.18
67849	Isotope_Atom_Count	0
21749233	Covalent_Unit_Count	1
135554980	Hydrogen_Bond_Acceptor_Count	4
519	Exact_Mass	258.01406892
39	XLogP3-AA	0.6
68880	Rotatable_Bond_Count	7
101417753	TPSA	43.4
9813985	Structure_Complexity	327
54445182	Undefined_Atom_Stereo_Count	3
263608	Molecular_Weight	161.20
134032	Isotope_Atom_Count	0
71457147	Isotope_Atom_Count	0
61718	Hydrogen_Bond_Donor_Count	0
149208291	Structure_Complexity	96.4
133083907	TPSA	70
135465079	Mono_Isotopic_Weight	194.105527694
5192	Undefined_Bond_Stereo_Count	0
4767	Covalent_Unit_Count	1
18469536	TPSA	177
14417887	Defined_Atom_Stereo_Count	0
528407	Covalent_Unit_Count	1
154474735	Hydrogen_Bond_Donor_Count	0
123962351	TPSA	0
135391139	Molecular_Weight	785.9
222	Undefined_Bond_Stereo_Count	0
62949	Exact_Mass	268.11063033
51030054	Non-hydrogen_Atom_Count	30
67214459	Defined_Atom_Stereo_Count	0
25067411	Isotope_Atom_Count	1
10491069	Defined_Bond_Stereo_Count	0
535623	Exact_Mass	86.073164938
134694358	Isotope_Atom_Count	0
10434	Covalent_Unit_Count	1
22889103	Non-hydrogen_Atom_Count	7
102402986	Defined_Atom_Stereo_Count	0
813505	TPSA	91.3
9961469	Exact_Mass	674.07629
54429344	Undefined_Bond_Stereo_Count	0
126624267	Defined_Atom_Stereo_Count	1
476	Hydrogen_Bond_Acceptor_Count	7
66201	Mono_Isotopic_Weight	98.036779430
98148766	Total_Formal_Charge	0
68059	Undefined_Atom_Stereo_Count	0
19991465	TPSA	67.5
10568280	XLogP3-AA	2
22033763	Defined_Bond_Stereo_Count	0
5709	Total_Formal_Charge	0
69341756	Non-hydrogen_Atom_Count	8
9847241	Covalent_Unit_Count	2
14899	Rotatable_Bond_Count	10
60196340	XLogP3-AA	1.8
44570851	TPSA	86.5
22833341	Mono_Isotopic_Weight	554.016873
14282994	Hydrogen_Bond_Donor_Count	1
4268635	Defined_Bond_Stereo_Count	0
14698	Hydrogen_Bond_Donor_Count	2
44630251	Defined_Bond_Stereo_Count	0
512984	Exact_Mass	248.00780523
101534	Hydrogen_Bond_Donor_Count	2
51371732	Undefined_Atom_Stereo_Count	0
11954389	Structure_Complexity	899
71234	Mono_Isotopic_Weight	284.12732577
115011065	Defined_Atom_Stereo_Count	0
133687604	Mono_Isotopic_Weight	408.1703517
22038	Defined_Atom_Stereo_Count	0
398652	Defined_Atom_Stereo_Count	0
74889155	Hydrogen_Bond_Donor_Count	1
17719	TPSA	58.9
77756	Structure_Complexity	179
4468	Exact_Mass	1268.0156085
23667634	Defined_Atom_Stereo_Count	4
23549397	Exact_Mass	114.104465066
5374527	Hydrogen_Bond_Acceptor_Count	1
11604	TPSA	23.8
100930731	Hydrogen_Bond_Donor_Count	0
101605498	Non-hydrogen_Atom_Count	44
905275	Isotope_Atom_Count	0
17231	TPSA	46.5
11163893	Defined_Atom_Stereo_Count	0
32283	Hydrogen_Bond_Acceptor_Count	2
73877	TPSA	20.2
10071747	XLogP3-AA	3
52942478	Hydrogen_Bond_Acceptor_Count	6
89314354	Covalent_Unit_Count	1
256019	Mono_Isotopic_Weight	218.04129354
44590447	Covalent_Unit_Count	1
46936900	Total_Formal_Charge	0
98150	Undefined_Atom_Stereo_Count	1
12639	XLogP3-AA	0.3
85988	Hydrogen_Bond_Donor_Count	0
10004622	XLogP3-AA	5.9
12210217	XLogP3-AA	1.3
131842051	Defined_Atom_Stereo_Count	4
4369359	Defined_Bond_Stereo_Count	0
6426854	TPSA	66.4
94011387	Structure_Complexity	382
954	Defined_Atom_Stereo_Count	0
65833	Mono_Isotopic_Weight	246.173213330
7498	Structure_Complexity	55.4
75821	Molecular_Weight	162.18
66051	Undefined_Bond_Stereo_Count	0
37461	Hydrogen_Bond_Donor_Count	1
141738	Hydrogen_Bond_Acceptor_Count	0
7213679	Structure_Complexity	820
721947	Hydrogen_Bond_Donor_Count	0
91770	Non-hydrogen_Atom_Count	20
6144	Rotatable_Bond_Count	7
98043899	Undefined_Bond_Stereo_Count	0
145913182	Undefined_Bond_Stereo_Count	0
11179267	Undefined_Atom_Stereo_Count	1
46936995	Rotatable_Bond_Count	7
57644703	Isotope_Atom_Count	0
9889168	Structure_Complexity	252
11105310	Mono_Isotopic_Weight	92.026214747
51041	Undefined_Bond_Stereo_Count	0
11293303	Structure_Complexity	607
592645	Non-hydrogen_Atom_Count	12
22218878	Covalent_Unit_Count	1
10219396	Mono_Isotopic_Weight	107.037113783
25209	Exact_Mass	196.219100893
9903930	Defined_Bond_Stereo_Count	0
64142	Defined_Atom_Stereo_Count	5
66059	Hydrogen_Bond_Donor_Count	1
160765	Undefined_Atom_Stereo_Count	0
6479653	Defined_Bond_Stereo_Count	7
11405875	Hydrogen_Bond_Donor_Count	1
143399	XLogP3-AA	3
3185	TPSA	87.8
68527	Covalent_Unit_Count	1
21339024	Undefined_Atom_Stereo_Count	3
73707358	Isotope_Atom_Count	0
47544	TPSA	21.7
12504793	Exact_Mass	100.088815002
141836779	Mono_Isotopic_Weight	112.088815002
19004	Hydrogen_Bond_Acceptor_Count	4
21330	Covalent_Unit_Count	1
31738	Total_Formal_Charge	0
6240	Covalent_Unit_Count	2
158693	Undefined_Bond_Stereo_Count	0
635	Mono_Isotopic_Weight	214.02423968
7667	Tautomer_Count	1
8298	Exact_Mass	142.135765193
76848959	Defined_Atom_Stereo_Count	1
44454986	Non-hydrogen_Atom_Count	27
5311308	Undefined_Bond_Stereo_Count	0
137530132	Structure_Complexity	879
145520	Total_Formal_Charge	0
68490	Undefined_Atom_Stereo_Count	0
12488	Covalent_Unit_Count	1
137075	TPSA	15.8
4964	Isotope_Atom_Count	0
6140	Non-hydrogen_Atom_Count	12
64247	Undefined_Atom_Stereo_Count	0
57401865	Total_Formal_Charge	0
12028	Defined_Atom_Stereo_Count	0
453251	Defined_Atom_Stereo_Count	0
81577	Structure_Complexity	157
566069	Defined_Bond_Stereo_Count	0
56037	Hydrogen_Bond_Acceptor_Count	4
42985	Exact_Mass	495.33083616
89493263	Structure_Complexity	158
4928	Undefined_Atom_Stereo_Count	0
64914374	Mono_Isotopic_Weight	112.088815002
45358511	Molecular_Weight	620.6
21545139	Defined_Bond_Stereo_Count	0
170214	Non-hydrogen_Atom_Count	12
53316388	Undefined_Atom_Stereo_Count	0
163000376	Total_Formal_Charge	0
124655	Defined_Atom_Stereo_Count	0
10384666	Rotatable_Bond_Count	8
66811197	Defined_Atom_Stereo_Count	0
2044	Covalent_Unit_Count	1
13327309	Molecular_Weight	116.16
10290728	Hydrogen_Bond_Acceptor_Count	1
91585	XLogP3-AA	0.2
693946	Structure_Complexity	452
60936	Hydrogen_Bond_Donor_Count	2
9585	Hydrogen_Bond_Donor_Count	3
5378	Defined_Atom_Stereo_Count	0
109094	Hydrogen_Bond_Acceptor_Count	3
89805	Non-hydrogen_Atom_Count	12
87110828	Isotope_Atom_Count	0
44557636	Hydrogen_Bond_Donor_Count	0
25422	TPSA	13.1
136219231	XLogP3-AA	5
76857	Rotatable_Bond_Count	1
140196487	Molecular_Weight	109.13
11769095	Defined_Bond_Stereo_Count	0
65099	Rotatable_Bond_Count	1
72304	Exact_Mass	222.068079557
9802545	Rotatable_Bond_Count	4
1551246	Covalent_Unit_Count	1
44571147	Isotope_Atom_Count	0
749	Exact_Mass	434.23113938
54408458	Total_Formal_Charge	0
18414852	Isotope_Atom_Count	0
24533	Non-hydrogen_Atom_Count	2
11578610	Rotatable_Bond_Count	4
5770	Hydrogen_Bond_Acceptor_Count	10
656743	Rotatable_Bond_Count	3
42768	Hydrogen_Bond_Acceptor_Count	9
20487874	TPSA	0
447405	Structure_Complexity	534
44427236	Undefined_Bond_Stereo_Count	0
47491	Undefined_Bond_Stereo_Count	0
135423095	Covalent_Unit_Count	2
50993881	Hydrogen_Bond_Donor_Count	3
3036507	Defined_Atom_Stereo_Count	12
22047	Non-hydrogen_Atom_Count	23
69347980	Undefined_Atom_Stereo_Count	0
13081	Structure_Complexity	263
15166	Mono_Isotopic_Weight	156.151415257
136893	TPSA	18.5
15522	Undefined_Atom_Stereo_Count	2
154196048	Hydrogen_Bond_Acceptor_Count	2
5362119	Hydrogen_Bond_Acceptor_Count	7
3814	Isotope_Atom_Count	0
44097	Isotope_Atom_Count	0
24802109	Rotatable_Bond_Count	6
601880	Mono_Isotopic_Weight	180.04225873
69049742	Undefined_Atom_Stereo_Count	2
15559221	XLogP3-AA	2.7
5464263	Undefined_Bond_Stereo_Count	0
2325	XLogP3-AA	3.4
156580481	Defined_Bond_Stereo_Count	0
601439	Rotatable_Bond_Count	2
3153	Hydrogen_Bond_Acceptor_Count	3
13652129	Non-hydrogen_Atom_Count	3
10439034	Mono_Isotopic_Weight	632.26332572
63255	XLogP3	2.9
46936192	Isotope_Atom_Count	0
99923	Undefined_Atom_Stereo_Count	7
11114	Isotope_Atom_Count	0
153996	Non-hydrogen_Atom_Count	44
12475877	Undefined_Bond_Stereo_Count	0
894	Molecular_Weight	349.23
16003447	Molecular_Weight	286.29
44455014	Rotatable_Bond_Count	6
89332529	Hydrogen_Bond_Acceptor_Count	6
418296	Total_Formal_Charge	0
399594	TPSA	54.3
11655511	XLogP3-AA	2.8
60196386	Covalent_Unit_Count	2
163276613	Rotatable_Bond_Count	1
2754342	Mono_Isotopic_Weight	176.12348643
291730	Covalent_Unit_Count	1
638019	Mono_Isotopic_Weight	386.354866087
8969	Defined_Bond_Stereo_Count	0
599225	Defined_Bond_Stereo_Count	0
6419964	Hydrogen_Bond_Donor_Count	1
67277	Structure_Complexity	450
135398633	Molecular_Weight	523.18
46926350	TPSA	91.2
25217	Hydrogen_Bond_Donor_Count	0
16699	Structure_Complexity	150
11979741	Non-hydrogen_Atom_Count	101
201828	Exact_Mass	213.115364102
15129466	Non-hydrogen_Atom_Count	8
12739589	Defined_Atom_Stereo_Count	0
71311141	Mono_Isotopic_Weight	222.161979940
81346	Defined_Atom_Stereo_Count	0
437719	Isotope_Atom_Count	0
133967	XLogP3-AA	5.1
152199271	Hydrogen_Bond_Donor_Count	0
70693519	TPSA	80.4
643984	Hydrogen_Bond_Donor_Count	1
3949	Covalent_Unit_Count	1
44562492	Rotatable_Bond_Count	3
44475990	Covalent_Unit_Count	1
10387	Hydrogen_Bond_Acceptor_Count	2
133687604	Defined_Bond_Stereo_Count	0
5410	Mono_Isotopic_Weight	344.23514488
439215	Exact_Mass	194.04265265
16387	Total_Formal_Charge	0
165777539	Hydrogen_Bond_Donor_Count	0
29685	Isotope_Atom_Count	0
31877	Defined_Atom_Stereo_Count	0
67259543	XLogP3-AA	1.2
123804812	TPSA	0
88489585	Exact_Mass	118.062994177
5702293	Defined_Atom_Stereo_Count	0
6918388	Isotope_Atom_Count	0
15368893	Isotope_Atom_Count	0
67128140	Hydrogen_Bond_Acceptor_Count	4
54180192	Exact_Mass	85.089149355
71311204	Molecular_Weight	376.95
74944	Hydrogen_Bond_Donor_Count	0
56848	Non-hydrogen_Atom_Count	29
43424	Exact_Mass	409.1894101
444455	Undefined_Atom_Stereo_Count	0
45073621	Undefined_Bond_Stereo_Count	0
58031952	Covalent_Unit_Count	1
415628	Hydrogen_Bond_Acceptor_Count	2
16725726	Exact_Mass	425.21753775
5360970	Exact_Mass	369.23039385
71341351	Undefined_Bond_Stereo_Count	1
61082	Hydrogen_Bond_Donor_Count	0
24458	Total_Formal_Charge	0
12442892	Mono_Isotopic_Weight	534.22651085
521928	Molecular_Weight	330.5
1208	Structure_Complexity	280
4353	XLogP3-AA	0.1
66793	Covalent_Unit_Count	1
17109	Tautomer_Count	1
9916282	Rotatable_Bond_Count	12
131632429	Hydrogen_Bond_Acceptor_Count	12
4993	Hydrogen_Bond_Donor_Count	2
4712721	Hydrogen_Bond_Acceptor_Count	3
58364265	Covalent_Unit_Count	1
72200166	Rotatable_Bond_Count	12
34461	TPSA	67.6
82400	Hydrogen_Bond_Acceptor_Count	12
163600703	Molecular_Weight	113.16
80421	Molecular_Weight	84.12
349711	Undefined_Atom_Stereo_Count	0
165676	Molecular_Weight	944.1
11386	Isotope_Atom_Count	0
22613925	Covalent_Unit_Count	2
13349550	Total_Formal_Charge	0
1549018	Hydrogen_Bond_Acceptor_Count	1
37243	Isotope_Atom_Count	0
46878493	Molecular_Weight	112.04
9890250	Mono_Isotopic_Weight	455.1623268
11829391	Molecular_Weight	112.17
53992423	Hydrogen_Bond_Acceptor_Count	2
73376	Molecular_Weight	207.3
80283	Non-hydrogen_Atom_Count	7
59630744	XLogP3-AA	3.2
126977538	Covalent_Unit_Count	1
86278165	Exact_Mass	788.152102
163050679	Structure_Complexity	415
5355732	Undefined_Atom_Stereo_Count	0
31255	Defined_Atom_Stereo_Count	0
5364328	Molecular_Weight	79.10
11619076	Undefined_Atom_Stereo_Count	0
420	Defined_Bond_Stereo_Count	0
20814133	Undefined_Bond_Stereo_Count	0
59771	Undefined_Bond_Stereo_Count	0
26945	Undefined_Bond_Stereo_Count	0
78521	Hydrogen_Bond_Donor_Count	3
19596	Molecular_Weight	294.33
121938	Undefined_Bond_Stereo_Count	0
12353957	Structure_Complexity	84.2
903675	Rotatable_Bond_Count	4
91282244	XLogP3-AA	1
586156	XLogP3-AA	0.1
6632	Defined_Bond_Stereo_Count	0
40430269	Exact_Mass	345.18143228
413742	Total_Formal_Charge	0
70499	Exact_Mass	143.131014166
12599704	Exact_Mass	102.068079557
191841	Total_Formal_Charge	0
36967	Isotope_Atom_Count	0
9013	Covalent_Unit_Count	1
14764322	Defined_Bond_Stereo_Count	0
148197	Undefined_Bond_Stereo_Count	0
2713	XLogP3	0.1
8994	Exact_Mass	396.0643624
57392493	Exact_Mass	457.25294081
24450	Non-hydrogen_Atom_Count	7
22591	Defined_Atom_Stereo_Count	0
126961192	Undefined_Atom_Stereo_Count	0
12933274	Undefined_Bond_Stereo_Count	0
82789	Total_Formal_Charge	0
21784	Covalent_Unit_Count	3
23599502	Defined_Bond_Stereo_Count	0
5497105	Isotope_Atom_Count	0
70498808	Defined_Bond_Stereo_Count	0
123133975	Mono_Isotopic_Weight	813.45107043
11137239	Covalent_Unit_Count	1
136835	Structure_Complexity	84.2
5311505	Rotatable_Bond_Count	5
15561473	Non-hydrogen_Atom_Count	8
5153297	Hydrogen_Bond_Donor_Count	2
122384816	Rotatable_Bond_Count	24
393601	Structure_Complexity	778
147205698	Non-hydrogen_Atom_Count	7
23532162	Undefined_Atom_Stereo_Count	0
90730816	Covalent_Unit_Count	1
9961434	Rotatable_Bond_Count	27
11626560	Hydrogen_Bond_Acceptor_Count	6
12285863	TPSA	110
12830097	Isotope_Atom_Count	0
3037171	Covalent_Unit_Count	1
3814068	XLogP3-AA	2.4
5280880	Undefined_Atom_Stereo_Count	0
39859	Rotatable_Bond_Count	10
8784	Rotatable_Bond_Count	2
86705695	Isotope_Atom_Count	0
44148067	Isotope_Atom_Count	0
54173442	Undefined_Atom_Stereo_Count	0
54169147	XLogP3-AA	0.1
6947362	Covalent_Unit_Count	1
5107724	Structure_Complexity	206
31721	TPSA	35.2
9464	Molecular_Weight	203.21
6391	TPSA	0
24901140	Hydrogen_Bond_Donor_Count	4
22141508	Undefined_Bond_Stereo_Count	0
64049	Hydrogen_Bond_Acceptor_Count	3
10200813	Mono_Isotopic_Weight	397.14378429
366	Hydrogen_Bond_Donor_Count	0
5702279	Hydrogen_Bond_Acceptor_Count	18
857	Total_Formal_Charge	0
107908	Structure_Complexity	8
8386	Undefined_Bond_Stereo_Count	0
11953153	Structure_Complexity	746
145937	Non-hydrogen_Atom_Count	27
129627812	Total_Formal_Charge	0
94544	Covalent_Unit_Count	1
90235	TPSA	70.3
21651128	Defined_Atom_Stereo_Count	0
146157955	TPSA	241
3792	Covalent_Unit_Count	1
376375	Covalent_Unit_Count	1
59859430	Defined_Bond_Stereo_Count	0
9259	Exact_Mass	80.037448136
2843	Total_Formal_Charge	0
24762228	Defined_Atom_Stereo_Count	2
44359653	Exact_Mass	1264.59104382
4376677	Total_Formal_Charge	0
72200670	Isotope_Atom_Count	0
160692	Exact_Mass	251.094628657
20632752	Non-hydrogen_Atom_Count	7
61329	Rotatable_Bond_Count	3
70697366	XLogP3-AA	3.5
16214946	Structure_Complexity	759
6409841	Isotope_Atom_Count	0
9827982	Structure_Complexity	398
642110	Hydrogen_Bond_Donor_Count	1
165892084	Defined_Bond_Stereo_Count	0
42051894	Total_Formal_Charge	0
18196	Defined_Bond_Stereo_Count	0
70403801	Mono_Isotopic_Weight	228.05686342
91742	Hydrogen_Bond_Donor_Count	1
400182	Structure_Complexity	1330
133562458	Undefined_Atom_Stereo_Count	1
57303	Tautomer_Count	2
67277	Defined_Bond_Stereo_Count	0
101365708	Molecular_Weight	113.12
72286622	Isotope_Atom_Count	0
68682	Non-hydrogen_Atom_Count	38
5485220	Non-hydrogen_Atom_Count	30
3279	Undefined_Bond_Stereo_Count	0
4820	Non-hydrogen_Atom_Count	20
13083763	Rotatable_Bond_Count	1
126970904	Non-hydrogen_Atom_Count	8
12214112	Undefined_Bond_Stereo_Count	0
15122	Exact_Mass	123.9846556
19040543	Total_Formal_Charge	0
220175	Non-hydrogen_Atom_Count	14
72266	Exact_Mass	295.12805404
38875	Undefined_Bond_Stereo_Count	0
13603	Covalent_Unit_Count	1
91442	Tautomer_Count	1
130354549	Mono_Isotopic_Weight	100.063662883
129737769	Defined_Bond_Stereo_Count	0
699683	Hydrogen_Bond_Donor_Count	0
670359	TPSA	53.5
86170	Covalent_Unit_Count	1
3452818	Undefined_Bond_Stereo_Count	0
5311027	TPSA	89.8
20056755	Exact_Mass	342.11621151
57229116	Undefined_Bond_Stereo_Count	0
3045400	Hydrogen_Bond_Acceptor_Count	5
24977371	Molecular_Weight	112.17
87428	TPSA	27.7
10579	Defined_Bond_Stereo_Count	0
5610	Mono_Isotopic_Weight	137.084063974
454937	Undefined_Atom_Stereo_Count	1
132779642	Molecular_Weight	457.4
5881176	Mono_Isotopic_Weight	1062.1330477
448258	Hydrogen_Bond_Donor_Count	1
16218636	Exact_Mass	307.26401645
894278	Covalent_Unit_Count	1
123792659	Mono_Isotopic_Weight	110.109550447
5558	Covalent_Unit_Count	1
21875354	XLogP3-AA	4.4
57328467	Covalent_Unit_Count	1
14145	TPSA	74.3
12656387	XLogP3-AA	0
443210	Covalent_Unit_Count	1
21942990	XLogP3	0.2
118499237	Rotatable_Bond_Count	3
2752588	Hydrogen_Bond_Donor_Count	1
21893333	Covalent_Unit_Count	1
40703	Hydrogen_Bond_Donor_Count	0
3032325	Covalent_Unit_Count	1
4635	Defined_Atom_Stereo_Count	0
45051637	Molecular_Weight	278.5
53667465	XLogP3-AA	2.3
12428066	Exact_Mass	111.068413911
10384666	Hydrogen_Bond_Donor_Count	2
135459219	Undefined_Bond_Stereo_Count	0
33498	Hydrogen_Bond_Donor_Count	2
16682828	TPSA	26.3
125564	Mono_Isotopic_Weight	367.24237613
20623561	Undefined_Bond_Stereo_Count	0
12136798	Rotatable_Bond_Count	6
13490845	Total_Formal_Charge	0
123979022	Undefined_Bond_Stereo_Count	0
8425	XLogP3	4
65947	Mono_Isotopic_Weight	461.10568470
2051	Molecular_Weight	315.75
3082781	Hydrogen_Bond_Acceptor_Count	2
9818479	Mono_Isotopic_Weight	203.105862047
5147171	Hydrogen_Bond_Acceptor_Count	4
104845	Exact_Mass	332.23514488
110821	Hydrogen_Bond_Acceptor_Count	1
17903417	Rotatable_Bond_Count	13
7470	Covalent_Unit_Count	1
25077993	Isotope_Atom_Count	0
17920260	XLogP3-AA	1.5
5792	XLogP3	2.4
643833	Exact_Mass	95.9533555
62525	Mono_Isotopic_Weight	431.0002508
123298786	Isotope_Atom_Count	0
88533	Tautomer_Count	1
6436605	Molecular_Weight	326.2
11953153	Exact_Mass	489.14110016
10116556	Isotope_Atom_Count	0
10302451	Undefined_Atom_Stereo_Count	0
129680036	Rotatable_Bond_Count	1
21896570	Hydrogen_Bond_Acceptor_Count	2
68675439	Undefined_Bond_Stereo_Count	0
54445181	Isotope_Atom_Count	1
643544	Exact_Mass	203.192862891
26334	Isotope_Atom_Count	0
66536	Isotope_Atom_Count	0
8882	Defined_Atom_Stereo_Count	0
100957861	Covalent_Unit_Count	1
130128864	Rotatable_Bond_Count	0
21490219	Non-hydrogen_Atom_Count	7
31389	Rotatable_Bond_Count	0
5365125	XLogP3-AA	6.5
20793238	Rotatable_Bond_Count	1
235905	Tautomer_Count	1
19935256	Isotope_Atom_Count	0
54307121	Defined_Atom_Stereo_Count	0
1731	TPSA	40.5
3794	Defined_Bond_Stereo_Count	0
1277665	Molecular_Weight	99.13
126830	Molecular_Weight	226.31
59091406	Undefined_Bond_Stereo_Count	0
48207	Total_Formal_Charge	0
13126	Non-hydrogen_Atom_Count	30
98341	Tautomer_Count	4
10597	Defined_Atom_Stereo_Count	0
18377	Rotatable_Bond_Count	5
144739862	Covalent_Unit_Count	1
15773	Tautomer_Count	1
162461	Rotatable_Bond_Count	3
23675321	Total_Formal_Charge	0
54541930	Rotatable_Bond_Count	3
86017	Non-hydrogen_Atom_Count	16
135565082	Exact_Mass	380.11971542
4205685	Defined_Atom_Stereo_Count	0
119058385	Defined_Bond_Stereo_Count	0
121026	TPSA	55.1
13177208	Total_Formal_Charge	0
10892	Hydrogen_Bond_Donor_Count	0
28951068	Mono_Isotopic_Weight	111.032028402
139585898	Defined_Bond_Stereo_Count	3
7417	Covalent_Unit_Count	1
22615	Defined_Atom_Stereo_Count	0
90863152	Rotatable_Bond_Count	0
8164	TPSA	26.3
47750	Rotatable_Bond_Count	3
62904	Hydrogen_Bond_Donor_Count	0
21252133	Non-hydrogen_Atom_Count	8
706485	Defined_Bond_Stereo_Count	0
53635139	Total_Formal_Charge	0
2728	Defined_Bond_Stereo_Count	0
11332430	Mono_Isotopic_Weight	109.063997236
54585737	Total_Formal_Charge	0
123015	Exact_Mass	238.110613074
22591684	Covalent_Unit_Count	1
135398560	Defined_Bond_Stereo_Count	0
60751	Covalent_Unit_Count	1
19431	TPSA	209
21998683	Undefined_Bond_Stereo_Count	0
23284	Undefined_Atom_Stereo_Count	1
87452564	Rotatable_Bond_Count	3
74619	Total_Formal_Charge	0
101047267	Total_Formal_Charge	0
14911569	Total_Formal_Charge	0
12313523	Undefined_Bond_Stereo_Count	0
76092	TPSA	63.3
67488	Structure_Complexity	114
65646	Structure_Complexity	868
13529145	Hydrogen_Bond_Acceptor_Count	1
44563117	Defined_Bond_Stereo_Count	0
13082452	XLogP3-AA	1
71743736	Undefined_Atom_Stereo_Count	1
10286	Defined_Bond_Stereo_Count	0
68089	Molecular_Weight	291.3
66687596	Undefined_Atom_Stereo_Count	0
22320095	Isotope_Atom_Count	0
9915861	Covalent_Unit_Count	1
79919	Molecular_Weight	368.6
4354	Exact_Mass	260.94017
46203139	Hydrogen_Bond_Acceptor_Count	10
129744573	Molecular_Weight	111.10
88898	Isotope_Atom_Count	0
231040	Undefined_Bond_Stereo_Count	0
83091	Hydrogen_Bond_Donor_Count	0
20165534	Covalent_Unit_Count	1
5356544	Total_Formal_Charge	0
5246258	Molecular_Weight	108.16
123133923	Molecular_Weight	178.14
154689	Exact_Mass	285.19534575
9793723	Isotope_Atom_Count	0
66776828	Isotope_Atom_Count	0
6082	Defined_Bond_Stereo_Count	0
46917793	Undefined_Bond_Stereo_Count	0
825	Molecular_Weight	131.13
13601830	Defined_Atom_Stereo_Count	0
6994977	Rotatable_Bond_Count	7
6235	TPSA	43.2
23432895	Rotatable_Bond_Count	2
131750190	Structure_Complexity	1280
70683091	Mono_Isotopic_Weight	488.21475861
5359967	Mono_Isotopic_Weight	114.9038788
102678	Non-hydrogen_Atom_Count	38
20463	Isotope_Atom_Count	0
6004	Structure_Complexity	117
12359612	XLogP3-AA	1.7
40390	Rotatable_Bond_Count	3
220	Molecular_Weight	261.28
6670	XLogP3-AA	1.8
21859	Defined_Bond_Stereo_Count	0
72200110	Defined_Atom_Stereo_Count	0
23187765	Rotatable_Bond_Count	2
97341	Undefined_Atom_Stereo_Count	2
21441185	Defined_Bond_Stereo_Count	0
24752885	Molecular_Weight	270.36
16722358	Non-hydrogen_Atom_Count	17
6553	Hydrogen_Bond_Donor_Count	0
4178	Hydrogen_Bond_Acceptor_Count	2
164946899	Defined_Bond_Stereo_Count	1
138231	Non-hydrogen_Atom_Count	6
18368760	XLogP3-AA	0.4
12456033	Undefined_Atom_Stereo_Count	0
10509	Isotope_Atom_Count	0
52948174	Structure_Complexity	709
9298	Total_Formal_Charge	0
12248569	XLogP3-AA	0.9
58935140	Defined_Atom_Stereo_Count	0
5484	Isotope_Atom_Count	0
11604525	Undefined_Atom_Stereo_Count	0
9798098	Rotatable_Bond_Count	7
10796718	Exact_Mass	112.052429494
11266523	Hydrogen_Bond_Donor_Count	1
64017	Structure_Complexity	412
6918407	Rotatable_Bond_Count	12
21537113	TPSA	74.6
118701498	Hydrogen_Bond_Acceptor_Count	3
42227	Mono_Isotopic_Weight	469.29405673
30513	Molecular_Weight	259.29
547686	Molecular_Weight	117.15
87282052	Covalent_Unit_Count	1
24744154	Total_Formal_Charge	0
2282	Hydrogen_Bond_Acceptor_Count	9
25202562	Exact_Mass	357.958759
67273	Isotope_Atom_Count	0
88983603	Non-hydrogen_Atom_Count	7
65374	Rotatable_Bond_Count	5
51358375	XLogP3-AA	4
23681217	Non-hydrogen_Atom_Count	14
17414	Structure_Complexity	415
19876500	Isotope_Atom_Count	0
62582	Hydrogen_Bond_Acceptor_Count	0
8472	Molecular_Weight	124.08
8026	Hydrogen_Bond_Acceptor_Count	3
131634907	Isotope_Atom_Count	0
40399	Structure_Complexity	349
13297	Hydrogen_Bond_Donor_Count	1
24875236	Mono_Isotopic_Weight	363.14839556
13018787	TPSA	93
31217	Undefined_Bond_Stereo_Count	0
23663404	Exact_Mass	420.19126830
68030	Hydrogen_Bond_Donor_Count	0
2378	TPSA	17.8
70141017	Hydrogen_Bond_Acceptor_Count	1
251219	Exact_Mass	226.15689456
49866693	Covalent_Unit_Count	1
13117013	Undefined_Atom_Stereo_Count	0
176870	Covalent_Unit_Count	1
92838	Molecular_Weight	132.16
46214236	Structure_Complexity	1660
73433	Hydrogen_Bond_Donor_Count	2
83795	Molecular_Weight	128.17
70917	Mono_Isotopic_Weight	182.130679813
26041	Undefined_Bond_Stereo_Count	0
537396	XLogP3-AA	0
16197724	Tautomer_Count	986
673	Mono_Isotopic_Weight	103.063328530
85370	Structure_Complexity	166
92155	Total_Formal_Charge	0
78422631	Defined_Atom_Stereo_Count	0
18327244	Molecular_Weight	287.4
7670	Defined_Bond_Stereo_Count	0
102311438	Isotope_Atom_Count	0
9727	Mono_Isotopic_Weight	151.099714038
2752648	Mono_Isotopic_Weight	110.073164938
79254	Undefined_Atom_Stereo_Count	0
142106	Molecular_Weight	98.10
4107	Non-hydrogen_Atom_Count	17
87064200	Undefined_Atom_Stereo_Count	0
4686862	Undefined_Bond_Stereo_Count	0
58221868	Hydrogen_Bond_Donor_Count	1
3696	Non-hydrogen_Atom_Count	21
44395089	Non-hydrogen_Atom_Count	44
44814423	Rotatable_Bond_Count	6
15950	Defined_Bond_Stereo_Count	0
58265153	Molecular_Weight	180.16
387	Covalent_Unit_Count	1
85983	Exact_Mass	218.05790880
316797	Isotope_Atom_Count	0
134693629	Structure_Complexity	140
8627	Isotope_Atom_Count	0
140650857	Hydrogen_Bond_Donor_Count	1
129786694	Covalent_Unit_Count	1
115001	Undefined_Atom_Stereo_Count	0
9793714	Structure_Complexity	39.1
44563116	Hydrogen_Bond_Donor_Count	1
138335	Covalent_Unit_Count	1
6154	Exact_Mass	373.27809293
66727	Hydrogen_Bond_Acceptor_Count	3
213056	Mono_Isotopic_Weight	185.06880783
13201	Molecular_Weight	116.16
60478	Molecular_Weight	312.7
3743617	Defined_Atom_Stereo_Count	0
12431744	Isotope_Atom_Count	0
92822	Defined_Bond_Stereo_Count	0
137092	Hydrogen_Bond_Acceptor_Count	1
270624	Undefined_Bond_Stereo_Count	0
436542	XLogP3-AA	3.3
12744661	Hydrogen_Bond_Acceptor_Count	1
138471783	Defined_Bond_Stereo_Count	0
6443013	Defined_Bond_Stereo_Count	2
16686268	Total_Formal_Charge	0
10448938	Rotatable_Bond_Count	4
5386	Defined_Bond_Stereo_Count	0
14986	Tautomer_Count	9
192275	Defined_Bond_Stereo_Count	0
97725	Undefined_Bond_Stereo_Count	0
129860447	Defined_Bond_Stereo_Count	0
121235530	Structure_Complexity	7640
4577573	Defined_Atom_Stereo_Count	0
656732	Defined_Atom_Stereo_Count	0
5281575	Isotope_Atom_Count	0
67292089	Non-hydrogen_Atom_Count	35
43179	TPSA	20.2
232532	TPSA	17.1
442474	Tautomer_Count	1
257630	Total_Formal_Charge	0
70943	Hydrogen_Bond_Donor_Count	0
8225	Non-hydrogen_Atom_Count	28
275903	Hydrogen_Bond_Donor_Count	0
610682	Mono_Isotopic_Weight	210.115698455
147707442	Defined_Atom_Stereo_Count	10
54676537	Undefined_Atom_Stereo_Count	1
73707513	Mono_Isotopic_Weight	768.48932838
3916	Tautomer_Count	1
10357919	Hydrogen_Bond_Acceptor_Count	6
63985	Hydrogen_Bond_Donor_Count	1
6992028	Total_Formal_Charge	0
2733525	Structure_Complexity	690
86806	Defined_Bond_Stereo_Count	0
517320	Hydrogen_Bond_Acceptor_Count	6
73425700	TPSA	97.3
6457	Non-hydrogen_Atom_Count	20
13248582	Hydrogen_Bond_Donor_Count	0
75358112	Mono_Isotopic_Weight	405.25873385
2321	Non-hydrogen_Atom_Count	42
157684	Exact_Mass	825.3868268
289151	XLogP3-AA	5.1
174251	Non-hydrogen_Atom_Count	49
71412	Undefined_Bond_Stereo_Count	0
15909	Isotope_Atom_Count	0
3389	Isotope_Atom_Count	0
91418	Isotope_Atom_Count	0
20097868	Structure_Complexity	98.2
91438571	Molecular_Weight	105.14
29696	Undefined_Atom_Stereo_Count	0
16213698	TPSA	267
71900	Covalent_Unit_Count	1
54541930	Exact_Mass	115.063328530
6421522	Mono_Isotopic_Weight	216.126263138
52109	Mono_Isotopic_Weight	358.0963313
3174	Defined_Bond_Stereo_Count	0
83	Molecular_Weight	152.04
141315890	Undefined_Bond_Stereo_Count	0
141103237	Undefined_Atom_Stereo_Count	2
11673085	Covalent_Unit_Count	2
54581335	Isotope_Atom_Count	0
163050677	Exact_Mass	284.16237386
8742	Undefined_Atom_Stereo_Count	0
5966	Defined_Atom_Stereo_Count	0
9914412	Hydrogen_Bond_Acceptor_Count	8
12734569	Molecular_Weight	112.17
2783363	Isotope_Atom_Count	0
2807	Undefined_Bond_Stereo_Count	2
135398646	Isotope_Atom_Count	0
79323706	Undefined_Bond_Stereo_Count	0
14168316	TPSA	75.8
96132	Structure_Complexity	124
513	Molecular_Weight	206.15
16990	Undefined_Bond_Stereo_Count	0
12959020	Covalent_Unit_Count	1
17779	Mono_Isotopic_Weight	112.125200510
163921573	Rotatable_Bond_Count	3
70687386	Covalent_Unit_Count	1
12468309	XLogP3-AA	0.8
82728	Non-hydrogen_Atom_Count	11
53880	Covalent_Unit_Count	1
11807	Non-hydrogen_Atom_Count	6
67324	Rotatable_Bond_Count	2
18727537	Undefined_Bond_Stereo_Count	0
9862646	Undefined_Bond_Stereo_Count	0
71455485	Defined_Bond_Stereo_Count	0
31132	Total_Formal_Charge	0
11583971	Undefined_Bond_Stereo_Count	0
85538176	Defined_Atom_Stereo_Count	0
31072	Covalent_Unit_Count	1
71117	Hydrogen_Bond_Acceptor_Count	5
279305	Defined_Atom_Stereo_Count	0
40279	Undefined_Atom_Stereo_Count	0
27236	Defined_Bond_Stereo_Count	0
13789	Hydrogen_Bond_Acceptor_Count	3
11416	Hydrogen_Bond_Donor_Count	0
6450522	Undefined_Atom_Stereo_Count	1
70689385	Covalent_Unit_Count	1
69158971	Defined_Atom_Stereo_Count	0
66908	Defined_Bond_Stereo_Count	0
8461	Molecular_Weight	182.13
3306	Defined_Atom_Stereo_Count	0
137843	Structure_Complexity	157
19259	Total_Formal_Charge	0
16699	Isotope_Atom_Count	0
6971047	Total_Formal_Charge	0
715287	Exact_Mass	303.11538136
23279312	Undefined_Bond_Stereo_Count	0
522606	Mono_Isotopic_Weight	121.9382805
12885790	TPSA	37.4
135398701	Undefined_Bond_Stereo_Count	0
6918558	Covalent_Unit_Count	1
6325382	Covalent_Unit_Count	1
168354	Exact_Mass	134.094294304
26574	Molecular_Weight	58.81
3034756	Mono_Isotopic_Weight	344.17360725
71448984	Structure_Complexity	61.1
9707	Isotope_Atom_Count	0
57031203	XLogP3-AA	0.2
54084075	Rotatable_Bond_Count	4
5288319	Molecular_Weight	157.25
6426660	Hydrogen_Bond_Acceptor_Count	4
6918584	TPSA	995
18718236	Undefined_Bond_Stereo_Count	0
23707296	Defined_Atom_Stereo_Count	0
5493444	Mono_Isotopic_Weight	551.39343642
74098	Total_Formal_Charge	0
10689555	Isotope_Atom_Count	0
3073763	Structure_Complexity	221
6507255	Defined_Atom_Stereo_Count	1
5362119	Mono_Isotopic_Weight	405.22637110
124173720	Hydrogen_Bond_Acceptor_Count	8
4042	Undefined_Bond_Stereo_Count	0
5284584	Total_Formal_Charge	0
12797557	Total_Formal_Charge	0
24868320	Isotope_Atom_Count	0
65055	Isotope_Atom_Count	0
71463896	Defined_Bond_Stereo_Count	0
11370864	Non-hydrogen_Atom_Count	21
11073351	Hydrogen_Bond_Donor_Count	0
49342	Non-hydrogen_Atom_Count	16
68711	Rotatable_Bond_Count	14
277	Mono_Isotopic_Weight	61.016378338
15657508	Undefined_Bond_Stereo_Count	0
13576	XLogP3	3.6
18984521	Defined_Bond_Stereo_Count	0
63397	Tautomer_Count	1
62963	Structure_Complexity	1340
6857536	Rotatable_Bond_Count	0
4744464	XLogP3-AA	1.7
5358751	Defined_Bond_Stereo_Count	5
58166	Tautomer_Count	2
39860873	Isotope_Atom_Count	0
6096880	Rotatable_Bond_Count	7
9322	Defined_Bond_Stereo_Count	0
54331	Rotatable_Bond_Count	4
129317852	Isotope_Atom_Count	0
73415789	Exact_Mass	524.0784474
5365049	Rotatable_Bond_Count	6
21356643	Non-hydrogen_Atom_Count	32
54725318	Hydrogen_Bond_Acceptor_Count	7
102601163	Structure_Complexity	541
40652	Non-hydrogen_Atom_Count	25
50878565	Isotope_Atom_Count	0
9803788	XLogP3-AA	4.1
155713	Non-hydrogen_Atom_Count	16
6941	Rotatable_Bond_Count	1
14930392	Rotatable_Bond_Count	2
44571224	Hydrogen_Bond_Acceptor_Count	8
71762	Undefined_Atom_Stereo_Count	8
443948	Molecular_Weight	814.0
2218	Defined_Bond_Stereo_Count	0
7929	Rotatable_Bond_Count	0
89079153	Hydrogen_Bond_Donor_Count	0
11433190	Structure_Complexity	919
85753355	Hydrogen_Bond_Acceptor_Count	2
448513	XLogP3	0.4
10461263	Defined_Atom_Stereo_Count	0
5380876	Rotatable_Bond_Count	0
437289	Structure_Complexity	604
4583824	Exact_Mass	185.060254526
11171853	Mono_Isotopic_Weight	212.1107912
231040	Non-hydrogen_Atom_Count	14
117781134	Isotope_Atom_Count	0
124018515	Defined_Bond_Stereo_Count	0
129009964	Isotope_Atom_Count	0
154342062	Structure_Complexity	121
16132269	Undefined_Atom_Stereo_Count	0
417349	Isotope_Atom_Count	0
137699058	Undefined_Bond_Stereo_Count	0
10569	XLogP3-AA	4.8
4919	Hydrogen_Bond_Donor_Count	1
44571150	Defined_Bond_Stereo_Count	0
12266	TPSA	13.1
50491	Undefined_Bond_Stereo_Count	0
82650924	Undefined_Bond_Stereo_Count	0
701808	Defined_Atom_Stereo_Count	1
13608	Defined_Atom_Stereo_Count	0
1515	Tautomer_Count	1
9938326	Isotope_Atom_Count	0
134688154	Total_Formal_Charge	0
2772687	Non-hydrogen_Atom_Count	19
16727404	Rotatable_Bond_Count	4
866430	Rotatable_Bond_Count	3
25014810	Exact_Mass	277.13274550
158770620	XLogP3-AA	1.8
3923	Defined_Bond_Stereo_Count	0
6367080	Exact_Mass	406.14366705
3763	Isotope_Atom_Count	0
41574	Tautomer_Count	3
457035	Exact_Mass	309.11650692
4175	Isotope_Atom_Count	0
14494974	Non-hydrogen_Atom_Count	7
32336	Mono_Isotopic_Weight	430.24204178
123637651	Defined_Bond_Stereo_Count	0
45266540	Defined_Atom_Stereo_Count	5
153142415	Defined_Bond_Stereo_Count	0
825353	Total_Formal_Charge	0
57756	Isotope_Atom_Count	0
75614	Defined_Bond_Stereo_Count	0
25023856	Covalent_Unit_Count	1
22725651	Structure_Complexity	119
53954226	Covalent_Unit_Count	1
285106	Undefined_Bond_Stereo_Count	0
6027	Isotope_Atom_Count	0
33671	Hydrogen_Bond_Acceptor_Count	2
9908268	Undefined_Bond_Stereo_Count	0
34072	Mono_Isotopic_Weight	114.104465066
10197646	TPSA	49.6
447213	Total_Formal_Charge	0
76437	Exact_Mass	161.047678466
4473	Exact_Mass	480.21346069
123919	Rotatable_Bond_Count	0
159987	Hydrogen_Bond_Acceptor_Count	5
24096961	Molecular_Weight	324.4
447342	Molecular_Weight	499.6
101875160	Molecular_Weight	99.13
22609888	TPSA	83
44368	Mono_Isotopic_Weight	266.109550447
2714	Isotope_Atom_Count	0
119097769	Structure_Complexity	125
91661	Molecular_Weight	338.9
208880	TPSA	49.8
136340880	Hydrogen_Bond_Donor_Count	1
439182	Molecular_Weight	251.24
71895	XLogP3-AA	3
60054	Hydrogen_Bond_Donor_Count	3
6590	Mono_Isotopic_Weight	88.052429494
91489	TPSA	74.2
4916	Total_Formal_Charge	0
65909	Hydrogen_Bond_Donor_Count	1
219099	Total_Formal_Charge	0
53736	Exact_Mass	244.157563266
21401558	Covalent_Unit_Count	1
9257	Undefined_Bond_Stereo_Count	0
122356	Molecular_Weight	130.19
2786	Hydrogen_Bond_Donor_Count	4
44623071	XLogP3-AA	0.6
61583	Molecular_Weight	247.33
5497163	Defined_Atom_Stereo_Count	0
2723631	Defined_Bond_Stereo_Count	0
21030991	TPSA	56
12708563	Mono_Isotopic_Weight	114.104465066
2650	Exact_Mass	546.09913941
19954	Exact_Mass	186.090546336
99416	Non-hydrogen_Atom_Count	19
256411	TPSA	88.6
110785	Hydrogen_Bond_Donor_Count	0
11111	Exact_Mass	307.06267708
58125087	Undefined_Bond_Stereo_Count	0
16106	Rotatable_Bond_Count	1
6255	Defined_Atom_Stereo_Count	10
57395973	Hydrogen_Bond_Acceptor_Count	4
25799416	Structure_Complexity	189
8316	Isotope_Atom_Count	0
527855	Total_Formal_Charge	0
446056	Rotatable_Bond_Count	4
318	Undefined_Bond_Stereo_Count	1
22057968	Defined_Atom_Stereo_Count	0
3037171	TPSA	180
26859	Exact_Mass	275.16337692
622606	Undefined_Bond_Stereo_Count	0
25023847	XLogP3-AA	3
941361	Total_Formal_Charge	0
59751	Isotope_Atom_Count	0
314184	Molecular_Weight	101.10
60746	Mono_Isotopic_Weight	367.0934984
11412	Exact_Mass	114.140850574
8230	Total_Formal_Charge	0
145971	Non-hydrogen_Atom_Count	15
78031	Hydrogen_Bond_Donor_Count	1
32443	Total_Formal_Charge	0
118946372	Structure_Complexity	1000
106195	Hydrogen_Bond_Donor_Count	1
102192	Non-hydrogen_Atom_Count	21
21939031	Mono_Isotopic_Weight	97.027611728
65874	XLogP3-AA	2.6
44408641	Structure_Complexity	491
123555270	Mono_Isotopic_Weight	108.093900383
40466996	Hydrogen_Bond_Donor_Count	1
71560661	Non-hydrogen_Atom_Count	18
13643667	Exact_Mass	449.71112
22170354	TPSA	86.5
12705044	Covalent_Unit_Count	1
3121	Rotatable_Bond_Count	5
68019	Structure_Complexity	144
93193	Tautomer_Count	1
54421	Non-hydrogen_Atom_Count	27
5363527	Structure_Complexity	185
4284	Mono_Isotopic_Weight	191.131014166
431	Defined_Bond_Stereo_Count	0
16217248	Mono_Isotopic_Weight	115.099714038
21989159	Rotatable_Bond_Count	20
85687	Defined_Bond_Stereo_Count	0
19705594	Defined_Atom_Stereo_Count	0
48845	Exact_Mass	354.19434270
1238	Isotope_Atom_Count	0
69392	Mono_Isotopic_Weight	72.057514874
9868041	Undefined_Bond_Stereo_Count	0
10557575	Mono_Isotopic_Weight	871.36264935
6433554	Undefined_Bond_Stereo_Count	0
94222	Rotatable_Bond_Count	3
103528	Molecular_Weight	210.27
90961655	Undefined_Atom_Stereo_Count	2
164767	Undefined_Atom_Stereo_Count	0
13781592	Defined_Atom_Stereo_Count	0
7180	Hydrogen_Bond_Acceptor_Count	3
12623598	XLogP3-AA	0.4
96402	Hydrogen_Bond_Acceptor_Count	0
65777	XLogP3-AA	3.5
55289898	Total_Formal_Charge	0
7400	Structure_Complexity	211
11522448	Non-hydrogen_Atom_Count	20
68764493	Rotatable_Bond_Count	0
95616	Structure_Complexity	618
48188	Total_Formal_Charge	0
42648	Hydrogen_Bond_Acceptor_Count	6
44455117	Molecular_Weight	377.4
1570	Exact_Mass	127.00918496
101437085	Mono_Isotopic_Weight	489.15256851
12450	Hydrogen_Bond_Donor_Count	0
89423	Exact_Mass	124.052429494
5311035	Undefined_Bond_Stereo_Count	0
2526	Hydrogen_Bond_Acceptor_Count	6
23163355	Hydrogen_Bond_Acceptor_Count	3
484651	Hydrogen_Bond_Acceptor_Count	28
64149	Total_Formal_Charge	0
154152828	Covalent_Unit_Count	1
19068741	Non-hydrogen_Atom_Count	7
104730	Defined_Atom_Stereo_Count	0
2724032	Undefined_Atom_Stereo_Count	1
137018	Total_Formal_Charge	0
547785	Hydrogen_Bond_Donor_Count	3
481709	Undefined_Bond_Stereo_Count	0
4167	Hydrogen_Bond_Acceptor_Count	2
88322	Undefined_Bond_Stereo_Count	0
104149	Tautomer_Count	1
62280	Hydrogen_Bond_Donor_Count	5
34799	Mono_Isotopic_Weight	205.146664230
14527402	Molecular_Weight	114.19
153874923	Structure_Complexity	90.5
164675904	TPSA	37.4
19078026	Total_Formal_Charge	0
99564	Rotatable_Bond_Count	1
3924	Non-hydrogen_Atom_Count	17
86165635	TPSA	32.8
170049	Hydrogen_Bond_Donor_Count	4
6891	Defined_Bond_Stereo_Count	0
5464344	Undefined_Atom_Stereo_Count	0
50901	Hydrogen_Bond_Acceptor_Count	4
12867427	Covalent_Unit_Count	1
3048339	Rotatable_Bond_Count	0
123935295	Defined_Bond_Stereo_Count	0
135724	Defined_Bond_Stereo_Count	0
78099560	Mono_Isotopic_Weight	462.1686514
1549120	Mono_Isotopic_Weight	319.03368562
66249	Non-hydrogen_Atom_Count	39
1217	Undefined_Bond_Stereo_Count	0
22033763	Hydrogen_Bond_Acceptor_Count	2
7426	Rotatable_Bond_Count	0
709612	Undefined_Atom_Stereo_Count	0
5863	Defined_Atom_Stereo_Count	7
52944535	Molecular_Weight	414.9
135749824	Defined_Atom_Stereo_Count	9
145971	Tautomer_Count	3
55289386	Defined_Atom_Stereo_Count	0
122612	Structure_Complexity	418
22459	Rotatable_Bond_Count	0
15165	Undefined_Atom_Stereo_Count	1
11469055	Covalent_Unit_Count	1
6497	Non-hydrogen_Atom_Count	7
49867936	Structure_Complexity	815
19879775	XLogP3-AA	2.1
102232	TPSA	78.9
62436	Hydrogen_Bond_Donor_Count	0
441451	Isotope_Atom_Count	0
159738	Rotatable_Bond_Count	2
57090177	Covalent_Unit_Count	1
3400	Hydrogen_Bond_Donor_Count	0
6440511	Isotope_Atom_Count	0
518872	Tautomer_Count	1
14794987	Undefined_Atom_Stereo_Count	0
13487335	Defined_Atom_Stereo_Count	0
58806244	Defined_Bond_Stereo_Count	0
65037	Hydrogen_Bond_Donor_Count	1
154809629	Undefined_Atom_Stereo_Count	0
453618	Mono_Isotopic_Weight	776.23348565
129791	Hydrogen_Bond_Donor_Count	2
22344	Undefined_Atom_Stereo_Count	0
42580058	Total_Formal_Charge	0
118701617	Defined_Atom_Stereo_Count	11
53960	Mono_Isotopic_Weight	296.1655411
96098	Tautomer_Count	1
5896	Defined_Atom_Stereo_Count	0
67284	Hydrogen_Bond_Donor_Count	0
8855	Defined_Atom_Stereo_Count	0
6099	Total_Formal_Charge	0
108137	Molecular_Weight	277.32
6961	TPSA	149
59648985	TPSA	23.8
42602095	XLogP3-AA	2.4
75534859	Covalent_Unit_Count	1
3651377	Undefined_Atom_Stereo_Count	0
58827	Exact_Mass	313.16779360
54454	Hydrogen_Bond_Acceptor_Count	5
210	Molecular_Weight	674.6
574037	Undefined_Atom_Stereo_Count	0
12724622	TPSA	20.2
317543	Hydrogen_Bond_Donor_Count	1
119202	Structure_Complexity	725
5461982	Exact_Mass	200.9708
2734225	Molecular_Weight	258.83
224753	Defined_Atom_Stereo_Count	0
19809513	Mono_Isotopic_Weight	94.016712692
78014	Total_Formal_Charge	0
11641	Hydrogen_Bond_Acceptor_Count	0
70752	Non-hydrogen_Atom_Count	10
23111554	Undefined_Atom_Stereo_Count	1
6914282	Hydrogen_Bond_Donor_Count	3
11115995	TPSA	43.4
8917	Covalent_Unit_Count	1
12256033	Undefined_Bond_Stereo_Count	0
17991084	TPSA	64.9
138986956	Undefined_Atom_Stereo_Count	0
5200289	TPSA	54.7
267493	Exact_Mass	259.05930578
4146595	Structure_Complexity	169
92840	Tautomer_Count	1
179344	Undefined_Bond_Stereo_Count	0
31134	Defined_Bond_Stereo_Count	0
5231576	Defined_Atom_Stereo_Count	0
96281	Total_Formal_Charge	0
127441	Isotope_Atom_Count	0
82622	Structure_Complexity	343
4913243	Covalent_Unit_Count	1
274074	Non-hydrogen_Atom_Count	28
44309990	Exact_Mass	369.1374678
587311	Isotope_Atom_Count	0
6992032	Hydrogen_Bond_Donor_Count	2
6535	Undefined_Bond_Stereo_Count	0
52918019	Structure_Complexity	367
14443	Covalent_Unit_Count	1
31260	Hydrogen_Bond_Donor_Count	1
53869158	Defined_Bond_Stereo_Count	0
650201	Structure_Complexity	682
93131	Defined_Atom_Stereo_Count	0
23519621	Tautomer_Count	1
23199087	Covalent_Unit_Count	1
77721	Structure_Complexity	297
53846435	Isotope_Atom_Count	0
8267	Hydrogen_Bond_Acceptor_Count	4
16211948	Isotope_Atom_Count	0
6443800	Rotatable_Bond_Count	9
123867503	Exact_Mass	108.093900383
24949247	Mono_Isotopic_Weight	384.06981
11852	Mono_Isotopic_Weight	483.59443
119171	Undefined_Bond_Stereo_Count	0
16197730	Exact_Mass	1944.87636988
71718453	Non-hydrogen_Atom_Count	23
6435801	TPSA	110
6041	TPSA	52.5
65576	Isotope_Atom_Count	0
54757838	TPSA	107
142738	Molecular_Weight	108.18
7106	Covalent_Unit_Count	1
21541699	Covalent_Unit_Count	1
12540922	Rotatable_Bond_Count	0
6328154	Mono_Isotopic_Weight	263.07428675
4278	Hydrogen_Bond_Acceptor_Count	2
9957090	Hydrogen_Bond_Acceptor_Count	8
11974213	XLogP3-AA	5.5
254081	Hydrogen_Bond_Donor_Count	0
56473	Hydrogen_Bond_Acceptor_Count	3
68485856	Defined_Atom_Stereo_Count	0
19067957	Total_Formal_Charge	0
81601	Tautomer_Count	1
54129211	Mono_Isotopic_Weight	94.041864811
5464090	TPSA	159
10442	Undefined_Bond_Stereo_Count	0
81846	Isotope_Atom_Count	0
243556	XLogP3-AA	4.6
413520	Defined_Atom_Stereo_Count	0
201538	Rotatable_Bond_Count	15
1466	Covalent_Unit_Count	1
441757	Rotatable_Bond_Count	2
54418364	TPSA	26.3
4532218	Molecular_Weight	106.19
1162	Structure_Complexity	1280
13111185	TPSA	26.3
181887	TPSA	13.1
129627254	Mono_Isotopic_Weight	676.4251867
57091294	Hydrogen_Bond_Acceptor_Count	3
34574	Exact_Mass	241.085126602
57123584	Mono_Isotopic_Weight	113.047678466
135449281	Molecular_Weight	268.23
590707	Covalent_Unit_Count	1
6918678	Undefined_Bond_Stereo_Count	0
111509	Hydrogen_Bond_Donor_Count	1
129821598	Molecular_Weight	167.25
94398	Isotope_Atom_Count	0
407175	Covalent_Unit_Count	1
53763275	Total_Formal_Charge	0
135985157	Mono_Isotopic_Weight	113.022526347
9919001	Structure_Complexity	507
439456	Molecular_Weight	420.10
12814872	Defined_Atom_Stereo_Count	7
413494	Undefined_Bond_Stereo_Count	0
36688137	Non-hydrogen_Atom_Count	25
667657	Defined_Bond_Stereo_Count	0
11625818	TPSA	99.2
516919	Undefined_Bond_Stereo_Count	0
160576	Isotope_Atom_Count	0
11029889	Covalent_Unit_Count	1
7428	Mono_Isotopic_Weight	184.03717335
131708911	Hydrogen_Bond_Donor_Count	1
823816	Exact_Mass	347.10923335
448042	Mono_Isotopic_Weight	247.168462302
3946663	Non-hydrogen_Atom_Count	29
287350	Defined_Bond_Stereo_Count	0
4952	TPSA	74.6
71624469	Mono_Isotopic_Weight	336.15862589
159952	Defined_Atom_Stereo_Count	0
91419082	TPSA	9.2
5287958	Covalent_Unit_Count	1
31508	Rotatable_Bond_Count	2
179822	Mono_Isotopic_Weight	403.78292
20253	Defined_Bond_Stereo_Count	0
57394195	Undefined_Bond_Stereo_Count	0
13314379	Hydrogen_Bond_Donor_Count	0
58070804	Hydrogen_Bond_Acceptor_Count	6
15939	Mono_Isotopic_Weight	186.115698455
14239884	Hydrogen_Bond_Acceptor_Count	4
97105	Total_Formal_Charge	0
5282251	Mono_Isotopic_Weight	429.97768687
14962	Total_Formal_Charge	0
44146693	Hydrogen_Bond_Acceptor_Count	6
23674889	Rotatable_Bond_Count	2
9554198	Hydrogen_Bond_Acceptor_Count	3
85912645	Mono_Isotopic_Weight	98.036779430
53432920	Undefined_Atom_Stereo_Count	0
102148036	Exact_Mass	338.16304257
153685445	Exact_Mass	95.073499291
7680	Covalent_Unit_Count	1
20385080	Non-hydrogen_Atom_Count	8
444182	Undefined_Bond_Stereo_Count	0
85325038	Hydrogen_Bond_Donor_Count	2
119607	Undefined_Bond_Stereo_Count	0
12081	Undefined_Atom_Stereo_Count	0
90698789	Structure_Complexity	68
11104792	Molecular_Weight	811.0
5353830	Non-hydrogen_Atom_Count	17
20426877	Undefined_Atom_Stereo_Count	2
524410	Covalent_Unit_Count	1
91566861	Hydrogen_Bond_Acceptor_Count	0
10784	Molecular_Weight	220.01
10217663	Molecular_Weight	491.6
85854	Structure_Complexity	37.1
90477400	Non-hydrogen_Atom_Count	18
83976	Molecular_Weight	909.6
1476655	XLogP3-AA	1.5
89036	Hydrogen_Bond_Donor_Count	2
68651	Non-hydrogen_Atom_Count	19
3342768	Defined_Atom_Stereo_Count	0
1549098	Molecular_Weight	153.16
44717	Undefined_Bond_Stereo_Count	0
66414	TPSA	49.7
165901	Structure_Complexity	317
21934982	Mono_Isotopic_Weight	141.115364102
93290	Hydrogen_Bond_Acceptor_Count	0
134715568	Exact_Mass	570.34512703
9570327	Hydrogen_Bond_Donor_Count	2
21161643	Undefined_Bond_Stereo_Count	0
51066536	Defined_Atom_Stereo_Count	2
23692128	Hydrogen_Bond_Donor_Count	3
441199	Undefined_Bond_Stereo_Count	0
77676	TPSA	51.8
11274968	Hydrogen_Bond_Donor_Count	0
19211	Non-hydrogen_Atom_Count	12
15030236	XLogP3-AA	2.6
57183917	Non-hydrogen_Atom_Count	8
541384	Hydrogen_Bond_Acceptor_Count	3
72168	Hydrogen_Bond_Acceptor_Count	7
2734233	Isotope_Atom_Count	0
3940	Defined_Bond_Stereo_Count	0
14066	Structure_Complexity	59.1
572065	Structure_Complexity	161
22505735	Total_Formal_Charge	0
252139	TPSA	48.8
71727581	Hydrogen_Bond_Donor_Count	2
46203882	Exact_Mass	167.105862047
7017228	XLogP3-AA	0.9
13422580	Defined_Atom_Stereo_Count	18
49869040	Rotatable_Bond_Count	3
86384	Covalent_Unit_Count	3
26398	Molecular_Weight	251.11
33443	Non-hydrogen_Atom_Count	16
12763	Molecular_Weight	126.24
62719	Hydrogen_Bond_Donor_Count	0
10471931	Defined_Atom_Stereo_Count	0
54682536	Rotatable_Bond_Count	4
36005	Undefined_Bond_Stereo_Count	0
2826036	Hydrogen_Bond_Acceptor_Count	4
138024	Defined_Atom_Stereo_Count	0
16704	Structure_Complexity	92.5
1441454	Hydrogen_Bond_Donor_Count	1
112239	Mono_Isotopic_Weight	242.224580195
15660	Mono_Isotopic_Weight	210.209598838
6914	Hydrogen_Bond_Donor_Count	1
12054761	Hydrogen_Bond_Donor_Count	0
6058	Structure_Complexity	10
55278707	Non-hydrogen_Atom_Count	7
443310	Hydrogen_Bond_Donor_Count	4
13378967	Total_Formal_Charge	0
163050678	Mono_Isotopic_Weight	284.16237386
50224	Undefined_Bond_Stereo_Count	0
58952	XLogP3-AA	2.9
6996	Hydrogen_Bond_Donor_Count	0
68129	XLogP3-AA	0
12291486	XLogP3-AA	2.2
80293	Mono_Isotopic_Weight	123.068413911
25074469	Mono_Isotopic_Weight	1698.72556297
22764074	Hydrogen_Bond_Donor_Count	0
133109198	Covalent_Unit_Count	1
13809010	Total_Formal_Charge	0
54739	Tautomer_Count	3
15851	Isotope_Atom_Count	0
43813	Hydrogen_Bond_Donor_Count	1
1956	Hydrogen_Bond_Donor_Count	5
80396	Mono_Isotopic_Weight	244.10679099
9807600	Structure_Complexity	694
64992139	Hydrogen_Bond_Donor_Count	1
5281969	Molecular_Weight	347.5
9984374	Undefined_Atom_Stereo_Count	1
5351	Hydrogen_Bond_Acceptor_Count	10
18386435	Exact_Mass	116.01095860
734033	TPSA	40.6
616642	Defined_Bond_Stereo_Count	0
107689	Structure_Complexity	59.1
44521019	Rotatable_Bond_Count	6
313196	Isotope_Atom_Count	0
10313457	Tautomer_Count	1
13925	XLogP3-AA	4.4
9882837	Undefined_Bond_Stereo_Count	0
21047	Defined_Bond_Stereo_Count	0
80467969	TPSA	20.2
3497	Non-hydrogen_Atom_Count	34
5150303	Isotope_Atom_Count	0
49787020	Hydrogen_Bond_Acceptor_Count	17
484651	Structure_Complexity	2070
132282518	Rotatable_Bond_Count	22
69065	Hydrogen_Bond_Donor_Count	2
10334852	Non-hydrogen_Atom_Count	20
11611	Hydrogen_Bond_Donor_Count	0
99342	Exact_Mass	358.240898965
99027	Isotope_Atom_Count	0
53494692	Hydrogen_Bond_Acceptor_Count	4
627386	Covalent_Unit_Count	1
79314	Hydrogen_Bond_Acceptor_Count	3
70752	Defined_Atom_Stereo_Count	0
9567	Undefined_Bond_Stereo_Count	0
130125724	Non-hydrogen_Atom_Count	8
56845432	Non-hydrogen_Atom_Count	12
116225458	Exact_Mass	112.088815002
16375	Covalent_Unit_Count	1
518516	Defined_Bond_Stereo_Count	0
28561	Covalent_Unit_Count	1
10734	Isotope_Atom_Count	0
3114	Exact_Mass	339.231062557
86566	Covalent_Unit_Count	1
15106	Total_Formal_Charge	0
18545678	Undefined_Atom_Stereo_Count	1
10321331	Structure_Complexity	220
213021	Defined_Bond_Stereo_Count	0
6946681	Covalent_Unit_Count	1
9820034	Undefined_Atom_Stereo_Count	0
123611214	Covalent_Unit_Count	1
53245830	Hydrogen_Bond_Acceptor_Count	3
21852125	Non-hydrogen_Atom_Count	14
610072	Molecular_Weight	222.37
987	Rotatable_Bond_Count	10
10891	Non-hydrogen_Atom_Count	9
5487426	Rotatable_Bond_Count	5
2762647	Total_Formal_Charge	0
1181	Covalent_Unit_Count	1
54307	Undefined_Atom_Stereo_Count	0
12459572	Covalent_Unit_Count	1
76451	Isotope_Atom_Count	0
54095609	Undefined_Atom_Stereo_Count	1
21189145	Mono_Isotopic_Weight	114.031694049
3031	Hydrogen_Bond_Acceptor_Count	1
139080230	Molecular_Weight	446.4
10404	Mono_Isotopic_Weight	241.95636425
24182914	Undefined_Atom_Stereo_Count	0
89036	TPSA	66.4
71417	Defined_Atom_Stereo_Count	0
22623468	Hydrogen_Bond_Donor_Count	0
39860	Mono_Isotopic_Weight	372.26644501
2617	Isotope_Atom_Count	0
3000667	Mono_Isotopic_Weight	319.14197277
2730	Undefined_Bond_Stereo_Count	0
11915	Undefined_Bond_Stereo_Count	0
98397	Structure_Complexity	294
636367	Exact_Mass	193.05863707
19082030	Covalent_Unit_Count	1
9693	Rotatable_Bond_Count	4
101694728	Undefined_Bond_Stereo_Count	0
107694	Exact_Mass	712.3530671
73154880	TPSA	27.8
50538	Non-hydrogen_Atom_Count	21
1030	Defined_Atom_Stereo_Count	0
11858154	XLogP3-AA	3.4
136499	Hydrogen_Bond_Donor_Count	0
9939298	Non-hydrogen_Atom_Count	46
10564696	Defined_Bond_Stereo_Count	0
178438	Tautomer_Count	1
5282402	Mono_Isotopic_Weight	373.1444713
20903	Total_Formal_Charge	0
103535	Defined_Bond_Stereo_Count	0
87605	Defined_Atom_Stereo_Count	0
2758725	Structure_Complexity	87.1
6918049	Hydrogen_Bond_Donor_Count	1
11745116	Non-hydrogen_Atom_Count	12
10464328	Structure_Complexity	137
3603	Defined_Bond_Stereo_Count	0
7116	Tautomer_Count	1
64655	TPSA	86.2
44228720	Undefined_Bond_Stereo_Count	0
78423105	Exact_Mass	259.04289038
124921376	Hydrogen_Bond_Acceptor_Count	14
9642	Total_Formal_Charge	0
2913	Covalent_Unit_Count	1
129860157	Undefined_Bond_Stereo_Count	0
222155	XLogP3	0.8
81364	Defined_Bond_Stereo_Count	0
123744867	Total_Formal_Charge	0
53936618	Covalent_Unit_Count	1
56626368	Structure_Complexity	74.2
3803614	Defined_Bond_Stereo_Count	0
21723655	TPSA	20.2
336423	TPSA	39.2
11281011	Isotope_Atom_Count	0
107871	Total_Formal_Charge	0
19665	Defined_Bond_Stereo_Count	0
61534	Mono_Isotopic_Weight	91.940821
186148	Hydrogen_Bond_Acceptor_Count	1
9826358	Rotatable_Bond_Count	6
516892	Structure_Complexity	33.9
11982778	Exact_Mass	1348.58318267
11672659	Molecular_Weight	98.14
130845868	Structure_Complexity	96.7
83003418	Hydrogen_Bond_Donor_Count	1
14693963	XLogP3-AA	2.1
760006	Total_Formal_Charge	0
4171	Undefined_Bond_Stereo_Count	0
256347	Defined_Bond_Stereo_Count	0
2723631	Undefined_Atom_Stereo_Count	0
69656	Non-hydrogen_Atom_Count	6
5282108	Mono_Isotopic_Weight	192.151415257
62267	Non-hydrogen_Atom_Count	15
133741	Isotope_Atom_Count	0
136219151	Hydrogen_Bond_Acceptor_Count	3
3003	Exact_Mass	392.19990218
481	Covalent_Unit_Count	1
11297955	TPSA	35.5
73343	Covalent_Unit_Count	2
17931	Structure_Complexity	403
683214	Exact_Mass	315.12190603
4226	Hydrogen_Bond_Acceptor_Count	5
56834574	Covalent_Unit_Count	1
168871	Total_Formal_Charge	0
10946	Hydrogen_Bond_Acceptor_Count	3
7966	Molecular_Weight	100.16
12479241	XLogP3-AA	4.2
87401	Defined_Bond_Stereo_Count	0
23673837	Undefined_Bond_Stereo_Count	0
16219903	Exact_Mass	614.38186868
19877808	Hydrogen_Bond_Acceptor_Count	2
285366	Total_Formal_Charge	0
2072949	Undefined_Atom_Stereo_Count	0
15816	Exact_Mass	216.13615911
900	Non-hydrogen_Atom_Count	19
54961	Rotatable_Bond_Count	5
89422816	Hydrogen_Bond_Donor_Count	1
35754	Molecular_Weight	281.31
18604	Exact_Mass	212.214015512
71356656	Hydrogen_Bond_Acceptor_Count	1
6918242	Hydrogen_Bond_Acceptor_Count	9
54370143	Mono_Isotopic_Weight	225.126597491
2763078	Isotope_Atom_Count	0
53867497	Structure_Complexity	99.7
10686	Exact_Mass	120.093900383
16756754	XLogP3-AA	6.3
91071011	Non-hydrogen_Atom_Count	29
7768	Isotope_Atom_Count	0
11705141	XLogP3-AA	4.5
91435	TPSA	60.4
23649245	Tautomer_Count	5
129760006	Total_Formal_Charge	0
10141	XLogP3-AA	1.8
8215	XLogP3	9.6
9900	Defined_Bond_Stereo_Count	0
19695800	Total_Formal_Charge	0
44112	Defined_Bond_Stereo_Count	0
101915880	Exact_Mass	528.9651382
6329567	Hydrogen_Bond_Donor_Count	0
189003	Molecular_Weight	190.18
261166	Defined_Bond_Stereo_Count	0
126624267	TPSA	190
67247971	Isotope_Atom_Count	0
197942	Molecular_Weight	206.63
2943	Structure_Complexity	290
70734	TPSA	58.7
15214552	Hydrogen_Bond_Acceptor_Count	2
887824	Rotatable_Bond_Count	3
20517187	Defined_Atom_Stereo_Count	0
522996	Hydrogen_Bond_Acceptor_Count	0
90184753	Defined_Bond_Stereo_Count	0
31255	Undefined_Atom_Stereo_Count	0
14225655	Hydrogen_Bond_Donor_Count	0
12959091	Mono_Isotopic_Weight	99.068413911
133568445	Structure_Complexity	1370
3437	Undefined_Atom_Stereo_Count	0
4009	Structure_Complexity	783
11954319	Covalent_Unit_Count	2
86882	Hydrogen_Bond_Acceptor_Count	2
4432690	Structure_Complexity	962
60820	Exact_Mass	421.27292737
53232451	Molecular_Weight	355.3
1276	Mono_Isotopic_Weight	297.06709375
50986266	Total_Formal_Charge	0
19985227	Isotope_Atom_Count	0
12561970	Undefined_Bond_Stereo_Count	0
10048368	Exact_Mass	431.07575
19239	Exact_Mass	102.079312947
12963076	TPSA	16.1
75184787	Undefined_Atom_Stereo_Count	1
406563	Defined_Bond_Stereo_Count	0
73415804	Defined_Bond_Stereo_Count	0
7899	Undefined_Atom_Stereo_Count	0
11300765	Rotatable_Bond_Count	0
11953895	TPSA	139
22451318	Hydrogen_Bond_Acceptor_Count	2
98174	Exact_Mass	263.131014166
70688569	Total_Formal_Charge	0
44560574	Covalent_Unit_Count	1
4912932	Covalent_Unit_Count	1
29685	Defined_Atom_Stereo_Count	0
59310309	Undefined_Atom_Stereo_Count	0
12363650	Isotope_Atom_Count	0
135434844	Molecular_Weight	1145.3
139292146	Total_Formal_Charge	0
3035451	Defined_Atom_Stereo_Count	4
139799	Defined_Atom_Stereo_Count	0
18998026	TPSA	66.2
257950	Isotope_Atom_Count	0
122313	Mono_Isotopic_Weight	323.12296866
9964	Exact_Mass	161.04523368
129866213	Total_Formal_Charge	0
5310985	Non-hydrogen_Atom_Count	23
9846339	Isotope_Atom_Count	0
24004	Isotope_Atom_Count	0
11870427	Molecular_Weight	334.37
12719155	Exact_Mass	420.396730897
10057477	Rotatable_Bond_Count	0
6918335	Structure_Complexity	1280
13584550	Rotatable_Bond_Count	0
33184	Defined_Bond_Stereo_Count	0
22220896	Defined_Atom_Stereo_Count	0
134715513	Exact_Mass	1000.38411307
5227	Hydrogen_Bond_Acceptor_Count	3
527072	TPSA	0
46871497	XLogP3-AA	0.6
138527	Exact_Mass	278.18819469
13297684	Total_Formal_Charge	0
241419	Hydrogen_Bond_Donor_Count	1
82658	Defined_Atom_Stereo_Count	1
20299950	Total_Formal_Charge	0
24883486	Undefined_Bond_Stereo_Count	0
58550596	Isotope_Atom_Count	0
13334302	Covalent_Unit_Count	1
46173707	Hydrogen_Bond_Donor_Count	11
73415830	Defined_Bond_Stereo_Count	0
19070	Structure_Complexity	52.8
517000	Defined_Bond_Stereo_Count	0
84098	Isotope_Atom_Count	0
23749	Tautomer_Count	1
122087	TPSA	46.2
226831	Molecular_Weight	89.14
83970	Exact_Mass	545.18971080
36392	Isotope_Atom_Count	0
9942725	Mono_Isotopic_Weight	232.10233402
3002335	Defined_Atom_Stereo_Count	0
12116	Structure_Complexity	193
59277756	Mono_Isotopic_Weight	99.043261792
19027501	Rotatable_Bond_Count	3
351917	Mono_Isotopic_Weight	198.0018471
9434	Hydrogen_Bond_Acceptor_Count	2
129846269	Molecular_Weight	368.3
13447028	Molecular_Weight	111.14
16682935	Defined_Atom_Stereo_Count	0
439839	Isotope_Atom_Count	0
70099	Undefined_Atom_Stereo_Count	0
46926350	Molecular_Weight	396.5
68486699	Total_Formal_Charge	0
9901	Hydrogen_Bond_Acceptor_Count	2
10306	Isotope_Atom_Count	0
5222465	Total_Formal_Charge	0
44558883	Exact_Mass	1078.42704051
60809	TPSA	66.5
135589409	Structure_Complexity	277
134738658	Non-hydrogen_Atom_Count	29
84647703	Hydrogen_Bond_Donor_Count	2
33363	TPSA	21.6
72614909	Mono_Isotopic_Weight	96.068748264
19966840	Rotatable_Bond_Count	0
12964226	Defined_Bond_Stereo_Count	0
84363	Undefined_Atom_Stereo_Count	0
22475863	TPSA	32.3
136070	Undefined_Bond_Stereo_Count	0
1201479	Isotope_Atom_Count	0
3628	Undefined_Bond_Stereo_Count	0
11219835	XLogP3-AA	3.1
58247571	Undefined_Bond_Stereo_Count	0
21894213	Defined_Bond_Stereo_Count	0
55472	Molecular_Weight	837.0
30923	Structure_Complexity	216
17963199	Defined_Atom_Stereo_Count	0
90479276	Structure_Complexity	1410
16659681	Total_Formal_Charge	0
12011	Defined_Bond_Stereo_Count	0
54111025	Defined_Bond_Stereo_Count	0
231934	Defined_Bond_Stereo_Count	1
169986	Undefined_Atom_Stereo_Count	0
14297260	Rotatable_Bond_Count	0
246724	Covalent_Unit_Count	1
83023	Molecular_Weight	433.46
123892631	Undefined_Atom_Stereo_Count	1
52940549	Undefined_Atom_Stereo_Count	0
68304	Mono_Isotopic_Weight	325.1808568
57465876	Total_Formal_Charge	0
5035	Isotope_Atom_Count	0
471895	Structure_Complexity	752
6342	XLogP3-AA	0
44319	Mono_Isotopic_Weight	257.120449483
5281065	Tautomer_Count	1
11249342	XLogP3	2.3
91810695	Total_Formal_Charge	0
149755	Total_Formal_Charge	0
5641	Defined_Bond_Stereo_Count	0
12731	Exact_Mass	148.023320
11967617	Molecular_Weight	1104.99
5561	Defined_Atom_Stereo_Count	0
16217	Undefined_Bond_Stereo_Count	0
16090272	Rotatable_Bond_Count	4
11235729	TPSA	90.4
26009888	TPSA	64.1
3085168	Exact_Mass	562.21444394
66199435	Hydrogen_Bond_Donor_Count	1
132263855	Exact_Mass	342.11621151
56682220	Non-hydrogen_Atom_Count	33
11819055	Hydrogen_Bond_Donor_Count	0
56626368	Rotatable_Bond_Count	2
14301363	XLogP3-AA	4.2
737157	Molecular_Weight	193.16
70722	Defined_Bond_Stereo_Count	0
11414871	Structure_Complexity	349
53869158	Undefined_Atom_Stereo_Count	0
44565820	Non-hydrogen_Atom_Count	23
70686473	Non-hydrogen_Atom_Count	28
44590447	Hydrogen_Bond_Acceptor_Count	7
2997881	Molecular_Weight	210.30
86671471	Structure_Complexity	40.7
71356554	Defined_Bond_Stereo_Count	0
91986	Hydrogen_Bond_Acceptor_Count	1
62389905	Molecular_Weight	99.17
137747	Tautomer_Count	1
6919025	Molecular_Weight	264.8
494	Defined_Atom_Stereo_Count	0
6473876	Defined_Atom_Stereo_Count	13
19549	Undefined_Atom_Stereo_Count	0
10034060	Isotope_Atom_Count	0
26970	Tautomer_Count	1
68841	Covalent_Unit_Count	1
69332716	Undefined_Bond_Stereo_Count	0
88977	Exact_Mass	324.314063904
135398737	XLogP3-AA	3.1
15914	Defined_Bond_Stereo_Count	0
86018330	Mono_Isotopic_Weight	92.062600255
70683717	Undefined_Bond_Stereo_Count	0
21718305	Exact_Mass	113.084063974
21466713	TPSA	60.2
2760056	Total_Formal_Charge	0
5086	Exact_Mass	265.06851135
15681692	Total_Formal_Charge	0
16137271	Non-hydrogen_Atom_Count	413
69990	Covalent_Unit_Count	1
12910381	Covalent_Unit_Count	1
123205882	Defined_Bond_Stereo_Count	0
11814656	TPSA	223
6918155	Defined_Bond_Stereo_Count	0
64645	Defined_Bond_Stereo_Count	0
242515	Tautomer_Count	1
88924436	Hydrogen_Bond_Donor_Count	0
46911956	TPSA	21.3
688267	Tautomer_Count	1
6473739	Undefined_Atom_Stereo_Count	1
5922	Isotope_Atom_Count	0
320760	Exact_Mass	972.31694049
23248	Molecular_Weight	222.28
7075	Total_Formal_Charge	0
23691965	Hydrogen_Bond_Acceptor_Count	3
5929	Isotope_Atom_Count	0
90894106	Undefined_Atom_Stereo_Count	0
70636	XLogP3	2.7
30858	TPSA	46.5
21447199	Non-hydrogen_Atom_Count	7
23278030	Defined_Atom_Stereo_Count	0
54687420	Undefined_Bond_Stereo_Count	0
54677946	Isotope_Atom_Count	0
6263	Rotatable_Bond_Count	2
25074469	Hydrogen_Bond_Acceptor_Count	21
15942892	TPSA	156
13728409	Total_Formal_Charge	0
15951	Structure_Complexity	176
57433782	Isotope_Atom_Count	0
485482	Mono_Isotopic_Weight	309.139173551
9941444	TPSA	281
9026	Covalent_Unit_Count	1
68787	Total_Formal_Charge	0
17945002	Undefined_Bond_Stereo_Count	0
138107735	TPSA	272
74087	Non-hydrogen_Atom_Count	6
163853278	Molecular_Weight	95.14
71449805	Molecular_Weight	305.4
16052015	Undefined_Atom_Stereo_Count	2
484651	Non-hydrogen_Atom_Count	80
18942519	Non-hydrogen_Atom_Count	11
15715913	Defined_Atom_Stereo_Count	0
682	Structure_Complexity	354
129726370	Mono_Isotopic_Weight	266.224580195
37508	Defined_Atom_Stereo_Count	0
582251	Non-hydrogen_Atom_Count	6
35676	Undefined_Bond_Stereo_Count	0
4323	Non-hydrogen_Atom_Count	27
20206342	Molecular_Weight	83.09
9839190	Isotope_Atom_Count	0
542317	Undefined_Atom_Stereo_Count	0
9804302	Hydrogen_Bond_Acceptor_Count	9
5622	Structure_Complexity	1260
14092185	Undefined_Bond_Stereo_Count	0
9396	Undefined_Bond_Stereo_Count	1
88533	Defined_Atom_Stereo_Count	0
124316	Defined_Bond_Stereo_Count	0
87081618	Total_Formal_Charge	0
12502948	Exact_Mass	114.104465066
15551468	Hydrogen_Bond_Acceptor_Count	2
456389	Undefined_Atom_Stereo_Count	1
6918637	TPSA	98.7
59886072	Non-hydrogen_Atom_Count	12
129650960	Hydrogen_Bond_Acceptor_Count	11
443870	Non-hydrogen_Atom_Count	27
61057	Defined_Bond_Stereo_Count	0
10308091	Defined_Bond_Stereo_Count	0
135413528	Tautomer_Count	3
219224	Isotope_Atom_Count	0
131744	XLogP3-AA	0
114946	Isotope_Atom_Count	0
77487	Structure_Complexity	118
57993933	Hydrogen_Bond_Acceptor_Count	1
60585	Hydrogen_Bond_Donor_Count	5
5378825	XLogP3	1.7
10898649	Mono_Isotopic_Weight	97.063997236
12488467	Isotope_Atom_Count	0
70545463	Defined_Atom_Stereo_Count	0
10772937	Undefined_Atom_Stereo_Count	1
64685	Mono_Isotopic_Weight	154.135765193
444913	Molecular_Weight	972.8
88398	Covalent_Unit_Count	1
67639	Molecular_Weight	332.09
29976098	Rotatable_Bond_Count	0
66769579	Rotatable_Bond_Count	0
21915946	Total_Formal_Charge	0
449224	Isotope_Atom_Count	0
15634681	Hydrogen_Bond_Donor_Count	1
14895680	Isotope_Atom_Count	0
86439	TPSA	90.6
45266541	Hydrogen_Bond_Donor_Count	5
2442	Isotope_Atom_Count	0
3924	Mono_Isotopic_Weight	235.181038361
5003059	Undefined_Atom_Stereo_Count	0
8351	Defined_Bond_Stereo_Count	0
139586083	Non-hydrogen_Atom_Count	77
45238	Undefined_Atom_Stereo_Count	2
89859387	Defined_Atom_Stereo_Count	0
73820465	Mono_Isotopic_Weight	482.15768240
67678949	TPSA	18.5
20133182	Structure_Complexity	81.7
153874923	Mono_Isotopic_Weight	113.084063974
84693	Mono_Isotopic_Weight	112.088815002
947	TPSA	47.6
439680	Total_Formal_Charge	0
88906574	Undefined_Atom_Stereo_Count	0
765378	Hydrogen_Bond_Acceptor_Count	5
14803	Molecular_Weight	77.978
608	Exact_Mass	178.04773803
5487713	Defined_Atom_Stereo_Count	0
8612	XLogP3	2.9
45380694	Non-hydrogen_Atom_Count	34
101924284	Isotope_Atom_Count	0
21635253	Rotatable_Bond_Count	4
67259543	Mono_Isotopic_Weight	109.016378338
61363	Structure_Complexity	1610
11862	Covalent_Unit_Count	1
19657	Molecular_Weight	216.20
6914821	Isotope_Atom_Count	0
11602	Molecular_Weight	82.14
74682	Defined_Bond_Stereo_Count	0
123298786	Defined_Atom_Stereo_Count	0
4477	Total_Formal_Charge	0
56982924	Undefined_Bond_Stereo_Count	0
784	Molecular_Weight	34.015
81540	Defined_Bond_Stereo_Count	0
19764725	Covalent_Unit_Count	1
750190	Defined_Atom_Stereo_Count	1
903687	Hydrogen_Bond_Acceptor_Count	4
70689350	Covalent_Unit_Count	2
125183303	Structure_Complexity	1830
638186	Total_Formal_Charge	0
20831824	Total_Formal_Charge	0
114359	Hydrogen_Bond_Donor_Count	3
17258	Defined_Bond_Stereo_Count	0
12271349	Exact_Mass	110.073164938
51030053	Mono_Isotopic_Weight	396.19098865
11683556	Defined_Atom_Stereo_Count	0
44629484	Undefined_Atom_Stereo_Count	0
125042028	Hydrogen_Bond_Acceptor_Count	1
129897177	Covalent_Unit_Count	2
108675	Molecular_Weight	179.02
12989	XLogP3-AA	0.6
124809080	Mono_Isotopic_Weight	527.23263824
49865495	XLogP3-AA	1.8
14120372	Undefined_Atom_Stereo_Count	0
12775	Molecular_Weight	136.19
135536952	Structure_Complexity	1100
136085	Covalent_Unit_Count	1
21328181	Hydrogen_Bond_Donor_Count	2
14957	Molecular_Weight	548.6
29934831	Non-hydrogen_Atom_Count	29
6604200	Hydrogen_Bond_Donor_Count	1
15271454	Exact_Mass	95.037113783
15981895	Hydrogen_Bond_Acceptor_Count	8
6433115	XLogP3-AA	2.9
2431	Hydrogen_Bond_Donor_Count	0
7829	Structure_Complexity	179
20607721	Hydrogen_Bond_Acceptor_Count	0
146887978	Isotope_Atom_Count	0
102515	Total_Formal_Charge	0
21158	Undefined_Bond_Stereo_Count	0
81426	Rotatable_Bond_Count	6
453077	XLogP3-AA	3.2
21942072	Mono_Isotopic_Weight	98.084398327
124823	Non-hydrogen_Atom_Count	17
53693033	Rotatable_Bond_Count	2
541623	Defined_Atom_Stereo_Count	0
76658	Non-hydrogen_Atom_Count	13
60196424	Non-hydrogen_Atom_Count	27
2781	Undefined_Bond_Stereo_Count	0
21252905	Isotope_Atom_Count	0
24815434	Total_Formal_Charge	0
78249	Defined_Atom_Stereo_Count	2
76223462	Rotatable_Bond_Count	2
12266	Exact_Mass	96.057514874
11455910	Isotope_Atom_Count	0
12984095	Undefined_Atom_Stereo_Count	1
887798	Total_Formal_Charge	0
7852	TPSA	26
4284331	Non-hydrogen_Atom_Count	31
31411	Non-hydrogen_Atom_Count	30
8433	TPSA	34.1
24585	Defined_Bond_Stereo_Count	0
10510810	Undefined_Bond_Stereo_Count	0
480242	Hydrogen_Bond_Donor_Count	2
23634441	Defined_Atom_Stereo_Count	0
9794203	Total_Formal_Charge	0
101089158	Hydrogen_Bond_Donor_Count	1
16404350	Defined_Atom_Stereo_Count	3
19662	Mono_Isotopic_Weight	242.9756919
16733482	Hydrogen_Bond_Donor_Count	4
125110	Undefined_Bond_Stereo_Count	0
5256168	Undefined_Bond_Stereo_Count	0
16130957	Defined_Atom_Stereo_Count	10
94647	Defined_Bond_Stereo_Count	0
82261	Non-hydrogen_Atom_Count	12
90488715	Mono_Isotopic_Weight	1018.44048069
6875624	TPSA	78.4
2394	Undefined_Atom_Stereo_Count	12
135484551	Isotope_Atom_Count	0
24820357	Undefined_Bond_Stereo_Count	0
57992175	Exact_Mass	417.22770851
90698789	Undefined_Atom_Stereo_Count	0
2735085	Non-hydrogen_Atom_Count	6
444200	Exact_Mass	164.06847348
46244259	Structure_Complexity	717
22833567	Defined_Atom_Stereo_Count	7
54681623	Structure_Complexity	600
11511	Isotope_Atom_Count	0
9846078	Undefined_Atom_Stereo_Count	0
13772685	Exact_Mass	259.96981
561488	Covalent_Unit_Count	1
10482134	Undefined_Atom_Stereo_Count	0
10176082	Non-hydrogen_Atom_Count	4
15568	Exact_Mass	286.11782371
7017	Molecular_Weight	170.21
15098	Hydrogen_Bond_Donor_Count	0
7016	XLogP3-AA	3.7
403647	Hydrogen_Bond_Donor_Count	1
3083671	Molecular_Weight	282.36
4330531	XLogP3-AA	0.6
61393223	XLogP3-AA	0.8
63119	XLogP3-AA	1.5
20206342	Mono_Isotopic_Weight	83.037113783
12523672	Undefined_Atom_Stereo_Count	2
16130957	Total_Formal_Charge	0
5353788	Undefined_Atom_Stereo_Count	0
135491728	Total_Formal_Charge	0
3956708	Covalent_Unit_Count	1
126456023	Undefined_Bond_Stereo_Count	0
56672298	Total_Formal_Charge	0
7401	TPSA	51.8
3443	XLogP3-AA	5.5
421	Mono_Isotopic_Weight	208.05917210
14717795	Covalent_Unit_Count	1
46848036	Undefined_Atom_Stereo_Count	0
31657	Non-hydrogen_Atom_Count	14
12959090	Hydrogen_Bond_Acceptor_Count	2
557502	Hydrogen_Bond_Donor_Count	1
44345198	Structure_Complexity	719
90658468	Non-hydrogen_Atom_Count	24
3335	Total_Formal_Charge	0
165892084	Rotatable_Bond_Count	0
155613706	Isotope_Atom_Count	0
101375997	Defined_Atom_Stereo_Count	31
9585	Structure_Complexity	143
51	Hydrogen_Bond_Acceptor_Count	5
162955683	Undefined_Bond_Stereo_Count	0
138663	Covalent_Unit_Count	1
200103	Defined_Atom_Stereo_Count	0
73619	Rotatable_Bond_Count	3
63833	Structure_Complexity	638
2184	Rotatable_Bond_Count	17
10434	Non-hydrogen_Atom_Count	8
53924282	Hydrogen_Bond_Acceptor_Count	2
136582	Non-hydrogen_Atom_Count	7
7130	Hydrogen_Bond_Acceptor_Count	1
4615423	Non-hydrogen_Atom_Count	12
31336	Mono_Isotopic_Weight	352.0713660
7997	Total_Formal_Charge	0
87940821	Non-hydrogen_Atom_Count	8
10043211	Total_Formal_Charge	0
71713950	Defined_Bond_Stereo_Count	0
3110	Undefined_Atom_Stereo_Count	0
152031	Undefined_Bond_Stereo_Count	0
102515088	Hydrogen_Bond_Acceptor_Count	6
188414	Rotatable_Bond_Count	2
156619446	Mono_Isotopic_Weight	1703.6894156
456214	XLogP3-AA	4.3
14897272	Exact_Mass	102.079312947
123133975	Non-hydrogen_Atom_Count	57
447145	Mono_Isotopic_Weight	463.07404340
6452481	Defined_Bond_Stereo_Count	0
53845104	Undefined_Atom_Stereo_Count	0
37890	Defined_Bond_Stereo_Count	0
765378	Structure_Complexity	154
12933279	TPSA	41.1
45257	Undefined_Atom_Stereo_Count	1
44353367	Exact_Mass	344.0119330
10256734	Rotatable_Bond_Count	7
3527278	Undefined_Atom_Stereo_Count	0
20194949	Covalent_Unit_Count	1
5287851	Molecular_Weight	315.41
20724	Undefined_Atom_Stereo_Count	1
23649427	XLogP3-AA	2.2
11108673	Defined_Atom_Stereo_Count	4
6321340	Non-hydrogen_Atom_Count	61
53404864	Defined_Bond_Stereo_Count	0
2449	Total_Formal_Charge	0
57357187	Non-hydrogen_Atom_Count	18
45282362	Covalent_Unit_Count	1
137700140	Hydrogen_Bond_Acceptor_Count	4
29971	Covalent_Unit_Count	1
11979961	Undefined_Atom_Stereo_Count	0
10346039	Exact_Mass	504.1462019
145948323	Exact_Mass	958.55145317
565932	XLogP3-AA	4.3
5281035	Undefined_Bond_Stereo_Count	0
1570	Defined_Bond_Stereo_Count	0
22138511	Tautomer_Count	1
133667882	Hydrogen_Bond_Acceptor_Count	1
147570519	TPSA	3.2
8863	Isotope_Atom_Count	0
62580	Undefined_Bond_Stereo_Count	0
13450484	Non-hydrogen_Atom_Count	8
157727	Covalent_Unit_Count	1
2331	Exact_Mass	121.052763847
61120	Rotatable_Bond_Count	4
667684	Hydrogen_Bond_Donor_Count	1
25058126	Covalent_Unit_Count	1
22016574	Non-hydrogen_Atom_Count	7
6433554	Molecular_Weight	1597.6
72155	Hydrogen_Bond_Donor_Count	0
25143624	Tautomer_Count	10
3086674	Undefined_Atom_Stereo_Count	0
5951	Molecular_Weight	105.09
56845432	Covalent_Unit_Count	1
91501507	Isotope_Atom_Count	0
5311055	Undefined_Atom_Stereo_Count	0
158371	Structure_Complexity	1860
51049607	Structure_Complexity	422
57521916	Total_Formal_Charge	0
76140	Hydrogen_Bond_Donor_Count	0
53903478	Defined_Bond_Stereo_Count	0
68015385	Isotope_Atom_Count	0
16091082	Defined_Atom_Stereo_Count	0
118388029	Hydrogen_Bond_Donor_Count	0
33944	Rotatable_Bond_Count	2
2756534	Defined_Bond_Stereo_Count	0
66908038	Covalent_Unit_Count	1
521874	Undefined_Bond_Stereo_Count	0
443878	Hydrogen_Bond_Acceptor_Count	8
45117185	Non-hydrogen_Atom_Count	15
9855476	Hydrogen_Bond_Acceptor_Count	3
11954310	Rotatable_Bond_Count	11
11717831	Structure_Complexity	629
13347992	Molecular_Weight	108.18
5497174	Hydrogen_Bond_Donor_Count	3
3084447	Structure_Complexity	249
92326	Structure_Complexity	315
117957447	Structure_Complexity	53.7
28803	Molecular_Weight	302.32
6450816	Undefined_Bond_Stereo_Count	0
136102	Undefined_Atom_Stereo_Count	0
3343558	XLogP3-AA	0.7
93079	Isotope_Atom_Count	0
37865	Total_Formal_Charge	0
414244	Molecular_Weight	117.15
6492	Isotope_Atom_Count	0
15413224	Non-hydrogen_Atom_Count	8
64772	Isotope_Atom_Count	0
13674270	Defined_Atom_Stereo_Count	0
57190391	Isotope_Atom_Count	7
12315192	Covalent_Unit_Count	1
5288679	Isotope_Atom_Count	0
176155	Mono_Isotopic_Weight	377.09981148
127030167	Hydrogen_Bond_Donor_Count	6
18352108	Isotope_Atom_Count	0
3014827	Total_Formal_Charge	0
129627254	Undefined_Bond_Stereo_Count	0
588	Structure_Complexity	151
2816568	Isotope_Atom_Count	0
26156	XLogP3-AA	1.6
1712	Defined_Bond_Stereo_Count	0
53895	Defined_Bond_Stereo_Count	0
2156	Non-hydrogen_Atom_Count	31
1664	Defined_Atom_Stereo_Count	0
9282	Defined_Atom_Stereo_Count	0
16204922	Mono_Isotopic_Weight	330.08680324
2723721	Rotatable_Bond_Count	0
52083990	Isotope_Atom_Count	0
136231689	Hydrogen_Bond_Acceptor_Count	4
88800	Hydrogen_Bond_Acceptor_Count	3
65991760	Undefined_Atom_Stereo_Count	0
447339	Isotope_Atom_Count	0
71890	XLogP3-AA	1.6
9799	Exact_Mass	394.21555225
17986197	Structure_Complexity	156
231010	Molecular_Weight	263.29
8878	Undefined_Bond_Stereo_Count	0
5282706	Defined_Atom_Stereo_Count	0
135398645	Isotope_Atom_Count	0
4830	Covalent_Unit_Count	1
10560336	Structure_Complexity	152
23436	Exact_Mass	204.0341926
11199915	Mono_Isotopic_Weight	382.18925731
13639781	Molecular_Weight	107.11
1094	Tautomer_Count	1
94915	Defined_Bond_Stereo_Count	0
145721395	Molecular_Weight	840.3
726370	Mono_Isotopic_Weight	322.17149925
6921	Structure_Complexity	132
66679	Hydrogen_Bond_Donor_Count	0
88154	TPSA	60.7
18377249	TPSA	26
6112	Undefined_Atom_Stereo_Count	0
95542	Total_Formal_Charge	0
1354	Structure_Complexity	246
4205037	Rotatable_Bond_Count	13
6509870	Covalent_Unit_Count	1
79025	Molecular_Weight	180.16
2347	Hydrogen_Bond_Donor_Count	0
18689	Undefined_Bond_Stereo_Count	0
132277694	Total_Formal_Charge	0
216269	Total_Formal_Charge	0
90943885	Exact_Mass	110.109550447
29455	Isotope_Atom_Count	0
128600	Defined_Bond_Stereo_Count	0
418940	Non-hydrogen_Atom_Count	20
23672566	Covalent_Unit_Count	2
91447	Undefined_Bond_Stereo_Count	0
2336	Defined_Atom_Stereo_Count	0
818	Total_Formal_Charge	0
5355751	Tautomer_Count	8
231405	Isotope_Atom_Count	0
74440	Defined_Bond_Stereo_Count	0
2468	Total_Formal_Charge	0
10801933	Undefined_Bond_Stereo_Count	0
27552	Covalent_Unit_Count	1
71470	Mono_Isotopic_Weight	518.26798174
23153	Defined_Bond_Stereo_Count	0
161929	Hydrogen_Bond_Acceptor_Count	1
12310946	Hydrogen_Bond_Acceptor_Count	0
3955344	Hydrogen_Bond_Donor_Count	2
11513733	Covalent_Unit_Count	1
13348002	Undefined_Bond_Stereo_Count	0
18101	Total_Formal_Charge	0
81512	Hydrogen_Bond_Acceptor_Count	2
100308	Exact_Mass	338.89287
146868632	Hydrogen_Bond_Acceptor_Count	2
4829	Undefined_Atom_Stereo_Count	1
4463	Undefined_Atom_Stereo_Count	0
160230029	XLogP3-AA	0.8
88553883	Structure_Complexity	108
22522	Covalent_Unit_Count	1
6360	Structure_Complexity	4.8
58453	Hydrogen_Bond_Donor_Count	1
139585852	TPSA	60.9
3251	Undefined_Bond_Stereo_Count	0
68604	Hydrogen_Bond_Donor_Count	0
35949	Total_Formal_Charge	0
3086576	TPSA	64.6
53837146	Rotatable_Bond_Count	3
22206	Hydrogen_Bond_Donor_Count	2
14577976	Undefined_Bond_Stereo_Count	0
49436	Structure_Complexity	259
1342	Molecular_Weight	212.29
1331	Total_Formal_Charge	0
68324677	Defined_Atom_Stereo_Count	1
9106	Total_Formal_Charge	0
54307	Non-hydrogen_Atom_Count	18
11262	Defined_Bond_Stereo_Count	0
6429604	Isotope_Atom_Count	0
61896	Isotope_Atom_Count	0
12358851	Exact_Mass	243.08552052
413538	Total_Formal_Charge	0
138125	Exact_Mass	84.093900383
69393	Molecular_Weight	70.09
2228691	Rotatable_Bond_Count	7
68489225	Hydrogen_Bond_Acceptor_Count	6
130013569	Non-hydrogen_Atom_Count	8
1878	Defined_Bond_Stereo_Count	0
21497	XLogP3-AA	0.1
6408	TPSA	0
87784	Mono_Isotopic_Weight	161.058911855
9960569	Defined_Atom_Stereo_Count	0
5459377	Molecular_Weight	677.9
672296	Isotope_Atom_Count	0
10105	Mono_Isotopic_Weight	188.14124450
144525	Exact_Mass	110.073164938
124600	Structure_Complexity	324
46193082	Hydrogen_Bond_Acceptor_Count	0
68157	Structure_Complexity	50.9
149519	Non-hydrogen_Atom_Count	26
11430856	Undefined_Atom_Stereo_Count	0
70695705	Covalent_Unit_Count	1
91322204	XLogP3-AA	1.2
447378	Defined_Bond_Stereo_Count	0
65079	Covalent_Unit_Count	1
22481042	Undefined_Bond_Stereo_Count	0
11440492	Total_Formal_Charge	0
223578	Defined_Atom_Stereo_Count	0
140071	Total_Formal_Charge	0
88705879	TPSA	46.2
4513	Defined_Atom_Stereo_Count	0
92386	Exact_Mass	248.14124450
3571	Undefined_Bond_Stereo_Count	0
5357696	Mono_Isotopic_Weight	84.91178974
501	Total_Formal_Charge	0
398737	Molecular_Weight	284.40
634876	Covalent_Unit_Count	1
6746	Exact_Mass	412.370516150
60988	Defined_Bond_Stereo_Count	0
7940	Total_Formal_Charge	0
21930812	Rotatable_Bond_Count	2
759	Undefined_Atom_Stereo_Count	21
84661	Hydrogen_Bond_Donor_Count	0
5369	XLogP3-AA	4
12479	Undefined_Atom_Stereo_Count	0
122	Tautomer_Count	8
119084740	Undefined_Atom_Stereo_Count	0
76469	Structure_Complexity	250
110789	XLogP3-AA	2.1
23664361	Hydrogen_Bond_Donor_Count	3
66703	Undefined_Atom_Stereo_Count	0
19830380	TPSA	60.7
24847750	Rotatable_Bond_Count	1
58154	Rotatable_Bond_Count	4
6971033	Rotatable_Bond_Count	2
793	Isotope_Atom_Count	0
60815	Mono_Isotopic_Weight	376.19982200
86882	TPSA	26.3
117890905	Defined_Bond_Stereo_Count	0
99456	Rotatable_Bond_Count	0
39860873	Defined_Atom_Stereo_Count	0
287983	Undefined_Bond_Stereo_Count	0
31195	Isotope_Atom_Count	0
14647	Undefined_Bond_Stereo_Count	0
9808844	Rotatable_Bond_Count	6
74267	Non-hydrogen_Atom_Count	28
71587897	TPSA	124
5158	TPSA	431
11704019	Structure_Complexity	486
91465	XLogP3-AA	9.4
28697	Undefined_Bond_Stereo_Count	0
17473	Defined_Atom_Stereo_Count	9
71759	TPSA	48.9
13012673	Covalent_Unit_Count	1
68549	Defined_Bond_Stereo_Count	0
8330	Hydrogen_Bond_Acceptor_Count	2
57345537	XLogP3-AA	1.6
6922	Hydrogen_Bond_Donor_Count	1
24714	Hydrogen_Bond_Donor_Count	6
41020	Non-hydrogen_Atom_Count	30
123620036	Isotope_Atom_Count	0
69834	Molecular_Weight	109.17
233085	Non-hydrogen_Atom_Count	25
9949641	Undefined_Atom_Stereo_Count	0
12167465	Mono_Isotopic_Weight	182.98693043
25058197	Exact_Mass	223.1127773
8035	Hydrogen_Bond_Acceptor_Count	2
91003779	XLogP3-AA	1.1
78422631	Hydrogen_Bond_Acceptor_Count	2
148350	Hydrogen_Bond_Donor_Count	0
1443	Molecular_Weight	318.4
24848788	Defined_Atom_Stereo_Count	0
11957696	Mono_Isotopic_Weight	439.13582
27124	Exact_Mass	318.136827821
69674285	Molecular_Weight	112.17
358996	Undefined_Bond_Stereo_Count	0
163591174	Non-hydrogen_Atom_Count	7
188966	Total_Formal_Charge	0
2724951	Hydrogen_Bond_Acceptor_Count	2
11058021	Undefined_Atom_Stereo_Count	0
6537498	Structure_Complexity	188
10909490	Undefined_Atom_Stereo_Count	0
123892631	TPSA	37.3
129865974	Rotatable_Bond_Count	22
3114	Isotope_Atom_Count	0
11154544	Hydrogen_Bond_Donor_Count	2
440122	TPSA	247
88269064	Molecular_Weight	113.11
129693502	Defined_Bond_Stereo_Count	0
17195	Undefined_Atom_Stereo_Count	0
12695899	Rotatable_Bond_Count	0
57215030	Hydrogen_Bond_Acceptor_Count	1
2564	Structure_Complexity	267
135456058	Isotope_Atom_Count	0
24871512	Rotatable_Bond_Count	3
71209	Total_Formal_Charge	0
27826	Undefined_Bond_Stereo_Count	0
69558	Defined_Atom_Stereo_Count	0
18048	TPSA	20.2
84975	Structure_Complexity	40.2
44414678	Undefined_Bond_Stereo_Count	0
1050	Mono_Isotopic_Weight	167.058243149
3528	Exact_Mass	670.42333957
5281227	Hydrogen_Bond_Acceptor_Count	2
67711	Hydrogen_Bond_Acceptor_Count	2
23666342	Covalent_Unit_Count	2
69333790	Mono_Isotopic_Weight	113.058911855
10061	Hydrogen_Bond_Donor_Count	2
8351	Undefined_Atom_Stereo_Count	0
5280460	Isotope_Atom_Count	0
34837	Defined_Bond_Stereo_Count	0
71334656	Structure_Complexity	156
49091	Defined_Atom_Stereo_Count	0
11115809	Structure_Complexity	2110
12927948	Total_Formal_Charge	0
20056978	Defined_Atom_Stereo_Count	2
42207	Molecular_Weight	543.1
71739	Mono_Isotopic_Weight	298.168127949
133169	Mono_Isotopic_Weight	294.11033829
56670168	Rotatable_Bond_Count	5
72493	Structure_Complexity	1090
51971	Molecular_Weight	284.4
53754520	Covalent_Unit_Count	1
7068	TPSA	117
53906657	Hydrogen_Bond_Acceptor_Count	2
54766	TPSA	91.3
415	Mono_Isotopic_Weight	192.089877630
71494926	Exact_Mass	844.32837076
1765	Defined_Bond_Stereo_Count	0
68019	Mono_Isotopic_Weight	206.0638410
135566433	Defined_Atom_Stereo_Count	0
8165	Covalent_Unit_Count	1
77757	Isotope_Atom_Count	0
9795291	Mono_Isotopic_Weight	265.09866828
58536	Rotatable_Bond_Count	3
130659	Undefined_Atom_Stereo_Count	0
25799	Covalent_Unit_Count	1
7707	Total_Formal_Charge	0
6974	Defined_Bond_Stereo_Count	0
66601	TPSA	54.4
67656161	Total_Formal_Charge	0
130904	Mono_Isotopic_Weight	475.27225866
57992122	Hydrogen_Bond_Acceptor_Count	4
133667882	Isotope_Atom_Count	0
18324177	Defined_Atom_Stereo_Count	0
84088	Undefined_Atom_Stereo_Count	0
9841240	Undefined_Bond_Stereo_Count	0
418940	Defined_Bond_Stereo_Count	0
13991585	Defined_Bond_Stereo_Count	1
12295520	Defined_Bond_Stereo_Count	0
3001055	Molecular_Weight	314.41
2733532	Hydrogen_Bond_Acceptor_Count	6
56666742	TPSA	108
984396	Hydrogen_Bond_Donor_Count	2
1810216	Defined_Bond_Stereo_Count	0
5230729	Structure_Complexity	262
15166013	Mono_Isotopic_Weight	112.074896272
12637126	Mono_Isotopic_Weight	113.047678466
21887872	Mono_Isotopic_Weight	82.0185425
127036660	Total_Formal_Charge	0
79875564	Undefined_Atom_Stereo_Count	0
19004	Undefined_Atom_Stereo_Count	1
451156	Undefined_Bond_Stereo_Count	0
16213080	Molecular_Weight	500.12
53846421	TPSA	60.7
460516	Non-hydrogen_Atom_Count	17
11814656	XLogP3-AA	5.5
8042	Defined_Atom_Stereo_Count	0
55480	Molecular_Weight	282.81
6440900	TPSA	66.8
49769064	Defined_Atom_Stereo_Count	10
13253262	Isotope_Atom_Count	0
10558611	Molecular_Weight	120.11
11659487	Molecular_Weight	304.4
57458911	Structure_Complexity	364
198382	Total_Formal_Charge	0
55004	Structure_Complexity	63.3
2724372	Exact_Mass	294.173213330
9955951	Molecular_Weight	461.5
30107	Covalent_Unit_Count	1
85859507	Mono_Isotopic_Weight	115.063328530
1100	Rotatable_Bond_Count	0
430245	TPSA	61.7
152257	Mono_Isotopic_Weight	201.151749610
93804	Molecular_Weight	608.3
16005120	Hydrogen_Bond_Acceptor_Count	1
75846	TPSA	76.4
15174357	Molecular_Weight	114.19
3604	Mono_Isotopic_Weight	202.240898965
18980923	Non-hydrogen_Atom_Count	7
245	Hydrogen_Bond_Acceptor_Count	11
462919	Defined_Atom_Stereo_Count	0
6924	Undefined_Bond_Stereo_Count	0
5284371	Rotatable_Bond_Count	1
79322731	XLogP3-AA	1.1
123725105	Defined_Atom_Stereo_Count	0
159324	Isotope_Atom_Count	0
14852098	Rotatable_Bond_Count	2
18622368	Exact_Mass	113.058911855
11294	Exact_Mass	364.1706265
49769064	Total_Formal_Charge	0
131966078	Defined_Bond_Stereo_Count	0
90944184	Exact_Mass	94.016712692
11829	Covalent_Unit_Count	1
100380	Rotatable_Bond_Count	1
21979976	Total_Formal_Charge	0
90432	Isotope_Atom_Count	0
638759	Defined_Atom_Stereo_Count	0
148013616	Hydrogen_Bond_Donor_Count	2
5363095	Covalent_Unit_Count	1
3082754	Undefined_Bond_Stereo_Count	0
9805	Covalent_Unit_Count	1
22203	Hydrogen_Bond_Acceptor_Count	5
101508194	Defined_Bond_Stereo_Count	0
35768	Hydrogen_Bond_Acceptor_Count	0
12625760	Mono_Isotopic_Weight	98.073164938
23387261	Molecular_Weight	112.17
17151	Defined_Atom_Stereo_Count	0
9388	TPSA	42.5
752646	TPSA	110
6473767	Hydrogen_Bond_Acceptor_Count	13
126755973	Hydrogen_Bond_Acceptor_Count	2
38310	Defined_Bond_Stereo_Count	0
135398508	Defined_Bond_Stereo_Count	0
5572	Hydrogen_Bond_Donor_Count	1
24838	Hydrogen_Bond_Donor_Count	0
6790	Mono_Isotopic_Weight	223.03031432
57387	TPSA	74.8
10485	Hydrogen_Bond_Donor_Count	0
9818287	Covalent_Unit_Count	1
86398	Rotatable_Bond_Count	1
185588	Covalent_Unit_Count	1
123237074	TPSA	20.2
67643801	Defined_Bond_Stereo_Count	0
188914	Structure_Complexity	212
91759	Isotope_Atom_Count	0
85141	Mono_Isotopic_Weight	185.96803
81397	Hydrogen_Bond_Donor_Count	1
20387201	Defined_Atom_Stereo_Count	0
54740	Structure_Complexity	475
5478817	Mono_Isotopic_Weight	171.945894
10221470	Molecular_Weight	284.35
287180	TPSA	70.5
82336	Isotope_Atom_Count	0
23306082	Structure_Complexity	410
12536	Undefined_Atom_Stereo_Count	4
85787089	Non-hydrogen_Atom_Count	8
19845539	Hydrogen_Bond_Acceptor_Count	3
78000	Defined_Atom_Stereo_Count	3
60154330	Covalent_Unit_Count	1
93279	Defined_Bond_Stereo_Count	0
25015694	Hydrogen_Bond_Acceptor_Count	8
34698	Covalent_Unit_Count	1
60285	Covalent_Unit_Count	1
61103	Rotatable_Bond_Count	0
170254	Total_Formal_Charge	0
11008865	Molecular_Weight	196.29
1800	Hydrogen_Bond_Donor_Count	3
90305308	Undefined_Bond_Stereo_Count	0
440735	Undefined_Atom_Stereo_Count	0
9963516	TPSA	60.7
57548589	Isotope_Atom_Count	0
10138980	Structure_Complexity	730
44599828	Hydrogen_Bond_Acceptor_Count	4
59324	Hydrogen_Bond_Donor_Count	2
11763533	Non-hydrogen_Atom_Count	37
54676038	Exact_Mass	336.06338810
161091	Undefined_Atom_Stereo_Count	0
921599	Exact_Mass	229.121512110
10215932	Hydrogen_Bond_Acceptor_Count	7
637584	Isotope_Atom_Count	0
73922	Exact_Mass	257.95277
83134	Mono_Isotopic_Weight	223.10558726
518760	XLogP3-AA	2.5
309734	TPSA	29.1
235414	Total_Formal_Charge	0
5353	Structure_Complexity	368
680036	Undefined_Atom_Stereo_Count	0
81358402	Non-hydrogen_Atom_Count	8
11950726	Isotope_Atom_Count	0
69132	Defined_Atom_Stereo_Count	0
3843	Exact_Mass	495.17942091
31005	Undefined_Atom_Stereo_Count	2
443046	Undefined_Atom_Stereo_Count	3
57485872	Defined_Atom_Stereo_Count	0
3206	Undefined_Bond_Stereo_Count	0
54340209	Rotatable_Bond_Count	1
9897412	Structure_Complexity	1370
129800133	Hydrogen_Bond_Donor_Count	0
9845837	Covalent_Unit_Count	1
176170	Exact_Mass	249.00006
2322334	XLogP3-AA	4
3083	Non-hydrogen_Atom_Count	37
3724921	Rotatable_Bond_Count	3
157882	Total_Formal_Charge	0
18469536	Hydrogen_Bond_Acceptor_Count	9
2318095	Isotope_Atom_Count	0
54388248	Undefined_Atom_Stereo_Count	1
294864	Rotatable_Bond_Count	1
445091	Hydrogen_Bond_Acceptor_Count	4
13743	Molecular_Weight	271.27
70106	XLogP3-AA	1.3
51358375	Rotatable_Bond_Count	19
169005	Undefined_Bond_Stereo_Count	0
18324766	Non-hydrogen_Atom_Count	7
6419957	Hydrogen_Bond_Donor_Count	30
10413	Non-hydrogen_Atom_Count	7
53432920	Mono_Isotopic_Weight	96.093900383
118210452	Isotope_Atom_Count	0
66425	Exact_Mass	286.193280068
9817550	Undefined_Bond_Stereo_Count	0
865974	Undefined_Bond_Stereo_Count	0
11137085	Undefined_Bond_Stereo_Count	0
153380590	Defined_Bond_Stereo_Count	0
44263854	Structure_Complexity	525
66828839	Total_Formal_Charge	0
409350	Covalent_Unit_Count	1
46937085	Mono_Isotopic_Weight	433.23654186
33539	Undefined_Atom_Stereo_Count	4
10877967	Hydrogen_Bond_Donor_Count	0
34696	Non-hydrogen_Atom_Count	8
71462102	TPSA	62.2
75496	Tautomer_Count	1
20979505	Hydrogen_Bond_Donor_Count	0
9556529	Defined_Atom_Stereo_Count	0
3000825	Molecular_Weight	324.4
15671	Structure_Complexity	662
21805409	Mono_Isotopic_Weight	104.094963011
54712667	Total_Formal_Charge	0
16134267	XLogP3-AA	6.2
62479	XLogP3-AA	1
15909	Molecular_Weight	146.19
8882	Rotatable_Bond_Count	0
3085877	Structure_Complexity	227
20472042	Exact_Mass	140.047344113
95295	Defined_Bond_Stereo_Count	0
4235600	Isotope_Atom_Count	0
9579050	Undefined_Bond_Stereo_Count	0
13283	Non-hydrogen_Atom_Count	17
13428	Exact_Mass	260.873189
13364	Undefined_Atom_Stereo_Count	0
3303	Exact_Mass	313.16779360
118855904	Rotatable_Bond_Count	1
9953	Hydrogen_Bond_Donor_Count	2
53245646	XLogP3-AA	3.1
154515561	Covalent_Unit_Count	1
9844225	TPSA	65.1
53481477	Hydrogen_Bond_Acceptor_Count	5
8679	Mono_Isotopic_Weight	219.104799419
118797622	Non-hydrogen_Atom_Count	12
11648276	XLogP3-AA	5.3
7608	Covalent_Unit_Count	1
136880	Structure_Complexity	47.6
21721513	XLogP3-AA	1.9
93833	Exact_Mass	515.72168
7837	Defined_Atom_Stereo_Count	0
4996	Undefined_Atom_Stereo_Count	0
503327	Defined_Bond_Stereo_Count	0
4714	Defined_Atom_Stereo_Count	0
2723631	Rotatable_Bond_Count	0
19460	TPSA	0
15213038	Undefined_Atom_Stereo_Count	2
53401856	Defined_Atom_Stereo_Count	0
57393451	XLogP3-AA	4.5
23270355	TPSA	20.2
535819	Total_Formal_Charge	0
6855	Hydrogen_Bond_Acceptor_Count	3
11344002	Defined_Bond_Stereo_Count	0
537329	Undefined_Atom_Stereo_Count	1
449101	Undefined_Bond_Stereo_Count	0
12468309	Non-hydrogen_Atom_Count	8
75357255	Rotatable_Bond_Count	1
5362420	Defined_Bond_Stereo_Count	0
6604413	Mono_Isotopic_Weight	337.24393591
11554076	Structure_Complexity	755
12413939	Rotatable_Bond_Count	2
10475	Molecular_Weight	133.886
20067321	Defined_Atom_Stereo_Count	0
44445686	Molecular_Weight	416.6
54690031	Hydrogen_Bond_Acceptor_Count	7
71737801	Isotope_Atom_Count	0
450772	Hydrogen_Bond_Acceptor_Count	5
53304446	Total_Formal_Charge	0
5394	Non-hydrogen_Atom_Count	14
26576	TPSA	50.8
192435	TPSA	190
221292	Structure_Complexity	116
409438	Non-hydrogen_Atom_Count	12
24807614	Non-hydrogen_Atom_Count	53
44571098	Molecular_Weight	462.9
16051696	Molecular_Weight	393.5
54392998	Isotope_Atom_Count	0
53320294	TPSA	51.7
67615455	TPSA	110
7559	Non-hydrogen_Atom_Count	11
3029012	Molecular_Weight	181.19
13885286	Covalent_Unit_Count	1
134820051	Defined_Atom_Stereo_Count	0
112029	Undefined_Atom_Stereo_Count	1
68979856	Hydrogen_Bond_Acceptor_Count	3
53977	Molecular_Weight	1162.8
30819	Total_Formal_Charge	0
71335300	TPSA	12.5
10297	Defined_Bond_Stereo_Count	0
7656	Rotatable_Bond_Count	4
12492	Rotatable_Bond_Count	3
60078648	Defined_Bond_Stereo_Count	0
6545	Defined_Atom_Stereo_Count	0
4731	Covalent_Unit_Count	1
11394	Total_Formal_Charge	0
6437380	Isotope_Atom_Count	0
94398	Defined_Atom_Stereo_Count	0
13583	TPSA	26
262	Undefined_Atom_Stereo_Count	2
89735852	Defined_Atom_Stereo_Count	6
13069	Total_Formal_Charge	0
3393	Non-hydrogen_Atom_Count	27
6316	Isotope_Atom_Count	0
62705689	Undefined_Bond_Stereo_Count	0
30981	Defined_Bond_Stereo_Count	0
412736	Rotatable_Bond_Count	6
24180972	Molecular_Weight	505.3
118210492	Hydrogen_Bond_Donor_Count	0
139079243	Defined_Atom_Stereo_Count	0
69578	Covalent_Unit_Count	1
6604122	Exact_Mass	376.16343649
54871	Covalent_Unit_Count	2
1095	Defined_Bond_Stereo_Count	0
688378	XLogP3-AA	0.3
7248	Mono_Isotopic_Weight	121.089149355
28204	Structure_Complexity	578
584645	Molecular_Weight	302.3
11710	Structure_Complexity	71
11574638	Defined_Bond_Stereo_Count	0
908	Undefined_Bond_Stereo_Count	0
3356829	Defined_Atom_Stereo_Count	0
44183	Tautomer_Count	1
15629522	Hydrogen_Bond_Acceptor_Count	2
11423559	Tautomer_Count	1
129774195	Total_Formal_Charge	0
87985	TPSA	26.3
71384614	TPSA	66.8
79798	Undefined_Atom_Stereo_Count	0
1731	Hydrogen_Bond_Donor_Count	2
3001662	Rotatable_Bond_Count	4
87517	XLogP3-AA	3
9872780	Rotatable_Bond_Count	8
135437285	Isotope_Atom_Count	0
57780614	Defined_Bond_Stereo_Count	0
23663985	Isotope_Atom_Count	0
66826	Total_Formal_Charge	0
57238241	Molecular_Weight	92.14
16757521	Defined_Atom_Stereo_Count	5
25015692	Undefined_Bond_Stereo_Count	0
66587385	Total_Formal_Charge	0
3152	Exact_Mass	379.21474379
10953456	TPSA	22.4
60652	Defined_Atom_Stereo_Count	0
10931397	TPSA	34.5
17235	Exact_Mass	310.287180451
76118878	Structure_Complexity	127
4884	Covalent_Unit_Count	1
99271	Covalent_Unit_Count	1
148140	Exact_Mass	161.084063974
11326126	Undefined_Atom_Stereo_Count	0
385	Isotope_Atom_Count	0
129681809	Structure_Complexity	225
282518	Undefined_Bond_Stereo_Count	0
23324969	Molecular_Weight	94.15
89518758	Structure_Complexity	382
81850	Undefined_Atom_Stereo_Count	0
9957535	Isotope_Atom_Count	0
58308035	Defined_Atom_Stereo_Count	0
122670	Molecular_Weight	159.19
5287468	Exact_Mass	526.18860586
15448	XLogP3	4.5
87671146	Hydrogen_Bond_Donor_Count	0
31736	Defined_Atom_Stereo_Count	0
5289295	XLogP3-AA	2.3
16211656	Exact_Mass	235.9804853
12257272	Defined_Bond_Stereo_Count	0
20884	Tautomer_Count	1
6316	Tautomer_Count	1
73920	Covalent_Unit_Count	1
91696	Total_Formal_Charge	0
11027	Structure_Complexity	207
86388	Non-hydrogen_Atom_Count	25
5281616	Rotatable_Bond_Count	1
84589	Undefined_Bond_Stereo_Count	0
12310714	Undefined_Atom_Stereo_Count	1
57484773	TPSA	0
124019740	Covalent_Unit_Count	1
943	Rotatable_Bond_Count	0
9570985	Molecular_Weight	598.6
1941	Non-hydrogen_Atom_Count	26
6337	Tautomer_Count	1
20240	Exact_Mass	194.094294304
13625	Hydrogen_Bond_Donor_Count	1
388136	Rotatable_Bond_Count	1
14256301	XLogP3-AA	0.9
441345	Mono_Isotopic_Weight	427.1550360
5283381	XLogP3-AA	7.2
851045	Structure_Complexity	402
16211409	Tautomer_Count	1
304590	Undefined_Atom_Stereo_Count	0
46631	XLogP3-AA	1.3
97780	Structure_Complexity	164
52922056	Undefined_Atom_Stereo_Count	0
118797455	Undefined_Atom_Stereo_Count	6
44629600	Rotatable_Bond_Count	12
8101	Defined_Bond_Stereo_Count	0
45116667	Undefined_Atom_Stereo_Count	0
107949	Total_Formal_Charge	0
21123938	Rotatable_Bond_Count	2
10289038	Exact_Mass	491.23212518
8268	Hydrogen_Bond_Acceptor_Count	1
13507024	XLogP3-AA	2.7
54539471	Covalent_Unit_Count	1
40537366	Mono_Isotopic_Weight	350.235813585
171995	Covalent_Unit_Count	3
22643188	Covalent_Unit_Count	1
33014	Non-hydrogen_Atom_Count	22
1150567	Covalent_Unit_Count	1
656657	Defined_Atom_Stereo_Count	1
87495646	Total_Formal_Charge	0
47217	Defined_Bond_Stereo_Count	0
13276908	Exact_Mass	97.052763847
21998472	Covalent_Unit_Count	1
16005120	Isotope_Atom_Count	0
3034047	Total_Formal_Charge	0
69288	Isotope_Atom_Count	0
101621557	Hydrogen_Bond_Acceptor_Count	3
23757	Molecular_Weight	385.4
12412266	Undefined_Bond_Stereo_Count	0
154083	Non-hydrogen_Atom_Count	18
86278352	Tautomer_Count	12
54705095	Defined_Atom_Stereo_Count	6
72187525	Hydrogen_Bond_Donor_Count	0
38464	XLogP3-AA	2.3
17884104	Isotope_Atom_Count	0
16162116	Hydrogen_Bond_Donor_Count	42
53731118	Covalent_Unit_Count	1
141336344	Molecular_Weight	114.14
9898827	Exact_Mass	127.063328530
8123	XLogP3-AA	8
25203302	Mono_Isotopic_Weight	291.83707
657073	Defined_Bond_Stereo_Count	0
5507	Undefined_Atom_Stereo_Count	0
6422	Defined_Bond_Stereo_Count	0
46936821	TPSA	228
441401	Molecular_Weight	337.35
5367706	Hydrogen_Bond_Acceptor_Count	2
6996	Molecular_Weight	140.56
44431171	XLogP3-AA	2.6
71452498	Exact_Mass	535.12133477
49865859	XLogP3-AA	3.5
159324	Tautomer_Count	1
11569158	Hydrogen_Bond_Donor_Count	1
3489	XLogP3	2.5
10126081	Exact_Mass	354.18939187
15209807	Undefined_Bond_Stereo_Count	0
59630	Undefined_Atom_Stereo_Count	2
144021791	Non-hydrogen_Atom_Count	8
59446219	Non-hydrogen_Atom_Count	47
41088	Exact_Mass	162.125594432
55113	Undefined_Atom_Stereo_Count	0
152932	Undefined_Bond_Stereo_Count	0
141411141	Rotatable_Bond_Count	0
148362624	XLogP3-AA	0.9
26696	Covalent_Unit_Count	1
9549904	Hydrogen_Bond_Donor_Count	7
135430970	Defined_Bond_Stereo_Count	0
565251	Undefined_Atom_Stereo_Count	3
148573599	Undefined_Atom_Stereo_Count	0
449281	Mono_Isotopic_Weight	607.10531
50295	Hydrogen_Bond_Acceptor_Count	8
5893	Undefined_Atom_Stereo_Count	0
101642132	Structure_Complexity	90.4
78352	Molecular_Weight	483.0
701621	Mono_Isotopic_Weight	329.08634960
3392460	Isotope_Atom_Count	0
59665343	Isotope_Atom_Count	0
27519	Covalent_Unit_Count	1
10560335	Defined_Atom_Stereo_Count	0
50937	Total_Formal_Charge	0
12699282	TPSA	9.2
22023476	Total_Formal_Charge	0
100156	Isotope_Atom_Count	0
162349	Tautomer_Count	1
10610	XLogP3-AA	3.3
24871329	Structure_Complexity	533
64696	Hydrogen_Bond_Donor_Count	2
18032	Hydrogen_Bond_Acceptor_Count	6
533	Molecular_Weight	80.99
101606430	XLogP3-AA	7.3
69430	Undefined_Atom_Stereo_Count	0
12497562	Defined_Bond_Stereo_Count	0
129712967	Defined_Bond_Stereo_Count	0
88142236	Covalent_Unit_Count	1
10478	Mono_Isotopic_Weight	152.90755
75840	Hydrogen_Bond_Donor_Count	2
544861	Non-hydrogen_Atom_Count	7
12563	Tautomer_Count	1
522390	Structure_Complexity	34.8
642661	Defined_Atom_Stereo_Count	0
58488970	Defined_Atom_Stereo_Count	0
47319	Molecular_Weight	929.1
124524515	Exact_Mass	342.11621151
9020	Covalent_Unit_Count	3
5284551	Isotope_Atom_Count	0
1281	Isotope_Atom_Count	0
23034	Undefined_Bond_Stereo_Count	0
71361084	Hydrogen_Bond_Donor_Count	1
16318	Mono_Isotopic_Weight	493.688527
5486194	Rotatable_Bond_Count	8
7436	Isotope_Atom_Count	0
11829369	Hydrogen_Bond_Donor_Count	0
73879	Hydrogen_Bond_Acceptor_Count	0
55261	Non-hydrogen_Atom_Count	9
4927	Exact_Mass	284.13471982
2893	Molecular_Weight	276.4
11167602	Rotatable_Bond_Count	5
79178156	Molecular_Weight	100.12
2733526	Molecular_Weight	371.5
11534927	XLogP3-AA	2.5
36690486	XLogP3	4.6
6398969	Isotope_Atom_Count	0
53806232	Undefined_Bond_Stereo_Count	1
704754	Rotatable_Bond_Count	3
16667700	Covalent_Unit_Count	2
14082	Tautomer_Count	1
497380	Defined_Bond_Stereo_Count	0
36405	Isotope_Atom_Count	0
70339927	Hydrogen_Bond_Acceptor_Count	2
65072	Tautomer_Count	3
5308	Defined_Atom_Stereo_Count	0
12817963	Hydrogen_Bond_Donor_Count	1
221881	TPSA	18.5
6433208	Structure_Complexity	509
12630477	Rotatable_Bond_Count	0
10291131	Structure_Complexity	382
23724556	Undefined_Atom_Stereo_Count	7
6954	Hydrogen_Bond_Acceptor_Count	7
118459248	Molecular_Weight	342.30
124224930	Undefined_Bond_Stereo_Count	0
21889836	Molecular_Weight	679.8
5356785	Defined_Atom_Stereo_Count	0
139244568	Rotatable_Bond_Count	2
3237289	TPSA	66.1
667468	Undefined_Bond_Stereo_Count	0
2303	Undefined_Atom_Stereo_Count	1
9300	Undefined_Bond_Stereo_Count	0
9536	Defined_Atom_Stereo_Count	0
11029	Mono_Isotopic_Weight	83.9697855
135411	Exact_Mass	398.18819469
148201	Undefined_Atom_Stereo_Count	0
12449	Exact_Mass	482.22392874
17198	TPSA	55.8
5140	Molecular_Weight	392.5
30951	Exact_Mass	226.0396719
684	Covalent_Unit_Count	1
15189027	Rotatable_Bond_Count	1
161664	Undefined_Atom_Stereo_Count	0
155903168	Non-hydrogen_Atom_Count	61
31767	Covalent_Unit_Count	1
94948	Undefined_Atom_Stereo_Count	0
62719	Exact_Mass	218.13382109
261668	Hydrogen_Bond_Donor_Count	0
16822	Undefined_Atom_Stereo_Count	0
7934	Defined_Atom_Stereo_Count	0
38945	XLogP3	0.8
11625818	Defined_Atom_Stereo_Count	1
39230	Undefined_Bond_Stereo_Count	0
442294	Total_Formal_Charge	0
71458868	TPSA	90.6
166558	Mono_Isotopic_Weight	501.29128003
8970	Exact_Mass	334.21440943
70717	Molecular_Weight	113.11
486543	Exact_Mass	589.32239674
13643838	Defined_Bond_Stereo_Count	0
67899	Rotatable_Bond_Count	0
20279764	Mono_Isotopic_Weight	112.125200510
130443213	Covalent_Unit_Count	1
72758138	Non-hydrogen_Atom_Count	32
3200	Structure_Complexity	239
521076	Exact_Mass	100.088815002
11867	Total_Formal_Charge	0
59110799	Defined_Bond_Stereo_Count	0
58411	Covalent_Unit_Count	2
11379	Molecular_Weight	144.17
28145931	Non-hydrogen_Atom_Count	27
11601669	Total_Formal_Charge	0
21026	Non-hydrogen_Atom_Count	11
59736263	TPSA	63.8
135738681	Total_Formal_Charge	0
28566812	Defined_Bond_Stereo_Count	0
67108485	TPSA	21.3
4556055	TPSA	55.7
69027241	Structure_Complexity	137
16987	Molecular_Weight	252.61
5354626	Molecular_Weight	350.5
25171662	Defined_Bond_Stereo_Count	0
148449100	Undefined_Atom_Stereo_Count	2
71432895	Hydrogen_Bond_Donor_Count	1
9925908	Molecular_Weight	286.37
52949543	Hydrogen_Bond_Acceptor_Count	8
3058839	XLogP3-AA	3
9569	Undefined_Atom_Stereo_Count	9
62530	Exact_Mass	206.167065321
6921	Total_Formal_Charge	0
54686350	Molecular_Weight	241.28
68862	Covalent_Unit_Count	1
49865973	XLogP3-AA	2.7
129689385	Undefined_Atom_Stereo_Count	0
5362712	Tautomer_Count	1
70308	XLogP3	3
12724530	Total_Formal_Charge	0
108078	Covalent_Unit_Count	1
5466987	Undefined_Atom_Stereo_Count	2
71309208	TPSA	0
23689390	Defined_Bond_Stereo_Count	0
53896476	Hydrogen_Bond_Donor_Count	0
8883	Undefined_Bond_Stereo_Count	0
14118154	Defined_Atom_Stereo_Count	0
6078	Mono_Isotopic_Weight	379.2026549
7829	Molecular_Weight	230.30
143716909	Molecular_Weight	112.17
439286	XLogP3-AA	1.1
9606	Hydrogen_Bond_Donor_Count	0
163050684	Total_Formal_Charge	0
158698	Non-hydrogen_Atom_Count	32
2354	TPSA	137
273577	Exact_Mass	248.131348519
3229	Mono_Isotopic_Weight	320.12846858
5702237	Mono_Isotopic_Weight	317.11106656
47509	Mono_Isotopic_Weight	256.1090889
87171	Defined_Atom_Stereo_Count	0
35823	XLogP3	7.1
5282545	Total_Formal_Charge	0
5491930	Exact_Mass	78.00654193
34831	Total_Formal_Charge	0
47319	Tautomer_Count	1
29921593	Isotope_Atom_Count	0
72054	Hydrogen_Bond_Donor_Count	1
11215	Total_Formal_Charge	0
118	Molecular_Weight	87.12
53717135	Defined_Atom_Stereo_Count	0
5324776	Total_Formal_Charge	0
3773593	Defined_Atom_Stereo_Count	0
4369502	Isotope_Atom_Count	0
53896476	Hydrogen_Bond_Acceptor_Count	1
15541506	Undefined_Atom_Stereo_Count	0
15561851	TPSA	23.8
9846339	Defined_Atom_Stereo_Count	0
6908	XLogP3	4.6
12248528	Mono_Isotopic_Weight	112.016043985
139586220	TPSA	104
55285488	Non-hydrogen_Atom_Count	7
63045	Molecular_Weight	448.5
50	Total_Formal_Charge	0
154701779	Molecular_Weight	365.4
68668153	XLogP3-AA	2.1
2583	Defined_Atom_Stereo_Count	0
13083763	XLogP3-AA	1.4
129717505	Molecular_Weight	201.22
6418	Tautomer_Count	1
94777	Exact_Mass	257.10519334
6917874	Hydrogen_Bond_Acceptor_Count	17
6971003	Molecular_Weight	180.16
5280497	XLogP3-AA	3.4
13751953	Mono_Isotopic_Weight	108.032362755
409453	Hydrogen_Bond_Acceptor_Count	1
36750	Mono_Isotopic_Weight	341.19909372
17617	Tautomer_Count	1
193956	Isotope_Atom_Count	0
15065	Undefined_Bond_Stereo_Count	0
145874935	TPSA	110
122670	Total_Formal_Charge	0
9793696	Hydrogen_Bond_Acceptor_Count	2
11094545	Undefined_Bond_Stereo_Count	0
84098	Defined_Atom_Stereo_Count	0
69341027	Hydrogen_Bond_Donor_Count	2
445420	Non-hydrogen_Atom_Count	29
2999	XLogP3-AA	2.9
74066	Total_Formal_Charge	0
22201	Undefined_Atom_Stereo_Count	0
10197959	Isotope_Atom_Count	0
139081837	Molecular_Weight	367.4
49852291	Mono_Isotopic_Weight	412.1764997
1426	Non-hydrogen_Atom_Count	22
446541	Defined_Atom_Stereo_Count	0
55256	Tautomer_Count	3
649852	Defined_Atom_Stereo_Count	0
78962	Isotope_Atom_Count	0
6185	Hydrogen_Bond_Donor_Count	3
5497143	Hydrogen_Bond_Acceptor_Count	22
5743836	Exact_Mass	249.13649347
5311066	Molecular_Weight	416.5
44560703	Hydrogen_Bond_Donor_Count	2
84731066	Covalent_Unit_Count	1
57656729	Exact_Mass	414.1225460
12358497	Rotatable_Bond_Count	0
2319	Molecular_Weight	335.28
137997	XLogP3-AA	3.9
3480138	Non-hydrogen_Atom_Count	36
444036	Mono_Isotopic_Weight	500.18442974
637552	Total_Formal_Charge	0
125037258	Hydrogen_Bond_Donor_Count	8
23617705	Rotatable_Bond_Count	0
88889699	Rotatable_Bond_Count	0
389585	Hydrogen_Bond_Acceptor_Count	6
10428048	XLogP3-AA	5.5
20477345	Molecular_Weight	192.18
11319217	Structure_Complexity	1020
71814	Isotope_Atom_Count	0
23274077	Defined_Atom_Stereo_Count	0
9903970	Undefined_Bond_Stereo_Count	0
4969	Exact_Mass	331.14197277
6324616	Defined_Bond_Stereo_Count	3
26009888	Covalent_Unit_Count	1
119097373	Hydrogen_Bond_Donor_Count	1
53630039	Molecular_Weight	90.08
132367	Molecular_Weight	232.23
137017	Isotope_Atom_Count	0
21617751	Exact_Mass	113.084063974
118435360	Rotatable_Bond_Count	5
5282386	Exact_Mass	280.1706265
1344	Mono_Isotopic_Weight	114.115698455
71587637	Mono_Isotopic_Weight	425.06122
24405	Total_Formal_Charge	0
25429	Undefined_Bond_Stereo_Count	0
338085	Defined_Atom_Stereo_Count	0
8287	Mono_Isotopic_Weight	361.1618684
16760139	Defined_Bond_Stereo_Count	0
4986139	Mono_Isotopic_Weight	412.9658767
30489	Hydrogen_Bond_Acceptor_Count	1
9483	Rotatable_Bond_Count	1
669688	Total_Formal_Charge	0
108054	TPSA	1
24721009	Hydrogen_Bond_Donor_Count	2
19420003	Covalent_Unit_Count	1
2734236	Exact_Mass	218.04186
197	Structure_Complexity	638
11662332	Covalent_Unit_Count	1
9469	Undefined_Bond_Stereo_Count	0
6326288	Non-hydrogen_Atom_Count	8
135648979	Undefined_Atom_Stereo_Count	0
24556	Molecular_Weight	104.079
23092834	Defined_Atom_Stereo_Count	0
344793	Undefined_Atom_Stereo_Count	1
6992032	Tautomer_Count	3
12094059	Undefined_Atom_Stereo_Count	0
91168430	Defined_Bond_Stereo_Count	0
6917900	Hydrogen_Bond_Acceptor_Count	5
91411367	Defined_Atom_Stereo_Count	0
6917778	TPSA	46.3
10027278	XLogP3-AA	5.2
54598431	Rotatable_Bond_Count	0
71833	Exact_Mass	243.0662210
143047391	Undefined_Bond_Stereo_Count	0
58222505	XLogP3-AA	0.4
16722125	Mono_Isotopic_Weight	396.13953042
2123	Non-hydrogen_Atom_Count	15
13619723	Hydrogen_Bond_Acceptor_Count	1
166734	Total_Formal_Charge	0
7304	Exact_Mass	81.057849228
11254899	Structure_Complexity	156
123223196	Covalent_Unit_Count	1
7741	Mono_Isotopic_Weight	111.079647300
21893797	TPSA	12
38988396	Isotope_Atom_Count	0
139086359	Total_Formal_Charge	0
141343693	Undefined_Bond_Stereo_Count	0
20062226	Isotope_Atom_Count	0
10229498	Mono_Isotopic_Weight	511.932274
8400	Defined_Bond_Stereo_Count	0
2762892	Non-hydrogen_Atom_Count	8
14758064	Isotope_Atom_Count	0
42240	Exact_Mass	182.05790880
91810695	Hydrogen_Bond_Acceptor_Count	16
60196374	Covalent_Unit_Count	2
87716431	Exact_Mass	1058.0796341
116129411	Total_Formal_Charge	0
12207122	Undefined_Bond_Stereo_Count	0
15889752	Undefined_Atom_Stereo_Count	2
83528703	Exact_Mass	110.084398327
3000322	Exact_Mass	303.14705815
20617585	Hydrogen_Bond_Donor_Count	0
8138	Isotope_Atom_Count	0
29746	Molecular_Weight	182.30
13772685	Undefined_Bond_Stereo_Count	0
69807449	XLogP3-AA	0.1
12451640	Defined_Bond_Stereo_Count	0
6852406	TPSA	62.3
22091031	Covalent_Unit_Count	1
200742	Hydrogen_Bond_Donor_Count	0
18521191	Total_Formal_Charge	0
58460047	Undefined_Bond_Stereo_Count	0
13037814	Total_Formal_Charge	0
1801	XLogP3	0.8
3465817	TPSA	104
22842006	Isotope_Atom_Count	0
6387	Isotope_Atom_Count	0
69317	Mono_Isotopic_Weight	246.05369279
74356	Total_Formal_Charge	0
4638	Undefined_Bond_Stereo_Count	1
12705044	Defined_Bond_Stereo_Count	0
44564	Molecular_Weight	311.63
558521	Covalent_Unit_Count	1
138113415	Hydrogen_Bond_Acceptor_Count	12
93369	Defined_Atom_Stereo_Count	0
98813	Non-hydrogen_Atom_Count	35
543885	Molecular_Weight	112.21
76704897	Undefined_Bond_Stereo_Count	0
56666341	Defined_Bond_Stereo_Count	0
11115995	Hydrogen_Bond_Donor_Count	0
54677946	Defined_Atom_Stereo_Count	0
53898601	Covalent_Unit_Count	1
15122	TPSA	0
50878566	Isotope_Atom_Count	0
88928	Undefined_Bond_Stereo_Count	0
53245830	Rotatable_Bond_Count	17
97735	Mono_Isotopic_Weight	143.094628657
6432061	Hydrogen_Bond_Acceptor_Count	0
135407110	Mono_Isotopic_Weight	268.08076950
19938783	Defined_Bond_Stereo_Count	0
153196846	Hydrogen_Bond_Acceptor_Count	1
9113	Total_Formal_Charge	0
54217227	Defined_Bond_Stereo_Count	0
18755109	Isotope_Atom_Count	0
6919170	XLogP3	4.7
17754111	Undefined_Bond_Stereo_Count	0
517121	Isotope_Atom_Count	0
73951506	Molecular_Weight	531.4
53673	Exact_Mass	194.01499861
4115	Molecular_Weight	345.6
58853091	Exact_Mass	100.088815002
123979	Molecular_Weight	240.25
79004	Structure_Complexity	23.6
19437571	Mono_Isotopic_Weight	112.088815002
91444	Non-hydrogen_Atom_Count	11
3694570	Rotatable_Bond_Count	7
12598074	Non-hydrogen_Atom_Count	14
3052	Rotatable_Bond_Count	2
5282349	Non-hydrogen_Atom_Count	30
2903	Hydrogen_Bond_Acceptor_Count	1
135410914	Isotope_Atom_Count	0
75460	Molecular_Weight	157.60
3644637	XLogP3-AA	3.8
12668	Structure_Complexity	121
17963201	Undefined_Bond_Stereo_Count	0
145391309	Mono_Isotopic_Weight	101.047678466
18616	Mono_Isotopic_Weight	186.905233
85626	Total_Formal_Charge	0
151446	Undefined_Atom_Stereo_Count	1
443939	Total_Formal_Charge	0
8361	TPSA	46.5
5329098	Undefined_Bond_Stereo_Count	0
46878477	Covalent_Unit_Count	1
123273783	Mono_Isotopic_Weight	106.078250319
13501022	Defined_Bond_Stereo_Count	0
2752445	Non-hydrogen_Atom_Count	7
14895	Hydrogen_Bond_Acceptor_Count	10
68940	Undefined_Bond_Stereo_Count	0
743492	Undefined_Bond_Stereo_Count	0
133057415	Defined_Atom_Stereo_Count	0
143466591	TPSA	21.6
137347968	Undefined_Bond_Stereo_Count	0
192160	Hydrogen_Bond_Acceptor_Count	3
5281706	Undefined_Bond_Stereo_Count	0
7654	Structure_Complexity	137
5369129	Undefined_Bond_Stereo_Count	0
513917	Hydrogen_Bond_Acceptor_Count	8
84682	Defined_Bond_Stereo_Count	0
74209	Defined_Bond_Stereo_Count	0
450840	Molecular_Weight	302.35
51387014	Isotope_Atom_Count	0
36906	Rotatable_Bond_Count	3
88391334	XLogP3-AA	1
7340	Defined_Atom_Stereo_Count	0
24848330	Exact_Mass	329.18651766
383414	Total_Formal_Charge	0
211468	Isotope_Atom_Count	0
2568387	Isotope_Atom_Count	0
667449	XLogP3	2.9
49865859	Hydrogen_Bond_Donor_Count	2
72683639	Isotope_Atom_Count	0
1530	TPSA	56.7
124823816	Structure_Complexity	634
551249	Covalent_Unit_Count	1
7672	Defined_Bond_Stereo_Count	0
14337609	XLogP3-AA	0.9
10265934	Molecular_Weight	140.23
110373	Defined_Atom_Stereo_Count	0
10800	Molecular_Weight	198.13
4583	Molecular_Weight	361.4
10217	Defined_Atom_Stereo_Count	0
21057641	Exact_Mass	525.2646307
171808	Defined_Atom_Stereo_Count	12
154257	Total_Formal_Charge	0
67247971	TPSA	75.3
3584	Rotatable_Bond_Count	11
198016	Undefined_Atom_Stereo_Count	3
90473076	Isotope_Atom_Count	1
12529691	Undefined_Bond_Stereo_Count	0
13531445	Exact_Mass	101.047678466
14859157	Undefined_Bond_Stereo_Count	0
102692	TPSA	9.2
5355853	Total_Formal_Charge	0
6918612	Exact_Mass	305.16270821
16654936	Hydrogen_Bond_Donor_Count	5
155138	Total_Formal_Charge	0
6918558	Hydrogen_Bond_Acceptor_Count	4
40666	TPSA	23.5
55264361	Total_Formal_Charge	0
135516644	Rotatable_Bond_Count	3
31388	Mono_Isotopic_Weight	204.9964274
14148804	XLogP3-AA	1.4
22842095	Isotope_Atom_Count	0
17298	Rotatable_Bond_Count	5
67507057	Exact_Mass	116.058577502
44404643	XLogP3-AA	4.2
11207	Total_Formal_Charge	0
50925625	Defined_Bond_Stereo_Count	0
65919	XLogP3-AA	0.5
57292	Molecular_Weight	288.85
12560816	Rotatable_Bond_Count	0
146158299	Rotatable_Bond_Count	4
54373	Undefined_Atom_Stereo_Count	8
104755	Undefined_Bond_Stereo_Count	0
3055174	TPSA	93.1
92768	Defined_Atom_Stereo_Count	0
142647132	Defined_Bond_Stereo_Count	0
71305034	Hydrogen_Bond_Donor_Count	2
1548968	Hydrogen_Bond_Donor_Count	1
62802	Hydrogen_Bond_Acceptor_Count	4
659218	Defined_Bond_Stereo_Count	0
15707	Defined_Bond_Stereo_Count	0
53974092	TPSA	43.1
74802	Mono_Isotopic_Weight	148.027277375
154986845	Exact_Mass	112.063662883
53324425	Isotope_Atom_Count	0
220486	Undefined_Bond_Stereo_Count	0
10850	XLogP3-AA	8.9
105101	Hydrogen_Bond_Donor_Count	1
23317073	Non-hydrogen_Atom_Count	7
21547072	XLogP3-AA	0.9
2697	Non-hydrogen_Atom_Count	37
158815	Exact_Mass	165.115364102
230373	Non-hydrogen_Atom_Count	7
10246505	Hydrogen_Bond_Donor_Count	3
134693629	Hydrogen_Bond_Donor_Count	0
715513	Covalent_Unit_Count	1
834146	Rotatable_Bond_Count	1
916113	XLogP3-AA	1.9
562362	Rotatable_Bond_Count	3
102429819	TPSA	40.5
99	TPSA	389
134695356	XLogP3-AA	4.8
15478	Mono_Isotopic_Weight	390.24062418
698716	Undefined_Atom_Stereo_Count	0
12855	Defined_Bond_Stereo_Count	0
10024	Exact_Mass	104.083729621
12871376	XLogP3-AA	0.9
23674745	Undefined_Bond_Stereo_Count	0
5314562	TPSA	26.3
53348188	Hydrogen_Bond_Acceptor_Count	8
134158431	Exact_Mass	245.16270821
98365	Hydrogen_Bond_Acceptor_Count	2
55285439	Mono_Isotopic_Weight	99.068413911
445892	Molecular_Weight	165.23
7791	Hydrogen_Bond_Donor_Count	1
66026334	Non-hydrogen_Atom_Count	8
57856017	Mono_Isotopic_Weight	111.068413911
121750	Structure_Complexity	503
66117	Mono_Isotopic_Weight	174.11167570
14300	Defined_Bond_Stereo_Count	0
23665411	Tautomer_Count	15
13853	Mono_Isotopic_Weight	86.073164938
135398727	Structure_Complexity	598
54684589	Undefined_Bond_Stereo_Count	0
10772947	Structure_Complexity	133
4895	Non-hydrogen_Atom_Count	29
44119980	Undefined_Bond_Stereo_Count	0
53917786	Mono_Isotopic_Weight	113.022526347
649217	Covalent_Unit_Count	1
79772	Defined_Atom_Stereo_Count	0
5357349	Exact_Mass	101.084063974
59703148	Structure_Complexity	64.7
12225167	Defined_Bond_Stereo_Count	0
15004706	Isotope_Atom_Count	0
66587032	Rotatable_Bond_Count	4
40391	Hydrogen_Bond_Acceptor_Count	2
98051216	Hydrogen_Bond_Donor_Count	0
108078	XLogP3	5
5005	Non-hydrogen_Atom_Count	32
21830223	Structure_Complexity	48.1
12323351	Structure_Complexity	66.7
343119	Hydrogen_Bond_Acceptor_Count	1
86439	Exact_Mass	433.0539994
5484132	Defined_Bond_Stereo_Count	1
18726560	Defined_Atom_Stereo_Count	0
11712649	Non-hydrogen_Atom_Count	34
5484	Structure_Complexity	309
12777	Undefined_Atom_Stereo_Count	1
20749	Isotope_Atom_Count	0
72048	Tautomer_Count	1
9948588	Isotope_Atom_Count	0
32069	Covalent_Unit_Count	1
135738851	Defined_Atom_Stereo_Count	14
8840	Hydrogen_Bond_Acceptor_Count	3
66602	Undefined_Bond_Stereo_Count	0
3213	Isotope_Atom_Count	0
25403	Hydrogen_Bond_Donor_Count	0
110968	Rotatable_Bond_Count	5
136784	Rotatable_Bond_Count	0
54401118	Mono_Isotopic_Weight	82.053098200
2795887	Molecular_Weight	110.11
122844	Hydrogen_Bond_Donor_Count	1
21887748	Rotatable_Bond_Count	0
16659682	Mono_Isotopic_Weight	408.04580
30532	Isotope_Atom_Count	0
36457	Structure_Complexity	274
24744154	Exact_Mass	421.08833875
75534860	Isotope_Atom_Count	0
90864	Covalent_Unit_Count	1
45358158	Non-hydrogen_Atom_Count	60
229126	Defined_Bond_Stereo_Count	0
14050	Tautomer_Count	1
10360656	Defined_Atom_Stereo_Count	0
84647662	TPSA	69.1
11779772	Isotope_Atom_Count	0
31917	XLogP3-AA	2.2
82763	XLogP3-AA	2.8
12642	Total_Formal_Charge	0
135297777	Defined_Atom_Stereo_Count	0
11735949	Rotatable_Bond_Count	4
72253	Non-hydrogen_Atom_Count	20
446276	Non-hydrogen_Atom_Count	26
9299	Mono_Isotopic_Weight	312.9859922
135814155	Molecular_Weight	500.5
40376	Tautomer_Count	1
22481847	Hydrogen_Bond_Acceptor_Count	2
5353853	Non-hydrogen_Atom_Count	26
193450	Structure_Complexity	297
573419	Isotope_Atom_Count	0
24439	Total_Formal_Charge	0
61017	Molecular_Weight	129.24
10161305	Hydrogen_Bond_Donor_Count	2
75005	Hydrogen_Bond_Donor_Count	0
9841834	XLogP3-AA	1.5
11181	Mono_Isotopic_Weight	100.063662883
650201	XLogP3-AA	3.1
14585707	Undefined_Atom_Stereo_Count	3
701083	Molecular_Weight	349.3
57396607	Defined_Atom_Stereo_Count	0
17457	Structure_Complexity	374
161236	Structure_Complexity	372
998021	Defined_Atom_Stereo_Count	0
10444765	Mono_Isotopic_Weight	249.172878976
13374320	Hydrogen_Bond_Donor_Count	1
10087661	Exact_Mass	324.0221037
9650	Undefined_Bond_Stereo_Count	0
23666105	Non-hydrogen_Atom_Count	40
65601	Undefined_Atom_Stereo_Count	0
79506	Mono_Isotopic_Weight	126.104465066
11081093	Non-hydrogen_Atom_Count	33
90487295	Defined_Atom_Stereo_Count	0
44208849	XLogP3-AA	3
51577	Covalent_Unit_Count	1
518605	Molecular_Weight	395.68
1470839	Non-hydrogen_Atom_Count	20
22013147	Defined_Atom_Stereo_Count	0
53486702	Rotatable_Bond_Count	6
71453749	Non-hydrogen_Atom_Count	30
8863	Defined_Atom_Stereo_Count	0
11162	Defined_Atom_Stereo_Count	0
2285	Undefined_Atom_Stereo_Count	0
13177014	Isotope_Atom_Count	0
17028077	Hydrogen_Bond_Acceptor_Count	3
443156	Covalent_Unit_Count	1
138496	Non-hydrogen_Atom_Count	8
5280961	Mono_Isotopic_Weight	270.05282342
403165	Mono_Isotopic_Weight	339.98474
94647	TPSA	12.9
476260	Undefined_Bond_Stereo_Count	0
49087	Undefined_Bond_Stereo_Count	0
77	Undefined_Bond_Stereo_Count	0
6323	TPSA	0
471360	Structure_Complexity	230
23652731	TPSA	71
123147402	Undefined_Atom_Stereo_Count	2
68321924	TPSA	80.8
6420039	Non-hydrogen_Atom_Count	21
37524	Tautomer_Count	1
6436126	Covalent_Unit_Count	1
934	Exact_Mass	57.935342
5256228	Undefined_Bond_Stereo_Count	0
53364498	XLogP3-AA	5.5
70695634	Undefined_Bond_Stereo_Count	0
7555	Defined_Bond_Stereo_Count	0
159190124	Rotatable_Bond_Count	15
71391	Defined_Bond_Stereo_Count	0
15551468	Mono_Isotopic_Weight	849.338408
86307	Hydrogen_Bond_Acceptor_Count	2
5282321	Defined_Atom_Stereo_Count	8
101944071	Molecular_Weight	346.2
261555	Structure_Complexity	711
129866430	Hydrogen_Bond_Acceptor_Count	0
14897389	Defined_Atom_Stereo_Count	0
85889	Tautomer_Count	1
20190619	Defined_Bond_Stereo_Count	0
89518758	Exact_Mass	342.11621151
418745	Molecular_Weight	134.14
124904106	Exact_Mass	342.11621151
44267026	Structure_Complexity	177
8816	Undefined_Atom_Stereo_Count	0
60794	Mono_Isotopic_Weight	814.2185717
5355254	TPSA	26.3
79241	Rotatable_Bond_Count	5
58335291	Molecular_Weight	98.14
57401683	Mono_Isotopic_Weight	452.18821194
10931393	Hydrogen_Bond_Acceptor_Count	2
5829	TPSA	6.5
10287749	Exact_Mass	413.30422750
71730	Covalent_Unit_Count	1
13003788	Molecular_Weight	110.15
47471	Hydrogen_Bond_Acceptor_Count	5
23617235	Total_Formal_Charge	1
26185	Non-hydrogen_Atom_Count	17
23616254	Structure_Complexity	299
21319	Mono_Isotopic_Weight	453.0561477
81766	Tautomer_Count	1
1232	Defined_Bond_Stereo_Count	0
83335	XLogP3	3.2
497266	Mono_Isotopic_Weight	292.09066547
12244237	Mono_Isotopic_Weight	77.97755048
20674	Hydrogen_Bond_Acceptor_Count	4
60606	Undefined_Bond_Stereo_Count	0
68834	TPSA	92.1
11637983	Total_Formal_Charge	0
50312	Defined_Atom_Stereo_Count	4
7571	Undefined_Atom_Stereo_Count	0
1098	Mono_Isotopic_Weight	864.30653146
5905	Total_Formal_Charge	0
55299847	XLogP3-AA	0.5
709156	Mono_Isotopic_Weight	346.11398438
448167	Non-hydrogen_Atom_Count	23
12047567	Undefined_Atom_Stereo_Count	0
436497	Isotope_Atom_Count	0
57395974	Total_Formal_Charge	0
3623	Exact_Mass	275.15214353
57403176	Non-hydrogen_Atom_Count	28
54207973	Hydrogen_Bond_Donor_Count	1
720471	Total_Formal_Charge	0
164533	Tautomer_Count	2
20232381	Non-hydrogen_Atom_Count	6
91742	Covalent_Unit_Count	1
10820564	Defined_Atom_Stereo_Count	0
75197	Hydrogen_Bond_Acceptor_Count	4
89283371	Defined_Bond_Stereo_Count	0
5362417	Covalent_Unit_Count	1
99129	Hydrogen_Bond_Donor_Count	0
8272	Undefined_Atom_Stereo_Count	0
447339	Defined_Atom_Stereo_Count	0
6186	Hydrogen_Bond_Donor_Count	1
4332	Covalent_Unit_Count	1
87310	Undefined_Atom_Stereo_Count	1
69521	XLogP3-AA	0.4
135492976	Rotatable_Bond_Count	1
541661	XLogP3-AA	1.1
55284153	Molecular_Weight	112.13
12580	Covalent_Unit_Count	1
5282485	Structure_Complexity	460
6918025	Isotope_Atom_Count	0
278715	Hydrogen_Bond_Donor_Count	0
64821	Hydrogen_Bond_Acceptor_Count	2
6506221	Mono_Isotopic_Weight	236.214015512
3678	Structure_Complexity	214
135016365	Covalent_Unit_Count	1
85872	Undefined_Atom_Stereo_Count	1
129893524	Covalent_Unit_Count	3
129631271	Undefined_Atom_Stereo_Count	0
10486805	Mono_Isotopic_Weight	100.063662883
5281764	XLogP3-AA	2
71541188	Defined_Bond_Stereo_Count	0
20118532	XLogP3-AA	0.7
14397832	Exact_Mass	99.043261792
15588	Covalent_Unit_Count	1
12705044	Exact_Mass	104.062600255
20281045	Hydrogen_Bond_Donor_Count	0
17567	Total_Formal_Charge	0
71584285	Exact_Mass	412.15691181
57148	Molecular_Weight	269.25
20788567	Rotatable_Bond_Count	4
18476134	Hydrogen_Bond_Acceptor_Count	3
21049457	Undefined_Atom_Stereo_Count	0
10466908	TPSA	62.2
637991	Defined_Bond_Stereo_Count	0
25201614	Defined_Atom_Stereo_Count	0
79297905	Undefined_Bond_Stereo_Count	0
266052	Defined_Bond_Stereo_Count	0
32249	Defined_Atom_Stereo_Count	0
7026	Non-hydrogen_Atom_Count	19
44408	Structure_Complexity	346
89415004	Exact_Mass	116.083729621
141343693	Molecular_Weight	113.16
60052896	Undefined_Atom_Stereo_Count	2
12739608	Hydrogen_Bond_Donor_Count	0
26651	Molecular_Weight	425.4
5462653	Total_Formal_Charge	0
11635763	Undefined_Atom_Stereo_Count	1
4228493	Covalent_Unit_Count	1
1087331	Total_Formal_Charge	0
118209838	Defined_Bond_Stereo_Count	0
45073462	Mono_Isotopic_Weight	448.1109187
9796440	Hydrogen_Bond_Acceptor_Count	5
76441	Undefined_Bond_Stereo_Count	0
127832	Hydrogen_Bond_Acceptor_Count	6
12002494	Hydrogen_Bond_Donor_Count	1
44144477	Undefined_Atom_Stereo_Count	0
702015	Undefined_Bond_Stereo_Count	0
439213	Covalent_Unit_Count	1
20230230	Non-hydrogen_Atom_Count	8
170993	TPSA	26.3
21991095	Undefined_Bond_Stereo_Count	0
78165	Defined_Atom_Stereo_Count	0
36979	Undefined_Bond_Stereo_Count	0
85576	Total_Formal_Charge	0
8857	Structure_Complexity	49.5
520540	Molecular_Weight	84.12
37924	Non-hydrogen_Atom_Count	16
5473310	Non-hydrogen_Atom_Count	21
5460044	Molecular_Weight	182.17
3735	XLogP3-AA	3.9
38085	Structure_Complexity	306
12352598	Covalent_Unit_Count	1
23655	Exact_Mass	311.2015923
9548714	Undefined_Bond_Stereo_Count	0
167195	Non-hydrogen_Atom_Count	1
15702063	Defined_Atom_Stereo_Count	0
133550157	TPSA	195
86063	Molecular_Weight	183.16
4714	Mono_Isotopic_Weight	496.39164552
6436148	Hydrogen_Bond_Donor_Count	1
146159466	Molecular_Weight	398.7
440053	Covalent_Unit_Count	1
89723675	Covalent_Unit_Count	1
45356886	Structure_Complexity	917
14974	TPSA	228
6603836	Total_Formal_Charge	0
143565	Rotatable_Bond_Count	1
56679001	Isotope_Atom_Count	0
4043	Structure_Complexity	650
7567598	Non-hydrogen_Atom_Count	7
170832	Mono_Isotopic_Weight	259.157228913
176870	TPSA	74.7
657250	Mono_Isotopic_Weight	665.30474055
164700	TPSA	32.3
3356885	Defined_Atom_Stereo_Count	0
566735	Molecular_Weight	98.10
153238571	Molecular_Weight	180.16
117683867	Hydrogen_Bond_Donor_Count	11
606	Total_Formal_Charge	0
582708	Undefined_Bond_Stereo_Count	0
135678081	Mono_Isotopic_Weight	556.14312602
450349	Structure_Complexity	31
17750876	TPSA	190
5460348	Covalent_Unit_Count	1
17895808	Total_Formal_Charge	0
135455401	Covalent_Unit_Count	1
23418	Hydrogen_Bond_Donor_Count	2
54502555	Undefined_Bond_Stereo_Count	0
146681133	Defined_Atom_Stereo_Count	0
19816560	Molecular_Weight	103.16
44558536	Structure_Complexity	387
9941379	Tautomer_Count	1000
4934	Mono_Isotopic_Weight	368.22256882
105024	Isotope_Atom_Count	0
64423	Mono_Isotopic_Weight	320.1655411
90469695	Undefined_Bond_Stereo_Count	0
92394	XLogP3-AA	0.3
96770	Molecular_Weight	236.22
74839	Structure_Complexity	234
142482	Defined_Bond_Stereo_Count	0
61144	Structure_Complexity	85.4
12563179	Covalent_Unit_Count	1
4403	Mono_Isotopic_Weight	361.07873486
8942	Molecular_Weight	240.30
105426997	Exact_Mass	112.088815002
24358	Isotope_Atom_Count	0
12642	Undefined_Atom_Stereo_Count	1
89582531	Hydrogen_Bond_Donor_Count	1
134834579	Total_Formal_Charge	0
91326539	Undefined_Atom_Stereo_Count	0
71361084	Exact_Mass	114.02294089
286827	Exact_Mass	101.084063974
135582708	Mono_Isotopic_Weight	324.09306551
10931381	Defined_Atom_Stereo_Count	0
137090	Covalent_Unit_Count	1
2729005	Defined_Atom_Stereo_Count	1
6489	XLogP3	2.3
19101067	XLogP3-AA	0.9
546259	Defined_Atom_Stereo_Count	0
39971	Covalent_Unit_Count	1
30039	Exact_Mass	296.1291556
5112454	Rotatable_Bond_Count	2
11601544	Defined_Atom_Stereo_Count	1
5311360	Tautomer_Count	1
54760134	Structure_Complexity	683
18323753	Hydrogen_Bond_Donor_Count	0
137968081	Exact_Mass	645.22909095
23675622	Tautomer_Count	12
22477643	Non-hydrogen_Atom_Count	8
22222152	Total_Formal_Charge	0
12454	Structure_Complexity	509
4743	Molecular_Weight	685.9
55290394	Exact_Mass	113.047678466
90297	Defined_Bond_Stereo_Count	0
3566770	Structure_Complexity	54.3
1079	Rotatable_Bond_Count	7
21248212	Undefined_Atom_Stereo_Count	0
11480819	Rotatable_Bond_Count	1
610169	TPSA	26
450591	Isotope_Atom_Count	1
538433	Undefined_Atom_Stereo_Count	0
12656145	XLogP3-AA	2
3392711	Isotope_Atom_Count	0
84759	Non-hydrogen_Atom_Count	11
104916	TPSA	45.2
7122	Isotope_Atom_Count	0
56682312	Structure_Complexity	718
118984411	Exact_Mass	405.14323607
15565709	TPSA	50.8
1061	Covalent_Unit_Count	1
145802	Defined_Atom_Stereo_Count	0
22737404	Defined_Atom_Stereo_Count	0
92950	Exact_Mass	158.178298710
343119	Isotope_Atom_Count	0
1479778	Rotatable_Bond_Count	2
68210	Hydrogen_Bond_Donor_Count	1
9250	Hydrogen_Bond_Acceptor_Count	0
15123308	Non-hydrogen_Atom_Count	20
143368400	TPSA	0
24450	Mono_Isotopic_Weight	173.88865848
84	Structure_Complexity	1610
23663977	Rotatable_Bond_Count	14
33733	Exact_Mass	426.37091007
69942112	Mono_Isotopic_Weight	118.062994177
12508224	XLogP3-AA	2
8195	Non-hydrogen_Atom_Count	13
5365748	Tautomer_Count	1
17150	Total_Formal_Charge	0
44264589	Rotatable_Bond_Count	0
129711656	Non-hydrogen_Atom_Count	14
14172370	Defined_Atom_Stereo_Count	0
56663315	XLogP3-AA	3.7
18636	Undefined_Atom_Stereo_Count	0
5280724	Defined_Bond_Stereo_Count	4
90942710	Total_Formal_Charge	0
6915836	Structure_Complexity	517
57363	XLogP3	3
13690	Undefined_Atom_Stereo_Count	0
67497	Mono_Isotopic_Weight	184.03467143
3878	Hydrogen_Bond_Donor_Count	2
10378	Hydrogen_Bond_Donor_Count	2
44123551	Hydrogen_Bond_Acceptor_Count	6
87155	Undefined_Bond_Stereo_Count	1
131003005	Non-hydrogen_Atom_Count	8
7848	Hydrogen_Bond_Donor_Count	1
7124	Isotope_Atom_Count	0
60196269	Non-hydrogen_Atom_Count	22
3015914	Isotope_Atom_Count	0
32767	Total_Formal_Charge	0
446275	Undefined_Atom_Stereo_Count	0
19161	Total_Formal_Charge	0
82190	Tautomer_Count	1
156212	Mono_Isotopic_Weight	310.930761
13086	Covalent_Unit_Count	1
9828310	Exact_Mass	527.31707780
14020410	Undefined_Atom_Stereo_Count	2
135705228	Defined_Atom_Stereo_Count	0
16028	Defined_Atom_Stereo_Count	0
95883	TPSA	101
5275520	Molecular_Weight	168.23
107280	Defined_Atom_Stereo_Count	0
9843089	TPSA	86.4
15229227	Mono_Isotopic_Weight	231.0450916
141093	Non-hydrogen_Atom_Count	6
40652	Exact_Mass	351.20457303
54169757	Hydrogen_Bond_Donor_Count	3
39034	Non-hydrogen_Atom_Count	32
1118	Total_Formal_Charge	0
10986185	Structure_Complexity	98.7
16039021	Defined_Bond_Stereo_Count	0
118176200	XLogP3-AA	0.1
88239551	TPSA	26
11907	Total_Formal_Charge	0
10675	Hydrogen_Bond_Donor_Count	1
1473879	Rotatable_Bond_Count	3
24087	Undefined_Atom_Stereo_Count	0
9535	Exact_Mass	148.08995782
93147	Isotope_Atom_Count	0
73166146	Non-hydrogen_Atom_Count	7
123769339	Exact_Mass	100.100048391
130026605	Undefined_Bond_Stereo_Count	0
6918663	Mono_Isotopic_Weight	401.0634615
10972974	XLogP3-AA	4.8
54180637	Isotope_Atom_Count	0
65127	Defined_Bond_Stereo_Count	0
24636	Defined_Bond_Stereo_Count	0
4135	Isotope_Atom_Count	0
11954310	TPSA	43.4
19078026	Hydrogen_Bond_Donor_Count	0
10263	Defined_Bond_Stereo_Count	0
12933763	Structure_Complexity	128
22561495	TPSA	74.8
99143	Molecular_Weight	210.3
10972974	Undefined_Bond_Stereo_Count	0
12295391	Hydrogen_Bond_Acceptor_Count	4
148837046	Non-hydrogen_Atom_Count	8
130956	Defined_Bond_Stereo_Count	0
19073515	Undefined_Bond_Stereo_Count	0
10160238	Structure_Complexity	471
12536	Non-hydrogen_Atom_Count	30
554	Defined_Bond_Stereo_Count	0
44404642	TPSA	95.2
40945	Covalent_Unit_Count	1
70838	Covalent_Unit_Count	1
657251	Rotatable_Bond_Count	4
128549	Exact_Mass	402.21547206
74889149	Defined_Atom_Stereo_Count	0
9849490	Undefined_Atom_Stereo_Count	1
6440511	Undefined_Atom_Stereo_Count	0
13157	Defined_Atom_Stereo_Count	0
53484290	Defined_Bond_Stereo_Count	0
22174896	Defined_Atom_Stereo_Count	0
139179563	TPSA	18.5
146689208	Mono_Isotopic_Weight	110.073164938
91298633	Undefined_Bond_Stereo_Count	0
89138978	Molecular_Weight	102.14
3045381	Hydrogen_Bond_Acceptor_Count	6
71454296	Molecular_Weight	522.3
30623	Rotatable_Bond_Count	3
101943115	Hydrogen_Bond_Donor_Count	0
19350299	Rotatable_Bond_Count	3
26049	Total_Formal_Charge	0
12855	Undefined_Atom_Stereo_Count	0
22348641	Total_Formal_Charge	0
57442010	Hydrogen_Bond_Donor_Count	1
160796	Defined_Atom_Stereo_Count	0
28531	Mono_Isotopic_Weight	331.08445790
4594	Tautomer_Count	2
53359023	Undefined_Bond_Stereo_Count	0
59048761	Mono_Isotopic_Weight	342.11621151
115034	Total_Formal_Charge	0
587369	Mono_Isotopic_Weight	402.0149675
11366953	Hydrogen_Bond_Acceptor_Count	0
640429	Hydrogen_Bond_Donor_Count	1
66195	Covalent_Unit_Count	1
416793	Undefined_Atom_Stereo_Count	0
21766867	Hydrogen_Bond_Donor_Count	0
768	Isotope_Atom_Count	0
106228050	Non-hydrogen_Atom_Count	8
72805	Exact_Mass	262.18925731
21895922	Undefined_Atom_Stereo_Count	2
40470	XLogP3	6.7
30545	Non-hydrogen_Atom_Count	21
71323	Defined_Bond_Stereo_Count	0
73919	Undefined_Atom_Stereo_Count	0
4989	Structure_Complexity	248
250716	Rotatable_Bond_Count	2
802301	Defined_Atom_Stereo_Count	0
3712	Non-hydrogen_Atom_Count	11
140349	Undefined_Atom_Stereo_Count	0
21585056	Hydrogen_Bond_Donor_Count	1
1242943	Exact_Mass	317.12766012
16033	Undefined_Bond_Stereo_Count	0
1343	Rotatable_Bond_Count	2
135539121	Non-hydrogen_Atom_Count	36
439647	Total_Formal_Charge	0
12494777	Rotatable_Bond_Count	3
24090	Isotope_Atom_Count	0
23724913	Tautomer_Count	1
6918788	Hydrogen_Bond_Donor_Count	1
71584271	Undefined_Atom_Stereo_Count	0
135942119	TPSA	297
67629	Mono_Isotopic_Weight	236.1707067
13081559	Hydrogen_Bond_Acceptor_Count	2
82336	Defined_Atom_Stereo_Count	0
61832	Isotope_Atom_Count	0
31191	Molecular_Weight	129.16
92406	Hydrogen_Bond_Acceptor_Count	3
15402	Total_Formal_Charge	0
222528	Molecular_Weight	392.6
274418	Undefined_Atom_Stereo_Count	2
558359	Undefined_Atom_Stereo_Count	1
123611	Hydrogen_Bond_Acceptor_Count	52
31068	Structure_Complexity	440
46942	Total_Formal_Charge	2
18944758	Undefined_Bond_Stereo_Count	0
11009532	Hydrogen_Bond_Acceptor_Count	1
53848219	Molecular_Weight	100.08
3032472	Isotope_Atom_Count	0
90931176	Defined_Atom_Stereo_Count	0
5384876	Total_Formal_Charge	0
9688	Defined_Bond_Stereo_Count	0
73835	Structure_Complexity	117
10099005	Structure_Complexity	983
2453568	Molecular_Weight	184.19
6450813	Structure_Complexity	574
243415	Molecular_Weight	115.17
10027278	Isotope_Atom_Count	0
71697	XLogP3-AA	4
77907	Rotatable_Bond_Count	2
12699170	Undefined_Atom_Stereo_Count	3
165901	Defined_Atom_Stereo_Count	0
11297617	TPSA	248
2253	Hydrogen_Bond_Donor_Count	3
145562	Undefined_Bond_Stereo_Count	0
58647035	Rotatable_Bond_Count	1
138024	Mono_Isotopic_Weight	106.078250319
21438815	Structure_Complexity	99.9
69251960	Undefined_Atom_Stereo_Count	0
14626842	Hydrogen_Bond_Donor_Count	2
20349001	Structure_Complexity	88
71584165	Hydrogen_Bond_Acceptor_Count	6
70414	Total_Formal_Charge	0
85557	Total_Formal_Charge	0
9874248	Covalent_Unit_Count	1
158553	Tautomer_Count	32
10221890	Defined_Atom_Stereo_Count	0
2526	Molecular_Weight	172.07
14474501	Structure_Complexity	109
16124688	Rotatable_Bond_Count	1
68858	Exact_Mass	277.146664230
88318	Undefined_Atom_Stereo_Count	0
12512794	Molecular_Weight	94.15
4526530	Isotope_Atom_Count	0
14843143	Isotope_Atom_Count	0
8296	Undefined_Bond_Stereo_Count	0
59177	Undefined_Atom_Stereo_Count	1
5460504	Undefined_Atom_Stereo_Count	0
22310945	Undefined_Bond_Stereo_Count	0
7841	Exact_Mass	119.95746
989	Hydrogen_Bond_Acceptor_Count	3
221961	Total_Formal_Charge	0
53462066	Undefined_Bond_Stereo_Count	0
10473	Defined_Bond_Stereo_Count	0
13159	Rotatable_Bond_Count	2
58750499	TPSA	29.6
5494425	Defined_Atom_Stereo_Count	0
14147082	Defined_Bond_Stereo_Count	0
124037382	Covalent_Unit_Count	1
97012111	Mono_Isotopic_Weight	342.11621151
121710	Defined_Bond_Stereo_Count	0
136729	Structure_Complexity	66.4
8509	Undefined_Atom_Stereo_Count	0
89178	Defined_Bond_Stereo_Count	0
57549763	Undefined_Atom_Stereo_Count	3
57433782	Defined_Bond_Stereo_Count	0
5791	Mono_Isotopic_Weight	275.1288213
3838852	Undefined_Bond_Stereo_Count	0
387179	Non-hydrogen_Atom_Count	10
69253625	Structure_Complexity	86.5
64950	Hydrogen_Bond_Acceptor_Count	2
119097281	Covalent_Unit_Count	1
5121662	Non-hydrogen_Atom_Count	13
60983	TPSA	34.1
97783	Defined_Bond_Stereo_Count	0
10438	Defined_Atom_Stereo_Count	0
205954	TPSA	211
96600	Covalent_Unit_Count	1
129228	Hydrogen_Bond_Acceptor_Count	5
40512	XLogP3-AA	2
12774755	Defined_Bond_Stereo_Count	0
107649	Total_Formal_Charge	2
31243	Hydrogen_Bond_Acceptor_Count	1
79038	Tautomer_Count	2
9892815	TPSA	123
89143843	Mono_Isotopic_Weight	110.084398327
65758	XLogP3-AA	3
20055352	Rotatable_Bond_Count	1
66536	Structure_Complexity	516
32241	Hydrogen_Bond_Acceptor_Count	0
57148	Hydrogen_Bond_Acceptor_Count	6
53798643	Isotope_Atom_Count	0
6021893	Undefined_Bond_Stereo_Count	0
137699572	Total_Formal_Charge	0
8888	Undefined_Atom_Stereo_Count	1
148139	Hydrogen_Bond_Acceptor_Count	9
102004607	Molecular_Weight	1229.3
5352133	Undefined_Bond_Stereo_Count	0
4435	Undefined_Atom_Stereo_Count	6
102601371	Defined_Bond_Stereo_Count	0
3374	Hydrogen_Bond_Acceptor_Count	5
11476467	Undefined_Bond_Stereo_Count	0
53873414	Defined_Bond_Stereo_Count	0
47510	Covalent_Unit_Count	1
4151	XLogP3	1.8
13861740	Mono_Isotopic_Weight	128.00851382
121938	Hydrogen_Bond_Donor_Count	1
72916	Total_Formal_Charge	0
18955278	TPSA	21.6
442504	Undefined_Atom_Stereo_Count	0
30541	Isotope_Atom_Count	0
138971	Hydrogen_Bond_Donor_Count	0
60999	Defined_Bond_Stereo_Count	0
21133161	Hydrogen_Bond_Acceptor_Count	4
6509753	Total_Formal_Charge	0
1815	Covalent_Unit_Count	1
13468167	TPSA	20.2
160230029	Non-hydrogen_Atom_Count	8
13684981	Defined_Bond_Stereo_Count	0
23282891	Structure_Complexity	298
10112	Undefined_Bond_Stereo_Count	0
52988031	Defined_Atom_Stereo_Count	0
9989023	Isotope_Atom_Count	0
138394518	Covalent_Unit_Count	1
44596198	Hydrogen_Bond_Acceptor_Count	9
10006	Total_Formal_Charge	0
92094	Hydrogen_Bond_Acceptor_Count	2
8470	Structure_Complexity	31.7
14171936	Rotatable_Bond_Count	2
84589	Rotatable_Bond_Count	15
181511	Undefined_Bond_Stereo_Count	0
18755630	XLogP3-AA	1.1
168083	Undefined_Bond_Stereo_Count	0
77067	Defined_Atom_Stereo_Count	0
71391652	TPSA	35.5
492405	Tautomer_Count	7
24999143	Exact_Mass	469.28282334
10457	TPSA	74.6
53323075	Hydrogen_Bond_Acceptor_Count	8
139062015	Molecular_Weight	335.6
49863385	Non-hydrogen_Atom_Count	47
29921593	Non-hydrogen_Atom_Count	23
8502	Molecular_Weight	185.56
69370	Non-hydrogen_Atom_Count	8
81056	Rotatable_Bond_Count	0
4841	Hydrogen_Bond_Donor_Count	1
7130	Defined_Atom_Stereo_Count	0
96316	TPSA	40.5
56677003	Exact_Mass	507.1785654
11178958	Defined_Bond_Stereo_Count	1
9898619	XLogP3-AA	0.6
89283371	Undefined_Atom_Stereo_Count	0
5804	Covalent_Unit_Count	1
8299	TPSA	37.3
73415770	Defined_Bond_Stereo_Count	0
54466147	TPSA	29.5
71484	Rotatable_Bond_Count	6
59292	Undefined_Bond_Stereo_Count	0
3857	Covalent_Unit_Count	1
12660241	TPSA	37.4
91326539	Molecular_Weight	96.17
18908	TPSA	9.2
14601092	Defined_Bond_Stereo_Count	0
5384411	Undefined_Bond_Stereo_Count	0
71597331	Non-hydrogen_Atom_Count	36
135084	Rotatable_Bond_Count	9
13396323	Molecular_Weight	103.16
96251	Defined_Bond_Stereo_Count	0
81561	Hydrogen_Bond_Donor_Count	0
11957609	Undefined_Bond_Stereo_Count	0
6374	Defined_Bond_Stereo_Count	0
13032	Structure_Complexity	82.7
10207	Tautomer_Count	24
23279316	Undefined_Bond_Stereo_Count	0
13850985	Defined_Bond_Stereo_Count	0
57040555	Structure_Complexity	96.4
32345	Covalent_Unit_Count	1
3531736	TPSA	69.9
21723	Defined_Bond_Stereo_Count	0
2724048	Covalent_Unit_Count	2
452977	Hydrogen_Bond_Acceptor_Count	5
62305	Non-hydrogen_Atom_Count	34
2346	Exact_Mass	149.02992040
91230338	Hydrogen_Bond_Acceptor_Count	0
299369	Hydrogen_Bond_Donor_Count	1
6950353	Defined_Atom_Stereo_Count	1
5361463	Molecular_Weight	429.1
56928166	Molecular_Weight	2070.2
11399764	TPSA	139
59708	Hydrogen_Bond_Donor_Count	1
46196517	XLogP3-AA	3.8
13671	TPSA	78.5
56020	TPSA	55.6
3356	Total_Formal_Charge	0
1140	Undefined_Atom_Stereo_Count	0
398604	Molecular_Weight	400.4
17050	Total_Formal_Charge	0
60196405	Structure_Complexity	606
565251	Isotope_Atom_Count	0
13378967	Hydrogen_Bond_Donor_Count	0
153903	Molecular_Weight	110.11
18622348	Rotatable_Bond_Count	1
75460	Defined_Bond_Stereo_Count	0
395999	Defined_Bond_Stereo_Count	0
124249048	Mono_Isotopic_Weight	107.073499291
80153	Hydrogen_Bond_Donor_Count	1
5818	Hydrogen_Bond_Acceptor_Count	2
1470718	Mono_Isotopic_Weight	315.08193293
3170	Hydrogen_Bond_Donor_Count	0
10796703	TPSA	12
72775170	Exact_Mass	100.063662883
51030054	Covalent_Unit_Count	1
359379	Undefined_Bond_Stereo_Count	0
86711	XLogP3-AA	4.9
13438401	Covalent_Unit_Count	1
9983292	Undefined_Atom_Stereo_Count	0
9888075	Mono_Isotopic_Weight	415.19948764
53801928	TPSA	55.8
156412638	Hydrogen_Bond_Donor_Count	1
135487856	Undefined_Atom_Stereo_Count	2
85668777	XLogP3-AA	4
449169	Rotatable_Bond_Count	11
968645	Undefined_Atom_Stereo_Count	0
641294	Exact_Mass	162.068079557
17840535	Exact_Mass	85.089149355
20149870	Undefined_Bond_Stereo_Count	0
2771871	Molecular_Weight	168.96
4529	Non-hydrogen_Atom_Count	53
22678982	Isotope_Atom_Count	0
810229	Rotatable_Bond_Count	7
135546482	Rotatable_Bond_Count	2
17351	Hydrogen_Bond_Acceptor_Count	2
4830	Hydrogen_Bond_Donor_Count	1
19601937	TPSA	49.7
8116	Tautomer_Count	1
61119	Hydrogen_Bond_Donor_Count	0
667450	Total_Formal_Charge	0
442882	Defined_Atom_Stereo_Count	0
71644	Non-hydrogen_Atom_Count	19
441477	Mono_Isotopic_Weight	179.07937252
453326	Defined_Atom_Stereo_Count	0
91826463	Exact_Mass	434.21046687
59664	Exact_Mass	354.00765
6597	Exact_Mass	127.9431847
57425261	Hydrogen_Bond_Donor_Count	1
3321360	Rotatable_Bond_Count	0
9953590	Mono_Isotopic_Weight	414.20423867
1878	TPSA	61.8
5064	Undefined_Atom_Stereo_Count	4
9460	Exact_Mass	225.126597491
66742	Isotope_Atom_Count	0
54036153	Undefined_Atom_Stereo_Count	0
242493	Isotope_Atom_Count	0
145068	Defined_Atom_Stereo_Count	0
2898	Structure_Complexity	503
68263	Undefined_Bond_Stereo_Count	0
10833	TPSA	83.6
62881	Mono_Isotopic_Weight	656.34147767
6552009	Hydrogen_Bond_Donor_Count	1
219145	Hydrogen_Bond_Acceptor_Count	2
26473	Mono_Isotopic_Weight	143.89618
10253143	Molecular_Weight	449.3
123650722	Defined_Atom_Stereo_Count	12
501640	Molecular_Weight	289.41
141140026	Defined_Bond_Stereo_Count	0
133556498	Defined_Atom_Stereo_Count	11
6407	Hydrogen_Bond_Donor_Count	0
13668	Hydrogen_Bond_Donor_Count	3
202050	Hydrogen_Bond_Acceptor_Count	1
10493936	Non-hydrogen_Atom_Count	22
12563	Defined_Atom_Stereo_Count	0
53462066	Tautomer_Count	2
16665100	Defined_Bond_Stereo_Count	0
69288	Defined_Atom_Stereo_Count	0
29675	Structure_Complexity	591
13704283	Undefined_Bond_Stereo_Count	0
129010290	Total_Formal_Charge	0
53481477	Defined_Atom_Stereo_Count	2
87279974	Rotatable_Bond_Count	1
58863	Rotatable_Bond_Count	10
11824	Mono_Isotopic_Weight	291.09675391
69301022	Isotope_Atom_Count	0
10798	Structure_Complexity	75.6
68986	Defined_Atom_Stereo_Count	0
27655	Molecular_Weight	152.53
52912189	Structure_Complexity	665
16441	Isotope_Atom_Count	0
65246	Covalent_Unit_Count	1
16156	Structure_Complexity	336
104745	Hydrogen_Bond_Donor_Count	0
51124	Defined_Bond_Stereo_Count	0
11858153	Structure_Complexity	423
94396	Total_Formal_Charge	0
12620	Hydrogen_Bond_Donor_Count	1
58501	Total_Formal_Charge	0
74320	Molecular_Weight	412.95
12049	TPSA	26
119096	TPSA	80.7
440466	Structure_Complexity	711
71719561	Undefined_Atom_Stereo_Count	0
129864896	Exact_Mass	109.063997236
180081	Undefined_Atom_Stereo_Count	0
68675439	Hydrogen_Bond_Donor_Count	1
387179	Defined_Atom_Stereo_Count	0
44392124	Non-hydrogen_Atom_Count	36
44392244	Undefined_Bond_Stereo_Count	0
59050045	Total_Formal_Charge	0
632835	Structure_Complexity	630
44291156	Structure_Complexity	3240
15004	Hydrogen_Bond_Acceptor_Count	5
8056	Rotatable_Bond_Count	3
9965424	Rotatable_Bond_Count	3
440728	Undefined_Bond_Stereo_Count	0
24832095	Total_Formal_Charge	0
74086836	Hydrogen_Bond_Acceptor_Count	4
10201696	Rotatable_Bond_Count	7
58911	Undefined_Bond_Stereo_Count	0
58691	Defined_Bond_Stereo_Count	0
146265392	Rotatable_Bond_Count	1
20491	XLogP3	0.5
123841971	Non-hydrogen_Atom_Count	7
18591	Structure_Complexity	46
31268	Defined_Atom_Stereo_Count	0
44421047	Molecular_Weight	924.1
24917007	Defined_Bond_Stereo_Count	0
11051587	Hydrogen_Bond_Donor_Count	0
13586	Rotatable_Bond_Count	1
57391720	TPSA	115
636402	Exact_Mass	614.31954243
10953453	XLogP3-AA	0.4
28064676	Non-hydrogen_Atom_Count	7
24955007	Isotope_Atom_Count	0
441336	XLogP3	3.9
10877051	Covalent_Unit_Count	1
65093	Exact_Mass	220.01289061
581206	Molecular_Weight	170.25
519642	Exact_Mass	110.01902136
5483624	Defined_Bond_Stereo_Count	0
51082	Molecular_Weight	517.4
122449120	Rotatable_Bond_Count	0
92764	Molecular_Weight	254.3
441328	Undefined_Atom_Stereo_Count	0
550179	Exact_Mass	250.98639865
87187801	Molecular_Weight	112.17
53323075	Structure_Complexity	838
123588530	Undefined_Atom_Stereo_Count	0
10909908	Rotatable_Bond_Count	4
172469	Hydrogen_Bond_Acceptor_Count	18
17909	Structure_Complexity	219
9883778	Hydrogen_Bond_Donor_Count	2
14454	Exact_Mass	102.104465066
500	Defined_Atom_Stereo_Count	0
224243	Defined_Bond_Stereo_Count	0
137706167	Hydrogen_Bond_Acceptor_Count	16
54317152	Mono_Isotopic_Weight	112.063662883
3068840	Non-hydrogen_Atom_Count	27
70220	XLogP3-AA	1.8
70698172	Structure_Complexity	499
612743	Hydrogen_Bond_Donor_Count	1
39622	Structure_Complexity	529
8434	TPSA	46.5
2724163	Non-hydrogen_Atom_Count	26
5326	TPSA	116
44336199	Covalent_Unit_Count	1
19354	Tautomer_Count	1
81223	Rotatable_Bond_Count	2
44719848	Rotatable_Bond_Count	0
24807614	Total_Formal_Charge	0
6918257	Defined_Atom_Stereo_Count	0
6420074	Tautomer_Count	2
8566	Tautomer_Count	6
4690	XLogP3-AA	2.7
12118	Mono_Isotopic_Weight	191.131014166
6754	Undefined_Bond_Stereo_Count	0
12389634	Undefined_Bond_Stereo_Count	0
6432591	Hydrogen_Bond_Donor_Count	0
33353	Rotatable_Bond_Count	5
79964	TPSA	1
3397	XLogP3	3.3
421	Rotatable_Bond_Count	7
84647594	Non-hydrogen_Atom_Count	6
91881846	Structure_Complexity	337
47	Defined_Atom_Stereo_Count	0
10636633	Non-hydrogen_Atom_Count	19
18698	Rotatable_Bond_Count	3
8505	Defined_Bond_Stereo_Count	0
136253316	Defined_Atom_Stereo_Count	1
216247	Covalent_Unit_Count	1
6016	Hydrogen_Bond_Acceptor_Count	2
589692	Defined_Bond_Stereo_Count	0
16656	Exact_Mass	128.156500638
519599	Rotatable_Bond_Count	2
65531	Molecular_Weight	133.15
6539003	Defined_Bond_Stereo_Count	0
45380694	TPSA	91
979	TPSA	74.6
565900	Tautomer_Count	3
12193680	Non-hydrogen_Atom_Count	34
551434	Hydrogen_Bond_Acceptor_Count	2
135400184	Non-hydrogen_Atom_Count	20
76415	Mono_Isotopic_Weight	308.083729621
10532551	Exact_Mass	678.26494143
398579	Total_Formal_Charge	0
76537	Hydrogen_Bond_Acceptor_Count	2
519559	Isotope_Atom_Count	0
4118151	Structure_Complexity	292
98850	Isotope_Atom_Count	0
5324776	Molecular_Weight	98.10
53643410	Defined_Bond_Stereo_Count	0
71645	Exact_Mass	242.094294304
578334	Undefined_Bond_Stereo_Count	0
40479707	Exact_Mass	302.17561863
21768	Exact_Mass	149.120449483
11419776	Structure_Complexity	608
347475	Exact_Mass	115.099714038
316724	TPSA	18.5
83045	Tautomer_Count	1
181749	Structure_Complexity	52
5367417	Undefined_Atom_Stereo_Count	0
2772687	TPSA	34.9
58902739	Defined_Bond_Stereo_Count	0
11715166	Undefined_Atom_Stereo_Count	0
2734054	Total_Formal_Charge	0
22020761	Rotatable_Bond_Count	2
52997	Isotope_Atom_Count	0
6475274	Isotope_Atom_Count	0
71449585	Defined_Atom_Stereo_Count	0
82703	Rotatable_Bond_Count	1
74626	Molecular_Weight	122.12
447360	Rotatable_Bond_Count	5
20784557	Undefined_Atom_Stereo_Count	0
8689	Hydrogen_Bond_Acceptor_Count	3
4336361	Undefined_Bond_Stereo_Count	0
54978	Non-hydrogen_Atom_Count	22
16218793	TPSA	74.8
116701105	Defined_Bond_Stereo_Count	0
21770	Structure_Complexity	370
681701	Total_Formal_Charge	0
36565	Defined_Atom_Stereo_Count	0
102724	Defined_Bond_Stereo_Count	0
5228468	Structure_Complexity	85.3
123494194	Covalent_Unit_Count	1
18950	Tautomer_Count	1
1369	Structure_Complexity	439
20553	XLogP3-AA	0.3
55288429	Hydrogen_Bond_Donor_Count	1
6429274	Defined_Bond_Stereo_Count	1
20497	Hydrogen_Bond_Donor_Count	3
20723390	Rotatable_Bond_Count	0
58247643	Rotatable_Bond_Count	1
24757913	TPSA	206
91563	Undefined_Atom_Stereo_Count	0
24802551	Defined_Bond_Stereo_Count	0
33637	Total_Formal_Charge	0
47297	Isotope_Atom_Count	0
5319249	Undefined_Bond_Stereo_Count	0
173411	Hydrogen_Bond_Donor_Count	6
442072	Total_Formal_Charge	0
2752647	Non-hydrogen_Atom_Count	7
81476	Total_Formal_Charge	0
56658438	Covalent_Unit_Count	1
21701560	Structure_Complexity	390
162918375	Defined_Bond_Stereo_Count	1
237946	Isotope_Atom_Count	0
69674601	XLogP3-AA	0.2
54372438	Hydrogen_Bond_Donor_Count	0
10143006	Hydrogen_Bond_Acceptor_Count	11
82322	Structure_Complexity	80.5
86677009	Total_Formal_Charge	0
14786268	Structure_Complexity	94.7
64950	Tautomer_Count	2
11953895	Exact_Mass	297.948962
9109	Hydrogen_Bond_Donor_Count	0
190816	Hydrogen_Bond_Donor_Count	1
101094784	Mono_Isotopic_Weight	384.19367399
93301	Total_Formal_Charge	0
96354	Rotatable_Bond_Count	7
9908927	Mono_Isotopic_Weight	396.77711
689013	Exact_Mass	236.083729621
22000495	Molecular_Weight	101.10
142852216	TPSA	29.5
458645	Exact_Mass	418.2512821
39648	Defined_Atom_Stereo_Count	0
4659568	Covalent_Unit_Count	1
71674	Defined_Atom_Stereo_Count	29
4420067	Non-hydrogen_Atom_Count	16
71453618	Non-hydrogen_Atom_Count	28
135437285	Defined_Atom_Stereo_Count	0
44555481	Hydrogen_Bond_Donor_Count	0
54584775	Exact_Mass	291.13830499
36303	Isotope_Atom_Count	0
61253	Hydrogen_Bond_Donor_Count	3
44590515	Isotope_Atom_Count	0
7044038	Defined_Atom_Stereo_Count	5
14262	Rotatable_Bond_Count	0
51200	Mono_Isotopic_Weight	236.094963011
135422052	Molecular_Weight	488.5
47372	Hydrogen_Bond_Donor_Count	0
33038	Isotope_Atom_Count	0
151318	Defined_Atom_Stereo_Count	0
2122	Structure_Complexity	614
16129706	Mono_Isotopic_Weight	1636.71665551
137319701	Defined_Bond_Stereo_Count	1
636750	Undefined_Atom_Stereo_Count	0
13082758	Non-hydrogen_Atom_Count	7
10900	Defined_Bond_Stereo_Count	0
78281	Mono_Isotopic_Weight	156.98336413
54111851	Total_Formal_Charge	0
632910	Exact_Mass	386.260965704
121596237	Structure_Complexity	165
76981	Undefined_Bond_Stereo_Count	0
59296081	Covalent_Unit_Count	1
152119	XLogP3-AA	0.6
599	Defined_Bond_Stereo_Count	0
35331	Structure_Complexity	300
24780	Structure_Complexity	760
115011062	Molecular_Weight	114.14
86302	XLogP3-AA	0.5
165411832	Non-hydrogen_Atom_Count	34
214350	Covalent_Unit_Count	1
43389	Structure_Complexity	63.5
80786	Structure_Complexity	273
137240373	Total_Formal_Charge	0
139062526	Defined_Bond_Stereo_Count	0
53405	TPSA	74.4
15569631	Isotope_Atom_Count	0
53953608	Mono_Isotopic_Weight	114.104465066
65909	Covalent_Unit_Count	1
83967	Exact_Mass	312.07799279
53710320	Non-hydrogen_Atom_Count	7
24087	Hydrogen_Bond_Acceptor_Count	2
24180717	Undefined_Atom_Stereo_Count	0
88984133	Total_Formal_Charge	0
522741	Molecular_Weight	406.5
134694073	Non-hydrogen_Atom_Count	30
33014	Isotope_Atom_Count	0
3058	Mono_Isotopic_Weight	478.25308057
3651	Non-hydrogen_Atom_Count	11
169536	Undefined_Bond_Stereo_Count	0
6989	Non-hydrogen_Atom_Count	11
23349319	Molecular_Weight	116.11
54677756	Rotatable_Bond_Count	1
13418379	Non-hydrogen_Atom_Count	8
4870	Rotatable_Bond_Count	4
60663	Hydrogen_Bond_Donor_Count	1
52943333	Isotope_Atom_Count	0
15032799	TPSA	9.2
145915578	Total_Formal_Charge	0
123971568	Covalent_Unit_Count	1
214321	Isotope_Atom_Count	0
14454747	Defined_Bond_Stereo_Count	0
99646540	Exact_Mass	284.16237386
19080487	Hydrogen_Bond_Acceptor_Count	1
65859	Isotope_Atom_Count	0
87215	Defined_Atom_Stereo_Count	0
21868057	TPSA	0
6438560	Rotatable_Bond_Count	8
23649427	Isotope_Atom_Count	0
20297542	TPSA	38.9
101080369	Undefined_Bond_Stereo_Count	0
2734680	Undefined_Bond_Stereo_Count	0
59116084	Covalent_Unit_Count	1
2775941	Undefined_Atom_Stereo_Count	0
5094381	Mono_Isotopic_Weight	112.063662883
12285878	Tautomer_Count	1
53643041	Non-hydrogen_Atom_Count	8
21940	Isotope_Atom_Count	0
129827902	TPSA	609
20725561	Molecular_Weight	401.5
14909248	Mono_Isotopic_Weight	114.104465066
250074	XLogP3-AA	1.3
87064	Mono_Isotopic_Weight	195.162314293
14849271	Undefined_Bond_Stereo_Count	0
3449165	Hydrogen_Bond_Acceptor_Count	5
2579	Total_Formal_Charge	0
7000	Isotope_Atom_Count	0
21552585	Undefined_Atom_Stereo_Count	0
694876	Hydrogen_Bond_Acceptor_Count	3
57401684	Isotope_Atom_Count	0
87985965	Covalent_Unit_Count	1
198576	Molecular_Weight	313.5
6983	Undefined_Atom_Stereo_Count	0
969105	Exact_Mass	310.168127949
47670	Hydrogen_Bond_Donor_Count	1
4224596	Defined_Bond_Stereo_Count	0
21798491	Hydrogen_Bond_Donor_Count	2
117859259	Exact_Mass	108.032362755
130165	Hydrogen_Bond_Donor_Count	1
89748954	Molecular_Weight	114.19
3036931	Total_Formal_Charge	0
14042	Rotatable_Bond_Count	3
51464	XLogP3	6.5
102481651	TPSA	9.2
5329103	XLogP3-AA	3.2
54685734	Isotope_Atom_Count	0
10920483	TPSA	43.4
153921	Non-hydrogen_Atom_Count	30
73877	Structure_Complexity	155
10336591	Defined_Bond_Stereo_Count	0
66811197	Hydrogen_Bond_Acceptor_Count	10
478951	Total_Formal_Charge	0
64218	Structure_Complexity	387
22737404	Defined_Bond_Stereo_Count	0
8268	Defined_Atom_Stereo_Count	0
75989941	Hydrogen_Bond_Acceptor_Count	1
11672764	Total_Formal_Charge	0
11188898	Mono_Isotopic_Weight	404.17697855
24765256	Tautomer_Count	4
87703	Undefined_Atom_Stereo_Count	0
13314	Defined_Atom_Stereo_Count	0
236212	Undefined_Bond_Stereo_Count	0
10355488	XLogP3-AA	0.7
445461	Total_Formal_Charge	0
4385988	XLogP3-AA	1.5
62309	Defined_Bond_Stereo_Count	0
5102	Undefined_Bond_Stereo_Count	0
37034	Hydrogen_Bond_Acceptor_Count	0
9954739	Total_Formal_Charge	0
59296085	Non-hydrogen_Atom_Count	31
91760	Rotatable_Bond_Count	3
54370822	Defined_Bond_Stereo_Count	0
65628	Undefined_Bond_Stereo_Count	0
90859735	Hydrogen_Bond_Donor_Count	0
45488121	Exact_Mass	422.15543222
2734898	Covalent_Unit_Count	3
24865620	Hydrogen_Bond_Acceptor_Count	5
10599	Structure_Complexity	364
78485	Structure_Complexity	17.6
16274	Mono_Isotopic_Weight	353.0270760
138813	Tautomer_Count	1
3081561	Molecular_Weight	1680.5
75921	Structure_Complexity	291
9046	Structure_Complexity	613
66027	Undefined_Atom_Stereo_Count	0
265237	Undefined_Bond_Stereo_Count	0
44717198	Mono_Isotopic_Weight	229.1624925
83403	Defined_Bond_Stereo_Count	0
16205480	Defined_Atom_Stereo_Count	0
5905	Hydrogen_Bond_Acceptor_Count	5
11105314	XLogP3-AA	0.3
7567598	Undefined_Bond_Stereo_Count	0
53893636	Hydrogen_Bond_Donor_Count	1
5886	Covalent_Unit_Count	1
10628031	Hydrogen_Bond_Donor_Count	6
124003	Hydrogen_Bond_Acceptor_Count	12
306211	Defined_Bond_Stereo_Count	0
19927	XLogP3-AA	1
65445	Undefined_Bond_Stereo_Count	0
12415	Total_Formal_Charge	0
136219155	Undefined_Bond_Stereo_Count	0
17769889	Hydrogen_Bond_Donor_Count	1
58714	Defined_Atom_Stereo_Count	0
23724962	Mono_Isotopic_Weight	286.0832680
122672078	XLogP3-AA	1.2
9949648	Defined_Atom_Stereo_Count	1
44392137	Exact_Mass	530.26031425
59503411	Exact_Mass	193.12745433
6917674	Mono_Isotopic_Weight	514.10931017
140990	Exact_Mass	94.078250319
15118	Hydrogen_Bond_Donor_Count	1
55253420	Exact_Mass	99.104799419
72860	Defined_Bond_Stereo_Count	0
56032	Hydrogen_Bond_Donor_Count	1
84693	XLogP3-AA	1.6
72823952	Undefined_Bond_Stereo_Count	0
54681902	Covalent_Unit_Count	1
123753428	Defined_Bond_Stereo_Count	0
6609	Defined_Bond_Stereo_Count	0
9820008	Defined_Bond_Stereo_Count	0
24479	Defined_Bond_Stereo_Count	0
2585	Defined_Bond_Stereo_Count	0
11955855	Hydrogen_Bond_Acceptor_Count	6
533728	Hydrogen_Bond_Acceptor_Count	2
83648	Rotatable_Bond_Count	4
13847709	Defined_Atom_Stereo_Count	1
70691434	TPSA	52.6
46934729	Exact_Mass	264.10111102
148680795	Undefined_Bond_Stereo_Count	0
86278404	Mono_Isotopic_Weight	180.06338810
75609	Tautomer_Count	1
138107201	Structure_Complexity	756
60984	Undefined_Bond_Stereo_Count	0
5311053	Mono_Isotopic_Weight	424.1652663
8341	Undefined_Bond_Stereo_Count	0
2226	Covalent_Unit_Count	1
34885	Rotatable_Bond_Count	4
1365	Defined_Atom_Stereo_Count	0
2315	Exact_Mass	421.03778277
93291	Defined_Bond_Stereo_Count	0
5352905	Rotatable_Bond_Count	3
16694	Molecular_Weight	132.20
38989055	Isotope_Atom_Count	0
1549521	Rotatable_Bond_Count	2
106358	Tautomer_Count	1
88464430	Molecular_Weight	117.15
23393	Tautomer_Count	1
123537454	XLogP3-AA	2.1
122376379	Defined_Atom_Stereo_Count	3
5284543	TPSA	41.9
5282226	Hydrogen_Bond_Acceptor_Count	9
12007083	Exact_Mass	420.20088463
132306	Defined_Atom_Stereo_Count	0
19431	Exact_Mass	272.99816207
52943333	Exact_Mass	421.14133951
25195346	Hydrogen_Bond_Donor_Count	3
15953353	Structure_Complexity	615
11048	Defined_Bond_Stereo_Count	0
134688043	Total_Formal_Charge	0
13810419	Undefined_Bond_Stereo_Count	0
140655119	Hydrogen_Bond_Acceptor_Count	2
85693614	Non-hydrogen_Atom_Count	8
55300514	Covalent_Unit_Count	1
5284419	Exact_Mass	624.20542044
53316417	Structure_Complexity	446
5284631	Total_Formal_Charge	0
40987	Hydrogen_Bond_Donor_Count	3
25913	TPSA	0
123485747	Defined_Bond_Stereo_Count	0
5362065	Undefined_Atom_Stereo_Count	0
64769	Mono_Isotopic_Weight	368.1350288
288862	Rotatable_Bond_Count	1
132575067	Isotope_Atom_Count	0
223578	Mono_Isotopic_Weight	330.21949481
30587	Defined_Atom_Stereo_Count	0
16351	Undefined_Atom_Stereo_Count	0
253186	Hydrogen_Bond_Donor_Count	1
90488948	Covalent_Unit_Count	1
6917831	Hydrogen_Bond_Acceptor_Count	9
54411340	Covalent_Unit_Count	1
72683639	Defined_Atom_Stereo_Count	0
137208	Non-hydrogen_Atom_Count	5
98850	XLogP3-AA	0.6
226288	Hydrogen_Bond_Donor_Count	1
6918386	TPSA	109
10895019	Isotope_Atom_Count	1
53249491	Molecular_Weight	185.2
91525	Undefined_Bond_Stereo_Count	0
178795	Hydrogen_Bond_Acceptor_Count	6
543880	TPSA	9.2
11442891	Exact_Mass	474.23793884
21123938	Undefined_Bond_Stereo_Count	0
95883	Mono_Isotopic_Weight	161.06880783
2090	Hydrogen_Bond_Donor_Count	6
6328250	Structure_Complexity	266
1413	Non-hydrogen_Atom_Count	23
14475	Hydrogen_Bond_Acceptor_Count	2
22385728	Covalent_Unit_Count	1
10329946	Exact_Mass	181.06674293
138041	Non-hydrogen_Atom_Count	2
6419807	TPSA	51.4
520888	Undefined_Atom_Stereo_Count	0
11743862	Undefined_Bond_Stereo_Count	0
11957593	Defined_Atom_Stereo_Count	0
2225	Rotatable_Bond_Count	7
105031	Structure_Complexity	623
59874134	Hydrogen_Bond_Acceptor_Count	1
5281168	Hydrogen_Bond_Acceptor_Count	1
4449	Defined_Atom_Stereo_Count	0
722799	Exact_Mass	306.09168915
86076207	Rotatable_Bond_Count	3
3878	Mono_Isotopic_Weight	255.0078506
135461001	Exact_Mass	433.13459597
11385	Exact_Mass	194.084398327
14297259	Defined_Bond_Stereo_Count	0
124249128	Hydrogen_Bond_Donor_Count	1
6419942	Molecular_Weight	302.16
14796	TPSA	34.1
12524	Isotope_Atom_Count	0
93012	Hydrogen_Bond_Donor_Count	1
12579106	Covalent_Unit_Count	1
11366953	Exact_Mass	94.078250319
548769	Mono_Isotopic_Weight	93.032697108
6259976	Mono_Isotopic_Weight	174.068079557
13795047	Isotope_Atom_Count	0
12561969	Defined_Atom_Stereo_Count	0
46224600	Isotope_Atom_Count	0
20709675	Molecular_Weight	115.13
430795	Exact_Mass	202.21574685
21303152	XLogP3-AA	0
50515	TPSA	66.6
43961	Covalent_Unit_Count	1
4369491	Hydrogen_Bond_Acceptor_Count	3
24868263	Mono_Isotopic_Weight	351.21714909
8263	Undefined_Atom_Stereo_Count	0
5372720	Structure_Complexity	333
154416437	Hydrogen_Bond_Acceptor_Count	1
17595	Exact_Mass	113.084063974
24743471	Non-hydrogen_Atom_Count	28
9549303	XLogP3-AA	4.5
6474109	Undefined_Atom_Stereo_Count	0
12953697	Mono_Isotopic_Weight	85.089149355
57393451	Total_Formal_Charge	0
135398729	Defined_Atom_Stereo_Count	0
9142	Total_Formal_Charge	0
141010	Total_Formal_Charge	0
5249209	TPSA	30.7
688137	Defined_Bond_Stereo_Count	0
42754	TPSA	29.1
17841212	Exact_Mass	97.027611728
20469	Covalent_Unit_Count	1
81278	Defined_Bond_Stereo_Count	0
63013	Defined_Bond_Stereo_Count	0
1070	Structure_Complexity	522
163781	Tautomer_Count	1000
4778	Total_Formal_Charge	0
73233	Defined_Bond_Stereo_Count	0
86443	Undefined_Bond_Stereo_Count	0
18376592	Hydrogen_Bond_Donor_Count	2
88169351	Exact_Mass	320.07820726
131966764	Mono_Isotopic_Weight	180.06338810
33845	Structure_Complexity	268
37927	Tautomer_Count	1
2721	Isotope_Atom_Count	0
9432	Total_Formal_Charge	0
49865494	Defined_Atom_Stereo_Count	0
19138	Undefined_Bond_Stereo_Count	0
73437612	Molecular_Weight	768.5
11840927	Mono_Isotopic_Weight	228.09324893
16170	Covalent_Unit_Count	1
1484500	Total_Formal_Charge	0
20697439	Hydrogen_Bond_Acceptor_Count	2
10693	Isotope_Atom_Count	0
87106789	Covalent_Unit_Count	2
28718	Total_Formal_Charge	0
2723800	Mono_Isotopic_Weight	350.1298243
2723942	Undefined_Bond_Stereo_Count	0
3710788	Covalent_Unit_Count	1
137349957	Structure_Complexity	1730
630882	Defined_Atom_Stereo_Count	0
46841215	Rotatable_Bond_Count	7
71541278	Covalent_Unit_Count	1
11073351	Undefined_Bond_Stereo_Count	0
18360	Defined_Atom_Stereo_Count	0
10523409	Mono_Isotopic_Weight	371.963539
74041114	Undefined_Bond_Stereo_Count	0
89590	Rotatable_Bond_Count	3
14759390	Mono_Isotopic_Weight	116.047344113
411312	Total_Formal_Charge	0
66764517	Structure_Complexity	97.5
282529	Rotatable_Bond_Count	0
21492	Total_Formal_Charge	0
5288588	Mono_Isotopic_Weight	298.1236763
13889162	Rotatable_Bond_Count	5
51918	Mono_Isotopic_Weight	181.05613515
3591	Tautomer_Count	8
41211	Non-hydrogen_Atom_Count	23
457928	Isotope_Atom_Count	0
5109	Defined_Bond_Stereo_Count	0
98888	Covalent_Unit_Count	1
90488914	TPSA	272
108424	Hydrogen_Bond_Donor_Count	1
71648	Undefined_Atom_Stereo_Count	0
23675746	Covalent_Unit_Count	2
14281426	Mono_Isotopic_Weight	118.062994177
1549002	Defined_Bond_Stereo_Count	0
9948588	Defined_Atom_Stereo_Count	0
657201	Tautomer_Count	1
156963699	Exact_Mass	442.19915329
101582408	Molecular_Weight	531.6
80487728	Defined_Atom_Stereo_Count	0
54698175	Structure_Complexity	915
19884375	Defined_Atom_Stereo_Count	0
16134409	Mono_Isotopic_Weight	1891.84171491
73102147	Rotatable_Bond_Count	2
12314510	Non-hydrogen_Atom_Count	38
92421	Molecular_Weight	252.26
105426931	Covalent_Unit_Count	1
10572530	TPSA	91.8
91599597	Undefined_Bond_Stereo_Count	0
315341	XLogP3-AA	0.9
74570	Hydrogen_Bond_Donor_Count	1
68705	XLogP3-AA	4.8
91065505	Hydrogen_Bond_Acceptor_Count	1
22934413	Isotope_Atom_Count	0
11434920	Hydrogen_Bond_Acceptor_Count	3
11779772	Defined_Atom_Stereo_Count	0
185620	Undefined_Bond_Stereo_Count	0
394156	Structure_Complexity	282
163050679	Non-hydrogen_Atom_Count	20
135489810	Non-hydrogen_Atom_Count	8
10111431	Hydrogen_Bond_Donor_Count	1
436482	Hydrogen_Bond_Acceptor_Count	2
12518095	Undefined_Atom_Stereo_Count	0
34338	Total_Formal_Charge	0
72301	Structure_Complexity	475
58318269	Structure_Complexity	415
2593	Mono_Isotopic_Weight	615.29630113
23670770	Non-hydrogen_Atom_Count	27
7102	Rotatable_Bond_Count	1
79414	Defined_Atom_Stereo_Count	0
15442	Covalent_Unit_Count	1
147277331	Defined_Bond_Stereo_Count	0
70150	Covalent_Unit_Count	1
441139	Undefined_Atom_Stereo_Count	1
44134379	Molecular_Weight	364.9
72281	Covalent_Unit_Count	1
28264	Hydrogen_Bond_Acceptor_Count	2
70580528	Rotatable_Bond_Count	2
18764599	Exact_Mass	116.083729621
12527495	Defined_Bond_Stereo_Count	0
6917738	Non-hydrogen_Atom_Count	49
8002585	Defined_Bond_Stereo_Count	0
97523	Undefined_Atom_Stereo_Count	0
24855	Mono_Isotopic_Weight	261.81225
5354626	Tautomer_Count	4
63958	Structure_Complexity	567
4358655	Total_Formal_Charge	0
60196366	Hydrogen_Bond_Donor_Count	6
628181	Hydrogen_Bond_Donor_Count	1
136231689	Covalent_Unit_Count	1
34303	XLogP3-AA	6.4
6538995	TPSA	82.5
79875564	Molecular_Weight	97.16
7842	Hydrogen_Bond_Acceptor_Count	0
75866	Hydrogen_Bond_Acceptor_Count	1
72734319	Exact_Mass	601.19349328
372	Total_Formal_Charge	0
101944071	Mono_Isotopic_Weight	345.0759302
829	Non-hydrogen_Atom_Count	8
35687	Undefined_Bond_Stereo_Count	2
97389	Hydrogen_Bond_Donor_Count	1
6436606	Undefined_Bond_Stereo_Count	0
151115	Hydrogen_Bond_Acceptor_Count	7
17166	Exact_Mass	140.120115130
13877	Defined_Bond_Stereo_Count	0
114812	Undefined_Atom_Stereo_Count	0
16051954	Covalent_Unit_Count	2
13033	Undefined_Atom_Stereo_Count	0
21700	TPSA	107
71309208	Hydrogen_Bond_Acceptor_Count	0
2063	Defined_Bond_Stereo_Count	0
14868	TPSA	49.3
43834	Mono_Isotopic_Weight	256.109944368
83904778	Mono_Isotopic_Weight	114.068079557
799	Undefined_Bond_Stereo_Count	0
53952865	Undefined_Bond_Stereo_Count	0
45085092	Covalent_Unit_Count	1
135985157	Defined_Bond_Stereo_Count	0
9811493	Hydrogen_Bond_Donor_Count	5
4224798	Non-hydrogen_Atom_Count	10
6450	TPSA	92.2
2042	Defined_Bond_Stereo_Count	0
101630689	Total_Formal_Charge	0
92237	Non-hydrogen_Atom_Count	20
130917941	Rotatable_Bond_Count	3
20689	Undefined_Bond_Stereo_Count	0
3033825	Mono_Isotopic_Weight	280.10725903
54740	Total_Formal_Charge	0
968645	Non-hydrogen_Atom_Count	18
441477	Molecular_Weight	179.17
57864687	Total_Formal_Charge	0
10899282	Defined_Atom_Stereo_Count	4
27941	Hydrogen_Bond_Acceptor_Count	1
101100163	Non-hydrogen_Atom_Count	18
6438373	Isotope_Atom_Count	0
21865974	Isotope_Atom_Count	0
916113	Structure_Complexity	506
70693538	Defined_Atom_Stereo_Count	6
107654	Total_Formal_Charge	0
14104	XLogP3	3.8
53651707	Hydrogen_Bond_Acceptor_Count	3
12332146	Undefined_Bond_Stereo_Count	0
20034086	Undefined_Bond_Stereo_Count	0
70068	Isotope_Atom_Count	0
41020	TPSA	49.2
3388301	Molecular_Weight	220.03
5746387	XLogP3	0.9
45085047	Molecular_Weight	114.10
130150414	Molecular_Weight	118.09
5743836	Defined_Bond_Stereo_Count	0
15567528	Undefined_Bond_Stereo_Count	0
9568628	Covalent_Unit_Count	1
4164	Exact_Mass	271.06669983
529279	XLogP3-AA	3.3
67448671	Molecular_Weight	235.28
20739	Molecular_Weight	142.24
117853562	Structure_Complexity	113
20056549	TPSA	220
5252031	Defined_Atom_Stereo_Count	0
5281670	Rotatable_Bond_Count	1
9963056	Covalent_Unit_Count	3
12326432	Structure_Complexity	91.7
87898	Molecular_Weight	223.14
5917	Exact_Mass	138.090546336
7915	Covalent_Unit_Count	1
86929	Hydrogen_Bond_Donor_Count	0
69503325	Total_Formal_Charge	0
14276	Molecular_Weight	113.20
12463	Rotatable_Bond_Count	0
91420197	Undefined_Bond_Stereo_Count	0
71441408	Total_Formal_Charge	0
2666	Undefined_Bond_Stereo_Count	0
5930	Hydrogen_Bond_Donor_Count	6
20544	TPSA	42.4
21466942	Hydrogen_Bond_Donor_Count	3
23279315	Exact_Mass	115.038176411
90173	Total_Formal_Charge	0
12477	Isotope_Atom_Count	0
8764	TPSA	35.2
34481	Structure_Complexity	426
15205080	Undefined_Atom_Stereo_Count	1
5486	Molecular_Weight	440.6
75310475	Structure_Complexity	815
11966129	Exact_Mass	943.16255437
413540	Hydrogen_Bond_Donor_Count	0
74080	Non-hydrogen_Atom_Count	8
65667	Undefined_Bond_Stereo_Count	0
9832136	Mono_Isotopic_Weight	777.410634
11108856	Covalent_Unit_Count	1
11478	Rotatable_Bond_Count	2
3752	Molecular_Weight	256.09
74180	Hydrogen_Bond_Donor_Count	1
89590	Exact_Mass	164.083729621
208922	TPSA	6.5
406167	Total_Formal_Charge	0
21054637	Non-hydrogen_Atom_Count	7
23545756	TPSA	24.4
89121960	Total_Formal_Charge	0
163050676	Defined_Atom_Stereo_Count	8
6102731	Undefined_Bond_Stereo_Count	0
15938	Total_Formal_Charge	0
603711	Exact_Mass	214.07759887
8911	Total_Formal_Charge	0
11210173	Structure_Complexity	449
135564890	Defined_Bond_Stereo_Count	0
69111	Total_Formal_Charge	0
12669583	Undefined_Atom_Stereo_Count	1
18016	Isotope_Atom_Count	0
95010	Non-hydrogen_Atom_Count	12
10693833	Covalent_Unit_Count	1
18622	Molecular_Weight	238.28
17561	Covalent_Unit_Count	1
58488970	Rotatable_Bond_Count	0
854418	Molecular_Weight	267.28
44395151	Undefined_Bond_Stereo_Count	0
447482	Non-hydrogen_Atom_Count	24
66070288	Rotatable_Bond_Count	2
58232624	XLogP3-AA	1.6
519418	Mono_Isotopic_Weight	157.0658271
21884	Mono_Isotopic_Weight	147.068413911
85289	Non-hydrogen_Atom_Count	40
2737793	Undefined_Bond_Stereo_Count	0
336423	Molecular_Weight	386.5
12820045	TPSA	20.2
139595130	Exact_Mass	527.23263824
142834	Defined_Atom_Stereo_Count	0
62275	Hydrogen_Bond_Acceptor_Count	4
34457	Molecular_Weight	646.6
54580795	Isotope_Atom_Count	0
59630221	XLogP3-AA	2.4
17801761	Isotope_Atom_Count	0
13610389	TPSA	30.7
7990	Structure_Complexity	93.2
9883104	Undefined_Atom_Stereo_Count	0
5283339	Tautomer_Count	4
91053206	Undefined_Atom_Stereo_Count	1
91693	Exact_Mass	283.0643029
135618542	Hydrogen_Bond_Acceptor_Count	14
16551	Structure_Complexity	31.5
3058754	Exact_Mass	397.07079698
12420192	Mono_Isotopic_Weight	111.068413911
77890	Isotope_Atom_Count	0
164563	Undefined_Atom_Stereo_Count	0
62875	Tautomer_Count	1
91731	Undefined_Atom_Stereo_Count	0
59874134	Isotope_Atom_Count	0
90725416	Structure_Complexity	1830
85441390	Non-hydrogen_Atom_Count	7
67768	Structure_Complexity	159
71417	Mono_Isotopic_Weight	313.1557047
73415798	Defined_Bond_Stereo_Count	3
409350	Hydrogen_Bond_Acceptor_Count	4
32594	TPSA	35
141407440	Non-hydrogen_Atom_Count	8
441328	Non-hydrogen_Atom_Count	18
5362391	TPSA	71.8
41384	Undefined_Atom_Stereo_Count	0
6537488	Total_Formal_Charge	0
6558	Rotatable_Bond_Count	1
88473196	Non-hydrogen_Atom_Count	10
3033952	Tautomer_Count	2
71305059	Isotope_Atom_Count	0
144524	Total_Formal_Charge	0
16760207	Structure_Complexity	361
93171	Hydrogen_Bond_Acceptor_Count	0
154091501	Non-hydrogen_Atom_Count	8
91175918	Total_Formal_Charge	0
339231	Undefined_Bond_Stereo_Count	0
10909515	Molecular_Weight	107.11
6328182	Total_Formal_Charge	0
10823890	Undefined_Bond_Stereo_Count	0
10628031	Non-hydrogen_Atom_Count	45
53886733	Hydrogen_Bond_Donor_Count	0
3032307	Molecular_Weight	288.4
36663	Rotatable_Bond_Count	3
35711	Tautomer_Count	1
52949613	Undefined_Atom_Stereo_Count	0
54016283	Undefined_Bond_Stereo_Count	0
97638	Exact_Mass	152.083729621
136649153	Hydrogen_Bond_Acceptor_Count	3
1771194	Isotope_Atom_Count	0
394347	Defined_Bond_Stereo_Count	0
9909392	Hydrogen_Bond_Donor_Count	2
23712863	Undefined_Bond_Stereo_Count	0
5353646	TPSA	76.8
49692	Molecular_Weight	379.4
7677	Defined_Bond_Stereo_Count	0
15758	Hydrogen_Bond_Donor_Count	2
328	Rotatable_Bond_Count	2
129633772	Exact_Mass	342.11621151
13123887	Hydrogen_Bond_Acceptor_Count	2
46854655	TPSA	46.5
135539121	Total_Formal_Charge	0
15566624	Structure_Complexity	100
9948896	Structure_Complexity	518
9911830	Mono_Isotopic_Weight	454.1043974
24780352	Defined_Bond_Stereo_Count	0
160458	Rotatable_Bond_Count	0
8425	Molecular_Weight	218.68
54758405	Total_Formal_Charge	0
54467044	Structure_Complexity	104
20984	XLogP3-AA	0.4
402871	Hydrogen_Bond_Donor_Count	0
98048103	Hydrogen_Bond_Acceptor_Count	16
71391652	Hydrogen_Bond_Donor_Count	0
130054486	Defined_Bond_Stereo_Count	0
93128	Defined_Atom_Stereo_Count	0
472812	Isotope_Atom_Count	0
3011721	Rotatable_Bond_Count	11
5281168	Tautomer_Count	1
87425008	Molecular_Weight	349.2
77290	Defined_Atom_Stereo_Count	0
135565589	Hydrogen_Bond_Acceptor_Count	13
274075	TPSA	58.1
138492	Hydrogen_Bond_Acceptor_Count	4
10701	Total_Formal_Charge	0
10813807	XLogP3-AA	1
835411	Non-hydrogen_Atom_Count	21
13019050	Non-hydrogen_Atom_Count	30
508194	Structure_Complexity	1090
12694695	Covalent_Unit_Count	1
4611851	Undefined_Atom_Stereo_Count	1
62210	Undefined_Bond_Stereo_Count	0
87079616	Non-hydrogen_Atom_Count	8
15657508	Non-hydrogen_Atom_Count	7
3064674	Non-hydrogen_Atom_Count	26
123920	Covalent_Unit_Count	1
12310714	Defined_Atom_Stereo_Count	2
2723872	Hydrogen_Bond_Acceptor_Count	6
69588	Total_Formal_Charge	0
14830385	Molecular_Weight	117.10
95083	Defined_Atom_Stereo_Count	0
90643	Hydrogen_Bond_Acceptor_Count	0
53595	Hydrogen_Bond_Acceptor_Count	13
29385	Hydrogen_Bond_Donor_Count	0
12432039	Non-hydrogen_Atom_Count	6
11597936	Hydrogen_Bond_Donor_Count	1
2370	Hydrogen_Bond_Acceptor_Count	2
4366	Molecular_Weight	188.23
24775	Molecular_Weight	294.4
24759089	Exact_Mass	432.17975526
57280	TPSA	37.6
6419722	Mono_Isotopic_Weight	121.01974964
208832	Rotatable_Bond_Count	7
9989224	Tautomer_Count	4
124087	Structure_Complexity	425
71277	Molecular_Weight	790.0
10350481	Non-hydrogen_Atom_Count	58
136219152	XLogP3-AA	4.6
30468	Molecular_Weight	218.08
140159201	Structure_Complexity	52
6432709	XLogP3-AA	3.9
23505018	Defined_Bond_Stereo_Count	0
11566	Mono_Isotopic_Weight	114.104465066
4431756	Hydrogen_Bond_Acceptor_Count	3
1897	TPSA	77.8
1139	Molecular_Weight	322.21
60154327	Exact_Mass	319.0948358
13346	Hydrogen_Bond_Acceptor_Count	5
15639205	Hydrogen_Bond_Acceptor_Count	2
18730046	Defined_Bond_Stereo_Count	0
71517699	Undefined_Atom_Stereo_Count	0
22507733	Structure_Complexity	52
11269429	Non-hydrogen_Atom_Count	29
72325	Molecular_Weight	422.5
643981	Defined_Atom_Stereo_Count	8
93841	Molecular_Weight	258.31
10321331	Exact_Mass	191.0753733
589313	TPSA	41.6
16760577	Rotatable_Bond_Count	6
24989869	Molecular_Weight	415.5
398739	Molecular_Weight	337.34
8986	XLogP3-AA	3.3
55287377	Structure_Complexity	94.4
3415	Hydrogen_Bond_Donor_Count	3
24827	Mono_Isotopic_Weight	130.062994177
13473	Non-hydrogen_Atom_Count	22
74229	Defined_Atom_Stereo_Count	0
5326751	Molecular_Weight	568.3
22990584	XLogP3-AA	1.6
6433192	Non-hydrogen_Atom_Count	65
69282	Mono_Isotopic_Weight	246.07145086
30868	XLogP3-AA	8.1
443158	Exact_Mass	154.135765193
76374506	Molecular_Weight	541.6
196445	Total_Formal_Charge	0
9865554	Total_Formal_Charge	0
66550979	Hydrogen_Bond_Donor_Count	2
8485	XLogP3	7
72589	Total_Formal_Charge	0
4451	Undefined_Atom_Stereo_Count	5
44427236	Non-hydrogen_Atom_Count	29
96796	Covalent_Unit_Count	1
2734250	Undefined_Bond_Stereo_Count	0
57390867	Defined_Bond_Stereo_Count	0
9425	Undefined_Bond_Stereo_Count	0
12309466	TPSA	54.7
133268492	Exact_Mass	733.52411623
46485	Hydrogen_Bond_Donor_Count	2
5281025	TPSA	222
16556	Exact_Mass	222.173213330
12302681	Covalent_Unit_Count	1
87481019	TPSA	17.1
69946325	Isotope_Atom_Count	0
11650	TPSA	209
681809	Defined_Bond_Stereo_Count	0
2804680	Rotatable_Bond_Count	2
118572065	Covalent_Unit_Count	1
16218644	Defined_Atom_Stereo_Count	0
26970	Undefined_Bond_Stereo_Count	0
15774823	Structure_Complexity	106
446069	Structure_Complexity	417
30220	Non-hydrogen_Atom_Count	9
129600765	Hydrogen_Bond_Acceptor_Count	11
123298319	Defined_Atom_Stereo_Count	0
73584	Defined_Atom_Stereo_Count	1
5281951	Defined_Atom_Stereo_Count	0
68489225	Structure_Complexity	534
119025724	Defined_Bond_Stereo_Count	0
62425	Hydrogen_Bond_Donor_Count	0
11170938	Covalent_Unit_Count	1
70945	Mono_Isotopic_Weight	126.068079557
21321822	Defined_Atom_Stereo_Count	0
25087171	Exact_Mass	184.952958
13510025	Undefined_Atom_Stereo_Count	0
45488107	Structure_Complexity	722
54597740	Undefined_Bond_Stereo_Count	0
11979704	Non-hydrogen_Atom_Count	77
164076539	Defined_Bond_Stereo_Count	0
64361	Structure_Complexity	460
16139605	Molecular_Weight	3752.1
12493366	TPSA	32.1
122188	Undefined_Bond_Stereo_Count	0
43815	Hydrogen_Bond_Donor_Count	1
69498345	Defined_Bond_Stereo_Count	0
27642	Covalent_Unit_Count	1
53424410	Rotatable_Bond_Count	1
54910	Mono_Isotopic_Weight	261.0556563
3605	Defined_Atom_Stereo_Count	0
101625661	Hydrogen_Bond_Donor_Count	2
3538	TPSA	69.2
89181	Exact_Mass	142.135765193
74406	Undefined_Atom_Stereo_Count	0
651720	TPSA	95.7
71457280	Tautomer_Count	32
3996620	Covalent_Unit_Count	1
3960	Covalent_Unit_Count	1
59473233	Exact_Mass	411.18075832
7379	Mono_Isotopic_Weight	164.120115130
75227	Defined_Atom_Stereo_Count	0
517	Undefined_Atom_Stereo_Count	4
10437728	Mono_Isotopic_Weight	557.17737004
6713428	Rotatable_Bond_Count	1
15723	Defined_Atom_Stereo_Count	0
10614	XLogP3-AA	5.3
991	XLogP3	3.8
99334	Hydrogen_Bond_Donor_Count	0
143682218	Hydrogen_Bond_Acceptor_Count	1
448601	Molecular_Weight	1019.2
445455	Undefined_Atom_Stereo_Count	0
1000	Mono_Isotopic_Weight	137.084063974
129012189	Hydrogen_Bond_Donor_Count	4
21699428	Molecular_Weight	109.13
75310475	Rotatable_Bond_Count	10
94412	Hydrogen_Bond_Donor_Count	1
41353	Undefined_Bond_Stereo_Count	0
11310242	XLogP3-AA	5.4
23158703	Isotope_Atom_Count	0
25526	Covalent_Unit_Count	1
3047798	Covalent_Unit_Count	1
118161592	Defined_Bond_Stereo_Count	0
23673604	Structure_Complexity	328
153970	TPSA	135
72155	Exact_Mass	307.1451400
79302	Structure_Complexity	132
88007	Undefined_Atom_Stereo_Count	0
20298629	Non-hydrogen_Atom_Count	13
5284596	Molecular_Weight	327.4
18989672	Hydrogen_Bond_Acceptor_Count	0
73364	TPSA	84.5
56843375	Rotatable_Bond_Count	60
9413	Isotope_Atom_Count	0
98621118	Defined_Atom_Stereo_Count	6
1815	Molecular_Weight	417.28
85538	Undefined_Atom_Stereo_Count	0
11542775	Rotatable_Bond_Count	3
22480816	Rotatable_Bond_Count	1
4353	Isotope_Atom_Count	0
222536	Hydrogen_Bond_Donor_Count	0
17963336	Undefined_Atom_Stereo_Count	0
2723949	Mono_Isotopic_Weight	75.01427034
5107	Defined_Atom_Stereo_Count	0
34815	Structure_Complexity	315
13878035	Non-hydrogen_Atom_Count	28
16048613	Undefined_Bond_Stereo_Count	0
135537958	Undefined_Atom_Stereo_Count	0
47547	TPSA	62.7
445	Tautomer_Count	1
439811	Covalent_Unit_Count	1
164330	Hydrogen_Bond_Donor_Count	12
3095	Exact_Mass	377.19909372
67128140	Non-hydrogen_Atom_Count	8
128820	Defined_Atom_Stereo_Count	0
89127533	Molecular_Weight	115.13
4389	Rotatable_Bond_Count	4
4122	Covalent_Unit_Count	1
3082781	Undefined_Atom_Stereo_Count	0
5464110	Covalent_Unit_Count	2
47909	Undefined_Bond_Stereo_Count	1
171257	Covalent_Unit_Count	2
9916489	Structure_Complexity	880
43601	Mono_Isotopic_Weight	97.052763847
3859614	Undefined_Atom_Stereo_Count	0
53879576	Mono_Isotopic_Weight	101.084063974
172309	Hydrogen_Bond_Donor_Count	0
9015	Molecular_Weight	124.14
3611392	Rotatable_Bond_Count	6
10796703	Structure_Complexity	76.2
550642	Hydrogen_Bond_Acceptor_Count	1
851033	Undefined_Atom_Stereo_Count	0
67434749	Mono_Isotopic_Weight	100.100048391
88045	Undefined_Bond_Stereo_Count	0
18711468	Non-hydrogen_Atom_Count	7
44552607	Undefined_Atom_Stereo_Count	1
190	Total_Formal_Charge	0
121719	Tautomer_Count	2
1221	TPSA	102
16218643	Molecular_Weight	430.6
146779553	TPSA	0
130354549	Molecular_Weight	100.12
12755803	TPSA	9.2
586156	Isotope_Atom_Count	0
8378	Hydrogen_Bond_Acceptor_Count	19
22857281	Undefined_Atom_Stereo_Count	0
62238	Total_Formal_Charge	0
21622656	Defined_Atom_Stereo_Count	0
2842	Undefined_Atom_Stereo_Count	5
20714804	TPSA	26.3
11754394	Exact_Mass	468.18312656
3035850	Mono_Isotopic_Weight	544.01228
15805	TPSA	21.7
5373493	Covalent_Unit_Count	1
54587226	Molecular_Weight	366.4
21638785	Undefined_Atom_Stereo_Count	0
439198	Rotatable_Bond_Count	3
103	Undefined_Bond_Stereo_Count	0
98703	TPSA	41.1
905	Covalent_Unit_Count	1
21958	Undefined_Atom_Stereo_Count	0
24866358	Structure_Complexity	635
3343	Defined_Bond_Stereo_Count	0
19966	Exact_Mass	84.093900383
20517187	Isotope_Atom_Count	0
12338093	Exact_Mass	214.04371528
57399438	Exact_Mass	416.31512653
945090	Covalent_Unit_Count	1
5282450	Isotope_Atom_Count	0
135436537	Molecular_Weight	431.4
9830317	Tautomer_Count	1
15150444	Undefined_Bond_Stereo_Count	0
64628	Structure_Complexity	813
71312102	Covalent_Unit_Count	5
45256294	Molecular_Weight	402.4
551778	TPSA	51.2
134572252	Structure_Complexity	98.6
3061720	Total_Formal_Charge	0
84	Undefined_Atom_Stereo_Count	6
524217	TPSA	9.2
258030	XLogP3-AA	2
25086585	Undefined_Bond_Stereo_Count	0
154825561	TPSA	206
21872002	Hydrogen_Bond_Acceptor_Count	2
7663	Hydrogen_Bond_Donor_Count	0
91996283	Hydrogen_Bond_Acceptor_Count	4
71590622	Undefined_Atom_Stereo_Count	1
6604757	Undefined_Atom_Stereo_Count	0
54023535	XLogP3-AA	1.7
103544	Isotope_Atom_Count	0
10553	Molecular_Weight	70.13
135391180	Undefined_Atom_Stereo_Count	0
9037	Defined_Bond_Stereo_Count	0
57829	Mono_Isotopic_Weight	196.0421705
18195	Undefined_Bond_Stereo_Count	0
8797	Defined_Bond_Stereo_Count	0
11951726	Exact_Mass	388.11693871
31060	Defined_Atom_Stereo_Count	0
68316758	Non-hydrogen_Atom_Count	8
20324725	Undefined_Bond_Stereo_Count	0
9723	Defined_Bond_Stereo_Count	0
68260836	Undefined_Atom_Stereo_Count	2
58714	Structure_Complexity	187
228987	Non-hydrogen_Atom_Count	15
24776140	TPSA	77.4
13066	Molecular_Weight	228.31
6473973	Covalent_Unit_Count	1
393601	Defined_Bond_Stereo_Count	0
3083802	Mono_Isotopic_Weight	316.1553704
99404	Hydrogen_Bond_Acceptor_Count	1
9248	Tautomer_Count	1
20852	Defined_Bond_Stereo_Count	0
5484438	Mono_Isotopic_Weight	407.19440226
68689	Defined_Atom_Stereo_Count	0
88287569	Undefined_Atom_Stereo_Count	2
13619723	TPSA	12
5710148	Total_Formal_Charge	0
20965	Rotatable_Bond_Count	6
22772	Rotatable_Bond_Count	2
136400	Undefined_Atom_Stereo_Count	0
90788020	Exact_Mass	114.068079557
136159800	Exact_Mass	110.02286070
3353976	Exact_Mass	191.07284784
12674802	XLogP3-AA	4.2
18712663	Covalent_Unit_Count	1
69930345	Total_Formal_Charge	0
638066	Undefined_Atom_Stereo_Count	0
22326	XLogP3-AA	1.5
547110	Covalent_Unit_Count	1
61278	Exact_Mass	86.036779430
39184	TPSA	91.6
17174	Hydrogen_Bond_Donor_Count	0
12336279	Hydrogen_Bond_Donor_Count	1
9952446	Exact_Mass	392.15699200
17480032	Molecular_Weight	343.36
6333901	Defined_Bond_Stereo_Count	0
139626115	Non-hydrogen_Atom_Count	7
6604100	Defined_Bond_Stereo_Count	1
23279315	Defined_Atom_Stereo_Count	0
123835510	Undefined_Atom_Stereo_Count	3
23265	Rotatable_Bond_Count	2
97616695	Undefined_Atom_Stereo_Count	0
10633	Defined_Atom_Stereo_Count	7
57369982	Hydrogen_Bond_Acceptor_Count	7
6359	TPSA	0
447700	Exact_Mass	426.0650312
68940	Structure_Complexity	685
134695356	TPSA	194
6971070	Exact_Mass	179.03443370
178080	Structure_Complexity	545
439271	Total_Formal_Charge	0
86811257	TPSA	37.3
7413	Isotope_Atom_Count	0
7855	Rotatable_Bond_Count	0
20826383	Undefined_Bond_Stereo_Count	0
2759227	Covalent_Unit_Count	1
65647	Hydrogen_Bond_Acceptor_Count	4
191468	Undefined_Bond_Stereo_Count	0
12711601	XLogP3-AA	1.4
2737358	Covalent_Unit_Count	1
2119	Molecular_Weight	249.35
10218	Exact_Mass	466.28315770
77532	Undefined_Atom_Stereo_Count	0
7048533	Exact_Mass	299.04501564
139088049	Covalent_Unit_Count	6
91199926	Non-hydrogen_Atom_Count	8
263076	Covalent_Unit_Count	1
91438571	XLogP3-AA	1.5
88154	Undefined_Atom_Stereo_Count	0
5325710	Undefined_Atom_Stereo_Count	0
18352108	Hydrogen_Bond_Acceptor_Count	2
95102	Tautomer_Count	1
199539	Hydrogen_Bond_Acceptor_Count	1
18369938	Rotatable_Bond_Count	1
76084	Defined_Atom_Stereo_Count	0
631	Rotatable_Bond_Count	16
27596	Undefined_Bond_Stereo_Count	0
2775941	XLogP3-AA	9.4
9727	Non-hydrogen_Atom_Count	11
2284259	TPSA	54.4
66707439	Exact_Mass	166.01268994
2861016	Molecular_Weight	284.29
68290287	Total_Formal_Charge	0
10700	Tautomer_Count	1
44123551	Isotope_Atom_Count	0
70686471	Isotope_Atom_Count	0
46933	Hydrogen_Bond_Acceptor_Count	3
721137	Mono_Isotopic_Weight	292.0502366
124085867	Non-hydrogen_Atom_Count	32
9961192	Total_Formal_Charge	0
124838013	Non-hydrogen_Atom_Count	59
24848271	Molecular_Weight	256.36
5463599	XLogP3-AA	3.5
45588109	Hydrogen_Bond_Acceptor_Count	5
6327114	Tautomer_Count	1
129812304	XLogP3-AA	1.7
54288465	Structure_Complexity	87.7
7622	TPSA	3.2
53322382	Hydrogen_Bond_Acceptor_Count	4
129688356	Molecular_Weight	235.26
154237264	Hydrogen_Bond_Donor_Count	0
138076	Covalent_Unit_Count	1
44607530	Molecular_Weight	495.0
6295	Isotope_Atom_Count	0
5368053	Hydrogen_Bond_Acceptor_Count	5
136459	Undefined_Bond_Stereo_Count	0
136504	Defined_Bond_Stereo_Count	0
518234	Hydrogen_Bond_Acceptor_Count	1
554363	Defined_Bond_Stereo_Count	0
44560668	Molecular_Weight	401.5
6538991	Defined_Atom_Stereo_Count	0
52346	TPSA	66.9
17750962	Covalent_Unit_Count	2
42761	Isotope_Atom_Count	0
72401	Non-hydrogen_Atom_Count	30
2724192	Undefined_Atom_Stereo_Count	0
992406	Non-hydrogen_Atom_Count	24
98626	Undefined_Bond_Stereo_Count	0
153986581	Undefined_Bond_Stereo_Count	0
455798	TPSA	138
680429	Defined_Bond_Stereo_Count	0
73285	Structure_Complexity	409
149164152	Isotope_Atom_Count	0
5815211	Tautomer_Count	1
144813235	Undefined_Bond_Stereo_Count	0
44570889	Hydrogen_Bond_Donor_Count	2
102358067	Hydrogen_Bond_Donor_Count	0
121494058	Defined_Atom_Stereo_Count	4
11947765	Isotope_Atom_Count	0
440996	Exact_Mass	301.05626809
57750369	Total_Formal_Charge	0
159678	Molecular_Weight	324.27
135438601	Tautomer_Count	9
22998467	Undefined_Bond_Stereo_Count	0
13306871	Tautomer_Count	1
13740445	TPSA	25.2
4394	Exact_Mass	456.27365564
79337	Non-hydrogen_Atom_Count	16
24833843	Molecular_Weight	500.6
15130827	Covalent_Unit_Count	1
57403154	Structure_Complexity	416
67656913	Isotope_Atom_Count	0
33258	Isotope_Atom_Count	0
92806	Non-hydrogen_Atom_Count	24
13600041	Non-hydrogen_Atom_Count	7
20060494	Molecular_Weight	100.16
79012	Tautomer_Count	1
18717626	Hydrogen_Bond_Donor_Count	1
66255	XLogP3-AA	3.8
129849349	Covalent_Unit_Count	1
44565779	Isotope_Atom_Count	0
7241	Rotatable_Bond_Count	0
146159225	Isotope_Atom_Count	0
12532	Total_Formal_Charge	0
27423	Undefined_Atom_Stereo_Count	0
34208	Covalent_Unit_Count	1
3423265	Rotatable_Bond_Count	12
67611425	Covalent_Unit_Count	1
820051	TPSA	65.2
73707356	Mono_Isotopic_Weight	450.27298694
9304	Structure_Complexity	300
25169382	Rotatable_Bond_Count	3
31295	Total_Formal_Charge	0
90437	Defined_Atom_Stereo_Count	1
80032	Isotope_Atom_Count	0
18747	Tautomer_Count	2
10460941	Rotatable_Bond_Count	12
182677	Covalent_Unit_Count	1
555949	Total_Formal_Charge	0
72741573	XLogP3-AA	0.8
71485	Defined_Atom_Stereo_Count	9
105427022	Undefined_Atom_Stereo_Count	0
44457968	Defined_Bond_Stereo_Count	0
13925600	Hydrogen_Bond_Donor_Count	1
11974213	Isotope_Atom_Count	0
72725	Isotope_Atom_Count	0
38988322	Total_Formal_Charge	0
220834	Structure_Complexity	199
557171	Covalent_Unit_Count	1
8566	Isotope_Atom_Count	0
3032279	Undefined_Bond_Stereo_Count	0
68203	Undefined_Atom_Stereo_Count	0
12476693	XLogP3-AA	0
97736	Exact_Mass	239.094628657
19883347	Tautomer_Count	1
54600009	Covalent_Unit_Count	2
825744	XLogP3-AA	3.6
2356882	Defined_Bond_Stereo_Count	0
27665	TPSA	12.9
5364079	Rotatable_Bond_Count	3
12136798	Total_Formal_Charge	0
8817	Non-hydrogen_Atom_Count	9
4306436	Structure_Complexity	436
22459174	Mono_Isotopic_Weight	113.03375974
10689555	Hydrogen_Bond_Acceptor_Count	9
3738	Isotope_Atom_Count	0
107751	Undefined_Bond_Stereo_Count	0
4043	Defined_Atom_Stereo_Count	0
15690647	Isotope_Atom_Count	0
12293	Structure_Complexity	99.7
9630	Total_Formal_Charge	0
667495	XLogP3-AA	2.4
3855171	Mono_Isotopic_Weight	246.96609661
123558404	TPSA	20.3
4302960	XLogP3-AA	4.8
70935	Structure_Complexity	128
1792	XLogP3	2.2
23116322	Molecular_Weight	574.7
53708664	Defined_Bond_Stereo_Count	0
11680542	Covalent_Unit_Count	2
2192	Defined_Bond_Stereo_Count	0
91364344	TPSA	20.2
2963	Hydrogen_Bond_Acceptor_Count	3
66545742	Undefined_Atom_Stereo_Count	0
163714395	Rotatable_Bond_Count	1
131225344	Rotatable_Bond_Count	0
5352833	Covalent_Unit_Count	1
15678	Isotope_Atom_Count	0
72304	Total_Formal_Charge	0
7695	XLogP3	1.9
6806	Total_Formal_Charge	0
11504295	Exact_Mass	386.18417193
53796209	Covalent_Unit_Count	1
5353970	Hydrogen_Bond_Donor_Count	1
86052146	Rotatable_Bond_Count	3
3081387	Undefined_Bond_Stereo_Count	0
139336513	Molecular_Weight	112.17
3434	Defined_Bond_Stereo_Count	0
398741	Exact_Mass	237.08406
43708	Non-hydrogen_Atom_Count	34
134694664	Isotope_Atom_Count	0
77449069	Total_Formal_Charge	0
25023847	Molecular_Weight	419.8
18710462	Total_Formal_Charge	0
5363097	Total_Formal_Charge	0
6918485	Covalent_Unit_Count	1
130770920	Defined_Atom_Stereo_Count	0
57090177	TPSA	28.7
3668575	Non-hydrogen_Atom_Count	21
129672477	Hydrogen_Bond_Donor_Count	5
3413278	Total_Formal_Charge	1
36332	Non-hydrogen_Atom_Count	12
66261	Hydrogen_Bond_Donor_Count	0
4653	Isotope_Atom_Count	0
69161653	Mono_Isotopic_Weight	111.068413911
20129	XLogP3-AA	1.6
154699876	Covalent_Unit_Count	1
68321947	Non-hydrogen_Atom_Count	28
129009962	Non-hydrogen_Atom_Count	115
53562	Structure_Complexity	343
72416	TPSA	46.2
408714	Structure_Complexity	352
153977505	Undefined_Bond_Stereo_Count	0
24883429	Isotope_Atom_Count	0
2570	Rotatable_Bond_Count	2
20136781	Structure_Complexity	1010
11088	Exact_Mass	549.98658
74904	Exact_Mass	166.099379685
70864	Rotatable_Bond_Count	7
147614	Undefined_Atom_Stereo_Count	0
94508	Isotope_Atom_Count	0
21333560	Total_Formal_Charge	0
5521	Total_Formal_Charge	0
13758358	Defined_Bond_Stereo_Count	0
74454	Isotope_Atom_Count	0
72165228	Undefined_Bond_Stereo_Count	0
186148	Rotatable_Bond_Count	0
9815299	Undefined_Atom_Stereo_Count	0
45359047	Defined_Atom_Stereo_Count	6
21019	XLogP3-AA	1.8
16490	Isotope_Atom_Count	0
29396	Hydrogen_Bond_Donor_Count	2
10154007	Structure_Complexity	64
13595226	Undefined_Atom_Stereo_Count	1
57391458	Undefined_Bond_Stereo_Count	0
13738	TPSA	42.2
11819049	Mono_Isotopic_Weight	100.088815002
12171	Undefined_Atom_Stereo_Count	0
21584147	Molecular_Weight	100.12
67494396	TPSA	79.8
1752534	Rotatable_Bond_Count	3
3644	Rotatable_Bond_Count	3
67361	Hydrogen_Bond_Acceptor_Count	3
76196	Molecular_Weight	238.3
6992563	Tautomer_Count	4
3289	Molecular_Weight	242.3
6919078	Molecular_Weight	171.24
4528	Undefined_Atom_Stereo_Count	1
71450703	XLogP3-AA	2.7
14336	Undefined_Atom_Stereo_Count	0
736282	TPSA	40.5
11420409	TPSA	103
17100	Rotatable_Bond_Count	1
45358438	XLogP3-AA	3.2
75776	Tautomer_Count	1
10329273	Defined_Bond_Stereo_Count	0
1582	Undefined_Bond_Stereo_Count	0
258	Hydrogen_Bond_Acceptor_Count	7
14959372	Exact_Mass	215.094628657
5462951	Exact_Mass	118.078250319
140607	Hydrogen_Bond_Donor_Count	0
68258	Undefined_Bond_Stereo_Count	0
142044455	Undefined_Bond_Stereo_Count	0
56846451	Defined_Atom_Stereo_Count	0
137427383	Undefined_Bond_Stereo_Count	0
62656	Hydrogen_Bond_Acceptor_Count	1
700489	TPSA	74.9
32872	Undefined_Atom_Stereo_Count	1
80349	Rotatable_Bond_Count	2
10251906	XLogP3-AA	3.8
9860946	Hydrogen_Bond_Donor_Count	1
71459165	Covalent_Unit_Count	1
16295	Hydrogen_Bond_Donor_Count	0
644275	Rotatable_Bond_Count	79
9817140	XLogP3-AA	3.1
57358493	Hydrogen_Bond_Donor_Count	4
123631	Rotatable_Bond_Count	8
88022	Covalent_Unit_Count	1
67488	Non-hydrogen_Atom_Count	10
84986	Structure_Complexity	219
99068	Hydrogen_Bond_Acceptor_Count	2
977	Rotatable_Bond_Count	0
668620	Exact_Mass	310.13511374
85821	Hydrogen_Bond_Acceptor_Count	2
134836185	Isotope_Atom_Count	0
48305	Non-hydrogen_Atom_Count	27
443201	Hydrogen_Bond_Donor_Count	4
20387228	Non-hydrogen_Atom_Count	8
81732	Undefined_Atom_Stereo_Count	0
328	Undefined_Atom_Stereo_Count	1
68402550	TPSA	38
25244048	Exact_Mass	139.063328530
442941	Undefined_Atom_Stereo_Count	0
17534	Tautomer_Count	1
121290477	Undefined_Atom_Stereo_Count	9
99404	Isotope_Atom_Count	0
44462985	Hydrogen_Bond_Donor_Count	0
20232381	XLogP3-AA	1
166957	Structure_Complexity	0
14060968	XLogP3-AA	0
65092	XLogP3-AA	0.6
9901	Mono_Isotopic_Weight	312.208930132
5388949	Total_Formal_Charge	0
12358803	Isotope_Atom_Count	0
219077	TPSA	43.9
20782632	Total_Formal_Charge	0
121893	Rotatable_Bond_Count	8
66827369	Structure_Complexity	72.2
70690634	TPSA	108
53628440	Defined_Bond_Stereo_Count	0
43986	Hydrogen_Bond_Donor_Count	0
12731218	Defined_Bond_Stereo_Count	0
31249	Defined_Atom_Stereo_Count	0
70260	Isotope_Atom_Count	0
93009	XLogP3	3.3
84614	Hydrogen_Bond_Acceptor_Count	4
53395259	Rotatable_Bond_Count	8
54575456	Covalent_Unit_Count	1
53847404	Defined_Bond_Stereo_Count	0
2697	Hydrogen_Bond_Acceptor_Count	6
53319739	Covalent_Unit_Count	1
149396638	Hydrogen_Bond_Donor_Count	0
11499271	Rotatable_Bond_Count	2
21576	Tautomer_Count	8
6537488	Mono_Isotopic_Weight	199.04807239
5334	Rotatable_Bond_Count	4
72614909	Undefined_Atom_Stereo_Count	0
66038870	Structure_Complexity	102
6834	Defined_Atom_Stereo_Count	0
68321815	TPSA	77.2
28810	Hydrogen_Bond_Donor_Count	1
5284633	Total_Formal_Charge	0
44146477	Exact_Mass	371.1499506
130804	Defined_Bond_Stereo_Count	0
10913	Undefined_Atom_Stereo_Count	0
87412180	Undefined_Bond_Stereo_Count	0
55212037	Undefined_Bond_Stereo_Count	0
10032582	Undefined_Atom_Stereo_Count	0
6433427	Defined_Atom_Stereo_Count	0
8422	Defined_Bond_Stereo_Count	0
118499237	Isotope_Atom_Count	0
12704953	Isotope_Atom_Count	0
135399235	XLogP3-AA	1.6
6627	Undefined_Atom_Stereo_Count	0
18954572	Isotope_Atom_Count	0
118578546	Total_Formal_Charge	0
15830	Molecular_Weight	139.15
107214	TPSA	35.5
88323	Covalent_Unit_Count	1
10317	Hydrogen_Bond_Donor_Count	2
7969	Exact_Mass	110.01902136
16084	Hydrogen_Bond_Donor_Count	3
58024825	Undefined_Atom_Stereo_Count	0
9955951	Isotope_Atom_Count	0
542556	Undefined_Atom_Stereo_Count	0
25203894	Undefined_Atom_Stereo_Count	0
3015798	TPSA	90.7
543909	Defined_Atom_Stereo_Count	0
76008	Undefined_Atom_Stereo_Count	0
43146	Mono_Isotopic_Weight	251.131014166
12478167	Defined_Bond_Stereo_Count	0
36149	Covalent_Unit_Count	1
16197725	Tautomer_Count	986
153754883	Defined_Bond_Stereo_Count	0
91285707	Hydrogen_Bond_Donor_Count	0
101001463	Structure_Complexity	688
53346603	Isotope_Atom_Count	0
88406	Undefined_Atom_Stereo_Count	0
12643154	Isotope_Atom_Count	0
3849989	Hydrogen_Bond_Acceptor_Count	2
2724	Mono_Isotopic_Weight	245.0454856
25254	Non-hydrogen_Atom_Count	6
92321	Total_Formal_Charge	0
23676735	Defined_Atom_Stereo_Count	0
12961638	Hydrogen_Bond_Acceptor_Count	5
84866	Undefined_Atom_Stereo_Count	0
170366	Undefined_Atom_Stereo_Count	2
556492	TPSA	20.2
6918678	Mono_Isotopic_Weight	361.12738533
101219	Hydrogen_Bond_Acceptor_Count	2
4051	Structure_Complexity	634
50993725	Covalent_Unit_Count	1
1821	Hydrogen_Bond_Donor_Count	4
14089202	Total_Formal_Charge	0
5284537	XLogP3-AA	3.1
10962	Defined_Bond_Stereo_Count	0
9862	Rotatable_Bond_Count	3
15257	Total_Formal_Charge	0
8799	Mono_Isotopic_Weight	359.960203
108207	Molecular_Weight	344.4
5457	Hydrogen_Bond_Donor_Count	0
3083544	Non-hydrogen_Atom_Count	25
70065832	Isotope_Atom_Count	0
40903	Hydrogen_Bond_Donor_Count	0
47151	Undefined_Atom_Stereo_Count	0
123803633	Molecular_Weight	342.30
53641062	Undefined_Atom_Stereo_Count	0
9808235	Tautomer_Count	1
123959	Mono_Isotopic_Weight	949.49494136
12441659	Hydrogen_Bond_Donor_Count	0
9258	Total_Formal_Charge	0
2122	Hydrogen_Bond_Acceptor_Count	8
70693548	Isotope_Atom_Count	0
8795	Mono_Isotopic_Weight	129.126597491
9967	Undefined_Bond_Stereo_Count	0
220338	Defined_Atom_Stereo_Count	5
23667568	TPSA	85.8
9567537	TPSA	176
44563145	Exact_Mass	382.19173754
729	Total_Formal_Charge	0
6427991	Defined_Atom_Stereo_Count	0
11737	Total_Formal_Charge	0
61305	Covalent_Unit_Count	1
10374	Defined_Atom_Stereo_Count	0
136891	Hydrogen_Bond_Acceptor_Count	1
15535273	Exact_Mass	96.057514874
44545852	Hydrogen_Bond_Donor_Count	1
31276	Isotope_Atom_Count	0
3301	Hydrogen_Bond_Donor_Count	2
73513	XLogP3-AA	1.5
11463807	XLogP3-AA	3.6
139060478	Defined_Atom_Stereo_Count	0
223866	Mono_Isotopic_Weight	408.20490738
25051993	Rotatable_Bond_Count	6
8363	Mono_Isotopic_Weight	228.078644241
22221737	Covalent_Unit_Count	2
693507	Structure_Complexity	435
139692455	Mono_Isotopic_Weight	73.052763847
136490	Rotatable_Bond_Count	2
15710945	Non-hydrogen_Atom_Count	30
1732	Non-hydrogen_Atom_Count	9
11355992	Structure_Complexity	87.7
82593565	Undefined_Atom_Stereo_Count	0
38040	Hydrogen_Bond_Acceptor_Count	0
5050	Total_Formal_Charge	0
24884255	Isotope_Atom_Count	0
96457	Molecular_Weight	117.11
4045	Isotope_Atom_Count	0
129652979	Exact_Mass	98.036779430
22082840	Covalent_Unit_Count	1
138579	Covalent_Unit_Count	1
13180929	Molecular_Weight	108.14
12444299	TPSA	144
9037	Undefined_Atom_Stereo_Count	0
65036	Total_Formal_Charge	0
18358	Defined_Atom_Stereo_Count	0
2216	Hydrogen_Bond_Acceptor_Count	2
71541190	Undefined_Bond_Stereo_Count	0
8797	Undefined_Atom_Stereo_Count	0
101621557	Total_Formal_Charge	0
2484	XLogP3	6.3
158698	Undefined_Bond_Stereo_Count	0
9939627	Rotatable_Bond_Count	21
44475990	Hydrogen_Bond_Donor_Count	2
45380791	Defined_Atom_Stereo_Count	0
6710664	Total_Formal_Charge	0
12479058	Hydrogen_Bond_Donor_Count	0
88948	Defined_Atom_Stereo_Count	0
57401684	Defined_Atom_Stereo_Count	0
4557	Covalent_Unit_Count	1
70333	Molecular_Weight	170.25
40998	Mono_Isotopic_Weight	409.1422784
67214459	Defined_Bond_Stereo_Count	0
6913185	Exact_Mass	400.0381477
46203391	Defined_Atom_Stereo_Count	0
57404290	Undefined_Atom_Stereo_Count	1
163594	Undefined_Bond_Stereo_Count	0
97991	Mono_Isotopic_Weight	175.099714038
5009	Hydrogen_Bond_Donor_Count	1
3354	Non-hydrogen_Atom_Count	29
37270	XLogP3	7.5
3714	Covalent_Unit_Count	1
18783247	Mono_Isotopic_Weight	150.042927438
119083105	Molecular_Weight	107.11
19352565	Hydrogen_Bond_Acceptor_Count	1
57401681	Undefined_Atom_Stereo_Count	0
131704232	Undefined_Atom_Stereo_Count	1
66704605	Undefined_Bond_Stereo_Count	1
11083834	Defined_Bond_Stereo_Count	0
447407	Defined_Bond_Stereo_Count	0
55473	Non-hydrogen_Atom_Count	26
15904927	TPSA	52
11552706	Rotatable_Bond_Count	6
6015423	Structure_Complexity	570
38464	Covalent_Unit_Count	1
98070685	Total_Formal_Charge	1
10770	Molecular_Weight	261.36
5460541	Undefined_Atom_Stereo_Count	0
22099238	Hydrogen_Bond_Donor_Count	2
183811	TPSA	138
474265	TPSA	67.7
88191	Undefined_Bond_Stereo_Count	0
7811	Molecular_Weight	124.21
25133381	Hydrogen_Bond_Acceptor_Count	5
46886975	Exact_Mass	378.10718492
73902	Exact_Mass	284.1080262
82419	Rotatable_Bond_Count	1
140066	Isotope_Atom_Count	0
17907809	Undefined_Bond_Stereo_Count	0
5486194	Undefined_Atom_Stereo_Count	0
135829641	Mono_Isotopic_Weight	96.068748264
135900090	Exact_Mass	822.40512330
12277679	Rotatable_Bond_Count	2
9830667	Isotope_Atom_Count	0
9859365	Undefined_Bond_Stereo_Count	0
47289	Covalent_Unit_Count	1
44758	Defined_Atom_Stereo_Count	0
12358373	XLogP3-AA	0.9
2893	Defined_Atom_Stereo_Count	0
69089	Total_Formal_Charge	0
11954234	Undefined_Bond_Stereo_Count	0
921	Covalent_Unit_Count	1
13860601	Mono_Isotopic_Weight	114.104465066
87703	TPSA	61.8
56149	Mono_Isotopic_Weight	431.87194
74777	Isotope_Atom_Count	0
14078849	XLogP3-AA	4
59713	Exact_Mass	332.225248902
4319	Total_Formal_Charge	0
35922	Mono_Isotopic_Weight	301.14780704
123752006	Total_Formal_Charge	0
12823444	XLogP3	2.3
319701	XLogP3-AA	0.9
46570	Covalent_Unit_Count	1
39801	Undefined_Atom_Stereo_Count	0
9835852	Total_Formal_Charge	0
13874664	Structure_Complexity	93.8
13487	Structure_Complexity	474
50901	Tautomer_Count	3
21242473	Total_Formal_Charge	0
12478719	TPSA	44
66908206	Non-hydrogen_Atom_Count	8
22174896	Rotatable_Bond_Count	0
9460	Defined_Atom_Stereo_Count	0
10184774	Hydrogen_Bond_Acceptor_Count	6
16760	Mono_Isotopic_Weight	254.0126017
15853020	Undefined_Bond_Stereo_Count	0
77311	Mono_Isotopic_Weight	126.9955546
5043	Molecular_Weight	570.4
11789342	Covalent_Unit_Count	1
6433151	TPSA	90.7
19995942	Covalent_Unit_Count	1
134688691	Total_Formal_Charge	0
131954444	Defined_Bond_Stereo_Count	1
158334	Molecular_Weight	843.1
11650986	Undefined_Atom_Stereo_Count	0
6446980	XLogP3-AA	4.1
102366731	Undefined_Bond_Stereo_Count	0
11375816	Exact_Mass	518.4747169
13107533	Molecular_Weight	102.13
66071	Mono_Isotopic_Weight	88.100048391
2331	Defined_Bond_Stereo_Count	0
5317	Undefined_Atom_Stereo_Count	4
11967617	Hydrogen_Bond_Acceptor_Count	12
53563	Hydrogen_Bond_Acceptor_Count	4
98231	Non-hydrogen_Atom_Count	9
160932	Undefined_Atom_Stereo_Count	0
94180	Hydrogen_Bond_Acceptor_Count	3
25793	Covalent_Unit_Count	1
118984402	Mono_Isotopic_Weight	456.32261721
67950444	Covalent_Unit_Count	1
10678209	Molecular_Weight	114.14
439551	XLogP3	0.2
21937642	Covalent_Unit_Count	1
91608418	Non-hydrogen_Atom_Count	8
61286	Rotatable_Bond_Count	10
12351158	Non-hydrogen_Atom_Count	7
146159250	Undefined_Atom_Stereo_Count	17
82313	Covalent_Unit_Count	1
73246	Isotope_Atom_Count	0
2797676	Molecular_Weight	308.3
135854412	Undefined_Bond_Stereo_Count	0
70038	XLogP3	3.2
71773446	Rotatable_Bond_Count	6
36829	Exact_Mass	169.956028
688510	XLogP3-AA	3.1
12309518	TPSA	45.6
44119936	XLogP3-AA	4
54471	Hydrogen_Bond_Donor_Count	1
7199	Exact_Mass	140.120115130
165154846	Hydrogen_Bond_Acceptor_Count	2
122706285	Mono_Isotopic_Weight	338.01513155
71456995	Hydrogen_Bond_Acceptor_Count	16
222549	Isotope_Atom_Count	0
13889162	Molecular_Weight	354.35
6097177	Mono_Isotopic_Weight	313.8723432
12028	Defined_Bond_Stereo_Count	0
20649100	Isotope_Atom_Count	0
126514322	Non-hydrogen_Atom_Count	7
711656	Total_Formal_Charge	0
3899541	Structure_Complexity	386
132549482	XLogP3-AA	9
550922	Defined_Atom_Stereo_Count	0
129629387	Covalent_Unit_Count	1
16123056	Total_Formal_Charge	0
129694674	Hydrogen_Bond_Acceptor_Count	1
376375	Hydrogen_Bond_Donor_Count	2
75496	Undefined_Bond_Stereo_Count	0
52165	Undefined_Bond_Stereo_Count	0
13754	Tautomer_Count	3
7020094	Rotatable_Bond_Count	7
6363	Hydrogen_Bond_Donor_Count	1
135444779	Molecular_Weight	441.4
240	Defined_Bond_Stereo_Count	0
3376	Defined_Atom_Stereo_Count	0
13593931	Exact_Mass	94.078250319
67434749	Undefined_Bond_Stereo_Count	0
121296846	Hydrogen_Bond_Acceptor_Count	2
201749	Mono_Isotopic_Weight	266.16304257
510	Rotatable_Bond_Count	0
16090272	Isotope_Atom_Count	0
57397970	Defined_Atom_Stereo_Count	1
4497	Hydrogen_Bond_Acceptor_Count	8
5361202	Defined_Atom_Stereo_Count	2
135398593	Exact_Mass	252.08585488
1676	Tautomer_Count	11
11159486	Hydrogen_Bond_Acceptor_Count	3
129653419	Defined_Bond_Stereo_Count	0
78012803	Rotatable_Bond_Count	3
83191	Covalent_Unit_Count	1
71389631	Molecular_Weight	108.14
3000346	TPSA	99.1
5447130	Hydrogen_Bond_Acceptor_Count	5
5151436	Total_Formal_Charge	0
102063093	Mono_Isotopic_Weight	168.115029749
140376	Hydrogen_Bond_Acceptor_Count	2
91087911	TPSA	20.2
4317	TPSA	116
18336916	Covalent_Unit_Count	1
76500	Structure_Complexity	180
705	Undefined_Bond_Stereo_Count	0
9995236	Undefined_Bond_Stereo_Count	0
19160	Non-hydrogen_Atom_Count	7
136450	Covalent_Unit_Count	1
604519	Hydrogen_Bond_Acceptor_Count	2
5702628	Total_Formal_Charge	0
9819	Undefined_Atom_Stereo_Count	0
13590	Non-hydrogen_Atom_Count	7
8562	Isotope_Atom_Count	0
9839243	Molecular_Weight	298.4
3246323	Hydrogen_Bond_Acceptor_Count	7
5093953	Exact_Mass	228.04428736
24839622	TPSA	2440
135407187	Structure_Complexity	354
68840	Undefined_Atom_Stereo_Count	0
135398638	Defined_Bond_Stereo_Count	0
6971097	Exact_Mass	180.06338810
54594759	Defined_Atom_Stereo_Count	0
228397	Defined_Bond_Stereo_Count	0
570605	Mono_Isotopic_Weight	106.053098200
118253852	Isotope_Atom_Count	0
3090	Mono_Isotopic_Weight	141.053826475
20497487	Non-hydrogen_Atom_Count	7
58801077	Rotatable_Bond_Count	0
5365332	Exact_Mass	101.084063974
12160932	Total_Formal_Charge	0
9822866	Exact_Mass	410.1761058
26229	Mono_Isotopic_Weight	186.0083718
147556052	Undefined_Bond_Stereo_Count	0
10465	Undefined_Atom_Stereo_Count	0
11007	Structure_Complexity	123
4720	Non-hydrogen_Atom_Count	46
55288256	Rotatable_Bond_Count	0
16850	Rotatable_Bond_Count	0
642623	Undefined_Bond_Stereo_Count	0
75879	Undefined_Bond_Stereo_Count	0
24848235	Undefined_Bond_Stereo_Count	0
18382	Hydrogen_Bond_Acceptor_Count	2
1486	Exact_Mass	219.9693994
24685	Tautomer_Count	2
15951509	Total_Formal_Charge	0
6433208	Covalent_Unit_Count	3
6881	XLogP3	4
9865528	Hydrogen_Bond_Acceptor_Count	6
3343	Structure_Complexity	310
49091	Isotope_Atom_Count	0
62669683	Defined_Atom_Stereo_Count	0
12636246	Hydrogen_Bond_Acceptor_Count	2
129600762	Undefined_Atom_Stereo_Count	0
119072	Rotatable_Bond_Count	3
21439	Defined_Bond_Stereo_Count	0
57992030	Covalent_Unit_Count	1
83156	Defined_Atom_Stereo_Count	0
43905	Molecular_Weight	291.27
136437	Total_Formal_Charge	0
2482	Structure_Complexity	174
71645	TPSA	46.5
21067	Isotope_Atom_Count	0
611446	Hydrogen_Bond_Acceptor_Count	0
440966	Mono_Isotopic_Weight	136.125200510
154013151	Molecular_Weight	116.11
45267632	Structure_Complexity	743
656603	Total_Formal_Charge	1
97617	Defined_Atom_Stereo_Count	0
2781177	Defined_Atom_Stereo_Count	0
44451124	Isotope_Atom_Count	0
88210	XLogP3-AA	6.6
13930075	Exact_Mass	113.084063974
70487	Isotope_Atom_Count	0
4136	Structure_Complexity	129
86015488	Structure_Complexity	153
2797779	XLogP3-AA	0.3
20969	Hydrogen_Bond_Acceptor_Count	5
135414248	Hydrogen_Bond_Acceptor_Count	5
89613815	Undefined_Bond_Stereo_Count	1
89708952	Defined_Atom_Stereo_Count	0
2742181	Hydrogen_Bond_Acceptor_Count	3
363475	Undefined_Bond_Stereo_Count	0
14410	Covalent_Unit_Count	1
15273920	Defined_Bond_Stereo_Count	0
56680337	Hydrogen_Bond_Acceptor_Count	8
688091	XLogP3-AA	0.7
32226	Undefined_Atom_Stereo_Count	0
52988031	Rotatable_Bond_Count	0
17533	Total_Formal_Charge	0
139044268	Hydrogen_Bond_Acceptor_Count	2
135992859	XLogP3-AA	2
156616838	Mono_Isotopic_Weight	342.11621151
65940	Molecular_Weight	341.4
19111	Tautomer_Count	2
3349	Isotope_Atom_Count	0
18736933	Molecular_Weight	129.16
164886662	Rotatable_Bond_Count	4
146157736	XLogP3-AA	0.6
58654632	Defined_Bond_Stereo_Count	0
693318	Undefined_Bond_Stereo_Count	0
197855	TPSA	151
16161315	Tautomer_Count	1000
20543	Rotatable_Bond_Count	10
10582755	Hydrogen_Bond_Acceptor_Count	1
111804	Undefined_Bond_Stereo_Count	0
45878	Structure_Complexity	342
5460639	Hydrogen_Bond_Donor_Count	1
522354	Isotope_Atom_Count	0
6515	Isotope_Atom_Count	0
59059061	TPSA	38.7
10574415	Isotope_Atom_Count	0
63420	Hydrogen_Bond_Acceptor_Count	3
96396	Structure_Complexity	205
25142176	Hydrogen_Bond_Acceptor_Count	6
448545	Rotatable_Bond_Count	6
13235324	Non-hydrogen_Atom_Count	8
52	Mono_Isotopic_Weight	867.16763975
6344	Total_Formal_Charge	0
22124932	Rotatable_Bond_Count	0
24312	TPSA	12.9
447405	Defined_Bond_Stereo_Count	0
6011	Undefined_Atom_Stereo_Count	0
20531373	Structure_Complexity	72.9
6918140	TPSA	87
4736	Rotatable_Bond_Count	2
3720192	Rotatable_Bond_Count	1
2775510	Defined_Bond_Stereo_Count	0
23662354	Undefined_Atom_Stereo_Count	0
107926	Undefined_Bond_Stereo_Count	0
130394	Molecular_Weight	409.4
67089	Undefined_Bond_Stereo_Count	0
104967	Rotatable_Bond_Count	0
8022	Exact_Mass	71.037113783
9826520	Undefined_Bond_Stereo_Count	0
39266	Tautomer_Count	1
96237	XLogP3	0.2
130659	Hydrogen_Bond_Acceptor_Count	15
6437850	Covalent_Unit_Count	1
140233814	Defined_Atom_Stereo_Count	0
12406	Mono_Isotopic_Weight	352.406901659
134693234	XLogP3	3.6
82593533	Covalent_Unit_Count	1
96393	Total_Formal_Charge	0
82658	Exact_Mass	140.083729621
19080487	Defined_Atom_Stereo_Count	0
15817	Defined_Bond_Stereo_Count	0
23835544	Covalent_Unit_Count	1
135413546	Defined_Bond_Stereo_Count	1
28486	Mono_Isotopic_Weight	7.01600343
208954	Defined_Atom_Stereo_Count	0
24978601	Covalent_Unit_Count	1
148350	Undefined_Bond_Stereo_Count	0
23677960	Total_Formal_Charge	0
750284	Defined_Bond_Stereo_Count	0
447534	Defined_Bond_Stereo_Count	0
3588	Structure_Complexity	634
291703	Mono_Isotopic_Weight	256.109944368
57704514	Structure_Complexity	384
1643	Undefined_Bond_Stereo_Count	0
62066	Covalent_Unit_Count	2
70689446	XLogP3-AA	1.5
10154017	Non-hydrogen_Atom_Count	7
15920061	TPSA	38
24915	Isotope_Atom_Count	0
21864369	Exact_Mass	1483.406877
6327546	Molecular_Weight	233.18
5319879	Rotatable_Bond_Count	19
8612	Total_Formal_Charge	0
7041	Structure_Complexity	104
12278591	Defined_Atom_Stereo_Count	0
18713388	Undefined_Atom_Stereo_Count	0
70377524	Non-hydrogen_Atom_Count	18
24654	Rotatable_Bond_Count	0
9939865	Non-hydrogen_Atom_Count	34
10686	Covalent_Unit_Count	1
129514	Mono_Isotopic_Weight	431.01883720
54084075	Non-hydrogen_Atom_Count	23
11002	TPSA	25.3
5282211	Rotatable_Bond_Count	15
6918025	Defined_Atom_Stereo_Count	8
82536	Defined_Atom_Stereo_Count	0
482	Defined_Bond_Stereo_Count	0
16685	Tautomer_Count	1
3230	TPSA	74.6
23649154	Defined_Bond_Stereo_Count	0
129395999	Molecular_Weight	293.4
9918978	Defined_Atom_Stereo_Count	7
4535	Defined_Atom_Stereo_Count	0
5362391	Rotatable_Bond_Count	8
99764	Rotatable_Bond_Count	0
6451481	Mono_Isotopic_Weight	105.057849228
9804496	Total_Formal_Charge	0
67752	Undefined_Bond_Stereo_Count	0
70381	TPSA	29.1
73082918	XLogP3-AA	2.4
63989	Defined_Atom_Stereo_Count	0
22202	Non-hydrogen_Atom_Count	10
20571541	Rotatable_Bond_Count	3
21139953	XLogP3-AA	4.9
52919826	Defined_Bond_Stereo_Count	0
10096344	Covalent_Unit_Count	1
59755609	Undefined_Atom_Stereo_Count	12
101718251	Total_Formal_Charge	0
57403506	Molecular_Weight	435.4
38853	Rotatable_Bond_Count	3
9803225	Hydrogen_Bond_Donor_Count	2
4453511	Exact_Mass	301.9973455
61247	Non-hydrogen_Atom_Count	7
260859	Mono_Isotopic_Weight	342.117352223
16659836	Undefined_Bond_Stereo_Count	0
9614919	Isotope_Atom_Count	0
9886	Structure_Complexity	62.7
53981464	Undefined_Bond_Stereo_Count	0
69631	TPSA	70.1
6693	Isotope_Atom_Count	0
448285	Molecular_Weight	359.9
86856	Structure_Complexity	63.5
6604378	Hydrogen_Bond_Acceptor_Count	2
54936	Covalent_Unit_Count	1
58550597	Total_Formal_Charge	0
57406717	Hydrogen_Bond_Acceptor_Count	5
12546079	TPSA	27
94034	Hydrogen_Bond_Donor_Count	1
10885	Undefined_Atom_Stereo_Count	0
15047014	Undefined_Atom_Stereo_Count	2
20814133	Exact_Mass	85.03884512
68907	Mono_Isotopic_Weight	212.0716407
35075	Covalent_Unit_Count	1
18314506	Undefined_Bond_Stereo_Count	0
13570060	Hydrogen_Bond_Donor_Count	0
132575067	Non-hydrogen_Atom_Count	20
59434	Isotope_Atom_Count	0
20644244	Hydrogen_Bond_Acceptor_Count	2
54059092	Rotatable_Bond_Count	0
10177	Defined_Bond_Stereo_Count	0
537148	Hydrogen_Bond_Acceptor_Count	1
71651624	Covalent_Unit_Count	1
139190714	Exact_Mass	156.04225873
643606	Total_Formal_Charge	0
139593379	Non-hydrogen_Atom_Count	46
4997	Molecular_Weight	247.33
10083	Structure_Complexity	274
156591873	Exact_Mass	657.5337115
62553	Isotope_Atom_Count	0
36082	Hydrogen_Bond_Donor_Count	1
6384	Molecular_Weight	148.91
12521030	Exact_Mass	223.98509127
89159	Undefined_Bond_Stereo_Count	0
14842863	TPSA	149
3176	Isotope_Atom_Count	0
89311	Undefined_Atom_Stereo_Count	1
5894	Covalent_Unit_Count	1
65770	XLogP3	3.4
37448	Covalent_Unit_Count	5
47294	Hydrogen_Bond_Acceptor_Count	4
521381	XLogP3	1.1
69672	Defined_Bond_Stereo_Count	0
158524	Hydrogen_Bond_Donor_Count	0
91434	Isotope_Atom_Count	0
12817963	Covalent_Unit_Count	1
6700	Tautomer_Count	5
107970	Mono_Isotopic_Weight	307.251129295
23279315	Structure_Complexity	78.9
60287	Defined_Bond_Stereo_Count	0
131536	Molecular_Weight	585.6
2453	Hydrogen_Bond_Acceptor_Count	2
22649035	Isotope_Atom_Count	0
11339	Undefined_Bond_Stereo_Count	0
3001	Hydrogen_Bond_Donor_Count	0
10892	Isotope_Atom_Count	0
3055172	XLogP3	3.8
518	Non-hydrogen_Atom_Count	64
519	Molecular_Weight	258.12
15092989	Hydrogen_Bond_Donor_Count	0
638380	TPSA	23.8
81261	Hydrogen_Bond_Acceptor_Count	2
542372	Covalent_Unit_Count	1
11374	Non-hydrogen_Atom_Count	11
27991	Tautomer_Count	1001
7099	Hydrogen_Bond_Donor_Count	2
78748	Hydrogen_Bond_Acceptor_Count	2
75614	Structure_Complexity	432
15950	Undefined_Atom_Stereo_Count	0
60196291	Undefined_Atom_Stereo_Count	0
28281	Defined_Bond_Stereo_Count	0
221125	Hydrogen_Bond_Acceptor_Count	9
72302	Total_Formal_Charge	0
446067	Structure_Complexity	1580
19761154	Total_Formal_Charge	0
6421834	Isotope_Atom_Count	0
73030	Isotope_Atom_Count	0
60810	Exact_Mass	475.20936192
1317	Mono_Isotopic_Weight	172.193948774
135398733	Defined_Atom_Stereo_Count	0
24848382	Undefined_Atom_Stereo_Count	0
941385	TPSA	71.1
68081017	Total_Formal_Charge	0
54580795	Defined_Atom_Stereo_Count	0
10921	Isotope_Atom_Count	0
468	TPSA	113
57549	Defined_Bond_Stereo_Count	0
79319	Mono_Isotopic_Weight	296.891789
123146	Defined_Atom_Stereo_Count	0
11182575	Mono_Isotopic_Weight	98.073164938
40781	Hydrogen_Bond_Donor_Count	0
53606	Undefined_Atom_Stereo_Count	1
9867361	Defined_Bond_Stereo_Count	0
9571009	Isotope_Atom_Count	0
118855904	Total_Formal_Charge	0
6437379	Rotatable_Bond_Count	6
451239	TPSA	0
15024257	Isotope_Atom_Count	0
56840904	Covalent_Unit_Count	3
9101	Undefined_Bond_Stereo_Count	0
26249	XLogP3	4.6
34001	Non-hydrogen_Atom_Count	23
201	Structure_Complexity	1160
2604	Non-hydrogen_Atom_Count	20
161965	Rotatable_Bond_Count	3
4712993	Defined_Atom_Stereo_Count	0
6918076	Defined_Bond_Stereo_Count	0
118990144	XLogP3-AA	0.4
5320621	TPSA	47.6
87474167	Hydrogen_Bond_Donor_Count	1
41377	Non-hydrogen_Atom_Count	17
123178351	Mono_Isotopic_Weight	99.104799419
7827	Undefined_Atom_Stereo_Count	0
858	Hydrogen_Bond_Donor_Count	0
17795	Hydrogen_Bond_Acceptor_Count	0
88283211	Hydrogen_Bond_Donor_Count	0
89064108	Total_Formal_Charge	0
9949648	Exact_Mass	336.183778013
7747	Defined_Atom_Stereo_Count	0
5281168	Defined_Atom_Stereo_Count	0
81569	Rotatable_Bond_Count	3
6315	Hydrogen_Bond_Donor_Count	2
65557	Mono_Isotopic_Weight	419.24604391
5489029	Tautomer_Count	1
3035235	Undefined_Bond_Stereo_Count	0
148539	Rotatable_Bond_Count	0
13924394	Mono_Isotopic_Weight	112.052429494
7078557	Defined_Bond_Stereo_Count	0
23378923	XLogP3-AA	0.8
5312804	Undefined_Atom_Stereo_Count	0
7417	Structure_Complexity	133
5458165	Rotatable_Bond_Count	6
5895404	Undefined_Atom_Stereo_Count	0
54584098	Exact_Mass	334.02046
70678557	Hydrogen_Bond_Donor_Count	78
180559	Non-hydrogen_Atom_Count	19
688763	Defined_Bond_Stereo_Count	0
5311333	TPSA	241
893980	TPSA	48.2
5287779	Total_Formal_Charge	0
4487	Defined_Bond_Stereo_Count	0
12746998	Isotope_Atom_Count	0
21948654	TPSA	51.6
87355672	Structure_Complexity	93.8
59059038	Hydrogen_Bond_Acceptor_Count	3
9798222	Tautomer_Count	7
62425	Mono_Isotopic_Weight	282.0204996
118360945	Undefined_Bond_Stereo_Count	0
6477715	Hydrogen_Bond_Acceptor_Count	6
119195	Structure_Complexity	258
70691395	Rotatable_Bond_Count	4
129744665	XLogP3-AA	0.1
123591	Defined_Bond_Stereo_Count	0
4978638	Defined_Bond_Stereo_Count	0
460621	Defined_Atom_Stereo_Count	8
15938963	Covalent_Unit_Count	1
11358924	Hydrogen_Bond_Acceptor_Count	5
17778411	Undefined_Bond_Stereo_Count	0
101746	Defined_Atom_Stereo_Count	4
6419707	Non-hydrogen_Atom_Count	22
13319222	Non-hydrogen_Atom_Count	7
5284623	Defined_Atom_Stereo_Count	7
146743267	Defined_Atom_Stereo_Count	0
86112	Tautomer_Count	1
2733939	Exact_Mass	535.761912
838267	XLogP3-AA	3.3
6917656	Undefined_Bond_Stereo_Count	0
10197954	TPSA	110
22058802	Molecular_Weight	106.16
74190	Non-hydrogen_Atom_Count	7
9823781	Defined_Bond_Stereo_Count	0
136673	Tautomer_Count	1
37610	Covalent_Unit_Count	1
550942	Exact_Mass	171.149738234
45479834	Non-hydrogen_Atom_Count	17
7587	Defined_Bond_Stereo_Count	0
199543	Molecular_Weight	108.09
123917	Defined_Bond_Stereo_Count	0
472812	Defined_Atom_Stereo_Count	0
6440900	Tautomer_Count	1
65814	Covalent_Unit_Count	1
361739	Hydrogen_Bond_Donor_Count	0
20372060	Molecular_Weight	113.11
53479	Structure_Complexity	199
66704605	Exact_Mass	98.073164938
6461	TPSA	46.5
6857429	Structure_Complexity	0
46783403	Molecular_Weight	785.9
66053	Undefined_Atom_Stereo_Count	0
21339024	Isotope_Atom_Count	0
6165447	Covalent_Unit_Count	1
717663	Mono_Isotopic_Weight	281.116426730
13197720	Undefined_Bond_Stereo_Count	0
53320294	Total_Formal_Charge	0
139078440	Total_Formal_Charge	0
65452	Exact_Mass	764.50746311
54585	Molecular_Weight	357.32
2728077	Undefined_Atom_Stereo_Count	0
7210	Total_Formal_Charge	0
126011	Mono_Isotopic_Weight	390.16785316
140552347	Structure_Complexity	95.3
520711	TPSA	12
9554809	Undefined_Atom_Stereo_Count	0
13805	Hydrogen_Bond_Acceptor_Count	11
32068	XLogP3	3.3
123178351	Rotatable_Bond_Count	3
89759530	Non-hydrogen_Atom_Count	8
21617086	TPSA	50.1
359784	Undefined_Atom_Stereo_Count	0
83167	Undefined_Bond_Stereo_Count	0
11126188	Rotatable_Bond_Count	1
4142809	Hydrogen_Bond_Donor_Count	2
10788	Undefined_Atom_Stereo_Count	0
7654	Covalent_Unit_Count	1
73240	Defined_Bond_Stereo_Count	0
44144456	Isotope_Atom_Count	0
145438	TPSA	0
3613700	Exact_Mass	203.0017026
380611	Defined_Atom_Stereo_Count	0
135409350	Defined_Atom_Stereo_Count	0
2792	TPSA	77.5
8314	Defined_Atom_Stereo_Count	0
118115	Undefined_Atom_Stereo_Count	1
32359	Exact_Mass	190.110613074
13795008	Rotatable_Bond_Count	0
18410302	Hydrogen_Bond_Donor_Count	1
20769606	Mono_Isotopic_Weight	114.068079557
61539	Covalent_Unit_Count	1
71325379	Exact_Mass	108.057514874
170759	Defined_Bond_Stereo_Count	0
60196405	Total_Formal_Charge	0
129316177	Total_Formal_Charge	0
643203	Hydrogen_Bond_Donor_Count	0
130122663	Mono_Isotopic_Weight	109.052763847
4197	TPSA	65.8
535110	Mono_Isotopic_Weight	98.073164938
57938	Total_Formal_Charge	0
23675242	Covalent_Unit_Count	2
9821547	TPSA	77.4
119097373	Covalent_Unit_Count	1
18999023	Rotatable_Bond_Count	1
522769	Isotope_Atom_Count	0
8732	Rotatable_Bond_Count	4
3795601	Isotope_Atom_Count	0
101103333	TPSA	0
11292963	XLogP3-AA	5.1
74652199	Covalent_Unit_Count	1
91116427	Undefined_Atom_Stereo_Count	0
59421472	Molecular_Weight	121.10
251070	Molecular_Weight	188.22
10820489	Undefined_Bond_Stereo_Count	0
9883002	Covalent_Unit_Count	1
816864	Exact_Mass	253.09502258
12028	Undefined_Atom_Stereo_Count	0
297777	TPSA	109
66247	Exact_Mass	433.12526
76974809	Defined_Atom_Stereo_Count	0
3088997	Tautomer_Count	2
12456453	Hydrogen_Bond_Acceptor_Count	3
68030	Tautomer_Count	1
85694	Defined_Atom_Stereo_Count	0
1289	Covalent_Unit_Count	1
2762906	Covalent_Unit_Count	1
23622962	Isotope_Atom_Count	0
7784	Exact_Mass	258.18310931
5479527	Exact_Mass	455.05694025
2031	Rotatable_Bond_Count	9
2734176	Defined_Atom_Stereo_Count	0
154803918	Structure_Complexity	1220
141233	Hydrogen_Bond_Acceptor_Count	0
10134976	Undefined_Bond_Stereo_Count	0
14812	Undefined_Atom_Stereo_Count	0
61044	Structure_Complexity	150
10034577	Structure_Complexity	42.8
16473	Exact_Mass	328.0648413
73449854	Structure_Complexity	1020
58544	TPSA	33.6
6849	Rotatable_Bond_Count	0
5287991	Rotatable_Bond_Count	9
15706803	Mono_Isotopic_Weight	116.120115130
2734162	Defined_Bond_Stereo_Count	0
71160	Undefined_Bond_Stereo_Count	0
445621	Molecular_Weight	179.17
15278170	Hydrogen_Bond_Donor_Count	1
66335	Covalent_Unit_Count	1
656823	Defined_Bond_Stereo_Count	0
91281	Exact_Mass	155.094628657
22154890	Hydrogen_Bond_Acceptor_Count	0
70701092	Mono_Isotopic_Weight	199.95853
9929901	Molecular_Weight	382.6
15575619	Undefined_Bond_Stereo_Count	0
60148380	Defined_Bond_Stereo_Count	0
54675842	Defined_Atom_Stereo_Count	0
55352	Defined_Bond_Stereo_Count	0
74262	TPSA	0
11632418	Isotope_Atom_Count	0
96129	Hydrogen_Bond_Donor_Count	1
16212687	Defined_Bond_Stereo_Count	0
6999106	Defined_Atom_Stereo_Count	0
73162904	Exact_Mass	326.169686
154067559	Mono_Isotopic_Weight	84.021129366
135431272	Hydrogen_Bond_Donor_Count	2
59908032	XLogP3-AA	2.6
62651	Rotatable_Bond_Count	0
6529	Defined_Atom_Stereo_Count	0
102590130	Rotatable_Bond_Count	96
13270940	Hydrogen_Bond_Acceptor_Count	1
6602103	TPSA	127
53436345	Non-hydrogen_Atom_Count	7
30199	Rotatable_Bond_Count	0
12219138	Exact_Mass	244.06953611
429819	Non-hydrogen_Atom_Count	13
5310957	Total_Formal_Charge	0
9925	Tautomer_Count	2
70695665	Tautomer_Count	3
2465	Hydrogen_Bond_Donor_Count	2
9924495	Molecular_Weight	349.4
23555879	Defined_Atom_Stereo_Count	0
23365036	Non-hydrogen_Atom_Count	7
2641	Non-hydrogen_Atom_Count	45
688371	Mono_Isotopic_Weight	241.09502258
64510	Defined_Bond_Stereo_Count	0
5284441	TPSA	12.5
410702	Hydrogen_Bond_Acceptor_Count	2
3081905	Non-hydrogen_Atom_Count	96
88481085	Hydrogen_Bond_Donor_Count	3
12794201	Exact_Mass	97.052763847
72199624	Mono_Isotopic_Weight	488.1635470
12097423	Molecular_Weight	110.11
129675901	Total_Formal_Charge	0
10685477	Structure_Complexity	383
98943	Covalent_Unit_Count	1
25102	Molecular_Weight	370.4
17253	Undefined_Bond_Stereo_Count	0
68847	Defined_Bond_Stereo_Count	0
212229	Exact_Mass	316.0745332
6346	Undefined_Bond_Stereo_Count	0
123672484	TPSA	21.6
15709948	Undefined_Atom_Stereo_Count	0
65800	Tautomer_Count	1
4595	Defined_Atom_Stereo_Count	0
20583864	Exact_Mass	114.104465066
533933	Total_Formal_Charge	0
101289807	Defined_Bond_Stereo_Count	0
20387208	Hydrogen_Bond_Acceptor_Count	1
19031522	Defined_Atom_Stereo_Count	0
49853967	XLogP3-AA	2.9
38971	Hydrogen_Bond_Donor_Count	2
13265779	Undefined_Bond_Stereo_Count	0
33838	Hydrogen_Bond_Donor_Count	2
91849037	Covalent_Unit_Count	1
23479	Tautomer_Count	1
9960569	Hydrogen_Bond_Acceptor_Count	10
253276	Defined_Atom_Stereo_Count	0
24254	Exact_Mass	208.125200510
2735071	Rotatable_Bond_Count	12
68090055	Covalent_Unit_Count	1
22383	Rotatable_Bond_Count	6
3045414	Tautomer_Count	3
65834	Non-hydrogen_Atom_Count	22
57031137	Non-hydrogen_Atom_Count	8
910268	Non-hydrogen_Atom_Count	19
83694167	Defined_Atom_Stereo_Count	0
60060441	Defined_Bond_Stereo_Count	0
10724	Rotatable_Bond_Count	0
22833307	Undefined_Atom_Stereo_Count	0
12429703	Covalent_Unit_Count	1
7895	Undefined_Bond_Stereo_Count	0
2734996	Covalent_Unit_Count	3
2734181	Exact_Mass	251.1468424
57242	Exact_Mass	246.18444672
122706485	Undefined_Bond_Stereo_Count	0
24776154	Undefined_Atom_Stereo_Count	1
2800612	Defined_Atom_Stereo_Count	0
117853562	Total_Formal_Charge	0
53298813	Covalent_Unit_Count	1
30945	Hydrogen_Bond_Donor_Count	0
20685	Non-hydrogen_Atom_Count	24
7999	Defined_Bond_Stereo_Count	0
18622368	Total_Formal_Charge	0
133662562	Mono_Isotopic_Weight	181.06674293
70452	Total_Formal_Charge	0
10898017	Mono_Isotopic_Weight	768.19831894
6716	Structure_Complexity	362
11748	Undefined_Bond_Stereo_Count	0
93374	Structure_Complexity	65.3
16049087	Hydrogen_Bond_Acceptor_Count	7
51921893	Total_Formal_Charge	0
18208	Non-hydrogen_Atom_Count	8
85689	Total_Formal_Charge	0
129673373	Covalent_Unit_Count	1
167605	Non-hydrogen_Atom_Count	6
152780129	XLogP3-AA	1.1
3014827	Structure_Complexity	2.8
20542	Exact_Mass	332.225248902
3729	Non-hydrogen_Atom_Count	14
93052	Hydrogen_Bond_Donor_Count	0
4421864	Isotope_Atom_Count	0
50561	TPSA	99.9
5282493	Structure_Complexity	982
15942890	Undefined_Bond_Stereo_Count	0
26049	Mono_Isotopic_Weight	136.125200510
134537	Structure_Complexity	750
2082	Non-hydrogen_Atom_Count	18
15290	Total_Formal_Charge	0
21590560	Covalent_Unit_Count	1
5360515	Total_Formal_Charge	0
13612132	Non-hydrogen_Atom_Count	8
88154	Hydrogen_Bond_Donor_Count	3
27923	Structure_Complexity	90.6
22386467	Mono_Isotopic_Weight	418.051880
439846	Exact_Mass	76.052429494
6321422	Structure_Complexity	643
11505444	Mono_Isotopic_Weight	617.25595715
9855476	Structure_Complexity	154
53665	Exact_Mass	215.914777
12268623	Mono_Isotopic_Weight	106.053098200
444302	Hydrogen_Bond_Acceptor_Count	5
123195542	Structure_Complexity	74.2
314	Structure_Complexity	531
129009953	Exact_Mass	213.0750129
22010122	Defined_Bond_Stereo_Count	0
77849	Mono_Isotopic_Weight	147.079647300
11652923	Molecular_Weight	335.4
123388382	XLogP3-AA	0.5
1474141	Hydrogen_Bond_Acceptor_Count	5
12304613	Undefined_Bond_Stereo_Count	0
17954	Structure_Complexity	294
9893474	Defined_Atom_Stereo_Count	0
4569	Hydrogen_Bond_Acceptor_Count	15
23685289	Non-hydrogen_Atom_Count	9
67376285	Rotatable_Bond_Count	5
671175	Structure_Complexity	402
136649217	Undefined_Bond_Stereo_Count	0
12431566	Defined_Bond_Stereo_Count	0
86412	XLogP3-AA	2.3
4993182	Covalent_Unit_Count	1
16058	Hydrogen_Bond_Donor_Count	0
130324566	Total_Formal_Charge	0
25008941	Defined_Bond_Stereo_Count	0
163722493	Defined_Atom_Stereo_Count	0
5702160	Exact_Mass	337.04493627
16760328	Hydrogen_Bond_Donor_Count	4
54169147	Defined_Atom_Stereo_Count	0
20483595	Exact_Mass	106.053098200
5354043	Hydrogen_Bond_Acceptor_Count	1
9806190	Covalent_Unit_Count	1
78836	Defined_Atom_Stereo_Count	0
69280558	TPSA	61.4
130153178	Undefined_Bond_Stereo_Count	0
71180	TPSA	83.4
445344	Defined_Bond_Stereo_Count	0
11673148	Total_Formal_Charge	0
179334	TPSA	60.9
67899	Defined_Bond_Stereo_Count	0
59910362	Defined_Atom_Stereo_Count	0
12564	Hydrogen_Bond_Acceptor_Count	0
52940942	Exact_Mass	417.13002593
12769	Non-hydrogen_Atom_Count	10
18755011	Hydrogen_Bond_Donor_Count	1
51001299	Defined_Atom_Stereo_Count	0
6344	Hydrogen_Bond_Acceptor_Count	0
124225	Non-hydrogen_Atom_Count	24
36383	Undefined_Atom_Stereo_Count	0
75184787	Total_Formal_Charge	0
15458	Structure_Complexity	119
6922967	Isotope_Atom_Count	0
75605138	Rotatable_Bond_Count	6
74732	Hydrogen_Bond_Acceptor_Count	3
440577	Isotope_Atom_Count	0
58935140	Structure_Complexity	79.6
2530251	Defined_Atom_Stereo_Count	0
12040509	Mono_Isotopic_Weight	503.13471767
14257662	Total_Formal_Charge	0
58988613	Molecular_Weight	118.13
165542	Isotope_Atom_Count	0
23305129	Exact_Mass	904.44565070
89053261	Isotope_Atom_Count	0
41185	Isotope_Atom_Count	0
101074209	TPSA	215
4020	Rotatable_Bond_Count	1
11116293	Undefined_Bond_Stereo_Count	0
11634645	Structure_Complexity	643
36821	Rotatable_Bond_Count	2
11602	Mono_Isotopic_Weight	82.078250319
12383661	Defined_Atom_Stereo_Count	0
93480	TPSA	9.2
121098	Covalent_Unit_Count	1
23282942	Exact_Mass	98.084398327
7491	Mono_Isotopic_Weight	166.074227566
11358	Total_Formal_Charge	0
854	Exact_Mass	150.05282342
9183	Defined_Bond_Stereo_Count	0
14286	Hydrogen_Bond_Donor_Count	0
101627	TPSA	87
518818	Non-hydrogen_Atom_Count	8
62209	Structure_Complexity	152
17040	Structure_Complexity	182
94412	XLogP3-AA	5.6
11040652	Exact_Mass	111.068413911
77997	Exact_Mass	391.20082506
12040509	Undefined_Atom_Stereo_Count	0
101926676	Covalent_Unit_Count	1
11581936	Total_Formal_Charge	0
7392	TPSA	17.1
2127	Defined_Atom_Stereo_Count	0
6328200	Hydrogen_Bond_Donor_Count	0
13950369	Covalent_Unit_Count	1
11510567	Structure_Complexity	701
6918126	Undefined_Atom_Stereo_Count	0
9546757	Undefined_Bond_Stereo_Count	0
73	Non-hydrogen_Atom_Count	27
67434749	TPSA	52
6438149	Rotatable_Bond_Count	12
101584	Defined_Bond_Stereo_Count	0
371256	Rotatable_Bond_Count	3
108888	Total_Formal_Charge	0
7617	Tautomer_Count	1
60196425	Isotope_Atom_Count	0
443380	Undefined_Bond_Stereo_Count	0
5986	Undefined_Bond_Stereo_Count	0
22256270	Isotope_Atom_Count	0
138358	Defined_Bond_Stereo_Count	0
13658	Defined_Atom_Stereo_Count	0
6350580	Hydrogen_Bond_Acceptor_Count	3
11493598	Total_Formal_Charge	0
100094	Defined_Atom_Stereo_Count	2
70257	Structure_Complexity	44
57417230	Hydrogen_Bond_Donor_Count	5
6918111	Exact_Mass	328.1917559
27244	XLogP3	2.6
7943	Undefined_Bond_Stereo_Count	0
73441	Tautomer_Count	10
905275	Defined_Atom_Stereo_Count	0
53710320	XLogP3-AA	0.7
131428459	Mono_Isotopic_Weight	97.052763847
24860518	Covalent_Unit_Count	1
16219903	Non-hydrogen_Atom_Count	44
76860	Undefined_Bond_Stereo_Count	0
595875	Isotope_Atom_Count	0
88490	Defined_Bond_Stereo_Count	0
1494	Defined_Bond_Stereo_Count	0
96389	XLogP3	2.2
13693091	Structure_Complexity	107
21131860	Molecular_Weight	99.17
54582513	TPSA	23.5
140291701	Defined_Bond_Stereo_Count	0
197856	Molecular_Weight	532.5
85500	Undefined_Bond_Stereo_Count	0
60165657	Non-hydrogen_Atom_Count	25
705978	Isotope_Atom_Count	0
19986922	Hydrogen_Bond_Donor_Count	2
558102	Mono_Isotopic_Weight	181.885975
53442174	Defined_Bond_Stereo_Count	0
24860538	Hydrogen_Bond_Acceptor_Count	0
14653	Molecular_Weight	288.74
167807	Hydrogen_Bond_Acceptor_Count	4
23668193	Non-hydrogen_Atom_Count	4
31418	Defined_Atom_Stereo_Count	0
266651	Undefined_Atom_Stereo_Count	12
12260	Undefined_Atom_Stereo_Count	0
9361	TPSA	194
4158661	Hydrogen_Bond_Acceptor_Count	8
3642	Hydrogen_Bond_Acceptor_Count	6
4369414	Non-hydrogen_Atom_Count	27
44446780	XLogP3	4.5
141407440	XLogP3-AA	0.9
15558252	Defined_Bond_Stereo_Count	0
542892	Non-hydrogen_Atom_Count	8
9009	Tautomer_Count	1
53772109	Isotope_Atom_Count	0
18769554	Undefined_Bond_Stereo_Count	0
18704550	Defined_Atom_Stereo_Count	0
11332442	Undefined_Atom_Stereo_Count	0
23216963	Rotatable_Bond_Count	2
22899343	Isotope_Atom_Count	0
71727581	Molecular_Weight	440.9
10773310	Exact_Mass	163.110947427
157010058	Defined_Bond_Stereo_Count	0
23347	Non-hydrogen_Atom_Count	12
53484567	Non-hydrogen_Atom_Count	8
87280025	XLogP3-AA	0
23564147	Exact_Mass	112.088815002
5280805	Hydrogen_Bond_Donor_Count	10
9865961	Rotatable_Bond_Count	7
20561716	Rotatable_Bond_Count	0
61008	Defined_Atom_Stereo_Count	0
14970212	Rotatable_Bond_Count	0
80045	Structure_Complexity	224
136837	Tautomer_Count	2
131315862	Total_Formal_Charge	0
44373822	Rotatable_Bond_Count	28
1241420	Isotope_Atom_Count	0
4989215	Defined_Atom_Stereo_Count	0
44226825	Rotatable_Bond_Count	5
57992058	Hydrogen_Bond_Acceptor_Count	5
16211009	TPSA	86
25070195	TPSA	67.9
5413	Hydrogen_Bond_Acceptor_Count	0
233979	Defined_Bond_Stereo_Count	0
54066875	Rotatable_Bond_Count	3
6249	Rotatable_Bond_Count	4
104735	Non-hydrogen_Atom_Count	12
7026090	XLogP3-AA	0
250	Covalent_Unit_Count	1
64218	Covalent_Unit_Count	1
3758	Structure_Complexity	318
9233	Undefined_Atom_Stereo_Count	0
3041256	Hydrogen_Bond_Donor_Count	1
18861	Tautomer_Count	1
9319	XLogP3-AA	6
4814	Undefined_Bond_Stereo_Count	0
7753	Hydrogen_Bond_Acceptor_Count	1
5280980	TPSA	87.1
18377	Covalent_Unit_Count	1
5288453	Isotope_Atom_Count	0
28369	Exact_Mass	126.068079557
45375946	TPSA	123
78759348	Non-hydrogen_Atom_Count	25
107349	Undefined_Bond_Stereo_Count	0
80032	Defined_Atom_Stereo_Count	0
13699300	Hydrogen_Bond_Donor_Count	0
2741	Hydrogen_Bond_Donor_Count	1
19860177	Total_Formal_Charge	0
12505483	Undefined_Bond_Stereo_Count	0
121630	Non-hydrogen_Atom_Count	7
71512	TPSA	26.3
207	Undefined_Bond_Stereo_Count	0
2858	Non-hydrogen_Atom_Count	61
2762887	Defined_Bond_Stereo_Count	0
100165	Non-hydrogen_Atom_Count	7
143847825	Isotope_Atom_Count	0
106358	Undefined_Atom_Stereo_Count	0
6426740	Covalent_Unit_Count	1
691409	Molecular_Weight	319.34
18506440	Rotatable_Bond_Count	3
12251749	Defined_Atom_Stereo_Count	0
46738768	TPSA	35.5
14078850	XLogP3-AA	4
10427712	Hydrogen_Bond_Acceptor_Count	8
80308	Hydrogen_Bond_Acceptor_Count	2
11916	Rotatable_Bond_Count	1
62277	Hydrogen_Bond_Acceptor_Count	7
44462786	Undefined_Atom_Stereo_Count	0
16052039	Isotope_Atom_Count	0
5371102	Undefined_Bond_Stereo_Count	0
288	TPSA	60.4
19065046	Defined_Bond_Stereo_Count	0
104977	Total_Formal_Charge	0
637563	TPSA	9.2
9568637	Rotatable_Bond_Count	6
57392871	Rotatable_Bond_Count	6
53321035	Undefined_Bond_Stereo_Count	0
11289	Rotatable_Bond_Count	6
99338	XLogP3-AA	1.6
21023678	Rotatable_Bond_Count	0
70425	Exact_Mass	382.13339621
137705114	Hydrogen_Bond_Acceptor_Count	5
7656	Isotope_Atom_Count	0
34313	Structure_Complexity	273
27347	Non-hydrogen_Atom_Count	17
60165516	Non-hydrogen_Atom_Count	20
134129703	Undefined_Atom_Stereo_Count	1
969472	Mono_Isotopic_Weight	388.1050661
11161534	Covalent_Unit_Count	1
122522140	Defined_Atom_Stereo_Count	2
137203329	Structure_Complexity	205
66545	TPSA	115
9	Hydrogen_Bond_Acceptor_Count	9
92333	TPSA	99.4
107670	Undefined_Atom_Stereo_Count	0
22641151	Covalent_Unit_Count	1
129606990	Exact_Mass	915.51914999
10987215	Molecular_Weight	198.05
163418146	Undefined_Bond_Stereo_Count	0
77262	Defined_Bond_Stereo_Count	0
49289	Non-hydrogen_Atom_Count	13
847429	Molecular_Weight	338.8
6432418	Defined_Bond_Stereo_Count	0
12601908	Non-hydrogen_Atom_Count	7
4284331	Rotatable_Bond_Count	3
9863672	Total_Formal_Charge	0
20708	TPSA	0
10044423	Mono_Isotopic_Weight	366.05554326
95270	Total_Formal_Charge	0
11993	Rotatable_Bond_Count	0
6252910	TPSA	195
9961878	Molecular_Weight	719.6
1548886	Undefined_Bond_Stereo_Count	0
81531	Exact_Mass	129.151749610
91532137	Defined_Bond_Stereo_Count	0
57448808	Structure_Complexity	139
53249048	Undefined_Bond_Stereo_Count	0
963	Isotope_Atom_Count	0
43704	TPSA	98.4
54169757	Mono_Isotopic_Weight	120.04225873
21460	Structure_Complexity	59.6
135876149	Defined_Atom_Stereo_Count	9
15809	Isotope_Atom_Count	0
4168142	Defined_Bond_Stereo_Count	0
13625887	Hydrogen_Bond_Donor_Count	0
508194	Mono_Isotopic_Weight	667.40975519
5488638	Structure_Complexity	1790
673	Tautomer_Count	1
16732168	Total_Formal_Charge	0
688451	Non-hydrogen_Atom_Count	17
130142668	Structure_Complexity	81
14870212	Defined_Bond_Stereo_Count	0
53846432	Total_Formal_Charge	0
94508	Defined_Atom_Stereo_Count	0
119259	Undefined_Bond_Stereo_Count	0
7530950	Isotope_Atom_Count	0
91495606	Non-hydrogen_Atom_Count	8
382	Isotope_Atom_Count	0
102738	Hydrogen_Bond_Acceptor_Count	2
91358778	Hydrogen_Bond_Acceptor_Count	0
169110	Undefined_Bond_Stereo_Count	0
145627882	Non-hydrogen_Atom_Count	8
24917008	Defined_Atom_Stereo_Count	4
4570	Structure_Complexity	555
21414	Non-hydrogen_Atom_Count	21
198212	Non-hydrogen_Atom_Count	13
9844747	Molecular_Weight	415.5
42884	Exact_Mass	370.1811912
242973	TPSA	57.4
229075	Molecular_Weight	110.12
3146673	Exact_Mass	249.126597491
3241	Molecular_Weight	249.31
11048104	Defined_Atom_Stereo_Count	0
123481111	Covalent_Unit_Count	1
2199	XLogP3-AA	0.9
57734486	Hydrogen_Bond_Donor_Count	3
3033637	Non-hydrogen_Atom_Count	21
19540	TPSA	0
6787	Undefined_Bond_Stereo_Count	0
90987052	XLogP3-AA	3.1
12927947	Covalent_Unit_Count	1
25323	Non-hydrogen_Atom_Count	11
70807	Covalent_Unit_Count	1
231934	Total_Formal_Charge	0
5351548	TPSA	215
6237	Molecular_Weight	518.08
5514	Total_Formal_Charge	0
14976739	Mono_Isotopic_Weight	208.0767261
77544	Rotatable_Bond_Count	4
4054	Total_Formal_Charge	0
669	Covalent_Unit_Count	1
11717001	Hydrogen_Bond_Acceptor_Count	5
9875384	Covalent_Unit_Count	1
5364420	XLogP3-AA	6.9
44577705	Total_Formal_Charge	0
11569967	Rotatable_Bond_Count	6
75057	Exact_Mass	354.409975663
14107712	Undefined_Bond_Stereo_Count	0
51576	Structure_Complexity	352
4614	Covalent_Unit_Count	1
826477	Isotope_Atom_Count	0
79798	Non-hydrogen_Atom_Count	16
57394711	Defined_Bond_Stereo_Count	0
71007	Tautomer_Count	1
54496696	Defined_Atom_Stereo_Count	0
71460924	Total_Formal_Charge	0
5496540	Hydrogen_Bond_Donor_Count	22
20514195	Non-hydrogen_Atom_Count	7
3672	Isotope_Atom_Count	0
9961	Molecular_Weight	124.09
429095	Rotatable_Bond_Count	5
17764882	Exact_Mass	116.058577502
66379	Isotope_Atom_Count	0
26533	Mono_Isotopic_Weight	223.10308534
71485	Structure_Complexity	405
120070	Undefined_Atom_Stereo_Count	0
17676	Hydrogen_Bond_Donor_Count	1
151896	Rotatable_Bond_Count	6
62669683	Undefined_Atom_Stereo_Count	0
49993	XLogP3-AA	3.1
94684	TPSA	12.5
71512	Molecular_Weight	484.16
140083	Hydrogen_Bond_Acceptor_Count	1
15192	Undefined_Bond_Stereo_Count	0
22138130	Total_Formal_Charge	0
9802865	Hydrogen_Bond_Acceptor_Count	6
4055	Undefined_Bond_Stereo_Count	0
30856	Undefined_Atom_Stereo_Count	0
16052011	Hydrogen_Bond_Acceptor_Count	18
380	Covalent_Unit_Count	1
57202251	Covalent_Unit_Count	1
104285	Mono_Isotopic_Weight	213.99783514
71916	Hydrogen_Bond_Acceptor_Count	4
16659841	Hydrogen_Bond_Acceptor_Count	8
24207	Isotope_Atom_Count	0
12201383	Exact_Mass	107.048347172
101554	Tautomer_Count	1
56672297	Defined_Atom_Stereo_Count	0
145705935	Defined_Atom_Stereo_Count	4
30196	TPSA	57.5
21989049	Isotope_Atom_Count	0
62510	Non-hydrogen_Atom_Count	7
57692074	Isotope_Atom_Count	0
45270539	Undefined_Bond_Stereo_Count	0
7413	XLogP3-AA	1.9
90829381	Mono_Isotopic_Weight	665.30474055
5284610	Mono_Isotopic_Weight	1084.47265329
20072023	Exact_Mass	116.047344113
85117	Isotope_Atom_Count	0
87962	Isotope_Atom_Count	0
129691409	Undefined_Atom_Stereo_Count	0
35378	Exact_Mass	347.0924357
86656004	Rotatable_Bond_Count	2
179512	Hydrogen_Bond_Acceptor_Count	2
75443	Undefined_Bond_Stereo_Count	0
71764	Molecular_Weight	425.9
6539039	Undefined_Bond_Stereo_Count	0
90658124	Mono_Isotopic_Weight	1297.75736887
90993	Undefined_Bond_Stereo_Count	0
28993	Isotope_Atom_Count	0
97443	Undefined_Atom_Stereo_Count	0
3687	Hydrogen_Bond_Donor_Count	3
292925	Exact_Mass	164.131348519
5280435	Isotope_Atom_Count	0
102491	Rotatable_Bond_Count	6
77013	Undefined_Atom_Stereo_Count	0
10329304	Exact_Mass	125.872641
23642	Exact_Mass	140.02958605
25608	Non-hydrogen_Atom_Count	12
56834578	Hydrogen_Bond_Acceptor_Count	8
57335384	Non-hydrogen_Atom_Count	40
37873	Hydrogen_Bond_Acceptor_Count	3
10187	Mono_Isotopic_Weight	226.062994177
1235	Mono_Isotopic_Weight	257.177964357
4594	Molecular_Weight	345.4
1342	Structure_Complexity	223
5353959	Hydrogen_Bond_Donor_Count	4
57174138	XLogP3-AA	0.2
68700720	Hydrogen_Bond_Acceptor_Count	3
43833377	Rotatable_Bond_Count	0
22002688	Isotope_Atom_Count	0
11890	XLogP3	1.6
83694167	TPSA	12
12936897	Covalent_Unit_Count	1
8246	Mono_Isotopic_Weight	302.06299
790	Covalent_Unit_Count	1
2775941	Mono_Isotopic_Weight	363.373924508
12004418	Hydrogen_Bond_Acceptor_Count	2
25154714	Defined_Atom_Stereo_Count	4
20072996	Hydrogen_Bond_Acceptor_Count	2
714	Undefined_Atom_Stereo_Count	5
5284632	XLogP3-AA	4.4
519103	Defined_Atom_Stereo_Count	0
19347790	Molecular_Weight	116.08
5451	TPSA	327
362828	Exact_Mass	297.11134135
10725321	Rotatable_Bond_Count	2
4116	Undefined_Atom_Stereo_Count	0
71115	TPSA	28.5
94973	Total_Formal_Charge	0
38141	Molecular_Weight	371.9
69873	Covalent_Unit_Count	1
36980	Molecular_Weight	223.09
71484	Molecular_Weight	606.6
8775	Molecular_Weight	366.08
11194160	Covalent_Unit_Count	1
930	Exact_Mass	745.09110351
18442682	Mono_Isotopic_Weight	113.084063974
169682	TPSA	94.6
820	Hydrogen_Bond_Donor_Count	19
5288991	Defined_Atom_Stereo_Count	4
5282340	Defined_Bond_Stereo_Count	0
68363	Defined_Atom_Stereo_Count	0
72165	Defined_Atom_Stereo_Count	2
21131860	Defined_Bond_Stereo_Count	0
7375	Isotope_Atom_Count	0
131704172	Defined_Bond_Stereo_Count	0
21579142	Covalent_Unit_Count	1
10021362	Defined_Atom_Stereo_Count	2
18475804	Hydrogen_Bond_Donor_Count	0
444302	Molecular_Weight	299.43
21030991	Molecular_Weight	112.09
7527	Isotope_Atom_Count	0
7232	Covalent_Unit_Count	1
4068533	Defined_Atom_Stereo_Count	0
22419	Defined_Atom_Stereo_Count	0
61583	XLogP3-AA	2.5
67030919	Isotope_Atom_Count	0
44318277	Rotatable_Bond_Count	4
10355488	Structure_Complexity	500
75412604	Hydrogen_Bond_Acceptor_Count	13
675533	Defined_Bond_Stereo_Count	0
702695	Defined_Bond_Stereo_Count	1
557356	TPSA	83.9
295261	Undefined_Atom_Stereo_Count	0
445302	Non-hydrogen_Atom_Count	14
633091	Total_Formal_Charge	0
140814	Undefined_Bond_Stereo_Count	0
142186967	Mono_Isotopic_Weight	416.32904526
6473878	Tautomer_Count	3
53584	Hydrogen_Bond_Donor_Count	1
10909515	Rotatable_Bond_Count	1
126686768	Covalent_Unit_Count	1
30981	TPSA	54
6914285	Hydrogen_Bond_Donor_Count	3
6604472	Structure_Complexity	375
10221	Hydrogen_Bond_Donor_Count	1
16755636	Exact_Mass	63.998055901
24840945	Non-hydrogen_Atom_Count	9
51397515	Hydrogen_Bond_Acceptor_Count	12
118052411	Hydrogen_Bond_Donor_Count	8
162501	Rotatable_Bond_Count	4
85538176	Undefined_Atom_Stereo_Count	0
447405	TPSA	125
87870867	Mono_Isotopic_Weight	113.047678466
6431	Defined_Atom_Stereo_Count	0
21184953	Molecular_Weight	97.12
78015	Structure_Complexity	95
12303	Molecular_Weight	102.14
87661	Mono_Isotopic_Weight	349.22867977
19859	Isotope_Atom_Count	0
17748670	Hydrogen_Bond_Donor_Count	24
564654	Hydrogen_Bond_Donor_Count	0
20980871	Exact_Mass	331.1161486
101587427	Hydrogen_Bond_Acceptor_Count	3
102692	Structure_Complexity	43.7
3086637	Exact_Mass	482.12129689
1905	Defined_Atom_Stereo_Count	0
97758	Hydrogen_Bond_Acceptor_Count	1
21519587	Undefined_Bond_Stereo_Count	0
606	Exact_Mass	238.03547307
15189029	Covalent_Unit_Count	1
55291579	Exact_Mass	113.058911855
46201499	Tautomer_Count	1
11115032	Hydrogen_Bond_Donor_Count	14
44310946	Hydrogen_Bond_Donor_Count	1
56842239	Rotatable_Bond_Count	40
98626	Non-hydrogen_Atom_Count	13
66572376	Exact_Mass	122.00376522
11019447	Undefined_Bond_Stereo_Count	0
79484	Structure_Complexity	171
71337442	Undefined_Bond_Stereo_Count	0
2853458	Molecular_Weight	229.28
45780	Rotatable_Bond_Count	1
12415	Hydrogen_Bond_Donor_Count	0
57013000	XLogP3-AA	0.6
12358742	Undefined_Atom_Stereo_Count	1
3017597	Tautomer_Count	2
6196	Exact_Mass	401.10454189
6327428	Undefined_Bond_Stereo_Count	0
57054	Defined_Atom_Stereo_Count	0
10329273	Rotatable_Bond_Count	0
3219590	XLogP3-AA	2.9
7951	Structure_Complexity	82.9
90956916	Hydrogen_Bond_Donor_Count	0
6054	Rotatable_Bond_Count	2
136892	Defined_Atom_Stereo_Count	0
439693	Defined_Atom_Stereo_Count	4
53846425	Hydrogen_Bond_Donor_Count	3
161930	Molecular_Weight	311.29
4243	Undefined_Atom_Stereo_Count	17
9571037	Defined_Atom_Stereo_Count	0
40466884	Total_Formal_Charge	1
87689	XLogP3-AA	6.3
5364714	Hydrogen_Bond_Acceptor_Count	2
71963842	Rotatable_Bond_Count	15
2733928	Exact_Mass	239.0924357
43260	Rotatable_Bond_Count	4
14173662	Mono_Isotopic_Weight	111.032028402
63610	Defined_Atom_Stereo_Count	0
6004	Total_Formal_Charge	0
543880	Molecular_Weight	100.16
20680013	Non-hydrogen_Atom_Count	8
44152553	Hydrogen_Bond_Acceptor_Count	5
54309225	Covalent_Unit_Count	1
572065	TPSA	20.2
50312	Exact_Mass	370.97783
146158568	Molecular_Weight	527.5
2574	TPSA	83.8
656580	Molecular_Weight	423.2
54283855	Hydrogen_Bond_Donor_Count	2
491122	Defined_Bond_Stereo_Count	0
17904650	Isotope_Atom_Count	0
10649	Undefined_Bond_Stereo_Count	0
101444	Defined_Bond_Stereo_Count	0
159470	Molecular_Weight	221.30
9844	Defined_Atom_Stereo_Count	0
62783	Undefined_Bond_Stereo_Count	0
84878	Defined_Bond_Stereo_Count	0
11908450	Total_Formal_Charge	0
94865124	Structure_Complexity	756
14552708	Non-hydrogen_Atom_Count	17
49866505	Total_Formal_Charge	0
18330928	Hydrogen_Bond_Acceptor_Count	1
123938	Undefined_Atom_Stereo_Count	0
22016536	Mono_Isotopic_Weight	424.25733687
439368	TPSA	46.5
53407792	Rotatable_Bond_Count	0
57197748	Mono_Isotopic_Weight	180.06338810
31193	Molecular_Weight	112.41
61719	Rotatable_Bond_Count	4
76619	Defined_Bond_Stereo_Count	0
36816	Structure_Complexity	401
16760	Structure_Complexity	219
54675842	Defined_Bond_Stereo_Count	0
548353	Covalent_Unit_Count	1
644235	Tautomer_Count	1
44144456	Molecular_Weight	56.35
5284382	Undefined_Atom_Stereo_Count	0
136499	Tautomer_Count	1
10240772	Non-hydrogen_Atom_Count	7
53856389	XLogP3-AA	1.1
439568	Covalent_Unit_Count	1
10126019	XLogP3-AA	2.4
6451151	Non-hydrogen_Atom_Count	20
97255	Hydrogen_Bond_Acceptor_Count	3
225710	Structure_Complexity	86.1
67495	Total_Formal_Charge	0
9954944	Tautomer_Count	16
439498	Isotope_Atom_Count	0
17904805	TPSA	40.5
12891182	Rotatable_Bond_Count	0
2490	Rotatable_Bond_Count	7
14145	Total_Formal_Charge	0
70684313	Exact_Mass	411.15560620
70333	Undefined_Atom_Stereo_Count	0
88336	Hydrogen_Bond_Donor_Count	1
82261	Molecular_Weight	212.74
3060	Defined_Atom_Stereo_Count	0
12560918	Rotatable_Bond_Count	0
6245	Hydrogen_Bond_Donor_Count	4
444104	Total_Formal_Charge	0
273577	Defined_Bond_Stereo_Count	0
23629997	Exact_Mass	390.18042397
58143010	Undefined_Atom_Stereo_Count	0
71237	Undefined_Atom_Stereo_Count	0
11194304	TPSA	28.7
137572	Defined_Atom_Stereo_Count	0
370	Exact_Mass	170.02152329
7416	XLogP3	1.9
147089	Non-hydrogen_Atom_Count	17
30824	Defined_Bond_Stereo_Count	0
4122	Defined_Bond_Stereo_Count	0
250079	Undefined_Atom_Stereo_Count	2
154911	Mono_Isotopic_Weight	247.9845081
53320114	TPSA	25.4
23677323	Defined_Atom_Stereo_Count	0
147059143	Non-hydrogen_Atom_Count	7
10131842	Rotatable_Bond_Count	8
121891	Hydrogen_Bond_Acceptor_Count	3
53907192	Hydrogen_Bond_Acceptor_Count	3
57656232	Rotatable_Bond_Count	1
70240	Hydrogen_Bond_Acceptor_Count	5
1804	Hydrogen_Bond_Donor_Count	1
7067772	TPSA	152
13597077	Non-hydrogen_Atom_Count	8
27713	Exact_Mass	271.0975211
446157	Molecular_Weight	481.5
68216	Undefined_Bond_Stereo_Count	0
21749233	Non-hydrogen_Atom_Count	8
53174	Hydrogen_Bond_Donor_Count	2
10895019	Covalent_Unit_Count	1
124069	Total_Formal_Charge	0
102138	Structure_Complexity	2.8
99049	Total_Formal_Charge	0
101033892	Undefined_Atom_Stereo_Count	0
33473	Undefined_Atom_Stereo_Count	0
637090	Hydrogen_Bond_Donor_Count	1
825	Rotatable_Bond_Count	1
6204	Covalent_Unit_Count	1
227260	XLogP3-AA	2.2
53932862	TPSA	17.1
11029806	TPSA	43.4
60196360	Undefined_Atom_Stereo_Count	1
139211202	Mono_Isotopic_Weight	679.44075943
80566	Exact_Mass	184.9799046
65359	Covalent_Unit_Count	1
15222234	Isotope_Atom_Count	0
154824089	Molecular_Weight	397.5
6850813	Total_Formal_Charge	0
46900403	Molecular_Weight	351.4
10930	Hydrogen_Bond_Donor_Count	1
11582982	Non-hydrogen_Atom_Count	30
8501	Undefined_Atom_Stereo_Count	0
49853406	XLogP3-AA	1.7
9960	Total_Formal_Charge	0
21202	XLogP3-AA	5.3
62656	Defined_Atom_Stereo_Count	0
12681	Mono_Isotopic_Weight	160.07355886
338812	Exact_Mass	112.052429494
6030	Molecular_Weight	324.18
46078	Hydrogen_Bond_Donor_Count	1
5361871	Defined_Atom_Stereo_Count	2
639662	Molecular_Weight	98.19
216287	Total_Formal_Charge	0
52945780	Structure_Complexity	671
5160	Isotope_Atom_Count	0
179338	Mono_Isotopic_Weight	511.1584073
87370	Hydrogen_Bond_Donor_Count	0
18364059	Hydrogen_Bond_Acceptor_Count	2
9600409	Defined_Bond_Stereo_Count	1
101940	Defined_Bond_Stereo_Count	0
41308	Defined_Bond_Stereo_Count	0
83971	Mono_Isotopic_Weight	892.47801345
7628	Exact_Mass	62.0175241
517165	Defined_Atom_Stereo_Count	0
5356	TPSA	114
16667736	Defined_Bond_Stereo_Count	2
12247338	Isotope_Atom_Count	0
21998683	XLogP3-AA	0.7
71359012	Total_Formal_Charge	0
70309	Covalent_Unit_Count	1
1041	Undefined_Atom_Stereo_Count	4
5920	Undefined_Bond_Stereo_Count	0
12487265	Isotope_Atom_Count	0
146396	Hydrogen_Bond_Acceptor_Count	5
24502	Tautomer_Count	1
25102937	TPSA	153
88867195	Exact_Mass	113.120449483
5953	Hydrogen_Bond_Acceptor_Count	4
2795425	Rotatable_Bond_Count	0
45116687	Hydrogen_Bond_Donor_Count	1
193504	Rotatable_Bond_Count	3
73949	Rotatable_Bond_Count	0
11194317	Rotatable_Bond_Count	3
5319754	Rotatable_Bond_Count	2
129847163	Defined_Atom_Stereo_Count	8
935	Molecular_Weight	58.693
54675757	Hydrogen_Bond_Acceptor_Count	3
35367	Exact_Mass	112.125200510
6438151	Undefined_Atom_Stereo_Count	0
7668	Total_Formal_Charge	0
11315	Undefined_Atom_Stereo_Count	0
13244490	Isotope_Atom_Count	0
92839	Total_Formal_Charge	0
6458	Mono_Isotopic_Weight	294.0631547
73101855	Rotatable_Bond_Count	11
7840	Rotatable_Bond_Count	1
76960246	Molecular_Weight	449.16
158793	Hydrogen_Bond_Acceptor_Count	5
6917959	Defined_Bond_Stereo_Count	0
10284	Exact_Mass	145.052763847
1252264	Defined_Atom_Stereo_Count	0
40463608	Defined_Atom_Stereo_Count	0
58890	Molecular_Weight	321.8
43853	Isotope_Atom_Count	0
105084	Rotatable_Bond_Count	1
869	Non-hydrogen_Atom_Count	54
91902981	Mono_Isotopic_Weight	665.30474055
4279	Undefined_Bond_Stereo_Count	0
5283349	Undefined_Atom_Stereo_Count	0
89310012	Undefined_Bond_Stereo_Count	0
71171	Non-hydrogen_Atom_Count	48
12644714	Non-hydrogen_Atom_Count	8
118856278	Undefined_Bond_Stereo_Count	0
5795	Hydrogen_Bond_Donor_Count	2
91723653	Covalent_Unit_Count	1
10324367	XLogP3-AA	3.1
53470	Mono_Isotopic_Weight	245.08520679
14120372	Molecular_Weight	120.15
23003869	Mono_Isotopic_Weight	112.088815002
24825253	Total_Formal_Charge	0
20517187	Defined_Bond_Stereo_Count	0
87019	Molecular_Weight	198.26
6857474	Undefined_Bond_Stereo_Count	0
10898	Covalent_Unit_Count	1
4597	Isotope_Atom_Count	0
762556	Defined_Bond_Stereo_Count	0
446873	Exact_Mass	169.01400935
627774	Hydrogen_Bond_Acceptor_Count	1
3862645	Molecular_Weight	271.38
57349445	Isotope_Atom_Count	0
65573725	Exact_Mass	98.036779430
5464924	Defined_Bond_Stereo_Count	0
2570	Undefined_Bond_Stereo_Count	0
91980486	Defined_Bond_Stereo_Count	0
7491	Structure_Complexity	157
2383	Undefined_Bond_Stereo_Count	0
5282184	Hydrogen_Bond_Donor_Count	0
71414	Total_Formal_Charge	0
49426	Covalent_Unit_Count	2
197856	Defined_Bond_Stereo_Count	0
10079	Molecular_Weight	467.0
24892842	TPSA	49.8
67215	Hydrogen_Bond_Donor_Count	0
54736666	Hydrogen_Bond_Acceptor_Count	18
6539985	Covalent_Unit_Count	1
210410	Mono_Isotopic_Weight	116.094963011
118161592	Molecular_Weight	110.15
21470	Structure_Complexity	1120
34230	Structure_Complexity	1230
154518019	Hydrogen_Bond_Donor_Count	1
703128	Defined_Bond_Stereo_Count	0
71460947	Undefined_Atom_Stereo_Count	0
6278	Hydrogen_Bond_Donor_Count	0
61199	Defined_Bond_Stereo_Count	0
53801928	Total_Formal_Charge	0
12682028	Hydrogen_Bond_Donor_Count	2
45479278	Rotatable_Bond_Count	33
3526	Rotatable_Bond_Count	18
54265485	Hydrogen_Bond_Donor_Count	2
76049	Undefined_Bond_Stereo_Count	1
135398687	Covalent_Unit_Count	1
12224256	Undefined_Atom_Stereo_Count	0
3638	Hydrogen_Bond_Acceptor_Count	4
6059187	Isotope_Atom_Count	0
208898	XLogP3-AA	7.2
13332726	Structure_Complexity	123
10197665	Rotatable_Bond_Count	0
160817	Defined_Atom_Stereo_Count	0
140047825	Exact_Mass	575.09703019
821629	Hydrogen_Bond_Acceptor_Count	5
10117987	Mono_Isotopic_Weight	503.23933582
5719	Isotope_Atom_Count	0
163460608	Structure_Complexity	72.9
5206	Total_Formal_Charge	0
73167270	Hydrogen_Bond_Acceptor_Count	2
16063805	Rotatable_Bond_Count	7
102069	Defined_Bond_Stereo_Count	0
518469	Defined_Bond_Stereo_Count	0
66704605	Defined_Bond_Stereo_Count	0
135410344	Hydrogen_Bond_Acceptor_Count	6
84552	XLogP3-AA	0.8
12017	Undefined_Bond_Stereo_Count	0
7225	Molecular_Weight	133.15
27430	XLogP3-AA	5
16760285	Non-hydrogen_Atom_Count	15
643981	Isotope_Atom_Count	0
96350	Tautomer_Count	1
9794126	Defined_Bond_Stereo_Count	0
90066559	Undefined_Atom_Stereo_Count	2
316249	Molecular_Weight	194.19
92588	Isotope_Atom_Count	0
23663407	Rotatable_Bond_Count	4
10548	Defined_Bond_Stereo_Count	0
14712340	Undefined_Bond_Stereo_Count	0
5248373	Mono_Isotopic_Weight	114.115698455
226764	Hydrogen_Bond_Donor_Count	0
902	Defined_Bond_Stereo_Count	0
8151	Exact_Mass	140.04081944
4409	Undefined_Bond_Stereo_Count	0
23662403	Exact_Mass	348.17351024
34377	Tautomer_Count	2
34296	Hydrogen_Bond_Acceptor_Count	1
1730	Covalent_Unit_Count	1
6433547	Defined_Atom_Stereo_Count	0
4443516	Undefined_Atom_Stereo_Count	1
117488	Exact_Mass	502.45148287
26880	Covalent_Unit_Count	1
9823454	Defined_Atom_Stereo_Count	1
8733	Defined_Atom_Stereo_Count	0
92874	Undefined_Bond_Stereo_Count	0
44310710	Covalent_Unit_Count	1
519946	Mono_Isotopic_Weight	86.073164938
91820403	Isotope_Atom_Count	0
5284439	Defined_Atom_Stereo_Count	0
19859	Non-hydrogen_Atom_Count	9
12905357	Undefined_Bond_Stereo_Count	0
20623561	Covalent_Unit_Count	1
22476544	Mono_Isotopic_Weight	101.047678466
13003	Isotope_Atom_Count	0
91259187	Total_Formal_Charge	0
566597	Defined_Bond_Stereo_Count	0
29801	Hydrogen_Bond_Acceptor_Count	3
6713	Tautomer_Count	1
36690486	Structure_Complexity	319
6971017	Structure_Complexity	89.6
558889	Defined_Atom_Stereo_Count	0
5745	Molecular_Weight	402.5
68891	Undefined_Atom_Stereo_Count	0
453214	Isotope_Atom_Count	0
35763	Non-hydrogen_Atom_Count	11
140334	Total_Formal_Charge	0
6992032	Non-hydrogen_Atom_Count	21
11521070	Mono_Isotopic_Weight	99.068413911
24867561	Defined_Atom_Stereo_Count	3
5829	Covalent_Unit_Count	1
45972	Hydrogen_Bond_Acceptor_Count	2
3522273	Molecular_Weight	449.6
10307853	Covalent_Unit_Count	1
8258	Tautomer_Count	1
54695720	Defined_Atom_Stereo_Count	4
16218600	Hydrogen_Bond_Acceptor_Count	6
21430458	Exact_Mass	117.078978594
91463	TPSA	40.5
3631	Non-hydrogen_Atom_Count	19
14920523	Hydrogen_Bond_Donor_Count	0
70681	Tautomer_Count	1
20653	Rotatable_Bond_Count	4
46968	Undefined_Atom_Stereo_Count	0
15538	Total_Formal_Charge	0
164667083	Undefined_Bond_Stereo_Count	0
10048011	Structure_Complexity	552
18999713	Mono_Isotopic_Weight	114.104465066
12901	Defined_Atom_Stereo_Count	0
10498042	XLogP3-AA	6.2
16599	Molecular_Weight	458.0
50993726	Rotatable_Bond_Count	6
7108	Non-hydrogen_Atom_Count	14
27491	Total_Formal_Charge	0
22559336	TPSA	9.2
5394	Tautomer_Count	2
8730	Tautomer_Count	2
60196397	Mono_Isotopic_Weight	724.59570474
93131	Undefined_Atom_Stereo_Count	0
3466040	Exact_Mass	268.1798590
22754629	XLogP3-AA	0.5
16129690	Defined_Bond_Stereo_Count	0
5462355	Total_Formal_Charge	0
556998	Defined_Atom_Stereo_Count	0
667490	Undefined_Bond_Stereo_Count	0
5497105	Mono_Isotopic_Weight	447.17015238
10975431	TPSA	20.2
6693	Defined_Atom_Stereo_Count	0
5159	Defined_Atom_Stereo_Count	0
65263	Mono_Isotopic_Weight	622.44478003
2816	Hydrogen_Bond_Donor_Count	1
12343	Undefined_Bond_Stereo_Count	0
11263492	Defined_Bond_Stereo_Count	0
20233665	Covalent_Unit_Count	1
6917974	Undefined_Bond_Stereo_Count	0
219145	Defined_Atom_Stereo_Count	0
3964633	Undefined_Bond_Stereo_Count	0
56665391	Structure_Complexity	617
62932	Defined_Bond_Stereo_Count	0
91861230	Molecular_Weight	342.30
156816292	Non-hydrogen_Atom_Count	8
136649217	Exact_Mass	690.11624602
36382	Hydrogen_Bond_Acceptor_Count	1
10130270	Defined_Bond_Stereo_Count	0
141082	Rotatable_Bond_Count	3
21419483	Hydrogen_Bond_Acceptor_Count	3
85728	Hydrogen_Bond_Donor_Count	1
24288	TPSA	0
693050	Undefined_Bond_Stereo_Count	0
35729	Mono_Isotopic_Weight	183.0087061
118210808	Undefined_Bond_Stereo_Count	0
5282138	Structure_Complexity	896
65820	Exact_Mass	499.27225866
5284361	XLogP3-AA	6.7
5200289	Non-hydrogen_Atom_Count	7
7987	Undefined_Bond_Stereo_Count	0
8453	Structure_Complexity	63.2
96339	Tautomer_Count	2
39911	Mono_Isotopic_Weight	337.18892296
34756	Defined_Bond_Stereo_Count	0
143565	Total_Formal_Charge	0
18503	Exact_Mass	210.042927438
45238	TPSA	29.5
8140	XLogP3	4.9
85760873	TPSA	0
5425	Undefined_Bond_Stereo_Count	0
69109362	Exact_Mass	101.047678466
12304109	XLogP3	2.1
49865355	Hydrogen_Bond_Acceptor_Count	4
12550422	Defined_Bond_Stereo_Count	0
5152	Total_Formal_Charge	0
12443800	Molecular_Weight	113.12
112214	Molecular_Weight	114.10
636908	Covalent_Unit_Count	1
29761	Defined_Atom_Stereo_Count	0
65287	Undefined_Bond_Stereo_Count	1
3035451	TPSA	124
9874874	Total_Formal_Charge	0
817122	Undefined_Bond_Stereo_Count	0
29566	Hydrogen_Bond_Donor_Count	2
47318	Defined_Atom_Stereo_Count	0
447362	Covalent_Unit_Count	1
73024	Defined_Bond_Stereo_Count	0
119058385	Hydrogen_Bond_Donor_Count	3
56845452	Total_Formal_Charge	0
65872	Hydrogen_Bond_Donor_Count	1
53734710	Hydrogen_Bond_Acceptor_Count	2
60144418	Defined_Atom_Stereo_Count	0
694466	TPSA	111
124021	Covalent_Unit_Count	1
135923569	Hydrogen_Bond_Acceptor_Count	4
33038	Hydrogen_Bond_Acceptor_Count	2
73415816	Exact_Mass	482.0563357
65955	Tautomer_Count	6
123690360	Total_Formal_Charge	0
66934489	Undefined_Atom_Stereo_Count	2
69948495	Defined_Atom_Stereo_Count	0
11976	Tautomer_Count	1
25169133	Molecular_Weight	349.75
10975460	Non-hydrogen_Atom_Count	8
11215	Rotatable_Bond_Count	2
23663973	Defined_Bond_Stereo_Count	0
5494414	Structure_Complexity	454
439255	Molecular_Weight	152.15
79309	Mono_Isotopic_Weight	184.0403406
14219	Hydrogen_Bond_Donor_Count	4
243859	Isotope_Atom_Count	0
6253	TPSA	129
9884817	Undefined_Bond_Stereo_Count	0
83891	Defined_Bond_Stereo_Count	0
37467	Non-hydrogen_Atom_Count	18
1133320	Hydrogen_Bond_Acceptor_Count	7
301417	Molecular_Weight	110.11
9249	Rotatable_Bond_Count	0
11434915	Total_Formal_Charge	0
65726	Total_Formal_Charge	0
3927	Isotope_Atom_Count	0
68903	Defined_Bond_Stereo_Count	0
21252133	Exact_Mass	114.104465066
89628790	Defined_Bond_Stereo_Count	0
20082	Exact_Mass	112.125200510
12642471	Defined_Atom_Stereo_Count	0
413539	Hydrogen_Bond_Acceptor_Count	6
13922	Hydrogen_Bond_Acceptor_Count	8
71304	Hydrogen_Bond_Acceptor_Count	4
65049734	Exact_Mass	112.088815002
54682463	Total_Formal_Charge	0
9918460	Undefined_Bond_Stereo_Count	0
19867655	Non-hydrogen_Atom_Count	8
2132	Mono_Isotopic_Weight	375.97859
10920486	Exact_Mass	116.083729621
5329020	Hydrogen_Bond_Acceptor_Count	8
12525	Covalent_Unit_Count	3
102657	Undefined_Atom_Stereo_Count	1
216208	Mono_Isotopic_Weight	505.26890461
1684	XLogP3-AA	4.6
3011721	Hydrogen_Bond_Acceptor_Count	6
9571009	Defined_Atom_Stereo_Count	0
67128499	Hydrogen_Bond_Donor_Count	2
16836	Rotatable_Bond_Count	4
73744469	Molecular_Weight	582.0
3968000	Non-hydrogen_Atom_Count	28
138148	Defined_Atom_Stereo_Count	0
16211113	TPSA	71.7
66764350	Rotatable_Bond_Count	0
6279	Undefined_Atom_Stereo_Count	0
2865	Defined_Atom_Stereo_Count	0
3825	Hydrogen_Bond_Donor_Count	1
57756	Defined_Atom_Stereo_Count	0
34789	Exact_Mass	239.1076919
11254899	Defined_Atom_Stereo_Count	0
10271	Isotope_Atom_Count	0
5288588	Undefined_Bond_Stereo_Count	0
3081358	Total_Formal_Charge	0
10297818	Undefined_Atom_Stereo_Count	0
61040	Hydrogen_Bond_Acceptor_Count	2
24181146	TPSA	161
398592	Exact_Mass	271.18959167
44246529	Hydrogen_Bond_Donor_Count	2
5354022	Total_Formal_Charge	0
10431444	Molecular_Weight	406.4
92251	Hydrogen_Bond_Acceptor_Count	2
118654527	XLogP3-AA	2.5
6440900	Defined_Atom_Stereo_Count	0
102533943	Isotope_Atom_Count	0
179383	TPSA	33.4
217409	Tautomer_Count	4
67125	Molecular_Weight	282.34
21943994	Molecular_Weight	690.8
135578046	TPSA	70.7
16311605	Defined_Bond_Stereo_Count	0
66573	XLogP3-AA	3.5
424893	Structure_Complexity	751
90771502	Defined_Atom_Stereo_Count	0
169371	Exact_Mass	440.15566577
38035	Mono_Isotopic_Weight	255.961333
56928061	TPSA	272
158980	Structure_Complexity	148
136420	Non-hydrogen_Atom_Count	23
84032542	Exact_Mass	113.047678466
22157549	Mono_Isotopic_Weight	389.0711249
92834	XLogP3-AA	2.5
699414	Defined_Bond_Stereo_Count	1
82111162	Mono_Isotopic_Weight	115.099714038
31378	Molecular_Weight	380.4
58028426	Exact_Mass	112.027277375
10492	Tautomer_Count	1
54548956	Molecular_Weight	112.13
8696	Molecular_Weight	345.34
5487542	Isotope_Atom_Count	0
14990169	Exact_Mass	292.276615768
10518	Total_Formal_Charge	0
88520001	XLogP3-AA	5.1
4095	Defined_Bond_Stereo_Count	0
19989310	Undefined_Atom_Stereo_Count	1
179697	Undefined_Bond_Stereo_Count	0
138031	Undefined_Bond_Stereo_Count	0
91501507	Exact_Mass	110.109550447
10288	Hydrogen_Bond_Acceptor_Count	3
6413	Isotope_Atom_Count	0
50990009	Non-hydrogen_Atom_Count	30
55288840	Defined_Atom_Stereo_Count	0
6450807	Covalent_Unit_Count	1
60919	Molecular_Weight	411.5
20632752	Total_Formal_Charge	0
69333861	Hydrogen_Bond_Acceptor_Count	4
165506	XLogP3	2.8
60977	XLogP3-AA	3.9
198747	Covalent_Unit_Count	1
8766	Total_Formal_Charge	0
37854	Hydrogen_Bond_Donor_Count	1
11617559	Covalent_Unit_Count	1
12532405	Non-hydrogen_Atom_Count	7
28429	Structure_Complexity	98.3
23199087	Exact_Mass	92.037448136
82148	Molecular_Weight	243.30
22356182	XLogP3-AA	0.5
18736159	Non-hydrogen_Atom_Count	8
11137094	Exact_Mass	94.078250319
5491612	Structure_Complexity	311
16218742	Undefined_Bond_Stereo_Count	0
87671446	Isotope_Atom_Count	0
19604021	Undefined_Bond_Stereo_Count	0
17842350	Undefined_Bond_Stereo_Count	0
572852	Undefined_Atom_Stereo_Count	0
13662	Exact_Mass	173.047678466
8	Undefined_Bond_Stereo_Count	0
9864202	Total_Formal_Charge	0
9805776	Rotatable_Bond_Count	5
11358	XLogP3	2.9
59864	Hydrogen_Bond_Donor_Count	0
10402760	XLogP3-AA	2
68030	Defined_Atom_Stereo_Count	0
81255	Structure_Complexity	229
21339024	Defined_Atom_Stereo_Count	0
46832769	Molecular_Weight	182.22
6171	TPSA	70.4
58481202	TPSA	190
3918	Molecular_Weight	257.37
155920671	Hydrogen_Bond_Donor_Count	5
7716	Exact_Mass	218.203450829
165611944	Structure_Complexity	111
2267	Defined_Bond_Stereo_Count	0
57396887	Hydrogen_Bond_Donor_Count	3
6134	Isotope_Atom_Count	0
102738	Non-hydrogen_Atom_Count	14
14794987	Structure_Complexity	54.9
1674	XLogP3	6.4
108046	Molecular_Weight	348.4
73216	Isotope_Atom_Count	0
7228	Molecular_Weight	266.4
22082539	Hydrogen_Bond_Donor_Count	0
4912932	XLogP3-AA	0.2
14909256	Covalent_Unit_Count	1
16721	Hydrogen_Bond_Acceptor_Count	6
5977	Undefined_Atom_Stereo_Count	0
77442	Rotatable_Bond_Count	13
1238	Defined_Atom_Stereo_Count	0
105010	TPSA	58.6
57341	Rotatable_Bond_Count	4
10582755	Defined_Atom_Stereo_Count	0
53385579	Defined_Atom_Stereo_Count	4
16689337	Undefined_Bond_Stereo_Count	0
92729	TPSA	29.5
140732872	Undefined_Atom_Stereo_Count	2
4953	Tautomer_Count	40
23675349	Covalent_Unit_Count	2
47471	Total_Formal_Charge	0
10866285	Mono_Isotopic_Weight	110.084398327
89334461	Hydrogen_Bond_Donor_Count	0
49714	Tautomer_Count	1
11721	Hydrogen_Bond_Donor_Count	0
8496	Rotatable_Bond_Count	2
7802604	Exact_Mass	388.13986234
165359778	Defined_Bond_Stereo_Count	2
129720213	Undefined_Atom_Stereo_Count	0
168263	Exact_Mass	114.068079557
138756229	Hydrogen_Bond_Donor_Count	2
135564527	Undefined_Atom_Stereo_Count	0
4657547	Tautomer_Count	1
39526	Isotope_Atom_Count	0
141478347	Rotatable_Bond_Count	1
13878880	Covalent_Unit_Count	1
51200	Rotatable_Bond_Count	3
658645	Hydrogen_Bond_Donor_Count	2
15027981	Total_Formal_Charge	0
55300572	Structure_Complexity	126
13795008	Exact_Mass	97.052763847
118855445	Non-hydrogen_Atom_Count	47
101100163	Exact_Mass	235.099714038
20907	Hydrogen_Bond_Donor_Count	3
141427445	Isotope_Atom_Count	0
82953	Undefined_Bond_Stereo_Count	0
13068	Exact_Mass	192.093900383
12998627	Exact_Mass	250.01157045
24401	Molecular_Weight	118.936
33713	Undefined_Atom_Stereo_Count	2
124504488	Structure_Complexity	382
75332	Defined_Atom_Stereo_Count	0
3795601	Defined_Atom_Stereo_Count	0
41124	Non-hydrogen_Atom_Count	10
129662960	XLogP3-AA	5.3
113917	Rotatable_Bond_Count	4
73946427	Defined_Bond_Stereo_Count	2
59347	Tautomer_Count	1
11185559	Defined_Atom_Stereo_Count	0
447021	Molecular_Weight	339.4
17380	Defined_Atom_Stereo_Count	0
9984487	Defined_Atom_Stereo_Count	0
16760285	Defined_Bond_Stereo_Count	0
60196268	Undefined_Bond_Stereo_Count	0
162883452	Rotatable_Bond_Count	6
2797779	Non-hydrogen_Atom_Count	8
825921	Isotope_Atom_Count	0
34515	Non-hydrogen_Atom_Count	24
153005	Exact_Mass	217.04087901
25868	Molecular_Weight	89.14
76969110	Defined_Bond_Stereo_Count	7
4743	Defined_Bond_Stereo_Count	0
13135	Total_Formal_Charge	0
101955	Mono_Isotopic_Weight	102.0086696
12242815	Non-hydrogen_Atom_Count	11
9787	Structure_Complexity	1350
163429552	Exact_Mass	112.052429494
43834223	TPSA	97.6
139589209	Defined_Bond_Stereo_Count	5
8346	Undefined_Bond_Stereo_Count	0
18779169	Non-hydrogen_Atom_Count	8
42611257	Molecular_Weight	489.9
91739	Tautomer_Count	1
56162	Defined_Bond_Stereo_Count	0
140248	Hydrogen_Bond_Acceptor_Count	5
84658	TPSA	28.7
10373	Hydrogen_Bond_Acceptor_Count	3
158781	Isotope_Atom_Count	0
4373	XLogP3	0.1
387179	Isotope_Atom_Count	0
12739589	TPSA	26.3
69667	Molecular_Weight	104.15
9543213	Isotope_Atom_Count	0
19161	Mono_Isotopic_Weight	326.16304257
73951506	Defined_Atom_Stereo_Count	1
5281894	Defined_Atom_Stereo_Count	0
131673820	Isotope_Atom_Count	0
3082754	Defined_Atom_Stereo_Count	1
114911	Undefined_Atom_Stereo_Count	1
13561474	Hydrogen_Bond_Donor_Count	1
52939724	Hydrogen_Bond_Acceptor_Count	8
76964582	Undefined_Bond_Stereo_Count	0
65535	Covalent_Unit_Count	1
34636	Hydrogen_Bond_Acceptor_Count	5
3839223	Hydrogen_Bond_Acceptor_Count	3
3865578	TPSA	49.4
11970143	Mono_Isotopic_Weight	4897.1470041
50367	Isotope_Atom_Count	0
70695640	Undefined_Atom_Stereo_Count	1
3456	Hydrogen_Bond_Acceptor_Count	3
6436061	Exact_Mass	246.06405680
36688118	Undefined_Atom_Stereo_Count	0
923638	Hydrogen_Bond_Donor_Count	3
74601	Structure_Complexity	135
9395	Defined_Atom_Stereo_Count	0
25793	Hydrogen_Bond_Donor_Count	1
11228765	Isotope_Atom_Count	0
9473	Undefined_Bond_Stereo_Count	0
73919	Non-hydrogen_Atom_Count	16
62276	Total_Formal_Charge	0
139134	Isotope_Atom_Count	0
5004	Isotope_Atom_Count	0
5321948	Hydrogen_Bond_Acceptor_Count	5
119096545	Hydrogen_Bond_Acceptor_Count	2
17904790	XLogP3-AA	0.7
5250834	Defined_Atom_Stereo_Count	0
115205	Rotatable_Bond_Count	13
2762838	Tautomer_Count	1
449424	Rotatable_Bond_Count	7
750190	TPSA	78.2
122639	Mono_Isotopic_Weight	991.32922577
18053	Defined_Atom_Stereo_Count	0
12524	Hydrogen_Bond_Acceptor_Count	2
5362115	Total_Formal_Charge	0
91468768	Undefined_Atom_Stereo_Count	5
851045	XLogP3-AA	0.5
227456	Non-hydrogen_Atom_Count	42
224242	Non-hydrogen_Atom_Count	7
94350	Structure_Complexity	1480
159924	Structure_Complexity	26.8
28794	Isotope_Atom_Count	0
57159129	Hydrogen_Bond_Acceptor_Count	3
24848483	Molecular_Weight	497.9
98685	Isotope_Atom_Count	0
16212960	Exact_Mass	182.07009777
69462477	Isotope_Atom_Count	0
11432307	Undefined_Atom_Stereo_Count	0
51142	XLogP3-AA	8
7761	Total_Formal_Charge	0
11414	Mono_Isotopic_Weight	233.86798
137071	Tautomer_Count	2
153668204	Isotope_Atom_Count	0
52344	Defined_Atom_Stereo_Count	0
198791	Undefined_Bond_Stereo_Count	0
1724	Covalent_Unit_Count	1
5359541	Hydrogen_Bond_Acceptor_Count	0
11919	Isotope_Atom_Count	0
92094	Defined_Bond_Stereo_Count	0
4762	Defined_Atom_Stereo_Count	0
12814875	Undefined_Bond_Stereo_Count	0
27712	Exact_Mass	335.15214353
647893	Structure_Complexity	541
595928	Isotope_Atom_Count	0
6406	Total_Formal_Charge	0
4342487	Hydrogen_Bond_Donor_Count	0
31343	Total_Formal_Charge	0
5289289	TPSA	32.3
319954	Defined_Bond_Stereo_Count	0
13394	Tautomer_Count	3
15558642	Rotatable_Bond_Count	5
154342062	Total_Formal_Charge	0
54236977	Undefined_Atom_Stereo_Count	2
62477	Mono_Isotopic_Weight	130.099379685
37497	Non-hydrogen_Atom_Count	20
49865971	Defined_Bond_Stereo_Count	0
135539077	Covalent_Unit_Count	1
10202381	Exact_Mass	421.23409708
14717865	Exact_Mass	110.084398327
437719	Undefined_Atom_Stereo_Count	0
3083714	Structure_Complexity	2010
29742	Hydrogen_Bond_Acceptor_Count	5
175	TPSA	40.1
74195	Hydrogen_Bond_Acceptor_Count	0
87743	Structure_Complexity	284
10419143	Rotatable_Bond_Count	3
21883050	Hydrogen_Bond_Donor_Count	1
12231381	Defined_Atom_Stereo_Count	0
52942447	XLogP3-AA	4.4
9854489	XLogP3	4.8
148118273	TPSA	0
24012	Isotope_Atom_Count	0
6850729	Isotope_Atom_Count	0
12388	Covalent_Unit_Count	1
15666	Hydrogen_Bond_Acceptor_Count	2
233979	Hydrogen_Bond_Acceptor_Count	2
3081884	Isotope_Atom_Count	0
123744867	TPSA	27.1
5249209	Structure_Complexity	326
58468	Undefined_Bond_Stereo_Count	0
84292	Defined_Atom_Stereo_Count	0
3171	Mono_Isotopic_Weight	213.06372245
18924037	Exact_Mass	113.047678466
68028	TPSA	17.1
908	Tautomer_Count	2
457801	Mono_Isotopic_Weight	414.386166214
57328385	Exact_Mass	407.08816112
89803	Isotope_Atom_Count	0
680036	Exact_Mass	332.17360725
117891679	Undefined_Atom_Stereo_Count	0
54688706	Hydrogen_Bond_Acceptor_Count	12
118210179	Hydrogen_Bond_Acceptor_Count	4
19601937	Total_Formal_Charge	0
193	Exact_Mass	384.12158893
12107	Exact_Mass	149.084063974
2539	Covalent_Unit_Count	1
102239760	Molecular_Weight	704.9
34023	XLogP3	1.2
1083	Molecular_Weight	379.39
8908	Defined_Bond_Stereo_Count	0
193994	Undefined_Bond_Stereo_Count	0
26033	Hydrogen_Bond_Acceptor_Count	8
137859	Undefined_Atom_Stereo_Count	0
13285795	Mono_Isotopic_Weight	85.052763847
5783	Hydrogen_Bond_Donor_Count	1
58655	Rotatable_Bond_Count	3
34982	Hydrogen_Bond_Donor_Count	1
20216100	Structure_Complexity	76.2
165075	Hydrogen_Bond_Acceptor_Count	7
3093785	Non-hydrogen_Atom_Count	17
5483631	Hydrogen_Bond_Acceptor_Count	2
31425	Structure_Complexity	744
82658	Undefined_Atom_Stereo_Count	1
59503411	TPSA	110
10233356	Non-hydrogen_Atom_Count	45
16212610	Undefined_Bond_Stereo_Count	0
34574	Undefined_Atom_Stereo_Count	0
9929430	Defined_Bond_Stereo_Count	0
72941990	Hydrogen_Bond_Acceptor_Count	6
24900813	Hydrogen_Bond_Donor_Count	5
2530251	Undefined_Atom_Stereo_Count	0
1921	Hydrogen_Bond_Donor_Count	1
124770287	Rotatable_Bond_Count	3
12077828	Structure_Complexity	454
7646	Undefined_Bond_Stereo_Count	0
46780884	Total_Formal_Charge	0
3772	Defined_Bond_Stereo_Count	0
45138674	Defined_Atom_Stereo_Count	1
23666879	Undefined_Bond_Stereo_Count	0
68323	Undefined_Bond_Stereo_Count	0
91716	Exact_Mass	298.07759887
21702782	Hydrogen_Bond_Donor_Count	0
6444834	Hydrogen_Bond_Acceptor_Count	6
91759533	Isotope_Atom_Count	0
2898877	Rotatable_Bond_Count	4
4369451	Rotatable_Bond_Count	3
428338	Hydrogen_Bond_Donor_Count	2
73918	Molecular_Weight	154.25
6477715	Isotope_Atom_Count	0
66783827	Structure_Complexity	46.2
3966	Defined_Atom_Stereo_Count	0
6594	Hydrogen_Bond_Acceptor_Count	3
131850547	Defined_Atom_Stereo_Count	0
13000487	Undefined_Bond_Stereo_Count	0
11040651	Mono_Isotopic_Weight	110.073164938
40701	TPSA	9.2
46229348	Rotatable_Bond_Count	2
73895	Tautomer_Count	1
3915	Undefined_Atom_Stereo_Count	2
62278	Defined_Bond_Stereo_Count	0
5462508	TPSA	61.7
11412777	Undefined_Bond_Stereo_Count	0
5362123	Structure_Complexity	619
71464121	Undefined_Bond_Stereo_Count	0
66204	Hydrogen_Bond_Donor_Count	0
46871497	Defined_Atom_Stereo_Count	0
21927801	Rotatable_Bond_Count	4
3292	Undefined_Atom_Stereo_Count	1
44125832	Isotope_Atom_Count	0
6444834	Non-hydrogen_Atom_Count	22
3052762	Undefined_Bond_Stereo_Count	0
92185	Tautomer_Count	1
461128	Rotatable_Bond_Count	2
667550	Isotope_Atom_Count	0
15359	Hydrogen_Bond_Acceptor_Count	6
6918091	TPSA	213
90894106	Hydrogen_Bond_Donor_Count	3
11959	Structure_Complexity	128
8672	Hydrogen_Bond_Acceptor_Count	3
142059572	XLogP3-AA	1.5
5287596	Non-hydrogen_Atom_Count	31
8713	Mono_Isotopic_Weight	125.02992040
138680	Undefined_Bond_Stereo_Count	0
101525	Total_Formal_Charge	0
7240	Mono_Isotopic_Weight	127.0188769
61007	Undefined_Atom_Stereo_Count	0
62705690	Defined_Atom_Stereo_Count	0
259577	Non-hydrogen_Atom_Count	30
16212969	Exact_Mass	416.05303648
133136	Defined_Atom_Stereo_Count	0
11829353	Total_Formal_Charge	0
31297	Molecular_Weight	114.55
52950901	Defined_Bond_Stereo_Count	0
441174	Non-hydrogen_Atom_Count	41
124838013	Rotatable_Bond_Count	11
24434	Undefined_Bond_Stereo_Count	0
15982149	XLogP3-AA	0.2
397614	Total_Formal_Charge	0
84567	Structure_Complexity	245
946793	Exact_Mass	324.14739250
135398731	Non-hydrogen_Atom_Count	32
97391	TPSA	0
548678	TPSA	29.1
68689	Molecular_Weight	185.31
65060	Total_Formal_Charge	0
105075	Defined_Atom_Stereo_Count	0
16932	TPSA	0
5371002	Isotope_Atom_Count	0
50222	Molecular_Weight	432.5
62835	XLogP3-AA	0.4
51041	XLogP3	6.6
53326398	Structure_Complexity	1110
137572	Defined_Bond_Stereo_Count	0
55291103	Hydrogen_Bond_Acceptor_Count	3
89053261	Defined_Atom_Stereo_Count	0
230826	Defined_Atom_Stereo_Count	0
2734233	Defined_Atom_Stereo_Count	0
6436059	Defined_Bond_Stereo_Count	2
6327	Total_Formal_Charge	0
89339	Isotope_Atom_Count	0
76507	Hydrogen_Bond_Acceptor_Count	3
2386	Total_Formal_Charge	2
58098237	Defined_Bond_Stereo_Count	0
107760	Non-hydrogen_Atom_Count	31
60150185	Undefined_Bond_Stereo_Count	0
314184	Covalent_Unit_Count	1
8354	TPSA	57.6
91139914	XLogP3-AA	2.7
44557554	Hydrogen_Bond_Donor_Count	2
7135	Defined_Atom_Stereo_Count	0
62724	Undefined_Bond_Stereo_Count	0
11350	Total_Formal_Charge	0
3922	Total_Formal_Charge	0
136664419	Rotatable_Bond_Count	5
18730043	Non-hydrogen_Atom_Count	7
89118	Isotope_Atom_Count	0
70129	Structure_Complexity	139
642325	Defined_Atom_Stereo_Count	0
34665	Hydrogen_Bond_Acceptor_Count	5
78435478	Non-hydrogen_Atom_Count	23
21162821	Undefined_Bond_Stereo_Count	0
198061	TPSA	49.8
46937007	TPSA	203
16412	Structure_Complexity	202
461279	Hydrogen_Bond_Acceptor_Count	10
5735	Structure_Complexity	573
11650986	Hydrogen_Bond_Donor_Count	4
13595226	Structure_Complexity	109
12836140	Molecular_Weight	111.18
22256270	Defined_Atom_Stereo_Count	0
135405908	Total_Formal_Charge	0
11518241	Structure_Complexity	647
131634493	Isotope_Atom_Count	0
5281417	Non-hydrogen_Atom_Count	24
518455	Structure_Complexity	64.7
134693124	Isotope_Atom_Count	0
40471	Hydrogen_Bond_Acceptor_Count	0
91667591	Mono_Isotopic_Weight	977.2875094
69401251	Mono_Isotopic_Weight	111.068413911
5460056	Covalent_Unit_Count	1
36976	TPSA	108
11267045	Non-hydrogen_Atom_Count	23
42174	Undefined_Atom_Stereo_Count	1
76319	Undefined_Bond_Stereo_Count	0
55299744	Hydrogen_Bond_Acceptor_Count	2
60714	Rotatable_Bond_Count	5
1498	Undefined_Atom_Stereo_Count	0
89708952	Rotatable_Bond_Count	0
5288527	Rotatable_Bond_Count	4
11971580	Covalent_Unit_Count	1
5899068	Tautomer_Count	1
6697	TPSA	17.1
67944215	Undefined_Atom_Stereo_Count	1
138335	Defined_Bond_Stereo_Count	0
6695	Non-hydrogen_Atom_Count	33
140066067	Molecular_Weight	107.11
239041	Molecular_Weight	55.08
39174	Defined_Bond_Stereo_Count	0
17875436	Isotope_Atom_Count	0
68703149	Defined_Bond_Stereo_Count	0
44392137	Structure_Complexity	820
15427	TPSA	12.4
208925	Defined_Bond_Stereo_Count	0
5282768	Covalent_Unit_Count	1
6471	Total_Formal_Charge	0
57390700	Hydrogen_Bond_Acceptor_Count	9
60612	Mono_Isotopic_Weight	200.131348519
93227	Undefined_Bond_Stereo_Count	0
115811143	Defined_Atom_Stereo_Count	0
19601345	Mono_Isotopic_Weight	87.068413911
41092	TPSA	17.1
10239	Defined_Bond_Stereo_Count	0
62817	Isotope_Atom_Count	0
5281232	Hydrogen_Bond_Donor_Count	2
162642814	Undefined_Bond_Stereo_Count	0
56679083	Mono_Isotopic_Weight	1421.74894144
10290728	Undefined_Atom_Stereo_Count	0
135398737	Non-hydrogen_Atom_Count	23
4092	Undefined_Atom_Stereo_Count	1
2762918	Hydrogen_Bond_Donor_Count	1
86014	Exact_Mass	96.093900383
444614	Rotatable_Bond_Count	4
11977152	Defined_Atom_Stereo_Count	0
10240772	Molecular_Weight	101.10
5367460	Hydrogen_Bond_Acceptor_Count	2
819109	Undefined_Bond_Stereo_Count	0
54046888	Undefined_Atom_Stereo_Count	1
156599239	Total_Formal_Charge	0
96237	Molecular_Weight	286.3
3000469	Exact_Mass	312.19367399
7337	Defined_Atom_Stereo_Count	0
64236	XLogP3-AA	1.8
6223	Mono_Isotopic_Weight	326.03949928
398635	XLogP3-AA	5
71681318	Undefined_Atom_Stereo_Count	2
68023	Rotatable_Bond_Count	1
454202	Rotatable_Bond_Count	7
70807	TPSA	75.2
60814	Total_Formal_Charge	0
58594768	Molecular_Weight	180.16
22034820	Hydrogen_Bond_Acceptor_Count	2
10098	Tautomer_Count	5
63245	Defined_Bond_Stereo_Count	0
1361	Hydrogen_Bond_Acceptor_Count	8
76398	Non-hydrogen_Atom_Count	7
56841013	Structure_Complexity	488
101513786	Defined_Bond_Stereo_Count	0
98047377	Exact_Mass	284.16237386
29665	Defined_Bond_Stereo_Count	0
6885	Non-hydrogen_Atom_Count	10
5889665	Hydrogen_Bond_Acceptor_Count	4
8705	Undefined_Bond_Stereo_Count	0
6230	TPSA	37.3
9554198	Undefined_Atom_Stereo_Count	2
72743	Total_Formal_Charge	0
13270940	Defined_Atom_Stereo_Count	0
709225	Defined_Bond_Stereo_Count	0
124	Tautomer_Count	2
1437819	Molecular_Weight	341.8
18343309	Hydrogen_Bond_Acceptor_Count	4
16739648	Hydrogen_Bond_Acceptor_Count	3
138924	Non-hydrogen_Atom_Count	7
40807	Undefined_Atom_Stereo_Count	0
70281073	Exact_Mass	387.17289623
6604902	Defined_Bond_Stereo_Count	0
3055174	XLogP3	3
61892972	Exact_Mass	99.104799419
636397	Undefined_Bond_Stereo_Count	0
135438424	Exact_Mass	649.04104222
638081	Structure_Complexity	121
134717	Tautomer_Count	1
30487	Undefined_Bond_Stereo_Count	0
133613144	Hydrogen_Bond_Donor_Count	3
567118	TPSA	64.9
6433082	Isotope_Atom_Count	0
2763750	Undefined_Bond_Stereo_Count	0
71776638	Undefined_Bond_Stereo_Count	0
102821	Molecular_Weight	423.7
75634	Defined_Bond_Stereo_Count	0
439739	Molecular_Weight	346.5
141466486	Total_Formal_Charge	0
8599	Hydrogen_Bond_Acceptor_Count	7
24838350	Mono_Isotopic_Weight	1058.31784
6282	Covalent_Unit_Count	3
100472	Undefined_Atom_Stereo_Count	0
179336	Hydrogen_Bond_Acceptor_Count	5
292661	TPSA	104
12599323	Molecular_Weight	104.15
53643899	Defined_Bond_Stereo_Count	0
98051220	Defined_Atom_Stereo_Count	6
4195974	Undefined_Bond_Stereo_Count	0
53486260	Rotatable_Bond_Count	8
453326	Exact_Mass	288.0777887
8989	Rotatable_Bond_Count	12
96387	Molecular_Weight	177.24
30815	Exact_Mass	169.0294416
300	Defined_Bond_Stereo_Count	0
10096344	Defined_Bond_Stereo_Count	0
129664338	Structure_Complexity	374
5136276	Defined_Atom_Stereo_Count	0
100969894	Non-hydrogen_Atom_Count	8
2766	Hydrogen_Bond_Donor_Count	2
11416654	Defined_Atom_Stereo_Count	1
81217	Hydrogen_Bond_Donor_Count	4
88153938	Rotatable_Bond_Count	1
84081255	Structure_Complexity	90.6
107977	Covalent_Unit_Count	1
10291931	Defined_Bond_Stereo_Count	0
13207	Structure_Complexity	101
75675	Molecular_Weight	192.32
968625	TPSA	74.9
118797455	XLogP3-AA	5.1
65552	XLogP3-AA	5.2
22056720	Hydrogen_Bond_Acceptor_Count	1
24825758	Molecular_Weight	1169.5
494123	Hydrogen_Bond_Acceptor_Count	1
72521	Isotope_Atom_Count	0
100930731	Non-hydrogen_Atom_Count	7
56670167	Hydrogen_Bond_Acceptor_Count	6
123556697	Total_Formal_Charge	0
24748573	Defined_Atom_Stereo_Count	0
162639102	Hydrogen_Bond_Acceptor_Count	11
6918188	Rotatable_Bond_Count	9
25113157	Defined_Atom_Stereo_Count	2
81669	Non-hydrogen_Atom_Count	8
6854	Exact_Mass	167.073499291
44195571	Mono_Isotopic_Weight	521.22498894
593369	XLogP3-AA	3.7
68026923	Structure_Complexity	130
14528851	Molecular_Weight	112.17
56202	Isotope_Atom_Count	0
75082	Defined_Bond_Stereo_Count	0
10442	Covalent_Unit_Count	1
46861540	Mono_Isotopic_Weight	459.090805
54456063	XLogP3-AA	0.7
135491728	Rotatable_Bond_Count	9
123935295	Structure_Complexity	98.5
3084667	Tautomer_Count	1
19648	Exact_Mass	1456.4334786
14121451	Covalent_Unit_Count	1
24020	Rotatable_Bond_Count	4
60207729	Hydrogen_Bond_Acceptor_Count	4
21914506	Non-hydrogen_Atom_Count	8
9576002	Hydrogen_Bond_Donor_Count	7
11479128	Undefined_Atom_Stereo_Count	0
38439	Exact_Mass	355.854618
66191	Non-hydrogen_Atom_Count	9
12692921	Defined_Atom_Stereo_Count	0
10076625	Rotatable_Bond_Count	10
413519	Undefined_Bond_Stereo_Count	0
2531445	Undefined_Atom_Stereo_Count	0
573553	Undefined_Bond_Stereo_Count	0
2733984	Structure_Complexity	82.6
28858	Defined_Atom_Stereo_Count	0
20206050	Hydrogen_Bond_Acceptor_Count	2
6328144	Defined_Atom_Stereo_Count	0
92786	Defined_Bond_Stereo_Count	0
58197	Total_Formal_Charge	0
65755	Rotatable_Bond_Count	7
94221	Molecular_Weight	152.23
48011	Rotatable_Bond_Count	12
15747657	Defined_Bond_Stereo_Count	0
117762967	Non-hydrogen_Atom_Count	15
28031	Defined_Bond_Stereo_Count	0
4234	Molecular_Weight	678.8
5311201	Structure_Complexity	658
916113	Defined_Atom_Stereo_Count	0
31369	Hydrogen_Bond_Donor_Count	0
20033044	Defined_Atom_Stereo_Count	0
4886	TPSA	30.9
17985540	Covalent_Unit_Count	1
20943	XLogP3	2.6
23876	Total_Formal_Charge	0
520668	Undefined_Atom_Stereo_Count	0
21685	Exact_Mass	206.167065321
53988715	Hydrogen_Bond_Acceptor_Count	3
83433	Covalent_Unit_Count	1
14534553	Hydrogen_Bond_Donor_Count	2
163829	Exact_Mass	1392.73362573
102029	Hydrogen_Bond_Donor_Count	1
41268	Hydrogen_Bond_Donor_Count	1
1474853	Undefined_Bond_Stereo_Count	0
85475	Structure_Complexity	238
81261	Isotope_Atom_Count	0
30214	Hydrogen_Bond_Acceptor_Count	2
21594228	Hydrogen_Bond_Acceptor_Count	7
80375	XLogP3	4.3
5484	Undefined_Atom_Stereo_Count	0
10267079	Undefined_Bond_Stereo_Count	0
13302066	TPSA	40.5
17050	TPSA	29.5
10155136	Exact_Mass	355.13321961
54231313	Total_Formal_Charge	0
54585373	Total_Formal_Charge	0
580518	Undefined_Bond_Stereo_Count	1
10039361	XLogP3-AA	1.2
25050	Undefined_Bond_Stereo_Count	0
6277	Undefined_Bond_Stereo_Count	0
22140765	Undefined_Bond_Stereo_Count	0
4047	Total_Formal_Charge	0
16726085	Non-hydrogen_Atom_Count	30
13416	Defined_Bond_Stereo_Count	0
17834171	Hydrogen_Bond_Acceptor_Count	2
54583932	Hydrogen_Bond_Acceptor_Count	4
21207	Molecular_Weight	299.28
34001	Molecular_Weight	341.8
36811	Isotope_Atom_Count	0
56828	Rotatable_Bond_Count	9
7647	Non-hydrogen_Atom_Count	14
69627	Undefined_Bond_Stereo_Count	0
14028213	Structure_Complexity	141
11438771	Hydrogen_Bond_Donor_Count	0
37274	Defined_Atom_Stereo_Count	0
56955185	Mono_Isotopic_Weight	351.173547683
156693217	Undefined_Atom_Stereo_Count	1
14578458	Exact_Mass	101.084063974
131704172	Covalent_Unit_Count	2
7017816	Mono_Isotopic_Weight	108.068748264
11651197	Hydrogen_Bond_Acceptor_Count	4
491728	Structure_Complexity	553
5284329	Mono_Isotopic_Weight	520.25867428
135402009	Total_Formal_Charge	0
23729666	Exact_Mass	386.2124913
19089031	Non-hydrogen_Atom_Count	7
3081372	Undefined_Bond_Stereo_Count	0
54574891	Mono_Isotopic_Weight	99.104799419
12744661	Mono_Isotopic_Weight	83.048347172
137224318	Undefined_Atom_Stereo_Count	0
25076512	Exact_Mass	1633.77700666
3462	Total_Formal_Charge	0
13075	Mono_Isotopic_Weight	240.11817103
21490213	Hydrogen_Bond_Acceptor_Count	2
26684	Mono_Isotopic_Weight	310.1248191
25014762	Molecular_Weight	446.5
21700	Hydrogen_Bond_Donor_Count	1
62097	Defined_Atom_Stereo_Count	0
10975412	Undefined_Atom_Stereo_Count	1
14435951	Hydrogen_Bond_Acceptor_Count	1
2781	Rotatable_Bond_Count	6
609	Rotatable_Bond_Count	3
82650934	Undefined_Bond_Stereo_Count	0
13363033	Defined_Bond_Stereo_Count	0
54583833	Hydrogen_Bond_Acceptor_Count	4
85983	Total_Formal_Charge	0
57371080	Undefined_Bond_Stereo_Count	0
77152	Exact_Mass	246.06922237
208921	Total_Formal_Charge	0
10850	Covalent_Unit_Count	1
57515	Hydrogen_Bond_Donor_Count	2
636368	Molecular_Weight	484.5
545317	Molecular_Weight	226.27
174076	Isotope_Atom_Count	0
3084049	Structure_Complexity	1300
25271829	Undefined_Bond_Stereo_Count	0
6081	Hydrogen_Bond_Donor_Count	3
102090390	Hydrogen_Bond_Acceptor_Count	0
54217822	Exact_Mass	122.00376522
14437479	Non-hydrogen_Atom_Count	8
67825	Isotope_Atom_Count	0
20141078	Structure_Complexity	117
5360487	Isotope_Atom_Count	0
69333884	Mono_Isotopic_Weight	107.048347172
25023847	Covalent_Unit_Count	1
37563	Isotope_Atom_Count	0
702695	Hydrogen_Bond_Acceptor_Count	5
11291932	Defined_Atom_Stereo_Count	0
15758	Rotatable_Bond_Count	0
16091082	Undefined_Atom_Stereo_Count	0
135348034	Isotope_Atom_Count	0
140363414	Exact_Mass	102.079312947
11597936	Covalent_Unit_Count	1
129009989	Defined_Atom_Stereo_Count	9
117781134	Defined_Bond_Stereo_Count	0
22424	Non-hydrogen_Atom_Count	29
44414758	XLogP3-AA	4.8
25203188	Rotatable_Bond_Count	6
136340880	Molecular_Weight	108.10
55515	Total_Formal_Charge	0
6815	XLogP3-AA	8.6
442793	Non-hydrogen_Atom_Count	21
53472153	Isotope_Atom_Count	0
68236	Non-hydrogen_Atom_Count	12
96160	Structure_Complexity	47.9
519543	Hydrogen_Bond_Donor_Count	0
14742703	XLogP3-AA	4.8
68028	Hydrogen_Bond_Acceptor_Count	4
139057564	Hydrogen_Bond_Donor_Count	2
148201	Mono_Isotopic_Weight	646.27913494
475	Defined_Bond_Stereo_Count	0
70986	Mono_Isotopic_Weight	228.01498
145994360	Covalent_Unit_Count	1
166572	Defined_Bond_Stereo_Count	0
94973	Rotatable_Bond_Count	1
57392729	Undefined_Atom_Stereo_Count	0
17818	Isotope_Atom_Count	0
135474265	Tautomer_Count	3
4593	TPSA	70.2
9867812	Structure_Complexity	601
18329551	Defined_Atom_Stereo_Count	0
3371	Defined_Atom_Stereo_Count	0
84647649	Defined_Bond_Stereo_Count	0
23591662	Total_Formal_Charge	0
859122	Covalent_Unit_Count	1
15937952	Non-hydrogen_Atom_Count	7
90750	Covalent_Unit_Count	1
94222	Defined_Bond_Stereo_Count	0
65772	TPSA	80.2
57515973	Hydrogen_Bond_Donor_Count	4
135589116	Undefined_Atom_Stereo_Count	0
57401680	Hydrogen_Bond_Acceptor_Count	5
20250	Structure_Complexity	172
91572	Hydrogen_Bond_Acceptor_Count	4
98323	Defined_Bond_Stereo_Count	0
68696	XLogP3-AA	3.3
15145	Hydrogen_Bond_Acceptor_Count	1
59503411	Undefined_Bond_Stereo_Count	0
19001504	Undefined_Bond_Stereo_Count	0
162918373	TPSA	279
71698	Undefined_Bond_Stereo_Count	0
12295391	Non-hydrogen_Atom_Count	8
398744	Covalent_Unit_Count	1
79319	Hydrogen_Bond_Donor_Count	0
12271341	TPSA	12.5
21998472	Mono_Isotopic_Weight	208.146329876
60196406	Hydrogen_Bond_Donor_Count	3
694652	Molecular_Weight	329.4
1877	Rotatable_Bond_Count	16
57656715	XLogP3-AA	3.5
73759663	Hydrogen_Bond_Donor_Count	2
6854	Total_Formal_Charge	0
114831	Defined_Bond_Stereo_Count	0
9796154	Exact_Mass	294.19434270
86711	Tautomer_Count	1
11744314	Mono_Isotopic_Weight	446.1608497
11556427	Undefined_Bond_Stereo_Count	0
5283741	Molecular_Weight	416.6
3777650	TPSA	65.1
32065	Total_Formal_Charge	0
15940571	TPSA	119
7098617	Structure_Complexity	382
23204	Total_Formal_Charge	0
5281394	TPSA	200
598	TPSA	63.8
222714	Undefined_Bond_Stereo_Count	0
153000	Molecular_Weight	99.09
60044711	Non-hydrogen_Atom_Count	8
12082850	Hydrogen_Bond_Donor_Count	5
19137	Hydrogen_Bond_Acceptor_Count	3
2312	Mono_Isotopic_Weight	289.240564612
15202861	Rotatable_Bond_Count	1
22335779	XLogP3-AA	0
627867	Molecular_Weight	306.4
10192563	Tautomer_Count	1
548	Molecular_Weight	200.14
590908	Isotope_Atom_Count	0
92277	Undefined_Bond_Stereo_Count	0
65822	Defined_Atom_Stereo_Count	0
10395255	Defined_Bond_Stereo_Count	1
41897	Isotope_Atom_Count	0
135398737	Defined_Atom_Stereo_Count	0
13232	Defined_Bond_Stereo_Count	0
79014	Defined_Bond_Stereo_Count	0
548545	Isotope_Atom_Count	0
3718	Non-hydrogen_Atom_Count	21
109325	Non-hydrogen_Atom_Count	13
520277	Undefined_Atom_Stereo_Count	0
5743836	TPSA	49.8
5288769	Hydrogen_Bond_Acceptor_Count	11
3037914	Non-hydrogen_Atom_Count	28
56845949	Non-hydrogen_Atom_Count	6
129654248	Undefined_Bond_Stereo_Count	0
11063784	Mono_Isotopic_Weight	214.08412354
17142	Hydrogen_Bond_Acceptor_Count	6
11466	Hydrogen_Bond_Acceptor_Count	2
15567528	Exact_Mass	112.063662883
2228691	Defined_Atom_Stereo_Count	0
8150	Hydrogen_Bond_Acceptor_Count	3
22125	Defined_Atom_Stereo_Count	0
138109343	Undefined_Atom_Stereo_Count	2
70124	Undefined_Atom_Stereo_Count	1
124823816	TPSA	20.2
17779280	Covalent_Unit_Count	1
130804	Rotatable_Bond_Count	8
53321035	Structure_Complexity	347
6273	Molecular_Weight	226.23
3821	Undefined_Bond_Stereo_Count	0
44228720	Covalent_Unit_Count	1
5437	Total_Formal_Charge	0
51763	Undefined_Bond_Stereo_Count	0
51371732	Hydrogen_Bond_Acceptor_Count	5
9960569	Undefined_Atom_Stereo_Count	0
53870064	Structure_Complexity	113
6950306	Defined_Atom_Stereo_Count	1
59058905	Hydrogen_Bond_Acceptor_Count	4
126514322	Covalent_Unit_Count	1
65410	Undefined_Bond_Stereo_Count	0
71541190	Structure_Complexity	230
158348	Hydrogen_Bond_Donor_Count	1
60202105	Covalent_Unit_Count	1
132992789	Structure_Complexity	102
77781	Mono_Isotopic_Weight	206.06128010
3335	Mono_Isotopic_Weight	254.094294304
63009	Non-hydrogen_Atom_Count	21
30844	XLogP3-AA	3.1
4503	Hydrogen_Bond_Acceptor_Count	17
14055	Exact_Mass	51.010899036
91468	Tautomer_Count	2
74454	Hydrogen_Bond_Acceptor_Count	2
247769	TPSA	26
5486998	Tautomer_Count	3
69356	Tautomer_Count	1
101080369	Non-hydrogen_Atom_Count	3
149208291	Exact_Mass	97.089149355
72200357	Defined_Bond_Stereo_Count	0
20280	Rotatable_Bond_Count	15
7366	Mono_Isotopic_Weight	134.109550447
53947	Isotope_Atom_Count	0
56955187	Hydrogen_Bond_Donor_Count	1
25137911	TPSA	20.1
63893	Defined_Atom_Stereo_Count	0
447569	Exact_Mass	131.058243149
13707493	Undefined_Atom_Stereo_Count	0
7225	TPSA	26
129634850	Rotatable_Bond_Count	1
83146	Exact_Mass	158.118103753
10428273	Defined_Atom_Stereo_Count	0
77946	Covalent_Unit_Count	1
45358158	Covalent_Unit_Count	1
53077	TPSA	23.5
82175	XLogP3-AA	4.8
131731052	Isotope_Atom_Count	0
7098	XLogP3	4.6
1355	Mono_Isotopic_Weight	196.0767261
20277171	Molecular_Weight	125.21
15736732	Defined_Atom_Stereo_Count	7
134688371	Undefined_Atom_Stereo_Count	0
22002061	Molecular_Weight	116.16
641001	Undefined_Bond_Stereo_Count	0
14743	Exact_Mass	420.26644501
71356656	Defined_Atom_Stereo_Count	0
61080	Rotatable_Bond_Count	5
6444397	Total_Formal_Charge	0
23657874	Defined_Bond_Stereo_Count	0
23532160	Structure_Complexity	94.5
54516038	Exact_Mass	117.078978594
20220664	Structure_Complexity	86.5
3047810	XLogP3-AA	2.5
5708	Molecular_Weight	314.1
440927	Tautomer_Count	36
441301	Total_Formal_Charge	0
14946164	Defined_Bond_Stereo_Count	0
13531445	XLogP3-AA	0.2
544	Undefined_Atom_Stereo_Count	0
705497	Defined_Atom_Stereo_Count	0
2153	TPSA	69.3
4507	Undefined_Bond_Stereo_Count	0
71449750	Mono_Isotopic_Weight	467.21686904
4369188	Structure_Complexity	1200
54675758	Hydrogen_Bond_Acceptor_Count	8
111509	Exact_Mass	88.052429494
28495	Molecular_Weight	181.15
53484514	Defined_Atom_Stereo_Count	0
14643175	Total_Formal_Charge	0
6966	Total_Formal_Charge	0
58792515	Structure_Complexity	139
1481	Mono_Isotopic_Weight	366.055628
45852	Total_Formal_Charge	0
12546243	Non-hydrogen_Atom_Count	6
6327657	Structure_Complexity	207
86187	XLogP3-AA	2
136316	Non-hydrogen_Atom_Count	8
60975	Molecular_Weight	265.78
13551761	Total_Formal_Charge	0
156024996	Undefined_Atom_Stereo_Count	0
12407016	Non-hydrogen_Atom_Count	8
81653	Mono_Isotopic_Weight	101.120449483
5650	Undefined_Atom_Stereo_Count	1
11973	Undefined_Bond_Stereo_Count	0
13661	Total_Formal_Charge	0
31738	Non-hydrogen_Atom_Count	13
89402065	Isotope_Atom_Count	0
60196291	TPSA	606
9964076	Covalent_Unit_Count	1
24176	Total_Formal_Charge	0
137118	Undefined_Atom_Stereo_Count	0
23686132	Defined_Atom_Stereo_Count	0
123816513	Defined_Bond_Stereo_Count	0
135565471	TPSA	297
20483609	Rotatable_Bond_Count	1
405298	Covalent_Unit_Count	1
135747	XLogP3-AA	0.3
79704	Hydrogen_Bond_Acceptor_Count	5
3022	Defined_Atom_Stereo_Count	0
1206	Tautomer_Count	1
5270576	Undefined_Bond_Stereo_Count	0
3239844	Undefined_Bond_Stereo_Count	0
4017	Exact_Mass	1406.93370526
12539007	Isotope_Atom_Count	0
2060890	Molecular_Weight	342.8
12302694	Isotope_Atom_Count	0
9570985	Non-hydrogen_Atom_Count	38
67045	Undefined_Atom_Stereo_Count	0
62753	Total_Formal_Charge	0
53944814	Mono_Isotopic_Weight	102.031694049
101194	XLogP3-AA	0.2
9570093	Defined_Atom_Stereo_Count	0
47965	Isotope_Atom_Count	0
67520	Isotope_Atom_Count	0
165157	Molecular_Weight	887.0
306049	Mono_Isotopic_Weight	222.0811428
42350	Total_Formal_Charge	0
10290744	Total_Formal_Charge	0
46164	Isotope_Atom_Count	0
6918160	Mono_Isotopic_Weight	373.22530847
12266719	Undefined_Bond_Stereo_Count	0
19778484	Structure_Complexity	142
16129620	Exact_Mass	3356.8220541
20497	Exact_Mass	106.062994177
6168	Rotatable_Bond_Count	3
54680675	TPSA	188
69732358	Mono_Isotopic_Weight	100.100048391
90916291	Hydrogen_Bond_Acceptor_Count	1
134694738	Defined_Atom_Stereo_Count	2
143647928	Covalent_Unit_Count	1
13401682	Rotatable_Bond_Count	3
62388	Exact_Mass	224.14124450
143378061	Undefined_Bond_Stereo_Count	0
14010333	Hydrogen_Bond_Acceptor_Count	4
562676	XLogP3-AA	2.6
53817503	Undefined_Bond_Stereo_Count	0
6071	Undefined_Bond_Stereo_Count	0
76714	TPSA	52
101813505	Defined_Atom_Stereo_Count	0
13522	Defined_Bond_Stereo_Count	0
87481476	Covalent_Unit_Count	1
134826477	Non-hydrogen_Atom_Count	49
45488104	Undefined_Atom_Stereo_Count	0
233707	Rotatable_Bond_Count	1
89572	Molecular_Weight	214.64
640	Defined_Atom_Stereo_Count	0
20135736	Defined_Atom_Stereo_Count	0
2324	Total_Formal_Charge	0
90628	Exact_Mass	332.152604
23724935	Structure_Complexity	447
117683867	Rotatable_Bond_Count	6
14416477	Defined_Atom_Stereo_Count	0
9958995	Structure_Complexity	1310
21653	Tautomer_Count	10
261075	Rotatable_Bond_Count	4
2448	Total_Formal_Charge	0
10039774	Exact_Mass	288.208930132
58247571	Covalent_Unit_Count	1
13315542	Hydrogen_Bond_Donor_Count	0
955	Undefined_Atom_Stereo_Count	0
219104	Structure_Complexity	111
6440938	Hydrogen_Bond_Donor_Count	1
66545759	Structure_Complexity	880
21407	Structure_Complexity	61.1
7964	Rotatable_Bond_Count	0
12161	Molecular_Weight	118.18
2955894	Molecular_Weight	407.5
142952	Structure_Complexity	107
57397775	Total_Formal_Charge	0
56931136	Molecular_Weight	462.9
87112	TPSA	43.4
5362620	Hydrogen_Bond_Acceptor_Count	1
44629525	XLogP3-AA	5.6
11363	Total_Formal_Charge	0
29352	Mono_Isotopic_Weight	152.083729621
7614	Defined_Bond_Stereo_Count	0
518700	TPSA	1
771852	Molecular_Weight	302.30
54377545	Mono_Isotopic_Weight	99.068413911
12309519	Mono_Isotopic_Weight	324.183778013
23684827	Covalent_Unit_Count	2
145562	Non-hydrogen_Atom_Count	4
135413546	Molecular_Weight	324.13
17722	Defined_Bond_Stereo_Count	0
51759	Molecular_Weight	482.6
129319344	Defined_Bond_Stereo_Count	0
53670643	Mono_Isotopic_Weight	114.042927438
441397	Exact_Mass	465.15697138
87754	Molecular_Weight	215.04
16114800	Hydrogen_Bond_Donor_Count	4
4034	Exact_Mass	390.1862766
6918606	Undefined_Bond_Stereo_Count	0
4934	Undefined_Bond_Stereo_Count	0
3413278	Structure_Complexity	601
91809622	Hydrogen_Bond_Acceptor_Count	8
122415	Exact_Mass	154.135765193
4224798	Isotope_Atom_Count	0
70732	Covalent_Unit_Count	1
61510	Isotope_Atom_Count	0
80934	Total_Formal_Charge	0
59502	Molecular_Weight	340.5
12349940	Hydrogen_Bond_Donor_Count	0
86811257	Exact_Mass	114.068079557
68973	Exact_Mass	48.012887157
695341	XLogP3	1.3
74828	Molecular_Weight	136.62
88533	Hydrogen_Bond_Acceptor_Count	2
572331	Defined_Atom_Stereo_Count	0
2766	Undefined_Bond_Stereo_Count	1
49769064	Rotatable_Bond_Count	9
57400037	Rotatable_Bond_Count	3
11499245	Exact_Mass	152.0444878
18984686	Mono_Isotopic_Weight	99.032028402
15992306	Molecular_Weight	388.3
6325	Defined_Bond_Stereo_Count	0
135977933	Exact_Mass	280.001424
114751	Covalent_Unit_Count	1
54677971	Defined_Atom_Stereo_Count	0
45484851	Hydrogen_Bond_Acceptor_Count	3
16211189	Non-hydrogen_Atom_Count	13
53943526	Mono_Isotopic_Weight	99.032028402
84658	Covalent_Unit_Count	1
87280032	Total_Formal_Charge	0
85843728	TPSA	29.4
4669250	Hydrogen_Bond_Donor_Count	1
5358	Hydrogen_Bond_Donor_Count	2
8661	Exact_Mass	566.11412077
21893333	Undefined_Atom_Stereo_Count	2
101576	Hydrogen_Bond_Acceptor_Count	1
7102	Total_Formal_Charge	0
54205474	TPSA	12
9318	TPSA	80.3
289460	Exact_Mass	228.09324893
5279171	Defined_Bond_Stereo_Count	0
3847	Structure_Complexity	224
19016	Tautomer_Count	1
18635	Exact_Mass	104.02958605
96350	Defined_Atom_Stereo_Count	0
4545429	Molecular_Weight	391.3
67542	Hydrogen_Bond_Acceptor_Count	13
10176589	Isotope_Atom_Count	0
66614	Total_Formal_Charge	0
134695341	Structure_Complexity	1550
131751341	Isotope_Atom_Count	0
134129858	Molecular_Weight	439.0
60569	Defined_Bond_Stereo_Count	0
86231890	Defined_Bond_Stereo_Count	0
35676	Molecular_Weight	214.19
15787996	Hydrogen_Bond_Acceptor_Count	4
21059304	Total_Formal_Charge	0
9985199	Hydrogen_Bond_Donor_Count	3
24646	Total_Formal_Charge	0
67472	Mono_Isotopic_Weight	180.068748264
656954	Rotatable_Bond_Count	2
130114929	Undefined_Bond_Stereo_Count	0
74346	Defined_Atom_Stereo_Count	0
151404	Molecular_Weight	69.06
15568242	Molecular_Weight	118.20
441073	XLogP3	2.9
49838879	Undefined_Bond_Stereo_Count	0
63449	Hydrogen_Bond_Donor_Count	2
739236	Structure_Complexity	236
5281708	Rotatable_Bond_Count	1
5818	Undefined_Atom_Stereo_Count	0
123268	TPSA	40.1
284980	Mono_Isotopic_Weight	217.9901349
66117	Structure_Complexity	142
23665730	Hydrogen_Bond_Donor_Count	0
23718384	Structure_Complexity	477
79741	Non-hydrogen_Atom_Count	10
72760	TPSA	98.8
5281525	Hydrogen_Bond_Acceptor_Count	1
128229	TPSA	267
46936422	Molecular_Weight	867.1
9549284	Rotatable_Bond_Count	3
5282367	Mono_Isotopic_Weight	444.302830514
44345281	TPSA	91.4
32359	Hydrogen_Bond_Acceptor_Count	3
59107407	Covalent_Unit_Count	1
142809	Covalent_Unit_Count	1
204109	Mono_Isotopic_Weight	381.08349271
17814354	Undefined_Bond_Stereo_Count	0
21718305	Covalent_Unit_Count	1
23009814	Total_Formal_Charge	0
51042438	Hydrogen_Bond_Acceptor_Count	6
5281794	Defined_Bond_Stereo_Count	1
27531	Tautomer_Count	4
45266908	Hydrogen_Bond_Acceptor_Count	19
84878	Rotatable_Bond_Count	0
5656	Molecular_Weight	277.4
117	Hydrogen_Bond_Donor_Count	3
90476955	TPSA	0
18384	TPSA	46.5
77530	Hydrogen_Bond_Donor_Count	0
24987	TPSA	38.8
9969573	Structure_Complexity	606
13559474	Isotope_Atom_Count	0
14268486	Total_Formal_Charge	0
89390979	Defined_Atom_Stereo_Count	0
16732312	Undefined_Atom_Stereo_Count	0
6720	TPSA	45.8
65091	Tautomer_Count	3
21929	Total_Formal_Charge	0
11693521	TPSA	172
165339206	Undefined_Atom_Stereo_Count	0
11098017	Total_Formal_Charge	0
136059	Non-hydrogen_Atom_Count	8
75674	Hydrogen_Bond_Donor_Count	0
53885557	Mono_Isotopic_Weight	115.063328530
9909846	TPSA	60.7
97469	XLogP3-AA	0.9
14353870	TPSA	33.4
59185552	Covalent_Unit_Count	1
18000118	Molecular_Weight	101.15
136648	Molecular_Weight	80.13
24705318	Undefined_Atom_Stereo_Count	0
399895	Molecular_Weight	271.31
36781	Non-hydrogen_Atom_Count	14
119033	Defined_Bond_Stereo_Count	0
68993193	Defined_Atom_Stereo_Count	0
20562996	Undefined_Bond_Stereo_Count	0
51432351	Undefined_Atom_Stereo_Count	0
22086	Defined_Atom_Stereo_Count	0
100489	Covalent_Unit_Count	1
47535	Defined_Bond_Stereo_Count	0
111	Undefined_Atom_Stereo_Count	0
45085104	Covalent_Unit_Count	1
441035	Rotatable_Bond_Count	1
62662	Isotope_Atom_Count	0
5121	Isotope_Atom_Count	0
45086609	Undefined_Bond_Stereo_Count	0
118008485	Undefined_Bond_Stereo_Count	0
60196425	Defined_Bond_Stereo_Count	0
5356392	Hydrogen_Bond_Acceptor_Count	16
21492261	Undefined_Bond_Stereo_Count	0
20056743	Defined_Atom_Stereo_Count	0
10221890	TPSA	139
103609	Molecular_Weight	167.25
14643175	Undefined_Atom_Stereo_Count	1
1057	Total_Formal_Charge	0
5392139	Hydrogen_Bond_Donor_Count	1
70819549	Undefined_Atom_Stereo_Count	0
558363	Defined_Bond_Stereo_Count	0
163578456	Exact_Mass	115.063328530
11289	Hydrogen_Bond_Acceptor_Count	3
53477580	Defined_Bond_Stereo_Count	1
90297	XLogP3-AA	2.7
54947	Hydrogen_Bond_Donor_Count	2
15277	Isotope_Atom_Count	0
64617	Undefined_Bond_Stereo_Count	0
11073348	Isotope_Atom_Count	0
93115	XLogP3-AA	12.8
25199798	Exact_Mass	263.034456
66081	Tautomer_Count	1
71583603	Total_Formal_Charge	0
20392	Covalent_Unit_Count	1
65920	Undefined_Bond_Stereo_Count	0
129846869	Isotope_Atom_Count	0
23724556	Isotope_Atom_Count	0
403591	Undefined_Atom_Stereo_Count	0
9856149	Molecular_Weight	238.37
347590	XLogP3	2.4
21357280	XLogP3-AA	1.9
68740500	Rotatable_Bond_Count	3
6437358	Undefined_Atom_Stereo_Count	0
18212	Non-hydrogen_Atom_Count	14
84647715	Mono_Isotopic_Weight	115.063328530
57396625	Total_Formal_Charge	0
88051007	Covalent_Unit_Count	1
13165569	Structure_Complexity	103
71137	Undefined_Bond_Stereo_Count	0
66751253	Defined_Atom_Stereo_Count	0
88888	Hydrogen_Bond_Acceptor_Count	1
24352	Defined_Atom_Stereo_Count	0
545422	Rotatable_Bond_Count	5
14366068	Defined_Bond_Stereo_Count	0
9863043	Undefined_Bond_Stereo_Count	0
3048	Covalent_Unit_Count	1
90355769	Hydrogen_Bond_Donor_Count	1
164073	Isotope_Atom_Count	0
54480591	Undefined_Bond_Stereo_Count	1
125461706	Isotope_Atom_Count	0
23079599	Total_Formal_Charge	0
140552347	Exact_Mass	111.043261792
135512673	Hydrogen_Bond_Acceptor_Count	15
46937020	TPSA	186
90766	Covalent_Unit_Count	1
4619	Defined_Atom_Stereo_Count	0
323701	Total_Formal_Charge	0
25335	Tautomer_Count	1
5184540	Structure_Complexity	114
5523	Exact_Mass	263.188529040
74739	XLogP3-AA	3.5
2801745	Total_Formal_Charge	0
71517697	Covalent_Unit_Count	1
76716	Molecular_Weight	350.4
5030	Exact_Mass	536.39542454
4136	Defined_Bond_Stereo_Count	0
400916	TPSA	29.8
10029385	Structure_Complexity	1030
3939	Structure_Complexity	2
8233	Non-hydrogen_Atom_Count	51
18442594	Structure_Complexity	57.7
735833	Exact_Mass	166.04300762
21864432	Mono_Isotopic_Weight	173.00861288
31343	Hydrogen_Bond_Acceptor_Count	5
165611944	Non-hydrogen_Atom_Count	8
73181638	Total_Formal_Charge	0
3790357	Hydrogen_Bond_Donor_Count	1
15904	Molecular_Weight	155.19
71270	Undefined_Atom_Stereo_Count	2
65576188	Hydrogen_Bond_Acceptor_Count	2
18330928	Defined_Atom_Stereo_Count	0
24840945	Defined_Bond_Stereo_Count	0
4432	Non-hydrogen_Atom_Count	31
34624	Undefined_Atom_Stereo_Count	0
45480632	Undefined_Atom_Stereo_Count	0
67317342	Total_Formal_Charge	0
8554	Exact_Mass	194.05790880
13786729	Exact_Mass	111.068413911
11631662	Rotatable_Bond_Count	5
21793339	Undefined_Bond_Stereo_Count	0
5325263	Hydrogen_Bond_Acceptor_Count	2
19604021	Molecular_Weight	98.15
24875372	Isotope_Atom_Count	0
5489012	Tautomer_Count	2
135409438	Tautomer_Count	9
123783729	Hydrogen_Bond_Acceptor_Count	1
44450793	Isotope_Atom_Count	0
10080510	Total_Formal_Charge	0
24892840	Exact_Mass	446.1472106
24426	Tautomer_Count	1
92965	Non-hydrogen_Atom_Count	19
54706667	Hydrogen_Bond_Acceptor_Count	4
121599	Defined_Atom_Stereo_Count	0
13698	Structure_Complexity	207
44792	Mono_Isotopic_Weight	173.177964357
20821286	Isotope_Atom_Count	0
53323371	Undefined_Bond_Stereo_Count	0
23689390	TPSA	81.6
14523552	Undefined_Atom_Stereo_Count	0
123792	Mono_Isotopic_Weight	680.35336251
74096	Rotatable_Bond_Count	5
42580060	Non-hydrogen_Atom_Count	23
68071	Defined_Bond_Stereo_Count	0
12132667	Molecular_Weight	96.13
13601742	Hydrogen_Bond_Acceptor_Count	2
9708	Covalent_Unit_Count	1
704316	Exact_Mass	331.0182254
41095	XLogP3	3.3
24901210	Mono_Isotopic_Weight	497.1539906
5353897	Defined_Atom_Stereo_Count	0
91942	XLogP3-AA	1.6
14435658	Defined_Bond_Stereo_Count	0
9821383	Exact_Mass	383.20563565
3274	Rotatable_Bond_Count	5
11799	Defined_Bond_Stereo_Count	0
129638019	Molecular_Weight	296.36
13067931	Mono_Isotopic_Weight	106.053098200
40489	Defined_Bond_Stereo_Count	0
82646	Defined_Atom_Stereo_Count	0
15211200	Isotope_Atom_Count	0
51759	Hydrogen_Bond_Acceptor_Count	8
14985552	Undefined_Atom_Stereo_Count	0
11528337	XLogP3-AA	0.7
2734248	Isotope_Atom_Count	0
90916291	Isotope_Atom_Count	0
138961	Hydrogen_Bond_Acceptor_Count	2
20465	Covalent_Unit_Count	1
68873	Defined_Bond_Stereo_Count	0
6099959	Mono_Isotopic_Weight	449.9621801
12488467	Defined_Bond_Stereo_Count	0
20111961	TPSA	38.8
85999939	Defined_Atom_Stereo_Count	0
64107	Structure_Complexity	684
163050684	TPSA	57.2
12889418	Exact_Mass	204.11234441
62827	Mono_Isotopic_Weight	495.3874489
12724397	Structure_Complexity	107
12962	Non-hydrogen_Atom_Count	5
133057415	Defined_Bond_Stereo_Count	0
20326	Rotatable_Bond_Count	6
71697	Rotatable_Bond_Count	5
179	Rotatable_Bond_Count	1
26058	Hydrogen_Bond_Acceptor_Count	0
59059041	Defined_Bond_Stereo_Count	0
3614	Non-hydrogen_Atom_Count	9
30987	Defined_Atom_Stereo_Count	0
23205	Exact_Mass	262.12050905
332226	Hydrogen_Bond_Acceptor_Count	3
76224463	Rotatable_Bond_Count	1
17954	Covalent_Unit_Count	1
20591	Hydrogen_Bond_Acceptor_Count	3
12052005	Isotope_Atom_Count	0
641245	Undefined_Bond_Stereo_Count	0
203443	Total_Formal_Charge	0
11463807	Defined_Bond_Stereo_Count	0
49968	Total_Formal_Charge	0
8026	Total_Formal_Charge	0
139059144	XLogP3-AA	1.2
68842	Tautomer_Count	4
12300006	Structure_Complexity	1140
18387331	Mono_Isotopic_Weight	99.104799419
51585	Molecular_Weight	224.32
41506	Tautomer_Count	1
101576	XLogP3-AA	3.1
104677	Mono_Isotopic_Weight	195.01024758
11869222	Defined_Bond_Stereo_Count	0
123645524	Mono_Isotopic_Weight	1201.84136802
54074602	XLogP3-AA	1.4
8301	Covalent_Unit_Count	1
14906718	Hydrogen_Bond_Donor_Count	2
49750	TPSA	41.6
163698895	Molecular_Weight	114.15
244	Structure_Complexity	55.4
129812487	Structure_Complexity	83.6
35676	Hydrogen_Bond_Donor_Count	2
694981	Tautomer_Count	2
5362620	Isotope_Atom_Count	0
3000668	Undefined_Atom_Stereo_Count	1
1335	Tautomer_Count	1
968625	Exact_Mass	330.10381361
19662	Isotope_Atom_Count	0
16682935	Rotatable_Bond_Count	0
199677	Non-hydrogen_Atom_Count	8
82479	Non-hydrogen_Atom_Count	14
67413	TPSA	284
838868	Mono_Isotopic_Weight	187.063328530
5101	Defined_Atom_Stereo_Count	0
72142	Isotope_Atom_Count	0
77548	XLogP3	2.6
5230	Hydrogen_Bond_Donor_Count	2
11564168	Defined_Bond_Stereo_Count	0
15981292	Hydrogen_Bond_Donor_Count	2
5280933	Mono_Isotopic_Weight	278.224580195
46238536	XLogP3-AA	4.2
82050	Non-hydrogen_Atom_Count	2
67454	TPSA	0
71402	Defined_Bond_Stereo_Count	0
165704207	Rotatable_Bond_Count	0
158389	Undefined_Bond_Stereo_Count	0
537055	XLogP3-AA	14.3
98626	Hydrogen_Bond_Donor_Count	1
139063576	Hydrogen_Bond_Acceptor_Count	4
17231	Total_Formal_Charge	0
93702	Hydrogen_Bond_Acceptor_Count	16
6497	Covalent_Unit_Count	1
11558904	Structure_Complexity	465
746471	Isotope_Atom_Count	0
62580	Covalent_Unit_Count	1
133611945	Exact_Mass	612.07668989
99868	Covalent_Unit_Count	1
71713793	Rotatable_Bond_Count	3
70693142	Molecular_Weight	292.33
57190813	Isotope_Atom_Count	0
52948843	Non-hydrogen_Atom_Count	25
13452165	Isotope_Atom_Count	0
46244259	Defined_Bond_Stereo_Count	0
25102937	Hydrogen_Bond_Acceptor_Count	12
1266	Undefined_Atom_Stereo_Count	1
10909503	Structure_Complexity	57.2
566597	Rotatable_Bond_Count	0
5707	Tautomer_Count	8
97754	Hydrogen_Bond_Acceptor_Count	2
439583	TPSA	110
573117	Structure_Complexity	94.4
5484735	Non-hydrogen_Atom_Count	34
47319	XLogP3-AA	7.9
2691	XLogP3-AA	0.5
136920818	Hydrogen_Bond_Acceptor_Count	3
398631	Undefined_Atom_Stereo_Count	0
199229	Undefined_Atom_Stereo_Count	2
12651160	Defined_Bond_Stereo_Count	0
20669981	Exact_Mass	112.100048391
927764	TPSA	73.5
14880677	Undefined_Atom_Stereo_Count	0
4659392	Rotatable_Bond_Count	8
30137	Undefined_Bond_Stereo_Count	0
141365	Hydrogen_Bond_Donor_Count	1
71853	Mono_Isotopic_Weight	1525.6353145
133920	Hydrogen_Bond_Acceptor_Count	11
87595695	Non-hydrogen_Atom_Count	7
465818	Isotope_Atom_Count	0
5280608	Total_Formal_Charge	0
14074	Exact_Mass	87.068413911
135418296	Tautomer_Count	5
6474640	Isotope_Atom_Count	0
81426	Exact_Mass	166.06636548
516871	Hydrogen_Bond_Acceptor_Count	2
153067665	Non-hydrogen_Atom_Count	8
12978170	Molecular_Weight	96.17
68210102	Defined_Bond_Stereo_Count	0
1810	Structure_Complexity	386
49862460	Isotope_Atom_Count	0
22772	Tautomer_Count	1
27775	Covalent_Unit_Count	1
3601	Undefined_Atom_Stereo_Count	0
2723722	Exact_Mass	358.25079494
10470475	Undefined_Atom_Stereo_Count	0
284024	Undefined_Atom_Stereo_Count	1
44310710	Hydrogen_Bond_Donor_Count	0
51003564	Undefined_Atom_Stereo_Count	0
139833631	Undefined_Bond_Stereo_Count	0
14502976	Defined_Bond_Stereo_Count	0
11374	Mono_Isotopic_Weight	145.052763847
12676503	Rotatable_Bond_Count	1
9375	Hydrogen_Bond_Donor_Count	2
56675695	Structure_Complexity	556
734373	TPSA	96.2
71300725	Hydrogen_Bond_Acceptor_Count	48
15271	Non-hydrogen_Atom_Count	9
62485	Defined_Bond_Stereo_Count	0
17336	Mono_Isotopic_Weight	226.09535693
72999858	Non-hydrogen_Atom_Count	33
53232849	TPSA	21.6
10560335	Undefined_Atom_Stereo_Count	0
18936148	Isotope_Atom_Count	0
82153	Undefined_Bond_Stereo_Count	0
790	Defined_Bond_Stereo_Count	0
20111	XLogP3	2
45052197	Hydrogen_Bond_Acceptor_Count	0
5323984	Structure_Complexity	118
13207	Mono_Isotopic_Weight	126.104465066
16051495	Rotatable_Bond_Count	5
9841075	Isotope_Atom_Count	0
13311642	Total_Formal_Charge	0
88578918	Molecular_Weight	101.15
11338033	Structure_Complexity	479
52654	Hydrogen_Bond_Donor_Count	0
5284472	Molecular_Weight	332.9
132274080	Undefined_Atom_Stereo_Count	10
305	Defined_Atom_Stereo_Count	0
443037	Covalent_Unit_Count	1
3003004	XLogP3-AA	3.7
39507	Tautomer_Count	6
498158	Covalent_Unit_Count	1
11972	Defined_Atom_Stereo_Count	0
19430196	Hydrogen_Bond_Donor_Count	0
49865922	Non-hydrogen_Atom_Count	26
10857507	Non-hydrogen_Atom_Count	16
258618	TPSA	17.1
3466040	Defined_Bond_Stereo_Count	0
31204	Covalent_Unit_Count	2
118360945	XLogP3-AA	1.2
23684677	Isotope_Atom_Count	0
115000	TPSA	61.9
4355	Isotope_Atom_Count	0
9794159	TPSA	114
11459006	Undefined_Atom_Stereo_Count	0
63944	XLogP3-AA	7.3
15715874	Hydrogen_Bond_Donor_Count	1
156591873	Undefined_Atom_Stereo_Count	6
151173	Total_Formal_Charge	0
126843179	Defined_Bond_Stereo_Count	2
4151	Mono_Isotopic_Weight	318.06742811
21490219	Rotatable_Bond_Count	1
402	TPSA	1
9236	Defined_Atom_Stereo_Count	0
4043	Isotope_Atom_Count	0
72670730	Structure_Complexity	822
22594079	Hydrogen_Bond_Acceptor_Count	3
7848	Defined_Bond_Stereo_Count	0
71709	Defined_Atom_Stereo_Count	0
9809002	Molecular_Weight	608.6
5353843	Undefined_Bond_Stereo_Count	0
5289373	Mono_Isotopic_Weight	430.23553880
346926	Defined_Bond_Stereo_Count	0
129738033	Defined_Bond_Stereo_Count	0
89061875	Structure_Complexity	103
57403867	Undefined_Bond_Stereo_Count	0
6918405	Rotatable_Bond_Count	9
140945	Hydrogen_Bond_Donor_Count	0
4527	Undefined_Atom_Stereo_Count	4
2229	Tautomer_Count	1
4510	Undefined_Atom_Stereo_Count	0
9547150	Non-hydrogen_Atom_Count	64
5951	Covalent_Unit_Count	1
62219	Undefined_Atom_Stereo_Count	0
3340152	Rotatable_Bond_Count	1
100094	Total_Formal_Charge	0
14626857	Mono_Isotopic_Weight	559.21409234
16021	Isotope_Atom_Count	0
171092	Molecular_Weight	264.4
13348002	Covalent_Unit_Count	1
9927	Isotope_Atom_Count	0
40470	Hydrogen_Bond_Donor_Count	0
49830590	Rotatable_Bond_Count	6
638026	Rotatable_Bond_Count	4
10129911	Rotatable_Bond_Count	3
10473088	TPSA	98
9536	Undefined_Atom_Stereo_Count	0
42808	Rotatable_Bond_Count	1
4557	TPSA	40.5
44126083	XLogP3-AA	3.2
76134	Total_Formal_Charge	0
5003	Molecular_Weight	541.5
141225356	Defined_Bond_Stereo_Count	1
153254665	TPSA	3
81120	Undefined_Bond_Stereo_Count	0
139149	Covalent_Unit_Count	1
45190	Hydrogen_Bond_Acceptor_Count	4
66112	Hydrogen_Bond_Donor_Count	0
2754342	Rotatable_Bond_Count	7
62943	Exact_Mass	187.0763918
1031	Molecular_Weight	60.10
15337	Undefined_Bond_Stereo_Count	0
4630913	Defined_Bond_Stereo_Count	0
5116	Molecular_Weight	333.2
9547713	Total_Formal_Charge	0
79693	Undefined_Bond_Stereo_Count	0
71382907	Hydrogen_Bond_Donor_Count	1
3045407	Non-hydrogen_Atom_Count	42
445318	Molecular_Weight	292.37
50367	Defined_Atom_Stereo_Count	0
119606	Rotatable_Bond_Count	5
38910	TPSA	0
638793	Mono_Isotopic_Weight	1181.57302551
12285890	Exact_Mass	181.06674293
57370827	Total_Formal_Charge	0
23705	Defined_Atom_Stereo_Count	0
11908488	Molecular_Weight	342.30
24807614	Defined_Bond_Stereo_Count	9
7493	Rotatable_Bond_Count	2
21675633	Mono_Isotopic_Weight	114.104465066
12036651	Undefined_Atom_Stereo_Count	0
65955	Mono_Isotopic_Weight	140.058577502
5320868	Mono_Isotopic_Weight	324.183778013
67303	Non-hydrogen_Atom_Count	16
39764	Hydrogen_Bond_Donor_Count	0
10701796	Rotatable_Bond_Count	1
9571044	Hydrogen_Bond_Donor_Count	1
3700118	XLogP3-AA	2.2
160458	Exact_Mass	128.02735756
550925	Defined_Atom_Stereo_Count	0
91986	Defined_Bond_Stereo_Count	0
152257	Hydrogen_Bond_Donor_Count	1
58323974	XLogP3-AA	3.1
62517	Mono_Isotopic_Weight	576.156552
25271781	Rotatable_Bond_Count	4
7375	Defined_Bond_Stereo_Count	0
10082421	Rotatable_Bond_Count	7
137698364	Defined_Bond_Stereo_Count	2
70687998	Rotatable_Bond_Count	4
86873	Defined_Bond_Stereo_Count	0
12203051	Exact_Mass	195.94975
18758985	Molecular_Weight	99.09
5311010	TPSA	416
5362	Total_Formal_Charge	0
155903721	Mono_Isotopic_Weight	1347.582715
101	Isotope_Atom_Count	0
21750168	Exact_Mass	128.047344113
168076	Rotatable_Bond_Count	2
556306	Non-hydrogen_Atom_Count	8
3310	TPSA	161
24116	Total_Formal_Charge	0
9984374	Structure_Complexity	1010
46866319	Rotatable_Bond_Count	6
69462477	Defined_Atom_Stereo_Count	0
4599	Undefined_Bond_Stereo_Count	0
87646	Defined_Bond_Stereo_Count	0
24611	Hydrogen_Bond_Acceptor_Count	0
75081	Hydrogen_Bond_Donor_Count	0
506015	Molecular_Weight	375.4
67066652	Molecular_Weight	116.11
142901	Hydrogen_Bond_Donor_Count	0
54695720	TPSA	214
21617086	Exact_Mass	113.047678466
9844557	XLogP3-AA	6.5
11571792	Hydrogen_Bond_Donor_Count	1
44148067	Hydrogen_Bond_Donor_Count	3
193994	TPSA	33.6
10017963	Structure_Complexity	481
1179	Molecular_Weight	836.8
53785673	Undefined_Atom_Stereo_Count	0
11423563	Isotope_Atom_Count	0
543069	Defined_Bond_Stereo_Count	0
75834	Covalent_Unit_Count	1
9085	Undefined_Atom_Stereo_Count	0
8663	XLogP3	2.7
121249	Covalent_Unit_Count	1
4825	Undefined_Atom_Stereo_Count	0
61185	Undefined_Atom_Stereo_Count	0
57590	Exact_Mass	650.7761
55185	Hydrogen_Bond_Acceptor_Count	14
6815	Defined_Bond_Stereo_Count	0
71221	XLogP3-AA	2.2
5462928	TPSA	0
9821849	Defined_Atom_Stereo_Count	6
13362585	Covalent_Unit_Count	1
57641	Hydrogen_Bond_Acceptor_Count	3
235414	Undefined_Bond_Stereo_Count	0
4196	Covalent_Unit_Count	1
9800285	Defined_Atom_Stereo_Count	1
19349372	Hydrogen_Bond_Acceptor_Count	1
11474	Rotatable_Bond_Count	1
15016062	Hydrogen_Bond_Donor_Count	1
137347967	Covalent_Unit_Count	1
123783729	Isotope_Atom_Count	0
529331	Covalent_Unit_Count	1
39042	Non-hydrogen_Atom_Count	25
20096805	Mono_Isotopic_Weight	101.047678466
60155458	Hydrogen_Bond_Acceptor_Count	9
26197	Undefined_Bond_Stereo_Count	0
129885959	Covalent_Unit_Count	1
130881	Molecular_Weight	558.6
57392964	Rotatable_Bond_Count	6
84421	Covalent_Unit_Count	1
16129685	Tautomer_Count	1000
10345790	Molecular_Weight	498.3
55278707	Covalent_Unit_Count	1
9846339	Undefined_Atom_Stereo_Count	0
3954	Non-hydrogen_Atom_Count	34
98527	Hydrogen_Bond_Donor_Count	1
85979179	Exact_Mass	83.037113783
6852147	Hydrogen_Bond_Acceptor_Count	7
6363	Covalent_Unit_Count	1
20149888	Undefined_Atom_Stereo_Count	0
72862	Covalent_Unit_Count	1
692450	Covalent_Unit_Count	1
721137	Rotatable_Bond_Count	5
54350955	Non-hydrogen_Atom_Count	8
643209	Undefined_Atom_Stereo_Count	0
53470	Isotope_Atom_Count	0
151171	Hydrogen_Bond_Acceptor_Count	3
76217	Mono_Isotopic_Weight	82.041864811
17898	Undefined_Atom_Stereo_Count	0
10920474	Hydrogen_Bond_Donor_Count	1
6887	Isotope_Atom_Count	0
23618458	Undefined_Atom_Stereo_Count	0
555949	Undefined_Atom_Stereo_Count	2
10898645	Undefined_Bond_Stereo_Count	0
66579015	Total_Formal_Charge	0
9862	Mono_Isotopic_Weight	126.104465066
91713	Covalent_Unit_Count	1
8042	Hydrogen_Bond_Acceptor_Count	2
641240	Total_Formal_Charge	0
6137	Isotope_Atom_Count	0
44571022	Defined_Atom_Stereo_Count	0
107275	Undefined_Atom_Stereo_Count	2
62708	Undefined_Bond_Stereo_Count	0
21115778	Isotope_Atom_Count	0
24758982	Undefined_Bond_Stereo_Count	0
239041	Isotope_Atom_Count	0
230710	Covalent_Unit_Count	1
77737505	Hydrogen_Bond_Acceptor_Count	1
357772	Rotatable_Bond_Count	5
995634	Hydrogen_Bond_Donor_Count	1
64184	Non-hydrogen_Atom_Count	12
87642220	Defined_Atom_Stereo_Count	10
122449120	Molecular_Weight	100.12
70383887	Defined_Atom_Stereo_Count	0
74070	Total_Formal_Charge	0
54378536	Undefined_Atom_Stereo_Count	0
14803	Structure_Complexity	4
71141	TPSA	279
38282	Rotatable_Bond_Count	1
54592009	Undefined_Bond_Stereo_Count	0
3187	Mono_Isotopic_Weight	359.21686904
16219784	Isotope_Atom_Count	0
132850502	Hydrogen_Bond_Donor_Count	2
90486	Hydrogen_Bond_Donor_Count	0
74506	Structure_Complexity	235
6269	Hydrogen_Bond_Donor_Count	1
45120310	Total_Formal_Charge	0
9818540	TPSA	45.3
76830	Tautomer_Count	1
3322	Non-hydrogen_Atom_Count	18
119033	Undefined_Atom_Stereo_Count	0
78739	Hydrogen_Bond_Donor_Count	0
10727124	Total_Formal_Charge	0
10881	Mono_Isotopic_Weight	106.041864811
3718	Defined_Bond_Stereo_Count	0
153308419	Rotatable_Bond_Count	3
67296898	Mono_Isotopic_Weight	114.068079557
22378	Covalent_Unit_Count	2
417349	Non-hydrogen_Atom_Count	18
550030	Non-hydrogen_Atom_Count	10
99027	Structure_Complexity	43.3
27879	Exact_Mass	303.14705815
78293	Defined_Atom_Stereo_Count	0
19041912	Mono_Isotopic_Weight	113.047678466
34127	Mono_Isotopic_Weight	513.99936503
71752170	Undefined_Atom_Stereo_Count	0
14741640	Defined_Bond_Stereo_Count	0
111	Exact_Mass	132.05349212
15765799	TPSA	34.1
65905	Structure_Complexity	333
67420384	Mono_Isotopic_Weight	110.048012819
55289472	Defined_Bond_Stereo_Count	0
58561829	Total_Formal_Charge	0
11953931	Undefined_Bond_Stereo_Count	0
69262871	Covalent_Unit_Count	1
61235	Molecular_Weight	142.24
656902	Exact_Mass	317.05692299
15817734	Defined_Bond_Stereo_Count	0
7303	XLogP3-AA	0.3
5281099	Defined_Atom_Stereo_Count	13
5282164	Hydrogen_Bond_Donor_Count	1
39212	Tautomer_Count	4
5113487	Defined_Atom_Stereo_Count	0
5016	Rotatable_Bond_Count	3
22720	Exact_Mass	103.099714038
134688669	Hydrogen_Bond_Donor_Count	2
82441	Hydrogen_Bond_Acceptor_Count	12
9904	Non-hydrogen_Atom_Count	20
9838022	Exact_Mass	221.177964357
62371	Non-hydrogen_Atom_Count	19
5281605	Rotatable_Bond_Count	1
89306	Exact_Mass	210.161979940
8713	Total_Formal_Charge	0
55899	Mono_Isotopic_Weight	141.090211983
136647975	Undefined_Bond_Stereo_Count	0
19736307	Non-hydrogen_Atom_Count	38
6688	Undefined_Bond_Stereo_Count	0
23675947	Non-hydrogen_Atom_Count	25
21930812	Undefined_Bond_Stereo_Count	0
3961	Defined_Atom_Stereo_Count	0
129873330	Covalent_Unit_Count	1
123630180	Exact_Mass	108.093900383
60196346	Molecular_Weight	432.5
90806020	Undefined_Bond_Stereo_Count	0
443404	Molecular_Weight	231.33
3054	Rotatable_Bond_Count	4
5384293	Defined_Atom_Stereo_Count	0
7642	Exact_Mass	412.35526001
44119602	Molecular_Weight	108.10
92339	Exact_Mass	237.9952203
1564	Defined_Bond_Stereo_Count	0
52161	Exact_Mass	71.073499291
21057641	Hydrogen_Bond_Donor_Count	4
125461340	TPSA	231
774262	Mono_Isotopic_Weight	267.06439116
8082	Tautomer_Count	1
23681141	Defined_Bond_Stereo_Count	0
98218	Undefined_Bond_Stereo_Count	0
55399	Molecular_Weight	622.8
57392965	Covalent_Unit_Count	1
70916	Rotatable_Bond_Count	8
90996709	Hydrogen_Bond_Acceptor_Count	1
17244514	Structure_Complexity	57.7
138673	Rotatable_Bond_Count	3
310	Structure_Complexity	168
7240495	Defined_Bond_Stereo_Count	1
58082088	Mono_Isotopic_Weight	116.083729621
10107	Hydrogen_Bond_Acceptor_Count	4
3085129	Non-hydrogen_Atom_Count	29
68066	Structure_Complexity	564
763185	Defined_Atom_Stereo_Count	0
236745	Molecular_Weight	269.72
46783795	Defined_Atom_Stereo_Count	8
653473	Total_Formal_Charge	0
4048	Total_Formal_Charge	0
14012376	Covalent_Unit_Count	1
13242839	Total_Formal_Charge	0
86278347	Structure_Complexity	535
6041	Undefined_Atom_Stereo_Count	0
24705318	Hydrogen_Bond_Acceptor_Count	2
60464	Covalent_Unit_Count	1
4832	Undefined_Atom_Stereo_Count	2
104902	Defined_Atom_Stereo_Count	6
3011734	Rotatable_Bond_Count	12
8365	Hydrogen_Bond_Acceptor_Count	3
141689	Rotatable_Bond_Count	0
5318591	Molecular_Weight	418.4
69957602	Defined_Bond_Stereo_Count	0
164330	Covalent_Unit_Count	9
129681809	Defined_Atom_Stereo_Count	0
158800	Exact_Mass	785.45615581
79998	Defined_Atom_Stereo_Count	0
11521169	Rotatable_Bond_Count	1
825229	Isotope_Atom_Count	0
88859271	Rotatable_Bond_Count	3
16070111	Covalent_Unit_Count	1
58291777	Rotatable_Bond_Count	2
95093	Undefined_Bond_Stereo_Count	0
5284543	Defined_Atom_Stereo_Count	5
66489873	Undefined_Bond_Stereo_Count	0
27124	Non-hydrogen_Atom_Count	24
444000	Molecular_Weight	564.3
15626755	Molecular_Weight	112.13
464	Mono_Isotopic_Weight	179.058243149
4255	Covalent_Unit_Count	1
23165199	Defined_Bond_Stereo_Count	0
5311092	Covalent_Unit_Count	1
77097	Rotatable_Bond_Count	4
3694570	Defined_Atom_Stereo_Count	0
14012	Molecular_Weight	229.13
58093	Hydrogen_Bond_Donor_Count	1
134689013	Hydrogen_Bond_Acceptor_Count	3
9596	Undefined_Atom_Stereo_Count	0
65238	Defined_Bond_Stereo_Count	0
129983893	Mono_Isotopic_Weight	110.048012819
449593	Exact_Mass	118.086803626
70690636	Non-hydrogen_Atom_Count	29
98876	TPSA	127
17895808	XLogP3-AA	0.3
53775252	Covalent_Unit_Count	1
3025961	Defined_Atom_Stereo_Count	0
4831	Defined_Atom_Stereo_Count	0
1179	Structure_Complexity	1630
521714	Molecular_Weight	112.17
96462	Rotatable_Bond_Count	9
77524	XLogP3-AA	1.2
26035	XLogP3	4.3
445858	Molecular_Weight	194.18
34875	Total_Formal_Charge	0
6918013	Non-hydrogen_Atom_Count	52
220175	Hydrogen_Bond_Acceptor_Count	4
5479539	Rotatable_Bond_Count	6
6337677	Hydrogen_Bond_Donor_Count	3
65063	Mono_Isotopic_Weight	308.04095237
3032732	Rotatable_Bond_Count	9
73148	Non-hydrogen_Atom_Count	77
9865375	Total_Formal_Charge	0
16131923	Undefined_Bond_Stereo_Count	0
141466486	Molecular_Weight	98.10
12877	Hydrogen_Bond_Acceptor_Count	0
5464924	Exact_Mass	564.03287581
514067	TPSA	43.4
5948958	Rotatable_Bond_Count	2
10892	Hydrogen_Bond_Acceptor_Count	2
62706	Hydrogen_Bond_Donor_Count	0
84693	Defined_Atom_Stereo_Count	0
22020874	Hydrogen_Bond_Donor_Count	0
22506613	Defined_Bond_Stereo_Count	0
132420	TPSA	70
47528	Covalent_Unit_Count	1
68873	Undefined_Atom_Stereo_Count	0
90473211	Defined_Atom_Stereo_Count	6
56658436	Non-hydrogen_Atom_Count	25
1470	Undefined_Bond_Stereo_Count	0
9862272	Non-hydrogen_Atom_Count	23
71210615	Covalent_Unit_Count	1
10081060	Mono_Isotopic_Weight	183.07390984
69952	XLogP3-AA	1.5
9090	TPSA	50.6
65706	Hydrogen_Bond_Donor_Count	1
198016	Isotope_Atom_Count	0
10942371	Hydrogen_Bond_Acceptor_Count	2
8350	Covalent_Unit_Count	1
136219153	Molecular_Weight	394.9
6454351	Tautomer_Count	1
12150354	Defined_Atom_Stereo_Count	0
139061453	Isotope_Atom_Count	0
9908880	Exact_Mass	399.16191458
132471895	Molecular_Weight	210.21
66673773	TPSA	41.5
12302694	Hydrogen_Bond_Donor_Count	8
116706	Rotatable_Bond_Count	11
303	Non-hydrogen_Atom_Count	29
3776755	Rotatable_Bond_Count	0
361739	TPSA	34.1
2735045	Hydrogen_Bond_Donor_Count	0
65663	Covalent_Unit_Count	1
57228285	TPSA	65.2
89785	Hydrogen_Bond_Donor_Count	2
45857	Rotatable_Bond_Count	3
7003	Covalent_Unit_Count	1
186148	Undefined_Atom_Stereo_Count	0
5284527	Defined_Atom_Stereo_Count	3
11163584	Undefined_Atom_Stereo_Count	1
27891	Structure_Complexity	272
59516092	Hydrogen_Bond_Donor_Count	2
7528	Hydrogen_Bond_Donor_Count	1
505	TPSA	213
3889	Structure_Complexity	958
4365	Mono_Isotopic_Weight	324.11437830
51029964	Isotope_Atom_Count	0
5054	Defined_Bond_Stereo_Count	0
80472	Undefined_Atom_Stereo_Count	0
984396	Defined_Bond_Stereo_Count	0
45358438	Defined_Bond_Stereo_Count	1
9830	Mono_Isotopic_Weight	223.0011760
8722	TPSA	72.7
77999	Non-hydrogen_Atom_Count	25
9883915	Isotope_Atom_Count	0
7774	Covalent_Unit_Count	1
12054557	Total_Formal_Charge	0
20519089	Rotatable_Bond_Count	16
25271787	XLogP3-AA	0.3
446986	Structure_Complexity	1440
95431	Covalent_Unit_Count	1
97389	Hydrogen_Bond_Acceptor_Count	3
17963227	Hydrogen_Bond_Acceptor_Count	5
17736	Undefined_Atom_Stereo_Count	0
12705073	Structure_Complexity	116
155804760	Covalent_Unit_Count	1
327044	Defined_Bond_Stereo_Count	0
53465	Defined_Bond_Stereo_Count	0
24623	Tautomer_Count	1
24906273	Hydrogen_Bond_Acceptor_Count	5
5587	Undefined_Atom_Stereo_Count	0
11137142	Exact_Mass	117.0009064
73200935	TPSA	0
11899	Hydrogen_Bond_Acceptor_Count	2
4154719	Hydrogen_Bond_Donor_Count	1
6451464	Covalent_Unit_Count	1
6435507	Isotope_Atom_Count	0
140250071	Total_Formal_Charge	0
12507028	XLogP3-AA	1.4
16760595	Undefined_Bond_Stereo_Count	0
28060	Isotope_Atom_Count	0
9087	Total_Formal_Charge	0
7385	Undefined_Bond_Stereo_Count	0
10148984	Undefined_Bond_Stereo_Count	0
11147714	Undefined_Atom_Stereo_Count	0
141282199	Covalent_Unit_Count	1
6713988	Hydrogen_Bond_Donor_Count	4
627923	Molecular_Weight	307.35
40703	Undefined_Bond_Stereo_Count	0
735091	Defined_Atom_Stereo_Count	0
53973376	TPSA	44
135396228	Hydrogen_Bond_Acceptor_Count	3
13727	Molecular_Weight	279.8
9962911	Mono_Isotopic_Weight	908.38775915
643981	Defined_Bond_Stereo_Count	0
92337	Defined_Bond_Stereo_Count	0
79059	TPSA	42.5
971337	Exact_Mass	337.0869564
33191	Hydrogen_Bond_Acceptor_Count	1
78683	Molecular_Weight	116.20
7746	Covalent_Unit_Count	1
31390	Rotatable_Bond_Count	3
135410702	Hydrogen_Bond_Acceptor_Count	10
88553883	Undefined_Bond_Stereo_Count	0
53974092	Defined_Bond_Stereo_Count	0
19587	Tautomer_Count	2
20514195	Exact_Mass	103.063328530
671755	Hydrogen_Bond_Donor_Count	1
136190013	Molecular_Weight	334.17
95616	Defined_Bond_Stereo_Count	0
10377	Exact_Mass	180.115029749
439867	Molecular_Weight	342.30
12757	Isotope_Atom_Count	0
4603	XLogP3-AA	1.1
3640	Hydrogen_Bond_Donor_Count	3
12536731	TPSA	9.2
545809	Hydrogen_Bond_Donor_Count	1
38089	Non-hydrogen_Atom_Count	21
23725051	Isotope_Atom_Count	0
6432115	Defined_Atom_Stereo_Count	0
3465817	Rotatable_Bond_Count	3
574489	Defined_Atom_Stereo_Count	0
23519621	Undefined_Bond_Stereo_Count	0
13653621	Undefined_Atom_Stereo_Count	2
1548898	Rotatable_Bond_Count	1
432760	Defined_Bond_Stereo_Count	0
86160	Mono_Isotopic_Weight	297.266779359
73742	Defined_Atom_Stereo_Count	0
66645351	Undefined_Bond_Stereo_Count	0
24871329	Covalent_Unit_Count	10
28397	Structure_Complexity	311
6444834	Isotope_Atom_Count	0
3078	Covalent_Unit_Count	1
75810	Defined_Atom_Stereo_Count	0
118052396	Total_Formal_Charge	0
78148	Non-hydrogen_Atom_Count	6
158800	Defined_Bond_Stereo_Count	0
25235992	Undefined_Atom_Stereo_Count	1
12562238	Defined_Bond_Stereo_Count	0
138378	Defined_Bond_Stereo_Count	0
123558404	Structure_Complexity	88.1
426756	Molecular_Weight	371.25
25070195	Covalent_Unit_Count	1
76592	Undefined_Bond_Stereo_Count	0
57473011	XLogP3-AA	3.4
520381	Undefined_Atom_Stereo_Count	6
72157	Exact_Mass	266.07251349
688323	TPSA	41.1
62485	Undefined_Atom_Stereo_Count	0
42552739	Defined_Atom_Stereo_Count	10
67522784	Total_Formal_Charge	0
3268	Non-hydrogen_Atom_Count	33
2679179	Molecular_Weight	251.3
12226	Hydrogen_Bond_Acceptor_Count	1
85571413	Rotatable_Bond_Count	0
68783	Defined_Atom_Stereo_Count	6
6274	Total_Formal_Charge	0
13611195	Mono_Isotopic_Weight	108.093900383
79772	Undefined_Atom_Stereo_Count	0
20116902	Undefined_Atom_Stereo_Count	2
5603	Molecular_Weight	115.22
9889867	XLogP3-AA	2.6
11271730	TPSA	6.2
12302694	Non-hydrogen_Atom_Count	23
23978	Mono_Isotopic_Weight	62.929597
138891	Structure_Complexity	70.1
135402034	Exact_Mass	283.09166853
16224745	Hydrogen_Bond_Donor_Count	2
10334852	Rotatable_Bond_Count	6
44588235	Undefined_Atom_Stereo_Count	0
12882458	Hydrogen_Bond_Acceptor_Count	1
15739357	Structure_Complexity	206
131954767	Total_Formal_Charge	1
12534276	Defined_Bond_Stereo_Count	0
283654	Structure_Complexity	496
17754220	Undefined_Atom_Stereo_Count	0
72551585	Defined_Bond_Stereo_Count	0
134976	Hydrogen_Bond_Acceptor_Count	4
11198850	Exact_Mass	348.115029749
137268	Exact_Mass	103.042199164
85296	Rotatable_Bond_Count	4
96238	Exact_Mass	124.088815002
536643	Covalent_Unit_Count	1
673473	Mono_Isotopic_Weight	303.14705815
166560	Rotatable_Bond_Count	0
11126230	Defined_Atom_Stereo_Count	0
6137	Non-hydrogen_Atom_Count	9
1277665	Structure_Complexity	96.3
9844194	Isotope_Atom_Count	0
2111	Defined_Bond_Stereo_Count	0
16732454	Isotope_Atom_Count	0
24266	Undefined_Atom_Stereo_Count	0
5321950	XLogP3-AA	0.9
278150	Structure_Complexity	98.7
59154995	Hydrogen_Bond_Acceptor_Count	2
637584	Defined_Bond_Stereo_Count	0
91400094	Rotatable_Bond_Count	6
13518101	Hydrogen_Bond_Acceptor_Count	6
62907	Hydrogen_Bond_Donor_Count	1
139081225	Covalent_Unit_Count	1
21872002	Undefined_Atom_Stereo_Count	0
24424	Undefined_Atom_Stereo_Count	0
259329	Total_Formal_Charge	0
5535	TPSA	378
6713312	Hydrogen_Bond_Acceptor_Count	3
10255482	Undefined_Atom_Stereo_Count	0
91486118	Exact_Mass	113.058911855
8437	Tautomer_Count	1
955	Tautomer_Count	2
17747460	Molecular_Weight	641.3
59771	Hydrogen_Bond_Acceptor_Count	4
42095	Molecular_Weight	174.20
71457269	Molecular_Weight	512.0
53708136	Defined_Atom_Stereo_Count	0
6951123	Covalent_Unit_Count	1
28499	Rotatable_Bond_Count	8
156588466	Exact_Mass	709.012063
94280	Defined_Bond_Stereo_Count	0
46204458	Total_Formal_Charge	0
11093	TPSA	0
3104	TPSA	270
40807	Mono_Isotopic_Weight	428.04604121
89738	Exact_Mass	102.042927438
165363121	XLogP3-AA	3.2
6917941	Hydrogen_Bond_Acceptor_Count	3
90488724	Mono_Isotopic_Weight	1671.90967533
10534635	Undefined_Bond_Stereo_Count	0
172717	Rotatable_Bond_Count	3
46195832	XLogP3	0.4
135005	Tautomer_Count	1
77160509	Exact_Mass	85.089149355
129662986	Isotope_Atom_Count	0
11637	Tautomer_Count	1
5311167	Defined_Bond_Stereo_Count	0
10162742	Hydrogen_Bond_Donor_Count	2
715567	TPSA	69
9581	TPSA	32.3
158698	Hydrogen_Bond_Donor_Count	1
21014990	Defined_Atom_Stereo_Count	0
20056625	Isotope_Atom_Count	0
5003096	Exact_Mass	157.01974964
53477778	Structure_Complexity	847
139591683	Undefined_Bond_Stereo_Count	0
5216	Total_Formal_Charge	0
153932472	XLogP3-AA	1.2
10434	Molecular_Weight	112.13
1820	Mono_Isotopic_Weight	179.03825660
3047787	Non-hydrogen_Atom_Count	25
2750	Mono_Isotopic_Weight	333.13986477
8432	Structure_Complexity	160
522325	Isotope_Atom_Count	0
156651923	TPSA	21.8
69396	Mono_Isotopic_Weight	117.078978594
21817602	Isotope_Atom_Count	0
65719	Total_Formal_Charge	0
136965670	Structure_Complexity	1130
71248	Defined_Atom_Stereo_Count	0
320459	Undefined_Bond_Stereo_Count	1
3014096	Exact_Mass	139.01953253
3345	Structure_Complexity	391
16202184	TPSA	99.4
15900	Defined_Bond_Stereo_Count	0
16036788	TPSA	107
8467	Undefined_Atom_Stereo_Count	0
134758781	Hydrogen_Bond_Donor_Count	6
23378249	TPSA	47.9
36821	Hydrogen_Bond_Donor_Count	0
89103941	Undefined_Atom_Stereo_Count	2
71895	Hydrogen_Bond_Acceptor_Count	3
137701808	Covalent_Unit_Count	1
60207729	Mono_Isotopic_Weight	113.022526347
129010082	Molecular_Weight	905.0
7029	Defined_Atom_Stereo_Count	0
119	Isotope_Atom_Count	0
122174048	Defined_Atom_Stereo_Count	0
3732019	Undefined_Bond_Stereo_Count	0
5287971	Isotope_Atom_Count	0
138492	Tautomer_Count	3
129847163	Isotope_Atom_Count	0
881	Undefined_Bond_Stereo_Count	0
7048767	Mono_Isotopic_Weight	324.183778013
12096001	Isotope_Atom_Count	0
20442	Rotatable_Bond_Count	11
11073372	Defined_Atom_Stereo_Count	0
136451	Covalent_Unit_Count	1
4168142	Rotatable_Bond_Count	8
4604180	Total_Formal_Charge	0
68737	Covalent_Unit_Count	3
8986	Molecular_Weight	329.81
5663	Non-hydrogen_Atom_Count	29
44151464	Non-hydrogen_Atom_Count	16
14552327	TPSA	20.2
230	Molecular_Weight	230.11
636523	Undefined_Bond_Stereo_Count	0
420	XLogP3-AA	8.3
20578	TPSA	38.3
54332589	Hydrogen_Bond_Donor_Count	0
53472153	Defined_Atom_Stereo_Count	0
86439	Hydrogen_Bond_Donor_Count	0
6942	Isotope_Atom_Count	0
181978	Covalent_Unit_Count	3
11249342	Molecular_Weight	337.4
557049	Undefined_Atom_Stereo_Count	3
11513929	Molecular_Weight	197.19
55285775	Defined_Atom_Stereo_Count	0
12002494	Exact_Mass	454.0866393
60196431	Molecular_Weight	361.3
448025	Covalent_Unit_Count	1
129652530	Non-hydrogen_Atom_Count	25
17071	TPSA	20.3
79224	Defined_Bond_Stereo_Count	0
129673373	Hydrogen_Bond_Acceptor_Count	14
40589	Non-hydrogen_Atom_Count	26
68499424	Mono_Isotopic_Weight	96.068748264
98559	Exact_Mass	282.18444672
6722	Isotope_Atom_Count	0
12899069	Covalent_Unit_Count	1
693959	XLogP3-AA	2.9
5282489	Structure_Complexity	244
5744	Undefined_Atom_Stereo_Count	0
15565709	Hydrogen_Bond_Acceptor_Count	4
3082717	Rotatable_Bond_Count	6
42540	Non-hydrogen_Atom_Count	20
146468	Non-hydrogen_Atom_Count	14
21998472	Non-hydrogen_Atom_Count	15
130804992	TPSA	21.3
87524	TPSA	87
66559017	Rotatable_Bond_Count	4
25474	Total_Formal_Charge	0
11660	Molecular_Weight	112.98
45085139	Non-hydrogen_Atom_Count	8
14241402	Hydrogen_Bond_Acceptor_Count	2
53364498	Defined_Bond_Stereo_Count	0
20662793	XLogP3-AA	1.1
11826859	Covalent_Unit_Count	1
61633	Exact_Mass	126.068079557
54321	Rotatable_Bond_Count	4
6917972	Mono_Isotopic_Weight	247.963896
3003004	Undefined_Atom_Stereo_Count	0
9867061	XLogP3-AA	3.3
108850	Rotatable_Bond_Count	1
33344	Molecular_Weight	149.60
11518241	Isotope_Atom_Count	0
720471	Molecular_Weight	142.18
4369	TPSA	110
18646844	Hydrogen_Bond_Acceptor_Count	11
21192822	Mono_Isotopic_Weight	418.1120432
4186	Rotatable_Bond_Count	6
6786	Hydrogen_Bond_Donor_Count	0
59483380	Undefined_Atom_Stereo_Count	1
15324722	Structure_Complexity	151
57713	Exact_Mass	501.22101093
43184	Defined_Atom_Stereo_Count	0
8422	XLogP3	2.5
64973730	Rotatable_Bond_Count	3
129319344	Hydrogen_Bond_Acceptor_Count	2
70662752	Molecular_Weight	112.17
59252	Undefined_Bond_Stereo_Count	0
41967	Undefined_Atom_Stereo_Count	2
3080926	Exact_Mass	186.079312947
10034582	Structure_Complexity	98
13597	Covalent_Unit_Count	1
136649	Structure_Complexity	113
243859	Mono_Isotopic_Weight	115.099714038
12939	Exact_Mass	348.24129289
5831	Covalent_Unit_Count	2
9805430	XLogP3-AA	0.8
556371	Isotope_Atom_Count	0
26423	Exact_Mass	319.925559
17902	Defined_Atom_Stereo_Count	0
18684667	XLogP3-AA	3.3
92303	Structure_Complexity	448
125286696	Defined_Bond_Stereo_Count	2
102503760	Covalent_Unit_Count	1
9325	Hydrogen_Bond_Donor_Count	0
436520	XLogP3-AA	8.7
55288167	Structure_Complexity	74.1
101574147	Hydrogen_Bond_Acceptor_Count	7
2778763	Defined_Bond_Stereo_Count	0
2969	Exact_Mass	172.146329876
9800	Defined_Bond_Stereo_Count	0
34327	Undefined_Atom_Stereo_Count	0
2100	Mono_Isotopic_Weight	918.35416761
118855860	Undefined_Bond_Stereo_Count	0
25110841	Rotatable_Bond_Count	9
57458936	Isotope_Atom_Count	0
5363234	XLogP3-AA	12.1
77082	Mono_Isotopic_Weight	393.077760
2963	Rotatable_Bond_Count	1
1093	Structure_Complexity	646
12256	TPSA	9.2
18769664	Defined_Bond_Stereo_Count	0
123451	Covalent_Unit_Count	1
23277870	Rotatable_Bond_Count	3
20697439	Structure_Complexity	88.5
57586319	Defined_Atom_Stereo_Count	0
43558816	Structure_Complexity	123
20936	Exact_Mass	204.10064299
5880	Total_Formal_Charge	0
23643935	Total_Formal_Charge	0
15577855	Hydrogen_Bond_Donor_Count	0
12672	Non-hydrogen_Atom_Count	6
520744	Molecular_Weight	142.24
45358055	Structure_Complexity	507
61896	Undefined_Atom_Stereo_Count	0
25271884	Undefined_Atom_Stereo_Count	0
34081	Mono_Isotopic_Weight	640.21692861
55289472	Undefined_Atom_Stereo_Count	0
1131	Structure_Complexity	413
70680970	Defined_Atom_Stereo_Count	0
11600642	Defined_Atom_Stereo_Count	1
964856	XLogP3-AA	4
56069	Non-hydrogen_Atom_Count	29
82593534	TPSA	32.3
6921821	Rotatable_Bond_Count	3
45544	Molecular_Weight	221.29
4343483	Mono_Isotopic_Weight	109.9926871
5486172	XLogP3-AA	0
12370	Covalent_Unit_Count	1
440784	Exact_Mass	590.31043507
38980	Exact_Mass	298.1236763
60168629	Mono_Isotopic_Weight	381.15762283
27755	Mono_Isotopic_Weight	417.08169844
9898439	Isotope_Atom_Count	0
55289700	Molecular_Weight	114.15
22086042	Isotope_Atom_Count	0
13530	Structure_Complexity	70.6
104745	Tautomer_Count	1
71679410	Exact_Mass	419.34787550
118978207	Molecular_Weight	112.17
68296308	TPSA	64.7
702	Defined_Atom_Stereo_Count	0
4855	XLogP3	1.3
17806258	Hydrogen_Bond_Acceptor_Count	2
12507	Covalent_Unit_Count	1
72392	Isotope_Atom_Count	0
70837	Hydrogen_Bond_Acceptor_Count	4
2723610	Mono_Isotopic_Weight	342.11621151
135391135	XLogP3-AA	6.8
9942133	Structure_Complexity	101
49865859	Non-hydrogen_Atom_Count	25
9883149	Defined_Bond_Stereo_Count	0
76430	Total_Formal_Charge	0
158770620	Exact_Mass	114.104465066
16212081	TPSA	59.4
60698	Undefined_Bond_Stereo_Count	0
4782	Undefined_Atom_Stereo_Count	1
22225706	Mono_Isotopic_Weight	101.084063974
270624	Exact_Mass	100.052429494
8068	Tautomer_Count	1
7090	Total_Formal_Charge	0
44214615	Structure_Complexity	203
146681133	Undefined_Atom_Stereo_Count	0
6366720	Structure_Complexity	365
98330	Defined_Atom_Stereo_Count	0
1712058	Structure_Complexity	199
131731052	Defined_Atom_Stereo_Count	0
96291	Exact_Mass	158.167065321
22608833	Exact_Mass	114.9955546
17572160	Molecular_Weight	863.3
22979	Total_Formal_Charge	0
905	Non-hydrogen_Atom_Count	12
14230	Molecular_Weight	115.17
73801102	Isotope_Atom_Count	0
7380	Hydrogen_Bond_Acceptor_Count	1
54025313	TPSA	13.1
6160	Tautomer_Count	2
119476	Isotope_Atom_Count	0
7019	Covalent_Unit_Count	1
98416	Mono_Isotopic_Weight	246.125594432
135455617	Total_Formal_Charge	0
21713016	Structure_Complexity	70.1
4764	Molecular_Weight	318.3
182420	Tautomer_Count	1
10138259	Total_Formal_Charge	0
9847494	Isotope_Atom_Count	0
6445008	Defined_Atom_Stereo_Count	0
12562198	Defined_Bond_Stereo_Count	0
61614676	Covalent_Unit_Count	1
3796816	Mono_Isotopic_Weight	110.036779430
5288598	Mono_Isotopic_Weight	238.09535693
57401427	Hydrogen_Bond_Acceptor_Count	5
129834519	Exact_Mass	500.93928053
60191	Non-hydrogen_Atom_Count	40
290670	Mono_Isotopic_Weight	364.18858861
13991585	Exact_Mass	718.15338487
12708563	Structure_Complexity	62.8
3033521	Hydrogen_Bond_Donor_Count	5
86000267	Exact_Mass	208.219100893
220	Structure_Complexity	234
11278075	Rotatable_Bond_Count	0
79960033	Isotope_Atom_Count	0
66599893	Covalent_Unit_Count	1
78553	Mono_Isotopic_Weight	215.96083
123417941	Exact_Mass	102.079312947
7989	Rotatable_Bond_Count	3
12514206	Mono_Isotopic_Weight	106.053098200
54247939	Molecular_Weight	111.14
71360359	Exact_Mass	108.057514874
167693	Undefined_Atom_Stereo_Count	0
492967	Rotatable_Bond_Count	15
10483883	Total_Formal_Charge	0
100698	Molecular_Weight	93.08
24865624	Covalent_Unit_Count	1
129854350	Isotope_Atom_Count	0
11794741	Isotope_Atom_Count	0
24955	Tautomer_Count	3
68751	Hydrogen_Bond_Donor_Count	1
20823772	Undefined_Atom_Stereo_Count	0
5360	Undefined_Bond_Stereo_Count	0
14957	Exact_Mass	548.27338086
135398592	Undefined_Atom_Stereo_Count	0
12276	Hydrogen_Bond_Donor_Count	0
65944	Undefined_Bond_Stereo_Count	0
6853	Hydrogen_Bond_Acceptor_Count	0
9818903	Undefined_Bond_Stereo_Count	0
130224237	Undefined_Bond_Stereo_Count	0
60983	Molecular_Weight	128.17
49985	Rotatable_Bond_Count	3
510	TPSA	140
140738	Hydrogen_Bond_Donor_Count	0
40539	Hydrogen_Bond_Donor_Count	3
16049088	Defined_Bond_Stereo_Count	0
89886	Defined_Atom_Stereo_Count	8
44193111	Exact_Mass	396.1040837
132862	Structure_Complexity	193
8042	TPSA	26.3
11309477	Defined_Atom_Stereo_Count	0
53276	Exact_Mass	304.13355396
3001860	Covalent_Unit_Count	1
68869	Total_Formal_Charge	0
5362460	XLogP3	2.7
1738	Rotatable_Bond_Count	3
247929	Tautomer_Count	9
129803162	Total_Formal_Charge	0
54285963	Undefined_Atom_Stereo_Count	0
544792	Non-hydrogen_Atom_Count	6
403648	Mono_Isotopic_Weight	382.98249
7204	Undefined_Bond_Stereo_Count	0
745	Hydrogen_Bond_Acceptor_Count	8
500	Defined_Bond_Stereo_Count	0
19385	Total_Formal_Charge	0
475319	Defined_Atom_Stereo_Count	2
598427	TPSA	12
17273	Undefined_Atom_Stereo_Count	4
12369	Molecular_Weight	179.10
14923	Hydrogen_Bond_Donor_Count	2
32315	Total_Formal_Charge	0
11094545	Covalent_Unit_Count	1
88836	Non-hydrogen_Atom_Count	17
21542775	Hydrogen_Bond_Acceptor_Count	2
23510138	Non-hydrogen_Atom_Count	7
73343	Mono_Isotopic_Weight	164.04419074
441374	Exact_Mass	582.20543769
9930448	Non-hydrogen_Atom_Count	28
40472	Isotope_Atom_Count	0
31227	Structure_Complexity	114
6748	Mono_Isotopic_Weight	159.068413911
135445749	Mono_Isotopic_Weight	503.15052004
9884642	Defined_Bond_Stereo_Count	0
65356	Structure_Complexity	423
7472	Undefined_Bond_Stereo_Count	0
84677	Isotope_Atom_Count	0
107706	Rotatable_Bond_Count	9
71268957	Total_Formal_Charge	0
24728610	Undefined_Bond_Stereo_Count	0
22836366	Exact_Mass	181.06966484
15424	Rotatable_Bond_Count	9
460392	XLogP3-AA	4.1
101998518	Hydrogen_Bond_Donor_Count	1
12749319	XLogP3-AA	1.7
227112	TPSA	74.6
33603	Molecular_Weight	212.25
19969	Defined_Bond_Stereo_Count	0
87714	Structure_Complexity	39.2
59020	Total_Formal_Charge	0
45934481	Isotope_Atom_Count	0
7465	Undefined_Atom_Stereo_Count	0
24705318	Molecular_Weight	113.16
66080	Structure_Complexity	92.6
237873	Defined_Bond_Stereo_Count	0
72200226	Covalent_Unit_Count	1
12302681	Undefined_Atom_Stereo_Count	1
21770	TPSA	17.8
68705	Undefined_Bond_Stereo_Count	0
136316	TPSA	0
104955	Hydrogen_Bond_Acceptor_Count	4
57312199	Undefined_Bond_Stereo_Count	0
3827	Isotope_Atom_Count	0
11729	Structure_Complexity	61.8
14040	Defined_Atom_Stereo_Count	0
285118	Hydrogen_Bond_Acceptor_Count	4
11422859	Isotope_Atom_Count	0
11597936	Hydrogen_Bond_Acceptor_Count	7
21717212	Rotatable_Bond_Count	6
44033	Non-hydrogen_Atom_Count	23
21798	Exact_Mass	270.10044231
58242	Molecular_Weight	250.29
22274936	Defined_Atom_Stereo_Count	0
737375	Defined_Atom_Stereo_Count	0
54586719	Undefined_Bond_Stereo_Count	0
54704426	Total_Formal_Charge	0
12506259	Exact_Mass	115.063328530
134879127	Rotatable_Bond_Count	4
102102472	XLogP3-AA	3.2
13238893	Hydrogen_Bond_Donor_Count	0
3052776	Structure_Complexity	212
8641	Undefined_Atom_Stereo_Count	0
91460	Rotatable_Bond_Count	1
9845837	XLogP3-AA	2.7
14251035	Structure_Complexity	53.6
45085047	Structure_Complexity	139
2473	Defined_Bond_Stereo_Count	0
19782479	Hydrogen_Bond_Acceptor_Count	2
96380	Mono_Isotopic_Weight	203.094628657
6945	Hydrogen_Bond_Donor_Count	0
227085	TPSA	39.2
19951	Undefined_Atom_Stereo_Count	0
134495	Hydrogen_Bond_Acceptor_Count	4
6424	Covalent_Unit_Count	1
63996	Molecular_Weight	308.3
44352968	Undefined_Bond_Stereo_Count	0
449223	Undefined_Atom_Stereo_Count	0
136045807	Mono_Isotopic_Weight	501.16483347
2896	Structure_Complexity	178
141161	Molecular_Weight	136.3
79606	Covalent_Unit_Count	1
11967214	Structure_Complexity	326
9877746	Total_Formal_Charge	0
545093	Rotatable_Bond_Count	1
10206	Structure_Complexity	994
6	Isotope_Atom_Count	0
141343693	Covalent_Unit_Count	1
398595	Mono_Isotopic_Weight	321.17796
3603	Molecular_Weight	349.6
102452879	Covalent_Unit_Count	1
69132	TPSA	26.3
65764	Structure_Complexity	511
130169	Isotope_Atom_Count	0
75087	Exact_Mass	328.15534438
3960	Undefined_Atom_Stereo_Count	1
9840851	Molecular_Weight	339.4
6324659	Hydrogen_Bond_Donor_Count	5
7280190	Undefined_Bond_Stereo_Count	0
13250495	Undefined_Bond_Stereo_Count	0
33196	Hydrogen_Bond_Acceptor_Count	3
10772936	Undefined_Bond_Stereo_Count	0
21157625	Hydrogen_Bond_Donor_Count	0
5488036	Hydrogen_Bond_Acceptor_Count	11
1551245	Exact_Mass	149.120449483
11544170	TPSA	66
75151	Structure_Complexity	29
72685	Hydrogen_Bond_Donor_Count	6
3191	XLogP3-AA	7.2
66565	Defined_Atom_Stereo_Count	0
9904	Undefined_Atom_Stereo_Count	0
11910	Molecular_Weight	143.18
43834	Tautomer_Count	1
14536436	Isotope_Atom_Count	0
3366298	Undefined_Atom_Stereo_Count	0
6606	Non-hydrogen_Atom_Count	31
91758680	Rotatable_Bond_Count	2
24203	Undefined_Bond_Stereo_Count	0
81455	Hydrogen_Bond_Donor_Count	0
14709	Hydrogen_Bond_Acceptor_Count	3
15179723	Mono_Isotopic_Weight	102.079312947
13432	Exact_Mass	187.063328530
81653	Tautomer_Count	1
57473011	Covalent_Unit_Count	1
268492	Non-hydrogen_Atom_Count	23
7618	Molecular_Weight	149.19
64710	Defined_Atom_Stereo_Count	9
6433951	Tautomer_Count	3
25912	Total_Formal_Charge	0
7716	TPSA	0
73441	Non-hydrogen_Atom_Count	35
71309503	Structure_Complexity	151
9961	XLogP3	0.9
16501	Rotatable_Bond_Count	3
159603835	Non-hydrogen_Atom_Count	8
15433	Covalent_Unit_Count	1
60209141	Tautomer_Count	36
10307909	Structure_Complexity	219
27686	Covalent_Unit_Count	1
13011	Non-hydrogen_Atom_Count	9
11013485	Hydrogen_Bond_Donor_Count	1
5288033	Defined_Atom_Stereo_Count	0
5359596	Rotatable_Bond_Count	0
23668195	Molecular_Weight	150.89
688803	Defined_Atom_Stereo_Count	0
15731	Undefined_Bond_Stereo_Count	0
60966	Exact_Mass	91.099714038
54585373	Hydrogen_Bond_Acceptor_Count	8
15221251	Rotatable_Bond_Count	1
55261	Undefined_Atom_Stereo_Count	0
16092139	XLogP3-AA	3.3
523251	Non-hydrogen_Atom_Count	8
77603	Hydrogen_Bond_Acceptor_Count	2
17907603	TPSA	37.3
11240440	Isotope_Atom_Count	0
71311382	TPSA	17.1
27993	Hydrogen_Bond_Acceptor_Count	5
9568637	Covalent_Unit_Count	11
22398442	Structure_Complexity	161
86607	Rotatable_Bond_Count	4
29863	Rotatable_Bond_Count	2
12508473	Isotope_Atom_Count	0
535805	Defined_Atom_Stereo_Count	0
10447660	XLogP3-AA	2.8
637584	Undefined_Atom_Stereo_Count	0
7530950	Hydrogen_Bond_Acceptor_Count	2
25201827	Structure_Complexity	329
12395962	Defined_Atom_Stereo_Count	0
20347	Rotatable_Bond_Count	3
52355	Molecular_Weight	292.29
91181590	Total_Formal_Charge	0
67636	Undefined_Atom_Stereo_Count	0
16606	XLogP3-AA	2
115227	Rotatable_Bond_Count	1
23187246	Defined_Bond_Stereo_Count	0
9661	Structure_Complexity	233
10964444	Hydrogen_Bond_Donor_Count	1
17882722	Rotatable_Bond_Count	0
4342	Undefined_Atom_Stereo_Count	0
11548000	Rotatable_Bond_Count	12
9855448	Molecular_Weight	85.10
219020	Total_Formal_Charge	0
20134527	Hydrogen_Bond_Donor_Count	0
74096	Covalent_Unit_Count	1
91769	Tautomer_Count	2
7131	Isotope_Atom_Count	0
5121	Defined_Atom_Stereo_Count	0
6343	TPSA	1
145711648	Hydrogen_Bond_Acceptor_Count	2
12102501	Defined_Atom_Stereo_Count	0
5353453	Undefined_Atom_Stereo_Count	0
289539	Mono_Isotopic_Weight	113.047678466
5889665	Total_Formal_Charge	0
662877	Defined_Atom_Stereo_Count	0
158144361	Covalent_Unit_Count	1
6640	Exact_Mass	200.05071541
11700183	Isotope_Atom_Count	0
4884	Exact_Mass	137.071487915
17780743	Mono_Isotopic_Weight	117.078978594
83270	Defined_Atom_Stereo_Count	0
71248	Defined_Bond_Stereo_Count	0
67379186	Covalent_Unit_Count	1
53735	Isotope_Atom_Count	0
413540	Hydrogen_Bond_Acceptor_Count	1
12116	Exact_Mass	230.07653624
58557659	Undefined_Bond_Stereo_Count	0
5362772	Isotope_Atom_Count	0
135814	Mono_Isotopic_Weight	296.17360725
99922	Hydrogen_Bond_Donor_Count	1
88007	Exact_Mass	1193.05482142
6857447	Covalent_Unit_Count	1
143051390	Mono_Isotopic_Weight	99.068413911
30461	Molecular_Weight	206.24
347271	Total_Formal_Charge	0
3232583	Hydrogen_Bond_Acceptor_Count	6
84354	Exact_Mass	368.962275
156391	XLogP3	3.3
39385	Molecular_Weight	293.75
12200749	Covalent_Unit_Count	1
11173	Hydrogen_Bond_Acceptor_Count	1
20056950	Mono_Isotopic_Weight	440.16000488
6035	Undefined_Bond_Stereo_Count	0
16212479	Hydrogen_Bond_Acceptor_Count	7
6857482	Mono_Isotopic_Weight	222.198365449
105104	Covalent_Unit_Count	1
23616669	TPSA	72
93321	Defined_Atom_Stereo_Count	5
3683036	Rotatable_Bond_Count	4
55285488	TPSA	51.2
152204	Exact_Mass	161.06880783
36303	XLogP3-AA	3.2
97627	Structure_Complexity	398
122623	Isotope_Atom_Count	0
702015	Exact_Mass	260.10485899
13006	Hydrogen_Bond_Donor_Count	0
94204	Molecular_Weight	440.7
159952	Structure_Complexity	196
449085	Tautomer_Count	1
53384896	Undefined_Atom_Stereo_Count	13
70060	Molecular_Weight	320.16
74484	Rotatable_Bond_Count	1
62130	Covalent_Unit_Count	2
3590	Defined_Atom_Stereo_Count	0
25008	Covalent_Unit_Count	1
11936	XLogP3	5.1
721137	Covalent_Unit_Count	1
52918384	XLogP3-AA	2
71248	Structure_Complexity	471
101148	Mono_Isotopic_Weight	152.083729621
22947120	Defined_Bond_Stereo_Count	0
3799953	Mono_Isotopic_Weight	78.03774543
42613186	Isotope_Atom_Count	0
5014	Covalent_Unit_Count	1
14344952	Isotope_Atom_Count	0
84693	Defined_Bond_Stereo_Count	0
104755	Covalent_Unit_Count	1
74339141	Hydrogen_Bond_Acceptor_Count	9
14758064	Defined_Bond_Stereo_Count	0
556485	Exact_Mass	112.088815002
71970	Molecular_Weight	363.4
10285778	Covalent_Unit_Count	1
79048	XLogP3-AA	1.1
5282183	Undefined_Bond_Stereo_Count	0
67284	Undefined_Bond_Stereo_Count	0
128882	Undefined_Bond_Stereo_Count	0
54231313	Molecular_Weight	99.09
141070	Isotope_Atom_Count	0
5723	XLogP3-AA	2.2
3639	Non-hydrogen_Atom_Count	17
236566	Total_Formal_Charge	0
24755482	Rotatable_Bond_Count	12
164886662	Isotope_Atom_Count	0
14712340	XLogP3-AA	1.2
60569	Covalent_Unit_Count	2
11953	Defined_Bond_Stereo_Count	0
5392	Molecular_Weight	466.5
26430	Molecular_Weight	344.5
1135	Defined_Atom_Stereo_Count	0
138891	Defined_Bond_Stereo_Count	0
19043571	XLogP3-AA	0.3
105766824	Non-hydrogen_Atom_Count	8
135391135	Non-hydrogen_Atom_Count	29
15276695	Isotope_Atom_Count	0
657378	Covalent_Unit_Count	1
265370	Exact_Mass	113.084063974
5742590	Tautomer_Count	1
539061	XLogP3	0.8
60155273	Molecular_Weight	474.6
10197612	Isotope_Atom_Count	0
9989237	Undefined_Bond_Stereo_Count	0
24864463	Rotatable_Bond_Count	3
14866	XLogP3	2.1
6328648	Mono_Isotopic_Weight	141.109952077
92043367	Structure_Complexity	151
67123	Rotatable_Bond_Count	13
5463858	Defined_Bond_Stereo_Count	0
47649	Rotatable_Bond_Count	2
6325	Rotatable_Bond_Count	0
44345198	Hydrogen_Bond_Acceptor_Count	5
160331	Structure_Complexity	365
3222	Isotope_Atom_Count	0
135503538	TPSA	129
43962	Undefined_Atom_Stereo_Count	0
142906448	Covalent_Unit_Count	1
108108	Isotope_Atom_Count	0
21991095	XLogP3-AA	0.7
129888394	Mono_Isotopic_Weight	108.057514874
54765302	Total_Formal_Charge	0
439371	Undefined_Bond_Stereo_Count	0
3068143	Defined_Atom_Stereo_Count	4
15942672	TPSA	63.2
135532964	Defined_Bond_Stereo_Count	0
134839321	Molecular_Weight	905.0
145994868	Molecular_Weight	3283.6
6916	Undefined_Bond_Stereo_Count	0
130025741	Rotatable_Bond_Count	2
22878123	Mono_Isotopic_Weight	292.18858861
5378708	Undefined_Atom_Stereo_Count	0
11538455	Structure_Complexity	533
104806	Covalent_Unit_Count	1
23663397	Molecular_Weight	541.6
3337411	Structure_Complexity	454
139061104	Hydrogen_Bond_Donor_Count	10
154731207	Defined_Atom_Stereo_Count	8
42553	Covalent_Unit_Count	1
12048	Rotatable_Bond_Count	3
21962760	Covalent_Unit_Count	1
63255	Exact_Mass	288.07103389
57505377	Rotatable_Bond_Count	2
16666708	Structure_Complexity	596
9160	Non-hydrogen_Atom_Count	21
27893	Defined_Atom_Stereo_Count	0
5287792	Structure_Complexity	497
26081	Covalent_Unit_Count	1
4308	Tautomer_Count	2
118513932	Non-hydrogen_Atom_Count	30
54307	Tautomer_Count	5
107767	Total_Formal_Charge	0
5284376	Mono_Isotopic_Weight	269.0407907
658	Total_Formal_Charge	0
24437	Structure_Complexity	18.8
155907178	Covalent_Unit_Count	3
6432649	Undefined_Bond_Stereo_Count	0
441364	Exact_Mass	503.2802365
13434377	Rotatable_Bond_Count	5
140905	Exact_Mass	112.088815002
735091	Defined_Bond_Stereo_Count	0
66602	Covalent_Unit_Count	1
15983988	Covalent_Unit_Count	1
439196	Isotope_Atom_Count	0
193846	Isotope_Atom_Count	0
6321424	XLogP3-AA	4.1
10404073	Hydrogen_Bond_Acceptor_Count	3
82291	Covalent_Unit_Count	2
10405997	Covalent_Unit_Count	1
20836217	XLogP3-AA	4.7
14354	Undefined_Atom_Stereo_Count	0
48199	Rotatable_Bond_Count	7
51049968	Hydrogen_Bond_Donor_Count	2
54758501	Defined_Atom_Stereo_Count	0
8015	Mono_Isotopic_Weight	68.037448136
12895043	Hydrogen_Bond_Acceptor_Count	3
47714	Hydrogen_Bond_Acceptor_Count	4
160743751	Undefined_Atom_Stereo_Count	0
5282315	Defined_Bond_Stereo_Count	2
68634	Non-hydrogen_Atom_Count	25
137331882	Covalent_Unit_Count	2
81045	Rotatable_Bond_Count	13
257950	Mono_Isotopic_Weight	162.068079557
20827794	Covalent_Unit_Count	1
22137184	Total_Formal_Charge	0
290807	Hydrogen_Bond_Acceptor_Count	1
6377	Exact_Mass	57.057849228
6450478	Isotope_Atom_Count	0
36647	Structure_Complexity	234
140143509	Non-hydrogen_Atom_Count	7
5365589	Undefined_Bond_Stereo_Count	0
6620134	Covalent_Unit_Count	1
9915743	Undefined_Atom_Stereo_Count	0
20685	Defined_Bond_Stereo_Count	0
58051	Covalent_Unit_Count	1
6367	Total_Formal_Charge	0
5895404	Tautomer_Count	52
45117195	Covalent_Unit_Count	1
12371	Non-hydrogen_Atom_Count	8
39425	Covalent_Unit_Count	1
88808	Non-hydrogen_Atom_Count	21
5288700	TPSA	174
92722	XLogP3-AA	1.3
92023654	Hydrogen_Bond_Donor_Count	7
3062316	Structure_Complexity	642
102372243	Mono_Isotopic_Weight	416.32904526
124226574	Undefined_Bond_Stereo_Count	0
89311461	TPSA	46.1
453326	Undefined_Atom_Stereo_Count	0
24678	Undefined_Bond_Stereo_Count	0
1745	Hydrogen_Bond_Donor_Count	2
653419	Total_Formal_Charge	0
64927	Defined_Bond_Stereo_Count	0
16134627	Undefined_Atom_Stereo_Count	0
91746591	Covalent_Unit_Count	1
40466932	Defined_Atom_Stereo_Count	2
14989494	Defined_Bond_Stereo_Count	0
66374	Covalent_Unit_Count	1
134150175	Defined_Bond_Stereo_Count	0
83150	Undefined_Bond_Stereo_Count	0
75819	Total_Formal_Charge	0
2021	Mono_Isotopic_Weight	332.15835111
627	Rotatable_Bond_Count	5
10180181	Covalent_Unit_Count	1
5329098	Hydrogen_Bond_Donor_Count	2
44419235	Defined_Bond_Stereo_Count	0
2779031	Structure_Complexity	237
2682	XLogP3	7.3
12862572	Rotatable_Bond_Count	6
9855350	TPSA	710
53846427	Covalent_Unit_Count	1
7058	Isotope_Atom_Count	0
156619111	Total_Formal_Charge	0
83795	Mono_Isotopic_Weight	128.094963011
90720950	Molecular_Weight	114.08
10872638	Rotatable_Bond_Count	3
6160	Rotatable_Bond_Count	5
69026	Exact_Mass	218.83535
13177193	Undefined_Bond_Stereo_Count	0
77405	Hydrogen_Bond_Donor_Count	2
135476770	Defined_Bond_Stereo_Count	0
25247	Defined_Atom_Stereo_Count	0
73714	Molecular_Weight	82.14
28207	Rotatable_Bond_Count	3
32681	Defined_Bond_Stereo_Count	0
44338979	TPSA	167
71945	Tautomer_Count	1
57397290	Non-hydrogen_Atom_Count	36
2817255	Structure_Complexity	458
206527	Total_Formal_Charge	0
527072	Structure_Complexity	282
22353151	Rotatable_Bond_Count	6
21679899	Hydrogen_Bond_Acceptor_Count	1
132999	Defined_Bond_Stereo_Count	0
87190	Undefined_Atom_Stereo_Count	0
10355488	Rotatable_Bond_Count	1
5684	Defined_Atom_Stereo_Count	0
24824	Hydrogen_Bond_Donor_Count	0
317542	Defined_Bond_Stereo_Count	0
56840877	Isotope_Atom_Count	0
92135969	Molecular_Weight	555.7
45116623	Defined_Atom_Stereo_Count	0
208901	Defined_Bond_Stereo_Count	0
84590	Undefined_Atom_Stereo_Count	0
101417707	Isotope_Atom_Count	0
8584	Molecular_Weight	403.5
8881	Exact_Mass	111.9846556
17043	Total_Formal_Charge	0
131750204	Isotope_Atom_Count	0
15122078	Molecular_Weight	262.07
11274968	Undefined_Bond_Stereo_Count	0
24582	XLogP3-AA	13
71360	Isotope_Atom_Count	0
87348	Defined_Bond_Stereo_Count	0
701621	Hydrogen_Bond_Donor_Count	1
1203	Defined_Atom_Stereo_Count	0
53569	Isotope_Atom_Count	0
6437801	Hydrogen_Bond_Donor_Count	0
647120	Molecular_Weight	403.8
79098	Isotope_Atom_Count	0
61285	Hydrogen_Bond_Acceptor_Count	3
11704625	Molecular_Weight	428.5
8205	Rotatable_Bond_Count	12
36245	TPSA	35.2
2340	Undefined_Atom_Stereo_Count	4
12423177	TPSA	33
6992027	Isotope_Atom_Count	0
10899521	Undefined_Bond_Stereo_Count	0
7284	Exact_Mass	86.073164938
53323740	Structure_Complexity	373
140152057	Defined_Atom_Stereo_Count	0
18343309	Exact_Mass	154.98366143
161272	Isotope_Atom_Count	0
3345	Non-hydrogen_Atom_Count	25
91861230	Undefined_Bond_Stereo_Count	0
57716	Defined_Bond_Stereo_Count	0
21896450	Mono_Isotopic_Weight	111.032028402
3036443	Defined_Atom_Stereo_Count	4
150311	XLogP3-AA	4
45456	Molecular_Weight	291.5
16132954	Hydrogen_Bond_Acceptor_Count	22
249494	Isotope_Atom_Count	0
82140	Isotope_Atom_Count	0
4110039	Mono_Isotopic_Weight	132.00096561
1006	Covalent_Unit_Count	1
131744	Molecular_Weight	116.16
140376	Exact_Mass	108.068748264
5885	Non-hydrogen_Atom_Count	48
20545753	Mono_Isotopic_Weight	105.078978594
85047	Defined_Atom_Stereo_Count	0
17132	Non-hydrogen_Atom_Count	13
11612445	Undefined_Bond_Stereo_Count	0
164656	Defined_Bond_Stereo_Count	0
15213038	Mono_Isotopic_Weight	87.068413911
8934	Molecular_Weight	319.2
9887884	Defined_Bond_Stereo_Count	0
500	Undefined_Atom_Stereo_Count	0
57400037	Mono_Isotopic_Weight	434.05538
65477	Mono_Isotopic_Weight	219.0581549
533848	Undefined_Atom_Stereo_Count	0
23238238	Defined_Bond_Stereo_Count	0
82588	Tautomer_Count	2
13258395	Undefined_Bond_Stereo_Count	0
74193	Non-hydrogen_Atom_Count	16
138961	Exact_Mass	97.052763847
74120	Tautomer_Count	1
550719	Mono_Isotopic_Weight	110.048012819
1155	Covalent_Unit_Count	1
91486	Isotope_Atom_Count	0
46782362	Tautomer_Count	1
84063996	Mono_Isotopic_Weight	116.083729621
44521024	Isotope_Atom_Count	0
135643052	Exact_Mass	224.07970687
34710	TPSA	29.5
86222	Undefined_Atom_Stereo_Count	1
103984	Tautomer_Count	1
9855453	Rotatable_Bond_Count	3
1299	Non-hydrogen_Atom_Count	15
5352624	Undefined_Atom_Stereo_Count	0
3031	Rotatable_Bond_Count	0
5357402	Hydrogen_Bond_Acceptor_Count	0
5367854	Undefined_Bond_Stereo_Count	0
17816	Defined_Atom_Stereo_Count	0
36538	Isotope_Atom_Count	0
104781	Hydrogen_Bond_Acceptor_Count	4
10290734	Isotope_Atom_Count	0
73174	Hydrogen_Bond_Acceptor_Count	2
67236	Mono_Isotopic_Weight	264.078644241
20439251	Defined_Bond_Stereo_Count	0
91667979	Covalent_Unit_Count	1
133687818	TPSA	245
19101060	Undefined_Bond_Stereo_Count	0
515574	Defined_Atom_Stereo_Count	0
145996525	Total_Formal_Charge	0
73603	Undefined_Atom_Stereo_Count	1
21343371	Undefined_Bond_Stereo_Count	0
70440	Covalent_Unit_Count	1
18447	TPSA	40
91175918	Hydrogen_Bond_Acceptor_Count	0
21991095	Covalent_Unit_Count	1
86461	Undefined_Atom_Stereo_Count	0
6918572	Total_Formal_Charge	0
44578536	Exact_Mass	318.15929460
117736505	Molecular_Weight	106.12
201412	Hydrogen_Bond_Donor_Count	6
2775003	Hydrogen_Bond_Acceptor_Count	2
10250	Undefined_Atom_Stereo_Count	0
5311104	Rotatable_Bond_Count	3
41910	Defined_Atom_Stereo_Count	0
10097082	XLogP3-AA	2.2
13465027	Total_Formal_Charge	0
127832	Tautomer_Count	1
21972128	Undefined_Bond_Stereo_Count	0
23519852	Covalent_Unit_Count	1
406793	Molecular_Weight	527.6
76138368	Undefined_Bond_Stereo_Count	0
57401681	XLogP3-AA	5
8629	Undefined_Atom_Stereo_Count	0
20435	Defined_Atom_Stereo_Count	3
5040	Undefined_Atom_Stereo_Count	15
11170867	Tautomer_Count	1000
91414	Undefined_Atom_Stereo_Count	0
9548714	Covalent_Unit_Count	1
80395	Undefined_Atom_Stereo_Count	0
16212360	Molecular_Weight	100.02
28932	Undefined_Bond_Stereo_Count	0
71226662	Tautomer_Count	6
123909	Hydrogen_Bond_Acceptor_Count	24
21874242	Structure_Complexity	1720
180504	Rotatable_Bond_Count	0
23456	Molecular_Weight	246.30
5363858	Undefined_Atom_Stereo_Count	1
11072675	Hydrogen_Bond_Acceptor_Count	1
36688209	Rotatable_Bond_Count	7
15576	Mono_Isotopic_Weight	571.7591
52905	Structure_Complexity	203
447277	XLogP3-AA	4.4
137031	Total_Formal_Charge	0
56842796	Defined_Atom_Stereo_Count	5
67519	Tautomer_Count	2
139062656	Hydrogen_Bond_Donor_Count	18
25315	Undefined_Bond_Stereo_Count	0
6435893	XLogP3-AA	7.5
76589	TPSA	55.8
65174649	Defined_Bond_Stereo_Count	0
6537488	Molecular_Weight	199.16
11094575	Non-hydrogen_Atom_Count	8
54292	Total_Formal_Charge	0
5488196	Molecular_Weight	236.27
136135	Rotatable_Bond_Count	0
6441385	XLogP3	5.5
5368076	Tautomer_Count	1
124584674	Covalent_Unit_Count	1
10034579	Undefined_Bond_Stereo_Count	0
160550	Hydrogen_Bond_Donor_Count	1
54352844	Covalent_Unit_Count	1
44480399	Defined_Atom_Stereo_Count	0
9470	Rotatable_Bond_Count	4
13218140	Total_Formal_Charge	0
163677749	TPSA	20.3
6436143	Exact_Mass	1578.658339
236487	Isotope_Atom_Count	0
66969	Non-hydrogen_Atom_Count	8
852	Undefined_Atom_Stereo_Count	2
12498	Defined_Bond_Stereo_Count	0
12740469	Structure_Complexity	103
136445	Exact_Mass	102.104465066
21988305	Isotope_Atom_Count	0
159755	Rotatable_Bond_Count	3
18596	Covalent_Unit_Count	2
67979331	Structure_Complexity	701
68089	Tautomer_Count	3
37153	Isotope_Atom_Count	0
129894493	Structure_Complexity	2220
6440180	Exact_Mass	429.06010
78096	Hydrogen_Bond_Acceptor_Count	4
5311341	Non-hydrogen_Atom_Count	35
51941	Exact_Mass	117.102788042
80108693	Isotope_Atom_Count	0
41466	Defined_Atom_Stereo_Count	0
70690020	Exact_Mass	417.21647512
146345448	TPSA	30.5
91031492	Defined_Atom_Stereo_Count	1
129636415	Molecular_Weight	492.6
29921593	Undefined_Atom_Stereo_Count	0
6525	Defined_Atom_Stereo_Count	0
11655595	XLogP3	0
13424661	Hydrogen_Bond_Acceptor_Count	8
140638754	Hydrogen_Bond_Acceptor_Count	1
663	Undefined_Bond_Stereo_Count	0
12394844	Defined_Bond_Stereo_Count	0
21490223	Hydrogen_Bond_Donor_Count	1
135191	Isotope_Atom_Count	0
644113	Isotope_Atom_Count	0
25154249	Defined_Bond_Stereo_Count	0
39066	Undefined_Atom_Stereo_Count	2
5509	Structure_Complexity	347
5742673	Undefined_Bond_Stereo_Count	0
36235	TPSA	178
25007064	Isotope_Atom_Count	0
53932534	Mono_Isotopic_Weight	115.063328530
66624275	Covalent_Unit_Count	1
3445	Hydrogen_Bond_Acceptor_Count	3
38012	Non-hydrogen_Atom_Count	17
50878566	Molecular_Weight	306.4
12486323	Isotope_Atom_Count	0
2803172	Total_Formal_Charge	0
41017	Molecular_Weight	211.5
57493771	Non-hydrogen_Atom_Count	19
6713951	Total_Formal_Charge	0
7336	Hydrogen_Bond_Donor_Count	0
194383	Hydrogen_Bond_Donor_Count	6
29393	TPSA	163
75064	Molecular_Weight	154.12
6435920	Mono_Isotopic_Weight	224.177630004
5459361	Hydrogen_Bond_Acceptor_Count	11
58195	Total_Formal_Charge	0
5459958	Exact_Mass	159.06573383
432760	TPSA	125
123755	Hydrogen_Bond_Donor_Count	3
5380976	Rotatable_Bond_Count	1
73455777	Undefined_Atom_Stereo_Count	2
6024	Rotatable_Bond_Count	7
20551532	Structure_Complexity	89.7
4547	Total_Formal_Charge	0
197942	Structure_Complexity	151
23568550	Rotatable_Bond_Count	1
68862	TPSA	52.6
13347991	Non-hydrogen_Atom_Count	8
11982778	Defined_Bond_Stereo_Count	3
230995	Defined_Atom_Stereo_Count	0
67570	Total_Formal_Charge	0
5284656	Exact_Mass	176.083729621
134551	Defined_Bond_Stereo_Count	0
44139752	Structure_Complexity	337
77687	Covalent_Unit_Count	1
10949	Undefined_Atom_Stereo_Count	0
8540	Structure_Complexity	345
62737	Non-hydrogen_Atom_Count	28
88547603	Undefined_Atom_Stereo_Count	2
20157043	Hydrogen_Bond_Acceptor_Count	2
2724294	Exact_Mass	166.062994177
42540	Molecular_Weight	390.9
85939688	Non-hydrogen_Atom_Count	18
53779803	Structure_Complexity	51.9
154496967	Structure_Complexity	382
60196377	Structure_Complexity	110
235713	Isotope_Atom_Count	0
6659	Isotope_Atom_Count	0
3507056	Hydrogen_Bond_Donor_Count	0
643790	Hydrogen_Bond_Acceptor_Count	2
23137	Non-hydrogen_Atom_Count	13
6957672	XLogP3-AA	3.9
135422442	Total_Formal_Charge	0
136097	Rotatable_Bond_Count	0
53394675	Isotope_Atom_Count	0
5281437	Isotope_Atom_Count	0
14842942	Undefined_Atom_Stereo_Count	0
117881739	Defined_Bond_Stereo_Count	0
5324288	Undefined_Atom_Stereo_Count	0
17356	Defined_Bond_Stereo_Count	0
5353635	Defined_Bond_Stereo_Count	1
10310632	Hydrogen_Bond_Acceptor_Count	5
12756	Non-hydrogen_Atom_Count	8
10814237	Undefined_Atom_Stereo_Count	0
4873	Hydrogen_Bond_Donor_Count	0
89061875	Defined_Bond_Stereo_Count	0
53328	Tautomer_Count	2
7020657	Exact_Mass	198.079312947
2734646	Tautomer_Count	1
20253286	Structure_Complexity	65.5
3661	Undefined_Bond_Stereo_Count	0
201734	Rotatable_Bond_Count	1
72165188	Tautomer_Count	4
24214097	Non-hydrogen_Atom_Count	11
230920	Molecular_Weight	154.25
20357	Molecular_Weight	172.26
20056627	Rotatable_Bond_Count	6
7401	Structure_Complexity	224
46878363	Hydrogen_Bond_Donor_Count	4
129991	Isotope_Atom_Count	0
13885286	TPSA	101
852452	TPSA	59.8
580057	Total_Formal_Charge	0
3056	TPSA	107
59296114	XLogP3-AA	4.4
47024	Hydrogen_Bond_Acceptor_Count	3
16843	Defined_Atom_Stereo_Count	0
237	Covalent_Unit_Count	1
9189	TPSA	12.9
518234	Isotope_Atom_Count	0
60196290	Exact_Mass	532.23332757
72131	Defined_Atom_Stereo_Count	5
4828	TPSA	57.3
25849	Exact_Mass	275.224914549
12355883	Isotope_Atom_Count	0
10493936	Isotope_Atom_Count	0
5171	Mono_Isotopic_Weight	293.13282569
13220	Covalent_Unit_Count	1
6585	Mono_Isotopic_Weight	76.016043985
14041489	Undefined_Atom_Stereo_Count	2
70763	Defined_Bond_Stereo_Count	0
32593	Hydrogen_Bond_Donor_Count	0
12500500	Undefined_Atom_Stereo_Count	1
91558991	Isotope_Atom_Count	0
905	Hydrogen_Bond_Donor_Count	2
21679899	Isotope_Atom_Count	0
9603	Isotope_Atom_Count	0
135402338	Isotope_Atom_Count	0
130026605	Covalent_Unit_Count	1
88402732	Undefined_Bond_Stereo_Count	0
4929	Mono_Isotopic_Weight	241.13611680
175967	TPSA	140
97135	Defined_Bond_Stereo_Count	0
2306	Isotope_Atom_Count	0
11434927	Non-hydrogen_Atom_Count	8
25023836	Rotatable_Bond_Count	7
70276811	Defined_Atom_Stereo_Count	2
82220	Total_Formal_Charge	0
95197	Rotatable_Bond_Count	2
23283113	Undefined_Bond_Stereo_Count	0
12529300	TPSA	26
12302691	Isotope_Atom_Count	0
6540277	Undefined_Bond_Stereo_Count	0
12241083	XLogP3-AA	2.9
5311110	Total_Formal_Charge	0
12548640	Rotatable_Bond_Count	2
94818	Hydrogen_Bond_Donor_Count	1
520362	TPSA	0
544627	Hydrogen_Bond_Acceptor_Count	1
13213307	Total_Formal_Charge	0
9141	Total_Formal_Charge	0
3330	Defined_Atom_Stereo_Count	0
1855	Non-hydrogen_Atom_Count	15
5315244	Hydrogen_Bond_Acceptor_Count	12
611370	Hydrogen_Bond_Acceptor_Count	5
6857	Defined_Bond_Stereo_Count	0
84647680	Covalent_Unit_Count	1
442070	Tautomer_Count	3
86673	Total_Formal_Charge	0
7628	Isotope_Atom_Count	0
20324725	TPSA	26.3
13168503	Exact_Mass	123.99254563
9794056	Mono_Isotopic_Weight	181.06674293
84020522	XLogP3-AA	0.6
13218779	Total_Formal_Charge	0
8918	Non-hydrogen_Atom_Count	13
66130	Undefined_Bond_Stereo_Count	0
129681963	Rotatable_Bond_Count	4
70696332	Hydrogen_Bond_Donor_Count	1
100016	Defined_Atom_Stereo_Count	4
24868286	Exact_Mass	254.9966172
56953649	TPSA	82
118346510	Defined_Bond_Stereo_Count	0
426409	Undefined_Atom_Stereo_Count	1
71072118	Undefined_Atom_Stereo_Count	0
12041	Isotope_Atom_Count	0
517121	Undefined_Atom_Stereo_Count	0
160602	Defined_Atom_Stereo_Count	0
1676	Undefined_Atom_Stereo_Count	0
3146673	Total_Formal_Charge	0
11405875	Defined_Bond_Stereo_Count	0
1479778	Undefined_Bond_Stereo_Count	0
131709225	Tautomer_Count	11
117859259	Covalent_Unit_Count	1
11229	Exact_Mass	100.125200510
456557	Structure_Complexity	871
1548943	Undefined_Atom_Stereo_Count	0
3783165	Non-hydrogen_Atom_Count	7
3410	TPSA	90.8
28424	Rotatable_Bond_Count	4
60606	TPSA	57.8
823887	Hydrogen_Bond_Acceptor_Count	2
12920383	Defined_Bond_Stereo_Count	0
9885626	Covalent_Unit_Count	1
118701016	Structure_Complexity	3150
67125854	Undefined_Atom_Stereo_Count	0
87237616	Mono_Isotopic_Weight	836.79854718
66747531	Isotope_Atom_Count	0
605	Covalent_Unit_Count	1
6924	Hydrogen_Bond_Acceptor_Count	3
4695	Total_Formal_Charge	1
78148	Mono_Isotopic_Weight	81.057849228
12317612	Mono_Isotopic_Weight	112.052429494
14045186	Non-hydrogen_Atom_Count	8
2803	Exact_Mass	229.0173527
7579	TPSA	61.3
6419898	TPSA	195
68196	Defined_Atom_Stereo_Count	0
1779	Defined_Atom_Stereo_Count	0
74572	XLogP3	3.2
3055174	Exact_Mass	468.23234512
66545743	Hydrogen_Bond_Donor_Count	1
93521	Undefined_Atom_Stereo_Count	0
71674	XLogP3-AA	0.6
59111489	Structure_Complexity	415
1176	Tautomer_Count	2
74229	Defined_Bond_Stereo_Count	0
7857	Mono_Isotopic_Weight	57.021463719
79856	Covalent_Unit_Count	1
2299	Non-hydrogen_Atom_Count	32
6937	Mono_Isotopic_Weight	164.120115130
7588	Exact_Mass	298.168127949
193972	Defined_Bond_Stereo_Count	0
23653	Rotatable_Bond_Count	11
12350	XLogP3-AA	3
8364	Covalent_Unit_Count	1
128626	Hydrogen_Bond_Acceptor_Count	3
60196329	Hydrogen_Bond_Acceptor_Count	6
5310993	Molecular_Weight	154.12
137231010	Rotatable_Bond_Count	5
40159	Tautomer_Count	1
4235	Isotope_Atom_Count	0
8069	Rotatable_Bond_Count	2
398743	TPSA	9.7
9980551	Rotatable_Bond_Count	4
171284	Total_Formal_Charge	0
46231499	Structure_Complexity	660
2783176	XLogP3-AA	1.4
9925873	TPSA	50.7
72060	Non-hydrogen_Atom_Count	15
2724259	Undefined_Atom_Stereo_Count	0
67108485	Exact_Mass	99.068413911
82131	Mono_Isotopic_Weight	213.96294
9832383	XLogP3-AA	4.7
75530159	Isotope_Atom_Count	0
6409	Structure_Complexity	38.5
20472034	Covalent_Unit_Count	1
176158	Molecular_Weight	371.2
6347538	Structure_Complexity	590
50561	Undefined_Atom_Stereo_Count	0
10176113	Exact_Mass	110.084398327
143440	Isotope_Atom_Count	0
11347670	Exact_Mass	317.152812238
91170688	Hydrogen_Bond_Acceptor_Count	3
101526	Undefined_Atom_Stereo_Count	0
149697	Isotope_Atom_Count	0
57159129	Total_Formal_Charge	0
81150	Isotope_Atom_Count	0
5948	Structure_Complexity	72.1
391144	Hydrogen_Bond_Donor_Count	2
119202	Tautomer_Count	5
15940870	Exact_Mass	232.109944368
14160348	Defined_Atom_Stereo_Count	0
22321577	Undefined_Atom_Stereo_Count	1
66320	Defined_Bond_Stereo_Count	0
133662561	Undefined_Bond_Stereo_Count	0
30541	Non-hydrogen_Atom_Count	20
53316418	Hydrogen_Bond_Donor_Count	0
3081	Covalent_Unit_Count	1
71872	Rotatable_Bond_Count	3
6477971	XLogP3-AA	4.1
5289501	XLogP3-AA	7.5
73246	Structure_Complexity	982
57417230	Non-hydrogen_Atom_Count	85
66261	Structure_Complexity	257
62475	Structure_Complexity	153
36582	Hydrogen_Bond_Donor_Count	0
527568	XLogP3-AA	2.5
20387216	Hydrogen_Bond_Donor_Count	0
2856977	Mono_Isotopic_Weight	247.132076794
205953	Structure_Complexity	570
13546	Molecular_Weight	114.14
26176	Total_Formal_Charge	0
6950248	Structure_Complexity	45.3
19792224	Hydrogen_Bond_Acceptor_Count	3
2723733	TPSA	200
24906119	Exact_Mass	420.11774960
33625	Exact_Mass	347.199762429
9541	Rotatable_Bond_Count	8
23729666	Hydrogen_Bond_Acceptor_Count	2
123963	Exact_Mass	204.089877630
8172	Exact_Mass	150.08920892
199402	Exact_Mass	1202.74992724
3032771	Hydrogen_Bond_Donor_Count	3
184495	Tautomer_Count	3
347475	Total_Formal_Charge	0
68432538	TPSA	18.5
25052023	Rotatable_Bond_Count	6
56665393	Undefined_Bond_Stereo_Count	0
81325	Non-hydrogen_Atom_Count	12
16211986	Rotatable_Bond_Count	1
54581861	Rotatable_Bond_Count	6
72200863	Defined_Atom_Stereo_Count	4
54180637	Defined_Bond_Stereo_Count	0
24802149	Mono_Isotopic_Weight	180.06338810
11526038	Molecular_Weight	490.5
2899204	Molecular_Weight	357.24
53465848	TPSA	59.2
5282203	Defined_Atom_Stereo_Count	0
5287541	Exact_Mass	309.06709375
69550	Exact_Mass	238.07020481
10890565	Structure_Complexity	288
71300746	Defined_Bond_Stereo_Count	0
5288674	Defined_Bond_Stereo_Count	3
62871	Undefined_Bond_Stereo_Count	0
81261	Undefined_Atom_Stereo_Count	0
6437377	Defined_Atom_Stereo_Count	3
681963	Molecular_Weight	257.33
67322	Exact_Mass	236.17360725
40523471	Mono_Isotopic_Weight	347.09397721
14720269	Mono_Isotopic_Weight	381.11230696
5284556	Mono_Isotopic_Weight	144.0341926
2279	Covalent_Unit_Count	1
4850	Covalent_Unit_Count	1
6437842	Hydrogen_Bond_Donor_Count	1
537677	Exact_Mass	100.03851076
163677749	XLogP3-AA	0.7
443158	Molecular_Weight	154.25
68711	Defined_Atom_Stereo_Count	0
10499446	Isotope_Atom_Count	0
9579578	Defined_Atom_Stereo_Count	1
692670	Structure_Complexity	432
44454985	Defined_Atom_Stereo_Count	1
44134949	Undefined_Bond_Stereo_Count	0
22476544	Undefined_Bond_Stereo_Count	0
11717001	Total_Formal_Charge	0
16048642	Isotope_Atom_Count	0
5284650	Undefined_Atom_Stereo_Count	0
23274061	Undefined_Bond_Stereo_Count	0
57558295	Hydrogen_Bond_Acceptor_Count	2
12068306	Isotope_Atom_Count	0
51092	Total_Formal_Charge	0
90915688	Mono_Isotopic_Weight	99.104799419
5939	Non-hydrogen_Atom_Count	7
47297	Defined_Atom_Stereo_Count	0
163316	Tautomer_Count	2
85557	Non-hydrogen_Atom_Count	14
68078	XLogP3-AA	4.7
12560918	Defined_Bond_Stereo_Count	0
150067	Defined_Atom_Stereo_Count	0
22967002	Total_Formal_Charge	0
474523	Defined_Bond_Stereo_Count	0
78440	Exact_Mass	362.09498026
126505488	Isotope_Atom_Count	0
71172	Defined_Bond_Stereo_Count	0
137254	Hydrogen_Bond_Acceptor_Count	2
11208	Mono_Isotopic_Weight	72.057514874
129630288	Total_Formal_Charge	0
4227	Hydrogen_Bond_Acceptor_Count	4
54267	Structure_Complexity	13.1
3745420	Undefined_Atom_Stereo_Count	0
147684232	Rotatable_Bond_Count	1
15256279	Defined_Bond_Stereo_Count	0
86231890	Molecular_Weight	110.15
261491	Isotope_Atom_Count	0
5723	Hydrogen_Bond_Acceptor_Count	6
9552077	Molecular_Weight	211.95
81480	Total_Formal_Charge	0
12307804	Covalent_Unit_Count	1
3057	Undefined_Atom_Stereo_Count	9
54143259	Mono_Isotopic_Weight	98.073164938
22675	Total_Formal_Charge	0
2010	Hydrogen_Bond_Acceptor_Count	18
17174	Isotope_Atom_Count	0
6519	Mono_Isotopic_Weight	719.710750
58387740	TPSA	9.2
9955116	Mono_Isotopic_Weight	444.20088463
55284719	Isotope_Atom_Count	0
23216963	Undefined_Atom_Stereo_Count	2
72139	Isotope_Atom_Count	0
40780	Rotatable_Bond_Count	12
6732	Exact_Mass	230.094294304
11722286	Covalent_Unit_Count	2
17997105	Defined_Atom_Stereo_Count	0
12828792	Rotatable_Bond_Count	2
30997	Total_Formal_Charge	0
2118	Exact_Mass	308.0828741
13356397	Total_Formal_Charge	0
20861	Non-hydrogen_Atom_Count	10
5311052	Non-hydrogen_Atom_Count	28
57952	Rotatable_Bond_Count	6
2775003	Undefined_Bond_Stereo_Count	0
125183303	Undefined_Atom_Stereo_Count	0
60196385	Mono_Isotopic_Weight	221.07791
3243871	Defined_Bond_Stereo_Count	0
1163242	XLogP3-AA	4.5
20774103	Undefined_Bond_Stereo_Count	0
81530	Non-hydrogen_Atom_Count	9
49868036	Rotatable_Bond_Count	26
72187525	Defined_Bond_Stereo_Count	5
14268486	Structure_Complexity	90.6
45488108	XLogP3-AA	3.6
787717	TPSA	79.4
25067547	Defined_Bond_Stereo_Count	0
9959269	Defined_Bond_Stereo_Count	0
19940	Total_Formal_Charge	0
121396	Defined_Atom_Stereo_Count	1
91399390	Covalent_Unit_Count	1
32940	Mono_Isotopic_Weight	287.0825398
44392111	Exact_Mass	485.26784199
369401	Molecular_Weight	248.28
4996851	XLogP3-AA	0.7
107670	Defined_Atom_Stereo_Count	11
54688	Covalent_Unit_Count	1
753050	Defined_Bond_Stereo_Count	0
10378	Structure_Complexity	185
15084312	Molecular_Weight	100.12
2495	Hydrogen_Bond_Acceptor_Count	7
21323	Tautomer_Count	3
68510675	Hydrogen_Bond_Donor_Count	2
6410758	Molecular_Weight	462.5
688020	TPSA	20.3
10061	Molecular_Weight	386.5
24877326	Isotope_Atom_Count	0
9793773	Undefined_Bond_Stereo_Count	0
7896	Undefined_Atom_Stereo_Count	1
136726	Defined_Bond_Stereo_Count	0
135421876	Non-hydrogen_Atom_Count	10
12894	Exact_Mass	267.06776246
2723598	Hydrogen_Bond_Donor_Count	3
3052776	Undefined_Bond_Stereo_Count	0
98493	Defined_Atom_Stereo_Count	0
5205	Hydrogen_Bond_Acceptor_Count	1
70693548	Non-hydrogen_Atom_Count	170
60195904	Isotope_Atom_Count	0
5353521	Isotope_Atom_Count	0
72023	Covalent_Unit_Count	1
23080446	Mono_Isotopic_Weight	605.27458459
20465	Tautomer_Count	3
67248938	Total_Formal_Charge	0
34633	Isotope_Atom_Count	0
93301	Undefined_Bond_Stereo_Count	0
15475335	Molecular_Weight	112.13
54344827	Defined_Bond_Stereo_Count	0
38286	Tautomer_Count	2
159871	Exact_Mass	314.0491912
154081962	Defined_Bond_Stereo_Count	0
140606019	Undefined_Atom_Stereo_Count	1
129010331	Covalent_Unit_Count	1
47445	Covalent_Unit_Count	1
57461922	Hydrogen_Bond_Acceptor_Count	2
7350	Total_Formal_Charge	0
87035	Exact_Mass	192.126263138
522325	Defined_Atom_Stereo_Count	0
14139322	Hydrogen_Bond_Acceptor_Count	1
86472	Defined_Bond_Stereo_Count	0
69561	Hydrogen_Bond_Donor_Count	3
57392965	Hydrogen_Bond_Acceptor_Count	7
94603	Molecular_Weight	230.3
11586912	TPSA	114
85912645	TPSA	32.8
162883449	Rotatable_Bond_Count	6
439998	Molecular_Weight	290.27
18032	TPSA	74.9
124075	Tautomer_Count	1
9543216	Hydrogen_Bond_Acceptor_Count	4
20639618	TPSA	0
6785	Molecular_Weight	280.27
32468	Defined_Atom_Stereo_Count	0
39272	Total_Formal_Charge	0
70684819	Undefined_Bond_Stereo_Count	0
1473879	Defined_Bond_Stereo_Count	0
566545	Tautomer_Count	1
63134	TPSA	32.7
42865	Hydrogen_Bond_Donor_Count	2
24812	Hydrogen_Bond_Donor_Count	0
8107	Non-hydrogen_Atom_Count	7
11269	Undefined_Atom_Stereo_Count	0
9264	Undefined_Atom_Stereo_Count	0
11396600	Defined_Atom_Stereo_Count	5
64930	Exact_Mass	639.37711765
4633	Hydrogen_Bond_Acceptor_Count	5
21831691	Undefined_Bond_Stereo_Count	0
3811882	XLogP3-AA	0.9
6977134	Non-hydrogen_Atom_Count	14
6444037	Rotatable_Bond_Count	22
12285877	Undefined_Atom_Stereo_Count	0
9881504	Non-hydrogen_Atom_Count	19
9871419	Exact_Mass	522.18608089
65092	TPSA	34.5
15109863	Total_Formal_Charge	0
8200	Structure_Complexity	78.6
67873	Defined_Bond_Stereo_Count	0
3531736	Hydrogen_Bond_Donor_Count	3
55288089	Mono_Isotopic_Weight	111.068413911
12576155	Isotope_Atom_Count	0
13388558	Mono_Isotopic_Weight	310.0212875
13570516	Covalent_Unit_Count	1
6419807	Isotope_Atom_Count	0
7483	XLogP3	2
133109195	Structure_Complexity	1150
4369563	Hydrogen_Bond_Donor_Count	2
16008685	Total_Formal_Charge	0
54368808	Mono_Isotopic_Weight	109.052763847
13524524	Isotope_Atom_Count	0
445501	XLogP3-AA	3.1
12304613	Mono_Isotopic_Weight	152.120115130
60749	Rotatable_Bond_Count	2
101744	Non-hydrogen_Atom_Count	22
21930923	TPSA	56.5
24813	Defined_Atom_Stereo_Count	0
59883	Hydrogen_Bond_Donor_Count	1
5311498	Defined_Bond_Stereo_Count	3
102678	Total_Formal_Charge	0
599202	Undefined_Atom_Stereo_Count	0
11715	Molecular_Weight	136.98
824336	Hydrogen_Bond_Acceptor_Count	5
60196367	Molecular_Weight	453.5
104	Defined_Atom_Stereo_Count	0
493	Hydrogen_Bond_Acceptor_Count	21
11548000	Molecular_Weight	510.7
83224	Mono_Isotopic_Weight	214.15689456
9906	Covalent_Unit_Count	1
129821327	Total_Formal_Charge	0
1382059	Undefined_Bond_Stereo_Count	0
19001	Tautomer_Count	1
13594	Tautomer_Count	5
104181	Hydrogen_Bond_Donor_Count	1
20157043	Rotatable_Bond_Count	0
530422	Covalent_Unit_Count	1
90125683	XLogP3-AA	2.4
22162	Undefined_Atom_Stereo_Count	1
23581798	Undefined_Bond_Stereo_Count	0
75905	Hydrogen_Bond_Donor_Count	1
4092621	Hydrogen_Bond_Acceptor_Count	3
11815279	Rotatable_Bond_Count	2
60740	Hydrogen_Bond_Acceptor_Count	2
2356	Total_Formal_Charge	0
70684	Total_Formal_Charge	0
8390	Hydrogen_Bond_Donor_Count	1
129864962	Exact_Mass	322.11398438
21537113	Structure_Complexity	98.2
11328	Structure_Complexity	150
9925544	Defined_Bond_Stereo_Count	1
85779440	Hydrogen_Bond_Donor_Count	0
44134719	Hydrogen_Bond_Donor_Count	5
4377	Hydrogen_Bond_Donor_Count	2
731747	Hydrogen_Bond_Acceptor_Count	5
23847	Undefined_Bond_Stereo_Count	0
3005587	Rotatable_Bond_Count	0
524655	Mono_Isotopic_Weight	98.109550447
69288	Non-hydrogen_Atom_Count	18
30959	Defined_Atom_Stereo_Count	0
3009	Mono_Isotopic_Weight	182.08668395
47499	Exact_Mass	520.10124741
118388029	Undefined_Bond_Stereo_Count	0
60144418	Mono_Isotopic_Weight	326.01951273
4332	Hydrogen_Bond_Acceptor_Count	4
73124	Rotatable_Bond_Count	3
33294	TPSA	60.8
148177	Hydrogen_Bond_Donor_Count	0
30437	Undefined_Bond_Stereo_Count	0
391136	Isotope_Atom_Count	0
3049771	Hydrogen_Bond_Acceptor_Count	4
13761354	Undefined_Atom_Stereo_Count	1
6602383	Defined_Atom_Stereo_Count	5
117569444	Mono_Isotopic_Weight	100.100048391
18759351	Undefined_Bond_Stereo_Count	0
162681560	Non-hydrogen_Atom_Count	8
16051586	Molecular_Weight	394.5
9418	Covalent_Unit_Count	2
62485	TPSA	50.9
13808289	Undefined_Bond_Stereo_Count	0
12519677	Rotatable_Bond_Count	1
199543	Isotope_Atom_Count	0
17178037	Total_Formal_Charge	0
17392	Non-hydrogen_Atom_Count	27
11527282	Exact_Mass	604.25981710
66714960	Mono_Isotopic_Weight	183.05449518
142834	Undefined_Atom_Stereo_Count	0
13351229	Mono_Isotopic_Weight	100.063662883
135464373	Hydrogen_Bond_Acceptor_Count	5
78609	Rotatable_Bond_Count	10
8250	Structure_Complexity	303
21584622	Non-hydrogen_Atom_Count	47
7053	Defined_Atom_Stereo_Count	0
14103059	Molecular_Weight	897.2
23702994	Molecular_Weight	719.7
58196257	Isotope_Atom_Count	0
2719	Hydrogen_Bond_Acceptor_Count	3
5280784	Covalent_Unit_Count	1
101417708	Undefined_Bond_Stereo_Count	0
57429034	Structure_Complexity	97.2
54582513	XLogP3-AA	4.1
57565875	Non-hydrogen_Atom_Count	7
53323370	Exact_Mass	498.1113126
149784	Hydrogen_Bond_Donor_Count	2
67810472	Covalent_Unit_Count	1
32924	Non-hydrogen_Atom_Count	11
67832	Mono_Isotopic_Weight	202.00287536
2237	Covalent_Unit_Count	1
268370	Hydrogen_Bond_Acceptor_Count	6
82418987	Isotope_Atom_Count	0
71464652	Hydrogen_Bond_Donor_Count	2
45190	Total_Formal_Charge	0
123963	Defined_Atom_Stereo_Count	0
57328384	Isotope_Atom_Count	0
74370	Defined_Atom_Stereo_Count	0
6918580	Undefined_Atom_Stereo_Count	2
9955116	Non-hydrogen_Atom_Count	32
69851796	Covalent_Unit_Count	1
5388961	Structure_Complexity	638
175512	Rotatable_Bond_Count	8
49862461	Hydrogen_Bond_Donor_Count	1
53595	Hydrogen_Bond_Donor_Count	2
3055168	Covalent_Unit_Count	1
123178351	Hydrogen_Bond_Acceptor_Count	1
3588	TPSA	118
53704432	Exact_Mass	116.083729621
65905	Exact_Mass	323.19573968
5311360	Undefined_Atom_Stereo_Count	0
73386890	Rotatable_Bond_Count	8
83864777	Non-hydrogen_Atom_Count	8
22154890	XLogP3-AA	2.3
69550	Total_Formal_Charge	0
55291579	Total_Formal_Charge	0
601401	Hydrogen_Bond_Donor_Count	0
132279500	Structure_Complexity	99.2
18736933	Defined_Bond_Stereo_Count	0
11106352	Undefined_Bond_Stereo_Count	0
64973752	Structure_Complexity	71.4
145454105	Hydrogen_Bond_Acceptor_Count	8
13384041	Rotatable_Bond_Count	5
53507	Undefined_Atom_Stereo_Count	0
7761	Tautomer_Count	1
9595290	Undefined_Bond_Stereo_Count	0
12951488	Isotope_Atom_Count	0
116047519	Total_Formal_Charge	0
9796068	TPSA	88.9
54567	Total_Formal_Charge	0
868	Mono_Isotopic_Weight	88.016043985
137553932	Undefined_Atom_Stereo_Count	0
13814319	Structure_Complexity	53.2
57404185	Hydrogen_Bond_Donor_Count	1
12536263	TPSA	67.2
54887	Hydrogen_Bond_Donor_Count	4
442882	Non-hydrogen_Atom_Count	27
6083100	Rotatable_Bond_Count	2
54582797	Defined_Atom_Stereo_Count	0
22563	Total_Formal_Charge	0
105746	Structure_Complexity	148
117781134	Molecular_Weight	196.29
57952	Molecular_Weight	380.4
141167	Defined_Bond_Stereo_Count	0
5324720	Tautomer_Count	3
5464355	Undefined_Bond_Stereo_Count	0
25150753	Molecular_Weight	356.4
49800000	Undefined_Atom_Stereo_Count	1
5365748	Undefined_Atom_Stereo_Count	0
83086	Mono_Isotopic_Weight	75.032028402
7466	Hydrogen_Bond_Acceptor_Count	1
21365956	Mono_Isotopic_Weight	281.12766012
16049160	XLogP3-AA	2.9
129980649	Hydrogen_Bond_Acceptor_Count	2
68099571	Covalent_Unit_Count	1
1504097	Non-hydrogen_Atom_Count	8
98207156	Undefined_Atom_Stereo_Count	0
656842	Structure_Complexity	629
73292	Isotope_Atom_Count	0
12298558	Covalent_Unit_Count	1
71453749	XLogP3-AA	3.6
20521861	Hydrogen_Bond_Donor_Count	1
130471	Non-hydrogen_Atom_Count	26
54715668	Mono_Isotopic_Weight	188.94254
20617585	Non-hydrogen_Atom_Count	7
11263492	TPSA	9.2
866400	Covalent_Unit_Count	1
12892785	Isotope_Atom_Count	0
5789	Rotatable_Bond_Count	2
56120	Exact_Mass	292.0017622
10903	Defined_Bond_Stereo_Count	0
114839	Undefined_Atom_Stereo_Count	0
9864202	Structure_Complexity	490
135398670	Undefined_Atom_Stereo_Count	0
216261	XLogP3-AA	4.7
20317822	Covalent_Unit_Count	1
7282	Undefined_Atom_Stereo_Count	0
821629	Rotatable_Bond_Count	2
163921573	Isotope_Atom_Count	0
73820465	Hydrogen_Bond_Donor_Count	2
14909248	Total_Formal_Charge	0
163321054	TPSA	441
3392711	Undefined_Atom_Stereo_Count	0
38350	Total_Formal_Charge	0
58186	Undefined_Bond_Stereo_Count	0
58097518	Exact_Mass	98.036779430
11115809	Undefined_Bond_Stereo_Count	0
7979	Covalent_Unit_Count	1
6538998	Rotatable_Bond_Count	10
124809078	Isotope_Atom_Count	0
5381214	Undefined_Bond_Stereo_Count	0
117659387	Undefined_Atom_Stereo_Count	2
143289	Hydrogen_Bond_Acceptor_Count	5
3037914	Hydrogen_Bond_Acceptor_Count	5
182139	Structure_Complexity	89.1
641248	Molecular_Weight	100.16
44129647	Defined_Bond_Stereo_Count	0
545127	Covalent_Unit_Count	1
5496539	Covalent_Unit_Count	1
88462	Covalent_Unit_Count	1
87426124	Isotope_Atom_Count	0
167195	Structure_Complexity	0
84063983	Hydrogen_Bond_Acceptor_Count	2
1960	Undefined_Bond_Stereo_Count	0
56972736	Isotope_Atom_Count	0
11062806	Exact_Mass	168.162648646
54582822	Undefined_Bond_Stereo_Count	0
28315	Defined_Bond_Stereo_Count	0
36688091	Mono_Isotopic_Weight	191.11441535
3871	Molecular_Weight	344.31
53387035	Covalent_Unit_Count	1
75987156	Hydrogen_Bond_Donor_Count	2
55287849	Molecular_Weight	99.13
102752	TPSA	17.1
13379559	Defined_Atom_Stereo_Count	0
11789176	Undefined_Bond_Stereo_Count	0
58777015	Hydrogen_Bond_Donor_Count	4
44559553	Total_Formal_Charge	0
62817	Hydrogen_Bond_Acceptor_Count	2
3017661	Defined_Atom_Stereo_Count	0
6335986	Hydrogen_Bond_Acceptor_Count	11
12400482	Exact_Mass	112.088815002
46202081	Non-hydrogen_Atom_Count	32
11457675	XLogP3-AA	0.7
524647	Undefined_Atom_Stereo_Count	2
19490	Undefined_Bond_Stereo_Count	0
10557575	Rotatable_Bond_Count	16
164164517	Exact_Mass	99.068413911
72604488	Non-hydrogen_Atom_Count	7
57286108	Undefined_Atom_Stereo_Count	0
10346039	Defined_Atom_Stereo_Count	7
20097868	Rotatable_Bond_Count	2
899	Molecular_Weight	221.21
4	Defined_Bond_Stereo_Count	0
5371993	Undefined_Atom_Stereo_Count	6
21954776	TPSA	55.4
559645	Non-hydrogen_Atom_Count	8
700611	Structure_Complexity	326
98032	Molecular_Weight	238.28
198707	Tautomer_Count	2
5281167	Hydrogen_Bond_Acceptor_Count	1
48362	Covalent_Unit_Count	1
9868580	Hydrogen_Bond_Acceptor_Count	4
42373	Tautomer_Count	4
56859	Mono_Isotopic_Weight	320.20999276
7124	Undefined_Atom_Stereo_Count	0
10176216	Non-hydrogen_Atom_Count	4
64819	Defined_Bond_Stereo_Count	0
201734	Hydrogen_Bond_Acceptor_Count	3
79316	Defined_Atom_Stereo_Count	0
631271	Mono_Isotopic_Weight	344.10956770
14890212	Undefined_Bond_Stereo_Count	0
13362	Tautomer_Count	2
66678	Hydrogen_Bond_Donor_Count	1
5281951	Undefined_Atom_Stereo_Count	0
22833321	XLogP3-AA	4.7
9552081	Total_Formal_Charge	0
119202	Molecular_Weight	388.5
164511488	Hydrogen_Bond_Donor_Count	4
9967055	Molecular_Weight	324.4
18645875	Isotope_Atom_Count	0
4062	Mono_Isotopic_Weight	246.173213330
6196	Structure_Complexity	681
9966051	XLogP3-AA	4.2
13684986	Total_Formal_Charge	0
636399	Undefined_Atom_Stereo_Count	1
75068	Non-hydrogen_Atom_Count	7
24764	Defined_Atom_Stereo_Count	0
12869982	Hydrogen_Bond_Acceptor_Count	1
7802604	Defined_Atom_Stereo_Count	0
33474	Hydrogen_Bond_Acceptor_Count	3
5464111	TPSA	139
69401	Covalent_Unit_Count	2
134497	Structure_Complexity	179
71403949	Structure_Complexity	394
98633	Isotope_Atom_Count	0
13593925	Covalent_Unit_Count	1
10267	Rotatable_Bond_Count	6
10161315	XLogP3-AA	4.5
19791624	XLogP3-AA	0.7
17779	Total_Formal_Charge	0
53464	XLogP3	3.7
122308	Defined_Atom_Stereo_Count	0
31923	Exact_Mass	341.283098129
93147	Undefined_Atom_Stereo_Count	0
853863	Molecular_Weight	296.1
33710	XLogP3-AA	15.771
55245	XLogP3-AA	3.8
31275	Exact_Mass	88.052429494
2797	Molecular_Weight	214.64
160765	Mono_Isotopic_Weight	120.02450067
136657690	Hydrogen_Bond_Donor_Count	4
23674995	Non-hydrogen_Atom_Count	33
528917	Hydrogen_Bond_Donor_Count	0
135410914	Hydrogen_Bond_Acceptor_Count	2
7403	Structure_Complexity	183
71541190	Defined_Atom_Stereo_Count	1
117569444	Hydrogen_Bond_Acceptor_Count	2
138404422	Undefined_Bond_Stereo_Count	0
4693	Mono_Isotopic_Weight	776.31382363
616236	Defined_Atom_Stereo_Count	0
60195813	Isotope_Atom_Count	0
22603659	Undefined_Bond_Stereo_Count	0
15766	Covalent_Unit_Count	1
11954369	Mono_Isotopic_Weight	394.19556569
5478927	Hydrogen_Bond_Donor_Count	0
10753	Undefined_Bond_Stereo_Count	0
7655	XLogP3	3.3
5281033	Isotope_Atom_Count	0
101497	Total_Formal_Charge	0
85056	Hydrogen_Bond_Donor_Count	0
7808	Tautomer_Count	2
54580	Mono_Isotopic_Weight	500.18442974
3823887	Undefined_Bond_Stereo_Count	0
4397	Structure_Complexity	509
9548714	Mono_Isotopic_Weight	414.422551722
68137	Exact_Mass	180.04225873
11182	Undefined_Bond_Stereo_Count	0
18137	Structure_Complexity	134
12248	Covalent_Unit_Count	1
163872484	TPSA	279
20587905	Defined_Atom_Stereo_Count	0
58125082	Exact_Mass	109.063997236
8553	Undefined_Bond_Stereo_Count	0
21262	Total_Formal_Charge	0
6332110	Defined_Atom_Stereo_Count	0
87458296	Hydrogen_Bond_Donor_Count	0
91230338	Mono_Isotopic_Weight	110.109550447
53810451	Structure_Complexity	80.1
9445	Structure_Complexity	186
439750	Hydrogen_Bond_Donor_Count	2
46317	Rotatable_Bond_Count	15
23680486	Rotatable_Bond_Count	7
21642	Isotope_Atom_Count	0
12102501	Undefined_Atom_Stereo_Count	0
8411	TPSA	70.5
1341	XLogP3-AA	3.3
115305	Hydrogen_Bond_Donor_Count	2
77998	Hydrogen_Bond_Donor_Count	3
23520950	Non-hydrogen_Atom_Count	8
13522	Rotatable_Bond_Count	8
4060	XLogP3-AA	1.5
95809	Molecular_Weight	403.7
135566433	Structure_Complexity	557
9919910	Structure_Complexity	2080
22648408	Hydrogen_Bond_Donor_Count	2
12009213	Hydrogen_Bond_Donor_Count	0
15148131	Molecular_Weight	272.73
347590	Hydrogen_Bond_Donor_Count	1
5282200	Hydrogen_Bond_Donor_Count	10
13939	Structure_Complexity	87
70969	TPSA	26
71857	Hydrogen_Bond_Acceptor_Count	7
16564	XLogP3-AA	0.2
68476	Rotatable_Bond_Count	0
134973	TPSA	15.3
2449	Tautomer_Count	127
68669	Isotope_Atom_Count	0
559009	Molecular_Weight	100.16
85026	Defined_Atom_Stereo_Count	0
4940	Tautomer_Count	2
12225304	Undefined_Bond_Stereo_Count	0
139032508	Defined_Atom_Stereo_Count	0
75789	Non-hydrogen_Atom_Count	11
519449	Defined_Bond_Stereo_Count	0
64040	Undefined_Atom_Stereo_Count	0
10975405	Molecular_Weight	85.10
46724	XLogP3-AA	2.6
68602	Exact_Mass	200.131348519
6361	Isotope_Atom_Count	0
4969	Tautomer_Count	10
167685	Rotatable_Bond_Count	5
52921886	Undefined_Atom_Stereo_Count	0
128882	Mono_Isotopic_Weight	506.99574658
133066	Hydrogen_Bond_Acceptor_Count	2
14325614	Exact_Mass	105.078978594
88483	Undefined_Bond_Stereo_Count	0
9250	Covalent_Unit_Count	1
21622656	Undefined_Atom_Stereo_Count	0
12977	TPSA	38.7
135992859	Isotope_Atom_Count	0
3282	Exact_Mass	165.078978594
6015	Defined_Atom_Stereo_Count	0
16406	Non-hydrogen_Atom_Count	23
26890	Rotatable_Bond_Count	7
10405997	Exact_Mass	356.23514488
21997068	Mono_Isotopic_Weight	102.115698455
68681268	Isotope_Atom_Count	0
538141	TPSA	35.3
890907	Molecular_Weight	250.29
15620	Rotatable_Bond_Count	4
67568	Defined_Atom_Stereo_Count	0
9963056	Exact_Mass	954.42962397
11500877	XLogP3-AA	3
16822	TPSA	49.7
57461922	Undefined_Bond_Stereo_Count	0
2723790	Molecular_Weight	76.12
426756	Undefined_Bond_Stereo_Count	0
118705388	Exact_Mass	460.1565488
643835	Exact_Mass	84.093900383
91180913	Covalent_Unit_Count	1
6058	Rotatable_Bond_Count	1
62504	TPSA	49.8
10887879	Total_Formal_Charge	0
46885189	XLogP3-AA	3
8168	Non-hydrogen_Atom_Count	15
5877292	TPSA	26.3
84715968	Non-hydrogen_Atom_Count	7
13757963	Rotatable_Bond_Count	0
41037	Exact_Mass	346.0826531
16058752	Hydrogen_Bond_Acceptor_Count	9
7566942	TPSA	190
10909485	Defined_Atom_Stereo_Count	0
7111	Isotope_Atom_Count	0
19707	Defined_Atom_Stereo_Count	0
10485	Undefined_Bond_Stereo_Count	0
86830	Total_Formal_Charge	1
71718495	Hydrogen_Bond_Donor_Count	2
42586	Undefined_Atom_Stereo_Count	1
62016	Rotatable_Bond_Count	14
11386747	TPSA	79.4
3788	Undefined_Bond_Stereo_Count	1
13220626	Undefined_Bond_Stereo_Count	0
15420544	Exact_Mass	254.094294304
441035	Molecular_Weight	180.16
13382623	Exact_Mass	106.053098200
18358	Defined_Bond_Stereo_Count	0
11749756	Defined_Bond_Stereo_Count	0
819269	Undefined_Bond_Stereo_Count	0
818256	Undefined_Bond_Stereo_Count	0
101050964	Undefined_Atom_Stereo_Count	2
72253	Total_Formal_Charge	0
155290	Hydrogen_Bond_Acceptor_Count	2
65492	Defined_Atom_Stereo_Count	1
27435	Defined_Atom_Stereo_Count	0
114869	TPSA	90.4
12598086	Hydrogen_Bond_Donor_Count	5
251143	Rotatable_Bond_Count	1
441082	Hydrogen_Bond_Donor_Count	0
656837	Defined_Bond_Stereo_Count	0
16329	Exact_Mass	231.98876
5362772	Defined_Atom_Stereo_Count	0
100915014	Structure_Complexity	207
22129000	Covalent_Unit_Count	1
40637217	Isotope_Atom_Count	0
10240761	Non-hydrogen_Atom_Count	6
5366352	XLogP3-AA	2.6
4740	Hydrogen_Bond_Acceptor_Count	4
890070	Rotatable_Bond_Count	3
66025	Mono_Isotopic_Weight	151.063328530
3081743	Total_Formal_Charge	0
139084136	Total_Formal_Charge	0
7251	Isotope_Atom_Count	0
1251	Defined_Atom_Stereo_Count	0
44125988	XLogP3-AA	2.6
705487	XLogP3-AA	4.4
59696370	Defined_Atom_Stereo_Count	0
747268	Rotatable_Bond_Count	3
123835510	Isotope_Atom_Count	0
88941292	Undefined_Atom_Stereo_Count	0
3034372	Total_Formal_Charge	0
154518370	Total_Formal_Charge	0
13224	XLogP3	2.3
9548619	Isotope_Atom_Count	0
6441388	TPSA	127
30930	Structure_Complexity	83.7
44590402	Non-hydrogen_Atom_Count	29
4277	Covalent_Unit_Count	1
78933	Non-hydrogen_Atom_Count	25
92839	TPSA	29.5
256019	Non-hydrogen_Atom_Count	14
93074	Covalent_Unit_Count	1
99411	Total_Formal_Charge	0
5372813	Undefined_Atom_Stereo_Count	0
50895	Mono_Isotopic_Weight	361.0328700
8986	Tautomer_Count	1
4538	Undefined_Bond_Stereo_Count	0
19633	Defined_Bond_Stereo_Count	0
543881	Hydrogen_Bond_Acceptor_Count	1
12318317	Hydrogen_Bond_Donor_Count	0
15412	Total_Formal_Charge	0
24848260	Hydrogen_Bond_Acceptor_Count	2
3506	Covalent_Unit_Count	1
22385449	Defined_Atom_Stereo_Count	0
67535	Defined_Bond_Stereo_Count	0
16129706	Covalent_Unit_Count	1
45357796	Undefined_Atom_Stereo_Count	0
126627233	Structure_Complexity	62.5
158796	Rotatable_Bond_Count	7
6064	Structure_Complexity	875
46304	Defined_Bond_Stereo_Count	0
8438	Mono_Isotopic_Weight	150.031694049
57403815	Total_Formal_Charge	0
705672	Total_Formal_Charge	0
3045414	Exact_Mass	243.1026065
23670359	Isotope_Atom_Count	0
86583	Structure_Complexity	257
135349	Molecular_Weight	465.4
2724275	Undefined_Bond_Stereo_Count	0
968609	Rotatable_Bond_Count	4
449171	Defined_Atom_Stereo_Count	0
16366	Rotatable_Bond_Count	0
66615606	Molecular_Weight	514.0
1647	Defined_Bond_Stereo_Count	0
46587	Mono_Isotopic_Weight	253.15521754
67488	Defined_Bond_Stereo_Count	0
70119	Mono_Isotopic_Weight	185.96803
13015037	Hydrogen_Bond_Acceptor_Count	6
2202	Structure_Complexity	287
595999	Isotope_Atom_Count	0
91400094	Hydrogen_Bond_Acceptor_Count	3
162501	Exact_Mass	321.07258686
132939820	TPSA	110
12336305	Rotatable_Bond_Count	0
56765705	Hydrogen_Bond_Donor_Count	1
92041	Hydrogen_Bond_Donor_Count	1
66575068	TPSA	276
46477	Rotatable_Bond_Count	1
168381	Defined_Atom_Stereo_Count	1
70355	Non-hydrogen_Atom_Count	15
415868	Undefined_Atom_Stereo_Count	2
5311309	Exact_Mass	317.19909372
23663953	Mono_Isotopic_Weight	458.1043004
53987564	Hydrogen_Bond_Donor_Count	2
74041114	Covalent_Unit_Count	1
9548801	Defined_Atom_Stereo_Count	10
6450232	Isotope_Atom_Count	0
10029970	Undefined_Atom_Stereo_Count	1
72913	Undefined_Atom_Stereo_Count	0
74995	Mono_Isotopic_Weight	210.079312947
8692	Isotope_Atom_Count	0
9908880	Undefined_Bond_Stereo_Count	0
13561	Non-hydrogen_Atom_Count	12
11857377	Molecular_Weight	244.25
132420	Hydrogen_Bond_Donor_Count	2
14970	Hydrogen_Bond_Donor_Count	20
123799979	Rotatable_Bond_Count	0
6440352	Non-hydrogen_Atom_Count	43
2781329	Non-hydrogen_Atom_Count	8
23668479	Exact_Mass	482.11162741
137798	Mono_Isotopic_Weight	166.08162162
17898580	Non-hydrogen_Atom_Count	7
84954	Structure_Complexity	440
6445230	Non-hydrogen_Atom_Count	35
23695767	Covalent_Unit_Count	2
134160331	TPSA	21.7
6604889	Hydrogen_Bond_Donor_Count	1
5318	TPSA	43.1
1533	Hydrogen_Bond_Acceptor_Count	2
46173707	Total_Formal_Charge	0
9873570	XLogP3-AA	3.7
47289	TPSA	62.6
75055	Defined_Atom_Stereo_Count	0
20752353	TPSA	12.5
97226	Undefined_Bond_Stereo_Count	0
4868	Isotope_Atom_Count	0
12654270	Structure_Complexity	101
7529	Isotope_Atom_Count	0
58044790	Undefined_Atom_Stereo_Count	0
9548801	Total_Formal_Charge	0
44349142	Total_Formal_Charge	0
28459	Non-hydrogen_Atom_Count	12
6917793	TPSA	176
11332423	Undefined_Bond_Stereo_Count	0
19601937	XLogP3-AA	14.6
500	Hydrogen_Bond_Donor_Count	3
146680	TPSA	109
12936897	Undefined_Atom_Stereo_Count	1
1023	Hydrogen_Bond_Donor_Count	4
3035406	Structure_Complexity	1900
11858154	Total_Formal_Charge	0
21887872	Rotatable_Bond_Count	0
12787246	Defined_Bond_Stereo_Count	0
11957587	Defined_Atom_Stereo_Count	20
84461	Tautomer_Count	2
70280758	Exact_Mass	443.19911098
125134	Hydrogen_Bond_Acceptor_Count	4
63855	Undefined_Atom_Stereo_Count	0
154342062	Undefined_Atom_Stereo_Count	2
71406	Non-hydrogen_Atom_Count	41
3680	Rotatable_Bond_Count	4
4875	Molecular_Weight	166.0028
18555	Defined_Bond_Stereo_Count	0
65914	Tautomer_Count	4
1753	Defined_Atom_Stereo_Count	0
117059122	Molecular_Weight	288.31
16760503	Isotope_Atom_Count	0
122214398	Undefined_Bond_Stereo_Count	0
862	Exact_Mass	1404.85396239
3129049	Structure_Complexity	216
84614	Molecular_Weight	269.29
135398593	Non-hydrogen_Atom_Count	18
3702	Tautomer_Count	2
11957463	Structure_Complexity	576
54729367	Total_Formal_Charge	0
17755248	Undefined_Atom_Stereo_Count	0
1519	Undefined_Atom_Stereo_Count	4
941915	Rotatable_Bond_Count	1
10446567	XLogP3-AA	2.9
8543	Non-hydrogen_Atom_Count	19
25875	Total_Formal_Charge	0
9571009	Exact_Mass	222.06742811
232838	TPSA	60.8
5648	Undefined_Atom_Stereo_Count	2
73351	TPSA	167
135398627	Isotope_Atom_Count	0
67598	Mono_Isotopic_Weight	203.99826287
10047003	Non-hydrogen_Atom_Count	28
9847	Total_Formal_Charge	0
25192277	Hydrogen_Bond_Acceptor_Count	7
3264	Exact_Mass	356.19875937
40478	Hydrogen_Bond_Donor_Count	0
60202781	Mono_Isotopic_Weight	700.39751874
11909	Covalent_Unit_Count	1
6454774	Total_Formal_Charge	0
14380	Covalent_Unit_Count	1
515574	Structure_Complexity	194
102025584	Defined_Atom_Stereo_Count	10
61177	Undefined_Bond_Stereo_Count	0
318911	Total_Formal_Charge	0
91849037	TPSA	190
23672064	Undefined_Bond_Stereo_Count	0
23892	Isotope_Atom_Count	0
130038395	Mono_Isotopic_Weight	124.02483259
20770500	Rotatable_Bond_Count	1
9953769	Hydrogen_Bond_Donor_Count	1
50923	Undefined_Bond_Stereo_Count	0
41191	Defined_Atom_Stereo_Count	0
44310781	Covalent_Unit_Count	1
5283454	Mono_Isotopic_Weight	325.298079487
10704	Total_Formal_Charge	0
53762932	Undefined_Bond_Stereo_Count	0
249332	TPSA	254
555192	Hydrogen_Bond_Donor_Count	2
8141	Total_Formal_Charge	0
51003564	Molecular_Weight	256.30
13387	Rotatable_Bond_Count	0
20883	Defined_Bond_Stereo_Count	0
54	Undefined_Atom_Stereo_Count	6
32241	Covalent_Unit_Count	1
5281224	Defined_Bond_Stereo_Count	9
517072	TPSA	49.4
492	Total_Formal_Charge	0
92253	Non-hydrogen_Atom_Count	21
72163100	Isotope_Atom_Count	0
58714	Exact_Mass	197.116426730
65108	Structure_Complexity	274
25070195	Structure_Complexity	536
71584166	TPSA	107
148931547	Exact_Mass	1201.84136802
11906	Total_Formal_Charge	0
19987011	Structure_Complexity	125
35801	Total_Formal_Charge	0
16654936	Exact_Mass	542.1853503
17277	TPSA	92.8
157736	Non-hydrogen_Atom_Count	22
8705	Hydrogen_Bond_Donor_Count	1
4141522	Structure_Complexity	149
136101	Structure_Complexity	76.2
19768890	Total_Formal_Charge	0
131748870	Molecular_Weight	69.86
9863672	Rotatable_Bond_Count	2
93462	Defined_Atom_Stereo_Count	0
70690637	Non-hydrogen_Atom_Count	31
3476986	Hydrogen_Bond_Donor_Count	1
20689	Covalent_Unit_Count	1
507806	Total_Formal_Charge	0
10026	XLogP3-AA	1.8
9863776	TPSA	113
2225	Molecular_Weight	388.4
6914	Defined_Bond_Stereo_Count	0
64487	Total_Formal_Charge	0
445063	Structure_Complexity	403
153088	Hydrogen_Bond_Acceptor_Count	5
138106951	Mono_Isotopic_Weight	803.48197664
158698	Rotatable_Bond_Count	5
136411580	Hydrogen_Bond_Donor_Count	5
11046239	Hydrogen_Bond_Acceptor_Count	6
1946	Covalent_Unit_Count	1
12629	Molecular_Weight	416.5
47824	Defined_Atom_Stereo_Count	0
123558404	Rotatable_Bond_Count	1
9798547	Structure_Complexity	482
13624278	Hydrogen_Bond_Acceptor_Count	3
5320	Isotope_Atom_Count	0
148763531	Undefined_Bond_Stereo_Count	0
71438255	Undefined_Atom_Stereo_Count	0
86278368	Exact_Mass	790.20636393
45784923	Covalent_Unit_Count	1
9889823	Hydrogen_Bond_Donor_Count	2
44211	Defined_Atom_Stereo_Count	0
12754185	Mono_Isotopic_Weight	111.104799419
28639	Mono_Isotopic_Weight	114.104465066
30921	Defined_Atom_Stereo_Count	0
12333	Hydrogen_Bond_Donor_Count	0
95946	Hydrogen_Bond_Donor_Count	2
129662986	Defined_Bond_Stereo_Count	0
7722	Non-hydrogen_Atom_Count	9
60822	Isotope_Atom_Count	0
6435801	Exact_Mass	250.07185858
561376	Isotope_Atom_Count	0
122174240	Structure_Complexity	529
16280	Structure_Complexity	212
458096	Isotope_Atom_Count	0
6438712	XLogP3-AA	3
31903	Undefined_Bond_Stereo_Count	0
57484	Undefined_Atom_Stereo_Count	0
44327552	Structure_Complexity	234
7601	Hydrogen_Bond_Acceptor_Count	2
18378694	Total_Formal_Charge	0
6633	Molecular_Weight	253.36
3037981	Covalent_Unit_Count	1
14723649	Hydrogen_Bond_Donor_Count	0
83553	Isotope_Atom_Count	0
92211533	Hydrogen_Bond_Acceptor_Count	7
3037565	Exact_Mass	322.25079494
162290	Exact_Mass	692.5025642
129846595	Molecular_Weight	1170.0
156651923	Mono_Isotopic_Weight	114.068079557
60824	Molecular_Weight	349.30
642799	TPSA	12.9
159220	Mono_Isotopic_Weight	229.1233420
25142310	TPSA	89
9732	Covalent_Unit_Count	1
72187525	Undefined_Bond_Stereo_Count	0
128423	Undefined_Atom_Stereo_Count	1
5463858	Rotatable_Bond_Count	0
73604	TPSA	123
70677962	TPSA	186
135484551	Hydrogen_Bond_Acceptor_Count	9
447545	XLogP3-AA	2
2220	Defined_Bond_Stereo_Count	0
3153	Tautomer_Count	53
142891	XLogP3	3.3
266	Hydrogen_Bond_Donor_Count	2
11251803	Structure_Complexity	2320
8483	Defined_Atom_Stereo_Count	0
15629	Molecular_Weight	214.65
145325785	Undefined_Bond_Stereo_Count	0
8602	Molecular_Weight	211.64
14589	Mono_Isotopic_Weight	208.088815002
13479278	Mono_Isotopic_Weight	95.073499291
59810317	Mono_Isotopic_Weight	97.052763847
137699570	Hydrogen_Bond_Donor_Count	6
627386	Molecular_Weight	402.04
194383	Non-hydrogen_Atom_Count	43
145019560	TPSA	34
71756167	Defined_Atom_Stereo_Count	0
191445	TPSA	165
23083536	Defined_Bond_Stereo_Count	0
28118	Covalent_Unit_Count	2
19891145	Hydrogen_Bond_Acceptor_Count	3
58664	Molecular_Weight	319.74
11137142	Isotope_Atom_Count	0
329061	Structure_Complexity	72.8
123555270	Covalent_Unit_Count	1
9942127	Rotatable_Bond_Count	0
71242808	Total_Formal_Charge	0
145706074	Undefined_Atom_Stereo_Count	25
44310002	TPSA	49.7
3739682	TPSA	83.4
10130220	Covalent_Unit_Count	1
153834924	Rotatable_Bond_Count	0
57391320	XLogP3-AA	3.1
4917	Rotatable_Bond_Count	4
18673160	Undefined_Bond_Stereo_Count	0
50701	Undefined_Bond_Stereo_Count	0
628904	Hydrogen_Bond_Donor_Count	1
134931805	XLogP3-AA	0.8
5328791	Covalent_Unit_Count	1
88705	Mono_Isotopic_Weight	135.104799419
21100	Total_Formal_Charge	0
5282227	Isotope_Atom_Count	0
2762864	Isotope_Atom_Count	0
2724372	Rotatable_Bond_Count	3
312816	Undefined_Atom_Stereo_Count	6
59792626	Structure_Complexity	19.2
20055089	TPSA	12.5
60651	Covalent_Unit_Count	1
65894	Total_Formal_Charge	0
115367	Molecular_Weight	463.0
13052471	Covalent_Unit_Count	1
170759	Undefined_Atom_Stereo_Count	0
137170	Exact_Mass	122.073164938
2827646	TPSA	61.7
140796896	Undefined_Bond_Stereo_Count	1
102891	Hydrogen_Bond_Acceptor_Count	7
3818	Hydrogen_Bond_Donor_Count	3
49855250	Hydrogen_Bond_Donor_Count	2
27124	Undefined_Bond_Stereo_Count	1
86220885	Structure_Complexity	24.8
8217	Hydrogen_Bond_Acceptor_Count	0
135413520	Exact_Mass	471.11307191
3775	Mono_Isotopic_Weight	353.259288680
7851	Total_Formal_Charge	0
52948154	XLogP3-AA	4.6
542567	Molecular_Weight	181.15
67832	Structure_Complexity	131
11804893	Hydrogen_Bond_Acceptor_Count	2
107905	Defined_Atom_Stereo_Count	2
20517177	Defined_Bond_Stereo_Count	0
123991	Covalent_Unit_Count	1
135473834	Molecular_Weight	457.4
91465	Non-hydrogen_Atom_Count	28
36005	Covalent_Unit_Count	2
13751	Mono_Isotopic_Weight	254.178298710
23160059	Tautomer_Count	1
5077	Rotatable_Bond_Count	5
11455973	Hydrogen_Bond_Acceptor_Count	13
44424639	Structure_Complexity	1690
71898	Undefined_Bond_Stereo_Count	0
70480850	Structure_Complexity	68.9
11569967	Total_Formal_Charge	0
20297542	Undefined_Atom_Stereo_Count	0
605283	Hydrogen_Bond_Donor_Count	2
5364448	Isotope_Atom_Count	0
12235161	Molecular_Weight	193.28
4278369	Covalent_Unit_Count	1
74616	Covalent_Unit_Count	1
69913	Molecular_Weight	224.21
37274	Isotope_Atom_Count	0
10455790	Mono_Isotopic_Weight	438.14920402
77813014	Defined_Atom_Stereo_Count	0
115080007	Structure_Complexity	78.4
12069	Non-hydrogen_Atom_Count	15
320930	Total_Formal_Charge	0
2735101	Isotope_Atom_Count	0
10867835	Total_Formal_Charge	0
71309908	Hydrogen_Bond_Acceptor_Count	6
53403600	Undefined_Atom_Stereo_Count	0
166089069	Undefined_Atom_Stereo_Count	2
656980	Hydrogen_Bond_Acceptor_Count	2
69444	TPSA	7.1
165337	Hydrogen_Bond_Donor_Count	0
12284	Covalent_Unit_Count	1
15230353	XLogP3-AA	3.9
70520512	Non-hydrogen_Atom_Count	8
67435079	Defined_Bond_Stereo_Count	0
44144434	Undefined_Bond_Stereo_Count	0
11949689	Tautomer_Count	1
4786	Undefined_Bond_Stereo_Count	0
17820196	Undefined_Atom_Stereo_Count	1
62466	Defined_Bond_Stereo_Count	0
55653	Molecular_Weight	263.16
54677674	Rotatable_Bond_Count	6
5310805	Hydrogen_Bond_Acceptor_Count	5
4223	Covalent_Unit_Count	1
101320272	Rotatable_Bond_Count	5
67473	Hydrogen_Bond_Acceptor_Count	2
22419332	Structure_Complexity	137
559009	Exact_Mass	100.088815002
31639	Total_Formal_Charge	0
79885	Undefined_Bond_Stereo_Count	0
24866867	Covalent_Unit_Count	1
13170	Defined_Atom_Stereo_Count	0
18171	Total_Formal_Charge	0
10171348	Defined_Bond_Stereo_Count	1
52934127	Tautomer_Count	2
11074101	Defined_Bond_Stereo_Count	0
16847	Structure_Complexity	496
15569631	Undefined_Atom_Stereo_Count	0
57503849	Tautomer_Count	1
4217966	Covalent_Unit_Count	1
144292374	Defined_Bond_Stereo_Count	0
2236	Exact_Mass	341.05355169
12704941	Exact_Mass	102.115698455
131634423	Molecular_Weight	395.3
60698	TPSA	62.5
26361	Total_Formal_Charge	0
93147	Hydrogen_Bond_Acceptor_Count	2
90475888	Exact_Mass	470.99330419
124021837	Defined_Atom_Stereo_Count	0
66070288	Undefined_Bond_Stereo_Count	0
67511	Undefined_Bond_Stereo_Count	0
5460544	Undefined_Atom_Stereo_Count	0
81530	Defined_Atom_Stereo_Count	0
6440938	Molecular_Weight	259.21
1233	Defined_Bond_Stereo_Count	0
5336	Undefined_Bond_Stereo_Count	0
135431272	TPSA	67.5
96029	Isotope_Atom_Count	0
16293	Non-hydrogen_Atom_Count	14
1302	Mono_Isotopic_Weight	230.094294304
70634430	Hydrogen_Bond_Acceptor_Count	2
23709629	Isotope_Atom_Count	0
9792	Non-hydrogen_Atom_Count	28
75705	Undefined_Bond_Stereo_Count	0
6885	Isotope_Atom_Count	0
93536	Rotatable_Bond_Count	2
21692	Exact_Mass	268.121177757
688586	Exact_Mass	244.03472857
36690486	Total_Formal_Charge	0
11597868	Undefined_Bond_Stereo_Count	0
13349550	Undefined_Bond_Stereo_Count	0
631779	Defined_Bond_Stereo_Count	0
8698	XLogP3	3.8
15732451	Hydrogen_Bond_Acceptor_Count	3
65975	XLogP3-AA	2
9690122	Exact_Mass	292.0146493
44443935	Isotope_Atom_Count	0
2099	Structure_Complexity	442
19864017	Hydrogen_Bond_Acceptor_Count	5
17579	Tautomer_Count	1
5359367	Undefined_Atom_Stereo_Count	0
44126086	Hydrogen_Bond_Donor_Count	2
68396	Rotatable_Bond_Count	0
1549065	Hydrogen_Bond_Donor_Count	1
122214878	Undefined_Bond_Stereo_Count	0
895	Molecular_Weight	244.33
24846	Mono_Isotopic_Weight	164.01030715
84148	XLogP3-AA	0.8
2737289	Mono_Isotopic_Weight	168.06989108
51352361	Hydrogen_Bond_Acceptor_Count	7
60196314	Defined_Atom_Stereo_Count	1
20623556	Structure_Complexity	123
11240433	Undefined_Atom_Stereo_Count	1
22297	Defined_Bond_Stereo_Count	0
77757	XLogP3-AA	15.6
7563	Tautomer_Count	2
10297065	Mono_Isotopic_Weight	441.06062622
31640	Tautomer_Count	2
10345214	Defined_Bond_Stereo_Count	0
10090005	Isotope_Atom_Count	0
11861720	Defined_Atom_Stereo_Count	4
18461924	Hydrogen_Bond_Donor_Count	0
4284331	Isotope_Atom_Count	0
77833	Structure_Complexity	350
18372143	Undefined_Bond_Stereo_Count	0
55910	Hydrogen_Bond_Donor_Count	2
101333850	Defined_Atom_Stereo_Count	2
9574101	Structure_Complexity	731
92765	TPSA	30.9
8305	Hydrogen_Bond_Donor_Count	0
13568406	Undefined_Atom_Stereo_Count	0
819440	Defined_Bond_Stereo_Count	0
24183644	Undefined_Atom_Stereo_Count	0
82789	Undefined_Bond_Stereo_Count	0
51644315	Molecular_Weight	123.99
135499879	Mono_Isotopic_Weight	405.14707541
598777	Undefined_Bond_Stereo_Count	0
91216087	XLogP3-AA	0.6
101835694	Isotope_Atom_Count	0
12151528	Structure_Complexity	56
21953621	Isotope_Atom_Count	0
79003661	Hydrogen_Bond_Donor_Count	1
124005380	XLogP3-AA	3.1
3793	Non-hydrogen_Atom_Count	49
637511	Molecular_Weight	132.16
2049	Undefined_Atom_Stereo_Count	0
192627	TPSA	76.4
12313981	Hydrogen_Bond_Acceptor_Count	19
86305	Hydrogen_Bond_Donor_Count	0
16132416	Total_Formal_Charge	0
58488970	Exact_Mass	110.109550447
5477635	Covalent_Unit_Count	1
55604	Hydrogen_Bond_Acceptor_Count	7
24900426	Isotope_Atom_Count	0
75640	Defined_Atom_Stereo_Count	0
35802	Non-hydrogen_Atom_Count	23
635911	Exact_Mass	590.31043507
28446	Molecular_Weight	165.24
44419240	Exact_Mass	341.11979803
282471	Tautomer_Count	3
2852	Defined_Bond_Stereo_Count	0
44404642	Hydrogen_Bond_Acceptor_Count	5
65714	Tautomer_Count	3
95309	Total_Formal_Charge	0
22182162	Undefined_Atom_Stereo_Count	0
44758	Undefined_Atom_Stereo_Count	0
81047	Rotatable_Bond_Count	0
11442891	Hydrogen_Bond_Acceptor_Count	6
71464652	Structure_Complexity	463
122197250	Exact_Mass	447.26929854
78138	Total_Formal_Charge	0
25202592	Mono_Isotopic_Weight	129.078978594
23262349	Isotope_Atom_Count	0
44310763	Defined_Bond_Stereo_Count	0
6456015	Hydrogen_Bond_Donor_Count	6
23783	Defined_Atom_Stereo_Count	0
20903	XLogP3-AA	1.3
15090448	Exact_Mass	114.068079557
3037886	XLogP3	1.8
1649	Rotatable_Bond_Count	0
10654192	TPSA	33.4
15664	Exact_Mass	184.100048391
22125	Isotope_Atom_Count	0
140920	Covalent_Unit_Count	1
119716	Isotope_Atom_Count	0
11378469	Isotope_Atom_Count	0
89342	Exact_Mass	86.084398327
5363181	Molecular_Weight	416.6
11908488	Undefined_Bond_Stereo_Count	0
50614	Hydrogen_Bond_Donor_Count	4
25612	Isotope_Atom_Count	0
6553	Mono_Isotopic_Weight	199.88363
441141	Mono_Isotopic_Weight	1447.4301997
67678949	Exact_Mass	114.068079557
154461366	Structure_Complexity	122
10256734	XLogP3-AA	1.8
517327	Defined_Bond_Stereo_Count	0
379058	Non-hydrogen_Atom_Count	46
10110	TPSA	37.3
50293	Mono_Isotopic_Weight	228.901960
12771867	Defined_Bond_Stereo_Count	0
31075	Non-hydrogen_Atom_Count	22
91668	Molecular_Weight	370.5
70608	Total_Formal_Charge	0
71215	Exact_Mass	475.909940
40466988	Hydrogen_Bond_Acceptor_Count	7
16158473	Isotope_Atom_Count	0
84647663	Molecular_Weight	112.13
2557	Defined_Atom_Stereo_Count	0
52949760	Hydrogen_Bond_Acceptor_Count	4
12671783	XLogP3-AA	0.9
16132283	Hydrogen_Bond_Acceptor_Count	55
13451951	Hydrogen_Bond_Donor_Count	0
430996	XLogP3-AA	4.2
137808	Exact_Mass	93.057849228
4528	XLogP3-AA	2.6
398675	Hydrogen_Bond_Donor_Count	0
3035016	Molecular_Weight	483.5
21914607	Defined_Bond_Stereo_Count	0
13244862	Total_Formal_Charge	0
4349	Undefined_Bond_Stereo_Count	0
12519786	Structure_Complexity	127
123870	Undefined_Atom_Stereo_Count	1
72214	Hydrogen_Bond_Acceptor_Count	7
135450598	Molecular_Weight	537.21
24884197	Non-hydrogen_Atom_Count	9
89445694	XLogP3-AA	0.4
92395	Non-hydrogen_Atom_Count	28
5289085	Undefined_Atom_Stereo_Count	0
20696068	Molecular_Weight	102.18
5282315	Exact_Mass	821.49254132
29075	Hydrogen_Bond_Donor_Count	0
88495127	Exact_Mass	122.00376522
14930278	TPSA	29.5
12769	Defined_Atom_Stereo_Count	0
24450	Molecular_Weight	174.176
92877	Exact_Mass	276.245315640
65422334	Defined_Bond_Stereo_Count	0
45085139	Total_Formal_Charge	0
14409	TPSA	35.6
5282409	Structure_Complexity	386
317883	Mono_Isotopic_Weight	378.08518617
6028739	XLogP3-AA	1.2
5464037	Total_Formal_Charge	0
12358497	TPSA	12.5
5770	Structure_Complexity	1000
11363176	Molecular_Weight	461.0
156963402	Exact_Mass	838.29831089
2723942	TPSA	113
4507	Hydrogen_Bond_Donor_Count	1
137993	Isotope_Atom_Count	0
141281584	Exact_Mass	114.104465066
3662392	Undefined_Atom_Stereo_Count	0
3045335	Mono_Isotopic_Weight	492.2391000
11184839	Hydrogen_Bond_Donor_Count	1
13198341	Hydrogen_Bond_Acceptor_Count	3
3042	Molecular_Weight	309.5
65474	Mono_Isotopic_Weight	338.1583477
6438028	Structure_Complexity	348
155815	Covalent_Unit_Count	1
75274	Rotatable_Bond_Count	6
9930049	TPSA	51.2
8033	Rotatable_Bond_Count	3
22465468	Hydrogen_Bond_Donor_Count	1
559072	Mono_Isotopic_Weight	100.088815002
6433396	Molecular_Weight	251.15
5282315	Non-hydrogen_Atom_Count	58
4633677	Non-hydrogen_Atom_Count	17
13112619	Molecular_Weight	85.15
31398	Total_Formal_Charge	0
656597	Total_Formal_Charge	0
590596	XLogP3-AA	1.3
69507	Undefined_Atom_Stereo_Count	0
132305	Exact_Mass	375.16818752
5311345	TPSA	78.7
76223445	TPSA	26
49868036	Hydrogen_Bond_Acceptor_Count	21
12768628	Defined_Atom_Stereo_Count	0
23663979	Hydrogen_Bond_Donor_Count	2
54688261	Structure_Complexity	502
737374	TPSA	70.1
146159501	Defined_Atom_Stereo_Count	1
5264	Exact_Mass	465.34573470
194777	Total_Formal_Charge	0
156599225	Rotatable_Bond_Count	10
90876	Structure_Complexity	834
22563962	Hydrogen_Bond_Donor_Count	0
145720674	Rotatable_Bond_Count	7
71681009	Covalent_Unit_Count	1
303892	Structure_Complexity	306
11824	TPSA	150
45358084	Undefined_Atom_Stereo_Count	0
9874591	TPSA	195
22967022	Defined_Bond_Stereo_Count	0
151093	Undefined_Atom_Stereo_Count	0
841083	Total_Formal_Charge	0
77828	Undefined_Bond_Stereo_Count	0
159755	Hydrogen_Bond_Donor_Count	1
438	Isotope_Atom_Count	0
6432237	Exact_Mass	72.057514874
9699	Total_Formal_Charge	0
118733511	Undefined_Bond_Stereo_Count	0
76223588	Total_Formal_Charge	0
54084075	Defined_Bond_Stereo_Count	0
7348	Non-hydrogen_Atom_Count	19
8005	Undefined_Atom_Stereo_Count	0
135753908	Total_Formal_Charge	0
88930515	Molecular_Weight	1202.6
11000531	Rotatable_Bond_Count	2
443951	Molecular_Weight	340.5
106757	XLogP3-AA	0.6
89311461	Molecular_Weight	114.15
2745	Total_Formal_Charge	0
50299	Tautomer_Count	2
90487065	Molecular_Weight	112.13
5102	Molecular_Weight	394.4
76373	Non-hydrogen_Atom_Count	8
3003191	Undefined_Atom_Stereo_Count	1
57261612	Exact_Mass	109.063997236
38019	Exact_Mass	359.841466
5460161	Molecular_Weight	89.07
5284551	TPSA	163
65684	Structure_Complexity	241
21331354	Undefined_Atom_Stereo_Count	1
62725	Undefined_Atom_Stereo_Count	0
123347622	Mono_Isotopic_Weight	97.089149355
79608	Defined_Bond_Stereo_Count	0
235713	Exact_Mass	182.03275668
449424	Mono_Isotopic_Weight	361.16108550
140934984	TPSA	0
9562059	Hydrogen_Bond_Donor_Count	8
14798	Undefined_Bond_Stereo_Count	0
85939	Defined_Bond_Stereo_Count	0
5423	Undefined_Atom_Stereo_Count	1
62343	Defined_Bond_Stereo_Count	0
44073	Structure_Complexity	484
82412	Exact_Mass	186.08920892
92400	Non-hydrogen_Atom_Count	29
60154328	Hydrogen_Bond_Acceptor_Count	7
13718	Exact_Mass	221.141578849
11285588	Exact_Mass	731.30002740
446570	Hydrogen_Bond_Donor_Count	3
24867465	Molecular_Weight	341.83
22310945	Hydrogen_Bond_Acceptor_Count	3
14829	Structure_Complexity	2
52943334	Defined_Atom_Stereo_Count	1
143811683	Covalent_Unit_Count	1
443945	Non-hydrogen_Atom_Count	23
21881641	Non-hydrogen_Atom_Count	58
23688359	TPSA	197
11620055	Molecular_Weight	487.0
76482	Total_Formal_Charge	0
5283344	Isotope_Atom_Count	0
220820	Hydrogen_Bond_Donor_Count	0
26888	Undefined_Atom_Stereo_Count	0
70977832	Mono_Isotopic_Weight	112.088815002
21717212	Hydrogen_Bond_Acceptor_Count	7
66646	Molecular_Weight	171.58
66978	Defined_Atom_Stereo_Count	0
67763	Isotope_Atom_Count	0
64498	Mono_Isotopic_Weight	193.146664230
12313981	Structure_Complexity	870
71932	XLogP3-AA	4.9
394397	Exact_Mass	265.01572689
80	Mono_Isotopic_Weight	172.03717335
5280883	Defined_Atom_Stereo_Count	5
16683004	Exact_Mass	1052.40908
9910975	Hydrogen_Bond_Acceptor_Count	12
29772	Total_Formal_Charge	0
12738	Hydrogen_Bond_Donor_Count	0
97617	Undefined_Atom_Stereo_Count	0
272079	Non-hydrogen_Atom_Count	8
2811261	Isotope_Atom_Count	0
3664740	Molecular_Weight	327.3
60662	Total_Formal_Charge	0
49803313	Non-hydrogen_Atom_Count	40
3219	Hydrogen_Bond_Donor_Count	0
37768	Isotope_Atom_Count	0
5497143	Molecular_Weight	835.6
86743193	Hydrogen_Bond_Acceptor_Count	10
2721	Undefined_Atom_Stereo_Count	0
1179	Hydrogen_Bond_Acceptor_Count	16
12444348	Undefined_Bond_Stereo_Count	0
142243302	Non-hydrogen_Atom_Count	7
66840	Mono_Isotopic_Weight	242.95311
11116020	Exact_Mass	113.047678466
18947655	Exact_Mass	98.048012819
23669624	Structure_Complexity	184
4211	Mono_Isotopic_Weight	317.953661
54261087	Covalent_Unit_Count	1
5281417	Exact_Mass	340.07943208
191468	Covalent_Unit_Count	1
2870	Total_Formal_Charge	0
2724032	Non-hydrogen_Atom_Count	11
71571522	Defined_Bond_Stereo_Count	0
54682651	TPSA	63.6
5281032	Undefined_Bond_Stereo_Count	0
123217920	Defined_Bond_Stereo_Count	0
5483631	Undefined_Atom_Stereo_Count	0
58516110	Total_Formal_Charge	1
33958	Hydrogen_Bond_Donor_Count	2
37844	Rotatable_Bond_Count	6
24868267	Undefined_Bond_Stereo_Count	0
40187	Undefined_Atom_Stereo_Count	2
11247	Mono_Isotopic_Weight	263.98773
154104	Structure_Complexity	499
22717649	Total_Formal_Charge	0
11980076	Non-hydrogen_Atom_Count	89
219093	Non-hydrogen_Atom_Count	21
46205733	Mono_Isotopic_Weight	622.2324904
6866	Exact_Mass	196.9799046
41653	Undefined_Atom_Stereo_Count	0
68840	Exact_Mass	237.151749610
566685	Hydrogen_Bond_Donor_Count	0
429819	TPSA	66.4
3029012	Mono_Isotopic_Weight	181.07389321
464	Non-hydrogen_Atom_Count	13
11267045	Isotope_Atom_Count	0
683253	Non-hydrogen_Atom_Count	19
28037	Undefined_Atom_Stereo_Count	0
521939	Mono_Isotopic_Weight	268.125200510
155903767	Hydrogen_Bond_Donor_Count	5
24006	Defined_Bond_Stereo_Count	0
4668904	Undefined_Bond_Stereo_Count	0
52165	Structure_Complexity	523
70678896	Hydrogen_Bond_Acceptor_Count	18
16760328	Rotatable_Bond_Count	13
945	Isotope_Atom_Count	0
3795	Structure_Complexity	390
37142	Non-hydrogen_Atom_Count	20
94317	Structure_Complexity	86.6
417452	Covalent_Unit_Count	1
16726085	Covalent_Unit_Count	1
59456120	Hydrogen_Bond_Acceptor_Count	8
54697325	XLogP3-AA	3
11439	Defined_Atom_Stereo_Count	0
20782632	Undefined_Bond_Stereo_Count	0
93	Undefined_Atom_Stereo_Count	0
532	Undefined_Atom_Stereo_Count	6
10424358	Isotope_Atom_Count	0
8094	Defined_Atom_Stereo_Count	0
68947	Defined_Atom_Stereo_Count	6
74062	Defined_Atom_Stereo_Count	0
23675737	Rotatable_Bond_Count	4
5311123	TPSA	138
61996	Rotatable_Bond_Count	6
712421	Structure_Complexity	153
46899922	Rotatable_Bond_Count	5
9862272	Exact_Mass	328.1142544
133914	Structure_Complexity	589
39688	Structure_Complexity	450
3140955	Hydrogen_Bond_Acceptor_Count	5
85237	Undefined_Atom_Stereo_Count	0
118701518	Undefined_Bond_Stereo_Count	0
71750	Rotatable_Bond_Count	0
56680325	Covalent_Unit_Count	1
125368	Hydrogen_Bond_Acceptor_Count	2
5361919	Defined_Bond_Stereo_Count	1
60613	Hydrogen_Bond_Acceptor_Count	6
155293246	Undefined_Atom_Stereo_Count	0
1793	Total_Formal_Charge	0
20054964	Undefined_Atom_Stereo_Count	1
22004078	Structure_Complexity	92.3
715513	XLogP3-AA	4.4
11398	Total_Formal_Charge	0
11254352	TPSA	138
11317	Undefined_Bond_Stereo_Count	0
9964079	TPSA	64.2
9823820	Undefined_Bond_Stereo_Count	0
44620953	Undefined_Atom_Stereo_Count	0
22998467	Covalent_Unit_Count	1
5318517	Non-hydrogen_Atom_Count	25
535795	Isotope_Atom_Count	0
9795291	Rotatable_Bond_Count	4
56955284	Hydrogen_Bond_Acceptor_Count	2
102175	Covalent_Unit_Count	1
25318	Isotope_Atom_Count	0
9948102	Hydrogen_Bond_Acceptor_Count	2
12997	XLogP3-AA	4.6
53485229	Undefined_Bond_Stereo_Count	0
32731	Hydrogen_Bond_Acceptor_Count	6
661093	Structure_Complexity	361
70685495	Total_Formal_Charge	0
78836	Defined_Bond_Stereo_Count	0
4283516	Tautomer_Count	1
1560	Defined_Atom_Stereo_Count	0
8998	Hydrogen_Bond_Acceptor_Count	4
3081317	Non-hydrogen_Atom_Count	44
83756	Structure_Complexity	89.6
572565	Total_Formal_Charge	0
21850	Hydrogen_Bond_Acceptor_Count	5
57394021	Non-hydrogen_Atom_Count	32
145858	Exact_Mass	207.080989970
15529	Isotope_Atom_Count	0
135472946	Isotope_Atom_Count	0
146646427	Non-hydrogen_Atom_Count	8
19952	Covalent_Unit_Count	1
88269064	Undefined_Atom_Stereo_Count	1
19779961	Undefined_Bond_Stereo_Count	0
10145345	Hydrogen_Bond_Donor_Count	0
34481	XLogP3-AA	4.1
1498	XLogP3-AA	3.7
11518241	Undefined_Atom_Stereo_Count	0
57390796	Undefined_Bond_Stereo_Count	0
132275556	Covalent_Unit_Count	1
46212	Structure_Complexity	523
11126361	Rotatable_Bond_Count	1
22315763	Undefined_Atom_Stereo_Count	0
5694	Mono_Isotopic_Weight	323.0495256
6994776	Defined_Atom_Stereo_Count	0
135566455	Hydrogen_Bond_Acceptor_Count	7
25246274	Covalent_Unit_Count	1
12346769	Structure_Complexity	171
9268	Exact_Mass	168.187800766
12867427	Structure_Complexity	82.2
446210	Exact_Mass	493.99916019
1056	Mono_Isotopic_Weight	82.053098200
89683805	Hydrogen_Bond_Donor_Count	3
3330	Mono_Isotopic_Weight	254.04154528
12884652	Rotatable_Bond_Count	1
72450871	XLogP3-AA	1.1
334657	Structure_Complexity	180
13021	Undefined_Bond_Stereo_Count	0
21798491	Undefined_Atom_Stereo_Count	2
90735654	Exact_Mass	106.078250319
92550	Tautomer_Count	1
8229	Undefined_Bond_Stereo_Count	0
24183437	Hydrogen_Bond_Donor_Count	4
54418364	Total_Formal_Charge	0
656609	Undefined_Atom_Stereo_Count	0
12882502	Exact_Mass	112.088815002
136085	XLogP3-AA	0.3
6537505	Mono_Isotopic_Weight	250.15689456
257950	Structure_Complexity	160
21658180	Non-hydrogen_Atom_Count	73
11029805	Isotope_Atom_Count	0
1497794	XLogP3-AA	2
20542700	Defined_Atom_Stereo_Count	0
91148	Total_Formal_Charge	0
42239	Undefined_Atom_Stereo_Count	0
45788574	Isotope_Atom_Count	0
43517	Non-hydrogen_Atom_Count	21
62413	Covalent_Unit_Count	2
22754947	Undefined_Bond_Stereo_Count	0
31331	Tautomer_Count	1
5779	Exact_Mass	150.05282342
644113	Exact_Mass	362.0224976
16129617	Defined_Atom_Stereo_Count	21
25117126	Undefined_Bond_Stereo_Count	0
53494972	XLogP3-AA	3.4
60769	Isotope_Atom_Count	0
62999	Tautomer_Count	1
70068	Undefined_Atom_Stereo_Count	0
126569786	Structure_Complexity	2330
61111	Undefined_Atom_Stereo_Count	2
6603720	Hydrogen_Bond_Acceptor_Count	3
93032	Isotope_Atom_Count	0
20056743	Isotope_Atom_Count	0
5351457	Defined_Atom_Stereo_Count	0
3748774	Defined_Atom_Stereo_Count	0
17948845	Defined_Bond_Stereo_Count	0
5143	Molecular_Weight	183.19
11073538	Isotope_Atom_Count	0
201652	XLogP3-AA	3
21031	Hydrogen_Bond_Donor_Count	0
44412	Structure_Complexity	44.1
12359154	Non-hydrogen_Atom_Count	20
45934310	Defined_Atom_Stereo_Count	4
101942760	Non-hydrogen_Atom_Count	17
15054176	Covalent_Unit_Count	1
10967532	Defined_Atom_Stereo_Count	0
11526696	Hydrogen_Bond_Donor_Count	3
71873	Tautomer_Count	1
13401731	Molecular_Weight	83.13
23702	Hydrogen_Bond_Donor_Count	5
94791	TPSA	40.6
91370278	Exact_Mass	94.078250319
6645	Non-hydrogen_Atom_Count	12
9543050	Defined_Bond_Stereo_Count	1
8196	Non-hydrogen_Atom_Count	13
22918656	Undefined_Atom_Stereo_Count	0
5280981	Covalent_Unit_Count	1
3330	Non-hydrogen_Atom_Count	18
86231890	TPSA	9.2
6918186	Structure_Complexity	522
97050130	Molecular_Weight	342.30
151994	Undefined_Atom_Stereo_Count	0
71584930	Defined_Bond_Stereo_Count	0
114794	Hydrogen_Bond_Acceptor_Count	1
65130	Undefined_Bond_Stereo_Count	0
6602378	Structure_Complexity	686
5282822	Non-hydrogen_Atom_Count	20
62751	Isotope_Atom_Count	0
51	Molecular_Weight	146.10
13651872	Rotatable_Bond_Count	1
11074101	Undefined_Atom_Stereo_Count	0
8015	Molecular_Weight	68.08
7434	Structure_Complexity	229
441348	TPSA	55.6
125027416	Rotatable_Bond_Count	3
46916694	Mono_Isotopic_Weight	432.15460314
22220875	Defined_Bond_Stereo_Count	0
1562	Hydrogen_Bond_Donor_Count	3
12376	Hydrogen_Bond_Acceptor_Count	4
2736567	Non-hydrogen_Atom_Count	8
1877	Non-hydrogen_Atom_Count	24
297691	Mono_Isotopic_Weight	335.9778561
79196	Molecular_Weight	114.19
158785912	Hydrogen_Bond_Donor_Count	5
77929	Molecular_Weight	220.25
7077	Defined_Bond_Stereo_Count	0
10228095	Covalent_Unit_Count	1
96935	Defined_Atom_Stereo_Count	0
23327	Mono_Isotopic_Weight	147.05315777
84921	Exact_Mass	129.115364102
131664136	Structure_Complexity	2660
228506	Total_Formal_Charge	0
10926093	Hydrogen_Bond_Acceptor_Count	2
24180717	TPSA	68.7
23983765	Structure_Complexity	191
149164152	Defined_Bond_Stereo_Count	0
70719	Defined_Bond_Stereo_Count	0
14200531	Hydrogen_Bond_Acceptor_Count	3
17318	Defined_Atom_Stereo_Count	0
102228006	Exact_Mass	290.130679813
15431	XLogP3-AA	3.5
46853632	Molecular_Weight	451.5
126627233	Exact_Mass	100.100048391
445575	Structure_Complexity	609
5282349	Exact_Mass	410.318480578
52944681	Exact_Mass	399.13944780
16600	Total_Formal_Charge	0
60105598	Hydrogen_Bond_Donor_Count	5
14866914	Mono_Isotopic_Weight	102.031694049
21484	Isotope_Atom_Count	0
163285106	Covalent_Unit_Count	1
619387	Isotope_Atom_Count	0
21675991	Defined_Atom_Stereo_Count	0
25548	Hydrogen_Bond_Acceptor_Count	14
20545753	Hydrogen_Bond_Donor_Count	3
42827	Defined_Atom_Stereo_Count	0
114911	Total_Formal_Charge	0
55291579	Rotatable_Bond_Count	1
5354486	Covalent_Unit_Count	1
20660672	Covalent_Unit_Count	1
76092	Non-hydrogen_Atom_Count	11
13728	Hydrogen_Bond_Donor_Count	0
14022511	Undefined_Atom_Stereo_Count	0
14205677	Undefined_Atom_Stereo_Count	0
16129701	Total_Formal_Charge	0
44305779	Defined_Atom_Stereo_Count	0
317681	Defined_Bond_Stereo_Count	0
11412	Rotatable_Bond_Count	3
66384	Structure_Complexity	376
5727	Defined_Atom_Stereo_Count	0
97390	XLogP3-AA	0.2
10240	Structure_Complexity	307
72200931	Isotope_Atom_Count	0
53326032	XLogP3-AA	1.8
9920369	Structure_Complexity	109
7320	Undefined_Atom_Stereo_Count	0
25457	Total_Formal_Charge	0
10923804	Structure_Complexity	240
270299	Mono_Isotopic_Weight	116.083729621
24884313	Structure_Complexity	495
10740	Structure_Complexity	160
12369703	Defined_Atom_Stereo_Count	0
77674	Mono_Isotopic_Weight	163.927511
60196352	Undefined_Bond_Stereo_Count	0
130993429	Non-hydrogen_Atom_Count	8
6606	TPSA	20.2
177739	Undefined_Atom_Stereo_Count	0
522446	Covalent_Unit_Count	1
56851705	Rotatable_Bond_Count	3
21428	XLogP3	2.1
72200863	Exact_Mass	554.32301113
7105	Total_Formal_Charge	0
27350	Defined_Bond_Stereo_Count	0
133741	Molecular_Weight	276.37
398701	Total_Formal_Charge	0
411862	Isotope_Atom_Count	0
132031748	Isotope_Atom_Count	0
441407	Non-hydrogen_Atom_Count	30
6950337	Defined_Bond_Stereo_Count	0
314787	Structure_Complexity	270
5475158	TPSA	57.6
13620760	Molecular_Weight	126.08
20281045	Undefined_Bond_Stereo_Count	0
2021	Hydrogen_Bond_Donor_Count	5
5311053	Total_Formal_Charge	0
68292207	Isotope_Atom_Count	0
19787449	Total_Formal_Charge	0
18954381	Undefined_Bond_Stereo_Count	0
67858481	Hydrogen_Bond_Acceptor_Count	2
21900379	Rotatable_Bond_Count	4
9727	Covalent_Unit_Count	1
1033	Rotatable_Bond_Count	21
135410702	Mono_Isotopic_Weight	471.15024603
23253567	Defined_Atom_Stereo_Count	4
63002	Hydrogen_Bond_Donor_Count	4
80792	Isotope_Atom_Count	0
444913	TPSA	475
104806	Exact_Mass	61.987817862
76	Mono_Isotopic_Weight	288.208930132
6435824	Defined_Atom_Stereo_Count	0
679386	Exact_Mass	276.05686342
62760	Tautomer_Count	1
20678	Rotatable_Bond_Count	1
11350701	Isotope_Atom_Count	0
6294	Structure_Complexity	218
349902	Covalent_Unit_Count	1
16540	Molecular_Weight	119.59
25253556	TPSA	79.9
162649852	Hydrogen_Bond_Acceptor_Count	27
18641	Tautomer_Count	6
12462	Undefined_Atom_Stereo_Count	0
21677759	Exact_Mass	302.13923312
12309518	Undefined_Bond_Stereo_Count	0
15565709	Hydrogen_Bond_Donor_Count	2
60196390	Total_Formal_Charge	0
92886	Defined_Bond_Stereo_Count	0
12679	Molecular_Weight	179.20
5361919	Total_Formal_Charge	0
5282547	Undefined_Bond_Stereo_Count	0
29396	Non-hydrogen_Atom_Count	8
1242	Mono_Isotopic_Weight	255.125928785
57734486	Defined_Bond_Stereo_Count	1
10111	Hydrogen_Bond_Acceptor_Count	1
3081358	TPSA	84.9
9810709	Undefined_Bond_Stereo_Count	0
14677	Structure_Complexity	339
3813	Mono_Isotopic_Weight	467.14812078
91514136	Exact_Mass	100.052429494
91041225	Defined_Bond_Stereo_Count	0
14619629	Total_Formal_Charge	0
5375199	Exact_Mass	264.13615911
83079	Covalent_Unit_Count	1
970	Undefined_Bond_Stereo_Count	0
7177	Total_Formal_Charge	0
917192	Undefined_Atom_Stereo_Count	0
15178985	Exact_Mass	114.068079557
54761306	Covalent_Unit_Count	1
131700865	Non-hydrogen_Atom_Count	37
178145	Undefined_Atom_Stereo_Count	1
45266503	Structure_Complexity	419
58992	Isotope_Atom_Count	0
11040682	Defined_Bond_Stereo_Count	0
85906	Mono_Isotopic_Weight	178.110613074
9868041	Mono_Isotopic_Weight	443.12633996
94744	Molecular_Weight	117.15
123215474	Defined_Bond_Stereo_Count	0
107639	Structure_Complexity	0
171527	TPSA	21.7
77388	Non-hydrogen_Atom_Count	22
11466	Defined_Bond_Stereo_Count	0
53373584	Isotope_Atom_Count	0
68416156	Isotope_Atom_Count	0
159325	Undefined_Atom_Stereo_Count	0
8970	Total_Formal_Charge	0
441325	TPSA	42.7
68321924	Total_Formal_Charge	0
7017	Total_Formal_Charge	0
26108	Non-hydrogen_Atom_Count	17
15535343	Undefined_Atom_Stereo_Count	1
25654	TPSA	131
2763078	Rotatable_Bond_Count	1
61098	Molecular_Weight	210.31
9931954	TPSA	56.9
48659	Isotope_Atom_Count	0
4649906	TPSA	26.8
7659	Defined_Bond_Stereo_Count	0
15485370	Undefined_Bond_Stereo_Count	0
94377	Hydrogen_Bond_Donor_Count	0
40466862	TPSA	163
398747	Defined_Atom_Stereo_Count	2
22542	Covalent_Unit_Count	1
4501	Undefined_Atom_Stereo_Count	0
5365055	Undefined_Bond_Stereo_Count	0
130027214	Total_Formal_Charge	0
102504	Hydrogen_Bond_Donor_Count	2
4215	Rotatable_Bond_Count	23
84072504	Defined_Atom_Stereo_Count	0
575408	Isotope_Atom_Count	0
14812	Exact_Mass	283.84419418
9690120	Covalent_Unit_Count	2
12304612	Exact_Mass	152.120115130
53766125	Molecular_Weight	117.10
440317	Rotatable_Bond_Count	8
337218	Molecular_Weight	382.4
515	Covalent_Unit_Count	1
18517118	Hydrogen_Bond_Donor_Count	1
12980	Rotatable_Bond_Count	2
89930457	Undefined_Bond_Stereo_Count	0
11987858	Undefined_Atom_Stereo_Count	0
72758138	Covalent_Unit_Count	1
5702214	Undefined_Bond_Stereo_Count	0
69333672	Mono_Isotopic_Weight	108.032362755
5460308	Defined_Bond_Stereo_Count	0
135438424	Structure_Complexity	1040
227112	Defined_Atom_Stereo_Count	0
71624343	Structure_Complexity	546
70500258	Hydrogen_Bond_Acceptor_Count	3
11020	Hydrogen_Bond_Acceptor_Count	3
29773	Undefined_Bond_Stereo_Count	1
133562676	XLogP3-AA	4.1
82058	Total_Formal_Charge	0
96291	Structure_Complexity	86.9
139080230	Hydrogen_Bond_Acceptor_Count	9
5283078	Undefined_Bond_Stereo_Count	0
825522	Undefined_Bond_Stereo_Count	0
6917839	Total_Formal_Charge	0
6972	Hydrogen_Bond_Acceptor_Count	3
7018870	Undefined_Bond_Stereo_Count	0
5461103	Defined_Bond_Stereo_Count	0
58887274	Hydrogen_Bond_Donor_Count	1
54587659	XLogP3-AA	4
96389	Hydrogen_Bond_Donor_Count	1
16957	Undefined_Atom_Stereo_Count	0
45266912	XLogP3-AA	6.9
122236791	Hydrogen_Bond_Donor_Count	1
54084075	Undefined_Atom_Stereo_Count	0
41191	Undefined_Atom_Stereo_Count	0
44455014	Non-hydrogen_Atom_Count	26
54548956	Hydrogen_Bond_Donor_Count	1
4916	Undefined_Bond_Stereo_Count	0
24946456	Non-hydrogen_Atom_Count	30
5487542	TPSA	109
447021	Defined_Bond_Stereo_Count	0
2771917	Defined_Bond_Stereo_Count	0
403803	Structure_Complexity	1040
11180	Defined_Atom_Stereo_Count	0
186148	TPSA	9.2
156418	Undefined_Bond_Stereo_Count	0
43536	Non-hydrogen_Atom_Count	26
3058	Defined_Bond_Stereo_Count	0
5355732	Total_Formal_Charge	0
3579812	Defined_Bond_Stereo_Count	0
35898	Defined_Bond_Stereo_Count	0
70933	Tautomer_Count	1
73695606	Hydrogen_Bond_Donor_Count	2
169016	Hydrogen_Bond_Acceptor_Count	5
9970626	Molecular_Weight	275.3
22158518	Total_Formal_Charge	0
5074	TPSA	61.2
3032818	XLogP3	3.1
33263	Hydrogen_Bond_Donor_Count	1
134593	Structure_Complexity	131
66858	Hydrogen_Bond_Donor_Count	1
74685	Covalent_Unit_Count	1
51041322	XLogP3	0.7
9829419	Molecular_Weight	529.5
13968540	Hydrogen_Bond_Donor_Count	0
80676	Hydrogen_Bond_Acceptor_Count	2
10460	Undefined_Bond_Stereo_Count	1
236666	XLogP3-AA	4
6736	Defined_Atom_Stereo_Count	0
24746982	Defined_Bond_Stereo_Count	0
160554	Non-hydrogen_Atom_Count	13
11638363	TPSA	58.7
11513721	Undefined_Bond_Stereo_Count	0
72331	Non-hydrogen_Atom_Count	38
1747	Total_Formal_Charge	0
15690	Structure_Complexity	110
149026	Undefined_Bond_Stereo_Count	0
5464562	Rotatable_Bond_Count	10
11543205	Structure_Complexity	278
3792939	Rotatable_Bond_Count	0
443970	Undefined_Atom_Stereo_Count	0
6539029	Covalent_Unit_Count	1
101543	Structure_Complexity	517
54726191	Hydrogen_Bond_Acceptor_Count	8
11587639	TPSA	56.6
55220664	Defined_Atom_Stereo_Count	0
18601660	Hydrogen_Bond_Donor_Count	5
12688	Undefined_Bond_Stereo_Count	0
159778730	XLogP3-AA	2.5
7715	Mono_Isotopic_Weight	182.094294304
6914657	XLogP3-AA	3.7
3548422	Covalent_Unit_Count	1
6328154	Defined_Atom_Stereo_Count	0
10078175	Hydrogen_Bond_Donor_Count	8
573744	Hydrogen_Bond_Donor_Count	1
23725051	Hydrogen_Bond_Acceptor_Count	2
54438	Defined_Bond_Stereo_Count	0
9531	Covalent_Unit_Count	1
6427135	Molecular_Weight	170.32
43636	Rotatable_Bond_Count	0
88554936	Exact_Mass	112.088815002
141959525	Hydrogen_Bond_Donor_Count	1
9727	Hydrogen_Bond_Donor_Count	2
33671	Total_Formal_Charge	0
443942	Isotope_Atom_Count	0
16132954	Isotope_Atom_Count	0
92043424	Hydrogen_Bond_Acceptor_Count	50
15356533	TPSA	46.2
70702001	Isotope_Atom_Count	0
12632903	Isotope_Atom_Count	0
8058	Mono_Isotopic_Weight	86.109550447
14440442	Exact_Mass	100.03851076
10391	Tautomer_Count	2
65589	Defined_Atom_Stereo_Count	0
12228202	Rotatable_Bond_Count	0
11327	Rotatable_Bond_Count	0
12867358	Covalent_Unit_Count	1
12264	Undefined_Bond_Stereo_Count	0
49621	Isotope_Atom_Count	0
13520	Mono_Isotopic_Weight	210.0515378
442993	Rotatable_Bond_Count	5
714937	Defined_Atom_Stereo_Count	0
5273569	TPSA	76
60574	Structure_Complexity	326
101643292	Covalent_Unit_Count	4
490561	Structure_Complexity	977
66062	Hydrogen_Bond_Acceptor_Count	4
19078026	Undefined_Bond_Stereo_Count	0
86184	Hydrogen_Bond_Donor_Count	1
59966648	Hydrogen_Bond_Donor_Count	3
586156	Undefined_Atom_Stereo_Count	0
12271363	Defined_Atom_Stereo_Count	0
53796209	Defined_Bond_Stereo_Count	0
57395184	Mono_Isotopic_Weight	671.2021192
9418	Mono_Isotopic_Weight	331.1451400
13380150	Molecular_Weight	114.19
5311381	Exact_Mass	443.23212518
123790252	Undefined_Bond_Stereo_Count	0
57545	Defined_Bond_Stereo_Count	0
44129648	Molecular_Weight	418.5
446284	XLogP3-AA	5.6
91435393	Hydrogen_Bond_Donor_Count	2
9929138	Hydrogen_Bond_Donor_Count	2
162413	Molecular_Weight	186.29
22788210	Defined_Bond_Stereo_Count	0
87280891	Undefined_Bond_Stereo_Count	0
14875988	Rotatable_Bond_Count	1
98633	Molecular_Weight	211.26
36689718	Mono_Isotopic_Weight	117.078978594
11632113	TPSA	111
3263	Undefined_Bond_Stereo_Count	0
112680	Tautomer_Count	1
56659844	Mono_Isotopic_Weight	457.22262313
60878	Non-hydrogen_Atom_Count	35
24884488	Undefined_Bond_Stereo_Count	0
19100836	Covalent_Unit_Count	1
167604	Hydrogen_Bond_Donor_Count	0
403924	Hydrogen_Bond_Acceptor_Count	18
4047281	Defined_Atom_Stereo_Count	0
586083	XLogP3-AA	1.3
62418	Hydrogen_Bond_Acceptor_Count	3
30529	Undefined_Atom_Stereo_Count	0
10214	Tautomer_Count	3
154809859	Exact_Mass	665.30474055
16220011	Hydrogen_Bond_Donor_Count	1
21251781	Defined_Atom_Stereo_Count	0
6884	Non-hydrogen_Atom_Count	11
66379	Molecular_Weight	411.36
22645860	Isotope_Atom_Count	0
14090	Defined_Atom_Stereo_Count	0
25644	Defined_Atom_Stereo_Count	0
214350	Non-hydrogen_Atom_Count	24
1083	Defined_Bond_Stereo_Count	0
133679779	Non-hydrogen_Atom_Count	8
65576866	Rotatable_Bond_Count	1
22986754	Mono_Isotopic_Weight	112.088815002
26248	Non-hydrogen_Atom_Count	27
34001	Undefined_Atom_Stereo_Count	0
139061453	Rotatable_Bond_Count	0
154518370	Rotatable_Bond_Count	1
54169147	Undefined_Atom_Stereo_Count	0
7047	Hydrogen_Bond_Donor_Count	0
210739	Exact_Mass	251.13438547
108137	TPSA	50.3
87535084	Molecular_Weight	114.14
7980	Covalent_Unit_Count	1
129856110	Defined_Atom_Stereo_Count	0
16759177	Non-hydrogen_Atom_Count	26
71449567	Mono_Isotopic_Weight	375.19804835
129746471	TPSA	21.8
5353831	Hydrogen_Bond_Donor_Count	2
7301	Hydrogen_Bond_Donor_Count	0
639420	Undefined_Bond_Stereo_Count	0
9942131	Non-hydrogen_Atom_Count	8
3257	Undefined_Bond_Stereo_Count	0
82406	Hydrogen_Bond_Donor_Count	0
70390	Exact_Mass	226.110613074
58752	Defined_Bond_Stereo_Count	0
668081	TPSA	61.8
91180913	Hydrogen_Bond_Acceptor_Count	3
75712	Covalent_Unit_Count	1
66840	Covalent_Unit_Count	1
181134	Hydrogen_Bond_Donor_Count	0
4676	Isotope_Atom_Count	0
122534114	Hydrogen_Bond_Donor_Count	8
38207	XLogP3-AA	3.6
23690430	Structure_Complexity	248
5699	Total_Formal_Charge	0
594781	Isotope_Atom_Count	0
3563	Non-hydrogen_Atom_Count	23
57865	Total_Formal_Charge	0
332	Covalent_Unit_Count	1
41881	Rotatable_Bond_Count	11
57400482	Hydrogen_Bond_Acceptor_Count	6
398514	Covalent_Unit_Count	1
31216	Total_Formal_Charge	0
3327	Undefined_Atom_Stereo_Count	0
57402652	Exact_Mass	349.0339557
67901	Mono_Isotopic_Weight	116.00851382
363121	Exact_Mass	236.07970687
12295224	Hydrogen_Bond_Donor_Count	1
4640670	Hydrogen_Bond_Acceptor_Count	6
54095609	Undefined_Bond_Stereo_Count	0
87386545	Defined_Atom_Stereo_Count	0
10844548	Isotope_Atom_Count	0
5464097	Molecular_Weight	402.5
137448	Hydrogen_Bond_Donor_Count	0
55300028	Non-hydrogen_Atom_Count	8
17549	Covalent_Unit_Count	1
12774278	Undefined_Atom_Stereo_Count	0
645691	Defined_Atom_Stereo_Count	0
153386860	Molecular_Weight	110.15
4409	TPSA	26.3
23662369	Defined_Atom_Stereo_Count	0
522662	Structure_Complexity	60.4
3082127	XLogP3-AA	2.4
7854	Hydrogen_Bond_Acceptor_Count	1
5318386	Tautomer_Count	1
31247	TPSA	26.3
470202	XLogP3	2.8
23134	Defined_Atom_Stereo_Count	0
15561101	Isotope_Atom_Count	0
8545	Structure_Complexity	368
82187	Isotope_Atom_Count	0
6096880	Defined_Bond_Stereo_Count	0
55297293	Non-hydrogen_Atom_Count	7
520902	Non-hydrogen_Atom_Count	12
928367	Rotatable_Bond_Count	0
11707110	Exact_Mass	615.07788
31243	Undefined_Bond_Stereo_Count	0
3288597	Non-hydrogen_Atom_Count	26
90774590	Defined_Atom_Stereo_Count	0
12029691	XLogP3-AA	4.9
6819	Undefined_Bond_Stereo_Count	0
9835303	Undefined_Atom_Stereo_Count	0
50894	XLogP3	0.9
8381	Defined_Atom_Stereo_Count	0
43454	Non-hydrogen_Atom_Count	19
68464	XLogP3-AA	3.5
141829	Exact_Mass	85.052763847
132035918	Undefined_Atom_Stereo_Count	0
69430	TPSA	40.9
71655	TPSA	101
7959	Covalent_Unit_Count	1
8199	Defined_Atom_Stereo_Count	0
7005019	Covalent_Unit_Count	1
94020	Total_Formal_Charge	0
44338967	Defined_Atom_Stereo_Count	0
4356	Hydrogen_Bond_Acceptor_Count	6
146675212	Mono_Isotopic_Weight	1221.14784090
14022497	Isotope_Atom_Count	0
93101	Covalent_Unit_Count	1
14517	Mono_Isotopic_Weight	121.032777294
12581088	Molecular_Weight	110.16
410615	Undefined_Atom_Stereo_Count	1
2907	Non-hydrogen_Atom_Count	14
82593562	Structure_Complexity	78.4
398516	Defined_Atom_Stereo_Count	0
135983	Total_Formal_Charge	0
129649958	Exact_Mass	111.043261792
7284	Total_Formal_Charge	0
13204	Exact_Mass	114.068079557
9601226	Isotope_Atom_Count	0
52940883	Exact_Mass	355.11323305
71222	Hydrogen_Bond_Acceptor_Count	6
113917	Non-hydrogen_Atom_Count	23
454216	Exact_Mass	723.21387469
667	Hydrogen_Bond_Donor_Count	11
107807	Structure_Complexity	524
44560771	Mono_Isotopic_Weight	362.14126175
31200	Undefined_Atom_Stereo_Count	0
94671	Undefined_Atom_Stereo_Count	0
5324277	Exact_Mass	87.068413911
66541	Hydrogen_Bond_Acceptor_Count	3
39985	Mono_Isotopic_Weight	340.0269143
79161	Undefined_Atom_Stereo_Count	0
12642	Exact_Mass	106.0185425
55285	Hydrogen_Bond_Acceptor_Count	4
4175	Mono_Isotopic_Weight	388.26135963
12674802	TPSA	12.9
37631	Defined_Bond_Stereo_Count	0
8855	Mono_Isotopic_Weight	106.0185425
64738	Non-hydrogen_Atom_Count	21
130147045	Hydrogen_Bond_Donor_Count	1
10013505	Rotatable_Bond_Count	1
4535	Molecular_Weight	265.3
11434920	Total_Formal_Charge	0
92174	XLogP3-AA	1.6
9806190	Molecular_Weight	505.6
441289	Molecular_Weight	572.9
54149606	Covalent_Unit_Count	1
447458	Rotatable_Bond_Count	9
6980	XLogP3	2.5
243400	Mono_Isotopic_Weight	164.0604073
18704550	Undefined_Atom_Stereo_Count	0
33251	Covalent_Unit_Count	1
19429	TPSA	0
13400858	Structure_Complexity	77.4
230351	Mono_Isotopic_Weight	132.078644241
12369	Structure_Complexity	35.4
69396	Total_Formal_Charge	0
61008	Undefined_Atom_Stereo_Count	0
11446305	TPSA	33
57318251	Isotope_Atom_Count	0
8870	Undefined_Bond_Stereo_Count	0
90472770	Defined_Atom_Stereo_Count	4
6278	Isotope_Atom_Count	0
135413545	Covalent_Unit_Count	5
6473973	Non-hydrogen_Atom_Count	47
10634	Total_Formal_Charge	0
9821174	Molecular_Weight	379.5
47628	Covalent_Unit_Count	1
524629	Exact_Mass	98.109550447
13916	Defined_Bond_Stereo_Count	0
72849	TPSA	0
82650926	Total_Formal_Charge	0
10011883	Isotope_Atom_Count	0
53692307	Hydrogen_Bond_Donor_Count	0
445575	Molecular_Weight	388.5
566136	Mono_Isotopic_Weight	112.088815002
867	TPSA	74.6
67589	Defined_Atom_Stereo_Count	0
9961766	Hydrogen_Bond_Acceptor_Count	9
6450830	Rotatable_Bond_Count	8
5360696	Defined_Atom_Stereo_Count	3
534954	Total_Formal_Charge	0
10755924	Structure_Complexity	447
12942137	Total_Formal_Charge	0
77342	Covalent_Unit_Count	1
517165	Defined_Bond_Stereo_Count	0
98043898	Isotope_Atom_Count	0
57351929	Total_Formal_Charge	0
13432	Covalent_Unit_Count	1
36314	TPSA	221
6950578	Molecular_Weight	181.19
7381	Defined_Bond_Stereo_Count	0
135436542	Total_Formal_Charge	0
67568	Hydrogen_Bond_Acceptor_Count	2
40466884	Isotope_Atom_Count	0
25256832	TPSA	100
13385	Undefined_Bond_Stereo_Count	0
72048	Hydrogen_Bond_Donor_Count	4
413547	Exact_Mass	231.186123742
18414852	Undefined_Atom_Stereo_Count	0
126547509	Undefined_Atom_Stereo_Count	0
71309927	Undefined_Bond_Stereo_Count	0
11672905	Undefined_Bond_Stereo_Count	0
148837046	TPSA	64.9
46884664	Isotope_Atom_Count	0
160312	XLogP3-AA	3.7
23950	Mono_Isotopic_Weight	101.904340
667467	XLogP3	5.2
10953450	Molecular_Weight	110.11
49799987	Covalent_Unit_Count	2
4961823	Isotope_Atom_Count	0
81981	Covalent_Unit_Count	1
9136	Structure_Complexity	266
10286834	XLogP3-AA	3.2
60712	Hydrogen_Bond_Donor_Count	2
12492	Isotope_Atom_Count	0
22328014	Exact_Mass	114.00654193
133268492	Hydrogen_Bond_Donor_Count	3
637517	Non-hydrogen_Atom_Count	20
5388510	Mono_Isotopic_Weight	222.0811428
88396	Isotope_Atom_Count	0
69442897	Total_Formal_Charge	0
528403	TPSA	26
308140	Undefined_Atom_Stereo_Count	0
17779280	TPSA	51.2
535022	Defined_Atom_Stereo_Count	0
54580844	Total_Formal_Charge	0
10558590	Mono_Isotopic_Weight	113.084063974
98615047	XLogP3-AA	4
13625	Defined_Bond_Stereo_Count	0
62517	Molecular_Weight	578.4
56518	Exact_Mass	277.1233420
15690647	Undefined_Atom_Stereo_Count	0
2734171	Rotatable_Bond_Count	3
6426	Hydrogen_Bond_Acceptor_Count	2
23160101	Defined_Atom_Stereo_Count	0
2423	Undefined_Atom_Stereo_Count	2
70144	Hydrogen_Bond_Donor_Count	0
88976	Defined_Bond_Stereo_Count	0
94213	Defined_Atom_Stereo_Count	0
8761	Covalent_Unit_Count	1
73830	Total_Formal_Charge	0
72849	Non-hydrogen_Atom_Count	19
13968540	Isotope_Atom_Count	0
12311253	Defined_Bond_Stereo_Count	0
946898	Mono_Isotopic_Weight	307.17969569
25116191	Structure_Complexity	507
87491756	Non-hydrogen_Atom_Count	8
71469	Hydrogen_Bond_Donor_Count	14
184822	Hydrogen_Bond_Donor_Count	3
18381542	Non-hydrogen_Atom_Count	28
123239	Non-hydrogen_Atom_Count	11
53484567	Molecular_Weight	114.14
66588767	Defined_Atom_Stereo_Count	0
31803	Isotope_Atom_Count	0
78979	Total_Formal_Charge	0
15436	XLogP3-AA	1.3
88481085	Mono_Isotopic_Weight	424.37925923
124174523	Isotope_Atom_Count	0
11189402	Hydrogen_Bond_Acceptor_Count	8
3316	Total_Formal_Charge	0
145721938	Structure_Complexity	596
12604	Rotatable_Bond_Count	10
3731	Defined_Bond_Stereo_Count	0
118689592	Structure_Complexity	1220
169952	Total_Formal_Charge	0
2546	TPSA	112
2779024	Hydrogen_Bond_Acceptor_Count	5
71248	TPSA	91.9
82185	Molecular_Weight	115.13
23662274	Undefined_Atom_Stereo_Count	0
57291121	Total_Formal_Charge	0
81946	Structure_Complexity	268
70676631	Covalent_Unit_Count	3
37888454	TPSA	107
89159	Covalent_Unit_Count	1
3049771	Non-hydrogen_Atom_Count	12
49862519	XLogP3-AA	4.7
5282549	Covalent_Unit_Count	1
135942119	Exact_Mass	533.98283616
71911	Covalent_Unit_Count	1
3788074	Isotope_Atom_Count	0
132236745	Exact_Mass	112.100048391
87663190	Undefined_Atom_Stereo_Count	0
75059709	Total_Formal_Charge	0
118218024	Structure_Complexity	1720
5284518	Mono_Isotopic_Weight	348.23727013
8757	Hydrogen_Bond_Donor_Count	0
3913	Undefined_Bond_Stereo_Count	0
140557163	Mono_Isotopic_Weight	94.078250319
92363	Undefined_Bond_Stereo_Count	0
24883429	Undefined_Atom_Stereo_Count	0
5488186	Non-hydrogen_Atom_Count	17
60653	Undefined_Atom_Stereo_Count	1
7879	Rotatable_Bond_Count	34
70443535	Covalent_Unit_Count	1
23687325	Defined_Atom_Stereo_Count	4
21864086	Undefined_Bond_Stereo_Count	0
6405	Total_Formal_Charge	0
78352	Defined_Bond_Stereo_Count	0
91239905	Rotatable_Bond_Count	0
91168961	Total_Formal_Charge	0
758641	Isotope_Atom_Count	0
5323977	Mono_Isotopic_Weight	114.042927438
9153	Non-hydrogen_Atom_Count	20
40666	Structure_Complexity	299
11192	Hydrogen_Bond_Acceptor_Count	4
151257062	Total_Formal_Charge	0
5460094	Exact_Mass	527.23263824
76507	XLogP3-AA	0
6356	Mono_Isotopic_Weight	68.0045147
2766847	Covalent_Unit_Count	1
92112	Undefined_Atom_Stereo_Count	0
17754438	Undefined_Bond_Stereo_Count	0
19927	Hydrogen_Bond_Acceptor_Count	1
5462222	Non-hydrogen_Atom_Count	1
9812772	Rotatable_Bond_Count	2
58391580	XLogP3-AA	0.7
9798098	Undefined_Atom_Stereo_Count	0
5573	Defined_Atom_Stereo_Count	0
72002	Hydrogen_Bond_Donor_Count	2
16490	Undefined_Atom_Stereo_Count	0
91668	Hydrogen_Bond_Donor_Count	0
38882	Hydrogen_Bond_Donor_Count	4
6436223	Non-hydrogen_Atom_Count	44
3776755	Defined_Bond_Stereo_Count	0
12359154	Undefined_Atom_Stereo_Count	0
26362	TPSA	25.8
81242	Undefined_Bond_Stereo_Count	0
139194774	Non-hydrogen_Atom_Count	8
232080	Hydrogen_Bond_Donor_Count	1
10430	XLogP3	1.2
98559	Total_Formal_Charge	0
39507	Exact_Mass	370.25079494
72734520	Isotope_Atom_Count	0
23349	XLogP3-AA	0.3
4294	Hydrogen_Bond_Donor_Count	4
11963557	Total_Formal_Charge	0
44909	Hydrogen_Bond_Donor_Count	1
23993	Defined_Bond_Stereo_Count	0
31298	Total_Formal_Charge	0
10325129	Undefined_Atom_Stereo_Count	1
14833	Covalent_Unit_Count	5
140568	Undefined_Bond_Stereo_Count	0
529264	TPSA	29.5
118946	Defined_Bond_Stereo_Count	0
8163	Molecular_Weight	170.29
54929	Rotatable_Bond_Count	6
433294	Covalent_Unit_Count	2
12190	Defined_Bond_Stereo_Count	0
107647	Total_Formal_Charge	0
53386	Covalent_Unit_Count	1
2321753	Hydrogen_Bond_Donor_Count	1
53992	Undefined_Bond_Stereo_Count	0
24916869	Hydrogen_Bond_Acceptor_Count	5
10964421	Undefined_Atom_Stereo_Count	0
6957610	Molecular_Weight	294.4
517304	Exact_Mass	768.36893846
3083444	Hydrogen_Bond_Acceptor_Count	49
99342	TPSA	24.1
537142	Undefined_Bond_Stereo_Count	0
87569740	Undefined_Atom_Stereo_Count	0
9576412	Total_Formal_Charge	0
61293	Undefined_Bond_Stereo_Count	0
95043	Defined_Bond_Stereo_Count	0
80201	Mono_Isotopic_Weight	210.08920892
558889	Defined_Bond_Stereo_Count	0
100413	Total_Formal_Charge	0
96405	Covalent_Unit_Count	1
13707481	Undefined_Atom_Stereo_Count	0
53318410	Molecular_Weight	253.29
91770	Total_Formal_Charge	0
1291	Isotope_Atom_Count	0
129854350	Mono_Isotopic_Weight	110.048012819
44590403	Defined_Atom_Stereo_Count	0
5460482	Structure_Complexity	90.4
9571109	Defined_Bond_Stereo_Count	1
10057607	Defined_Atom_Stereo_Count	0
56843466	TPSA	132
3081185	Molecular_Weight	283.34
25780	Defined_Atom_Stereo_Count	0
9952193	Rotatable_Bond_Count	6
5282045	Isotope_Atom_Count	0
7756	Hydrogen_Bond_Acceptor_Count	2
12298558	Non-hydrogen_Atom_Count	8
636367	Total_Formal_Charge	0
7915	Molecular_Weight	102.13
21466942	Mono_Isotopic_Weight	103.063328530
67547	Defined_Atom_Stereo_Count	0
90127741	Undefined_Bond_Stereo_Count	0
72860	TPSA	9.2
66275	Molecular_Weight	285.8
11969781	Rotatable_Bond_Count	7
20299	Defined_Atom_Stereo_Count	0
5352845	XLogP3-AA	4.6
60196297	TPSA	86.8
7405	Defined_Atom_Stereo_Count	1
10612	Defined_Atom_Stereo_Count	0
71300750	TPSA	224
82291	Mono_Isotopic_Weight	93.0345270
129872373	XLogP3-AA	0.2
11480403	Defined_Bond_Stereo_Count	0
285366	Undefined_Bond_Stereo_Count	0
16760153	TPSA	43.4
18555	Rotatable_Bond_Count	0
97456	XLogP3-AA	4.5
54758307	Isotope_Atom_Count	0
6438149	Mono_Isotopic_Weight	368.21988874
3489	Hydrogen_Bond_Acceptor_Count	6
12302654	Molecular_Weight	342.30
10080333	Molecular_Weight	100.16
10417847	Defined_Atom_Stereo_Count	0
21718270	Mono_Isotopic_Weight	116.058577502
219078	Rotatable_Bond_Count	6
164608	Total_Formal_Charge	0
5460094	Undefined_Atom_Stereo_Count	1
6604914	Mono_Isotopic_Weight	309.1244046
20056755	Defined_Bond_Stereo_Count	0
18781684	Isotope_Atom_Count	0
118499237	Undefined_Atom_Stereo_Count	0
132892	Undefined_Atom_Stereo_Count	1
19935912	Structure_Complexity	209
3653077	Undefined_Bond_Stereo_Count	0
56658717	Total_Formal_Charge	0
3048339	Non-hydrogen_Atom_Count	17
168354	Covalent_Unit_Count	1
24198694	Non-hydrogen_Atom_Count	28
13039	Tautomer_Count	3
516872	Molecular_Weight	97.18
138041	Defined_Bond_Stereo_Count	0
4684505	Undefined_Atom_Stereo_Count	0
72518	Hydrogen_Bond_Donor_Count	5
46856306	TPSA	104
21789	Hydrogen_Bond_Acceptor_Count	2
704316	Undefined_Bond_Stereo_Count	1
590596	Undefined_Bond_Stereo_Count	0
14743344	Undefined_Atom_Stereo_Count	0
1292	Structure_Complexity	138
59850618	Defined_Bond_Stereo_Count	0
23695542	TPSA	74.8
129629634	Rotatable_Bond_Count	0
18727536	Undefined_Atom_Stereo_Count	0
637552	TPSA	45.6
17994637	Isotope_Atom_Count	0
18323753	Exact_Mass	108.032362755
5732	Molecular_Weight	307.4
2724	Total_Formal_Charge	0
7311	Structure_Complexity	206
2764874	Covalent_Unit_Count	1
14282994	TPSA	32.8
10342	Molecular_Weight	88.11
16683978	Hydrogen_Bond_Acceptor_Count	4
67818	Molecular_Weight	364.06
56769	TPSA	0
316975	Defined_Bond_Stereo_Count	0
9907412	Hydrogen_Bond_Acceptor_Count	4
138517092	Undefined_Atom_Stereo_Count	0
13240378	Exact_Mass	150.128274515
11686295	Isotope_Atom_Count	0
13132266	Total_Formal_Charge	0
88091	TPSA	20.2
115817	Exact_Mass	412.0262629
9869776	Isotope_Atom_Count	0
330654	Non-hydrogen_Atom_Count	7
12647151	Covalent_Unit_Count	1
39176	Exact_Mass	114.104465066
65217	Undefined_Bond_Stereo_Count	0
138672	Non-hydrogen_Atom_Count	7
54143259	Non-hydrogen_Atom_Count	7
139031529	XLogP3	0.7
14591	Rotatable_Bond_Count	5
81150	Structure_Complexity	415
124956	TPSA	59.1
4878	Molecular_Weight	301.77
3012	Rotatable_Bond_Count	5
68589	Molecular_Weight	444.7
100156	Molecular_Weight	346.29
11957468	Structure_Complexity	805
55416	Undefined_Bond_Stereo_Count	0
46184986	Covalent_Unit_Count	1
57473238	Hydrogen_Bond_Donor_Count	1
20689	Exact_Mass	190.12656044
78422653	Covalent_Unit_Count	1
90449	Covalent_Unit_Count	2
75605138	Exact_Mass	428.0618375
5352135	Covalent_Unit_Count	1
123525	Hydrogen_Bond_Acceptor_Count	1
6403	Undefined_Atom_Stereo_Count	0
163050678	Defined_Atom_Stereo_Count	8
12443	Molecular_Weight	463.70
54445182	Defined_Bond_Stereo_Count	0
11083864	Undefined_Atom_Stereo_Count	0
259360	Total_Formal_Charge	0
18616638	Structure_Complexity	91.5
61347	Rotatable_Bond_Count	3
96301	Structure_Complexity	401
19928662	Hydrogen_Bond_Donor_Count	1
126521	Defined_Bond_Stereo_Count	0
138106567	Structure_Complexity	1120
7636	Molecular_Weight	184.27
12265	Covalent_Unit_Count	1
2798315	Exact_Mass	284.02893460
140738	Molecular_Weight	114.19
22986609	Defined_Atom_Stereo_Count	0
84339	Rotatable_Bond_Count	2
725692	Undefined_Atom_Stereo_Count	0
94292	Hydrogen_Bond_Donor_Count	1
146395	Rotatable_Bond_Count	8
10818	Rotatable_Bond_Count	1
32698	Undefined_Bond_Stereo_Count	0
16212088	Non-hydrogen_Atom_Count	12
8510	Non-hydrogen_Atom_Count	20
521131	Mono_Isotopic_Weight	78.02810645
51402807	Non-hydrogen_Atom_Count	33
71578106	Covalent_Unit_Count	1
12701395	Undefined_Bond_Stereo_Count	0
6289935	Total_Formal_Charge	0
9935	XLogP3	1.8
11382710	Non-hydrogen_Atom_Count	24
7342	Hydrogen_Bond_Acceptor_Count	2
84591	XLogP3-AA	0
96523	Undefined_Atom_Stereo_Count	0
20118	Tautomer_Count	2
6473	Defined_Bond_Stereo_Count	0
5464186	Undefined_Atom_Stereo_Count	0
68486699	Undefined_Bond_Stereo_Count	0
35329	Non-hydrogen_Atom_Count	39
129722163	Covalent_Unit_Count	3
90997437	TPSA	60.7
128815	Covalent_Unit_Count	1
129628397	Undefined_Bond_Stereo_Count	0
5366074	Undefined_Bond_Stereo_Count	0
10459820	Molecular_Weight	536.5
89240655	Hydrogen_Bond_Acceptor_Count	2
80009	Rotatable_Bond_Count	0
13379	Total_Formal_Charge	0
3862645	Rotatable_Bond_Count	6
8181	Mono_Isotopic_Weight	270.255880323
6077765	Defined_Bond_Stereo_Count	1
564184	Molecular_Weight	92.10
4141306	TPSA	133
57070769	Defined_Atom_Stereo_Count	8
77674	Hydrogen_Bond_Acceptor_Count	1
6620134	Structure_Complexity	702
66616	Defined_Bond_Stereo_Count	0
21585658	Undefined_Bond_Stereo_Count	0
23545756	Structure_Complexity	78.1
643968	Mono_Isotopic_Weight	246.06519962
5404	Exact_Mass	531.1803953
4747	Defined_Atom_Stereo_Count	0
80472094	Structure_Complexity	110
54682468	Total_Formal_Charge	0
25227436	Molecular_Weight	428.9
11768551	Exact_Mass	116.083729621
123385	Defined_Bond_Stereo_Count	0
92158	Tautomer_Count	2
224242	Mono_Isotopic_Weight	100.088815002
87110	Rotatable_Bond_Count	0
78723	Hydrogen_Bond_Donor_Count	1
72941511	TPSA	290
20339874	Defined_Bond_Stereo_Count	0
23434975	Covalent_Unit_Count	1
31842	Undefined_Atom_Stereo_Count	5
89512131	Isotope_Atom_Count	0
23080859	Non-hydrogen_Atom_Count	8
36342	Total_Formal_Charge	0
55483	Undefined_Atom_Stereo_Count	0
92089	Hydrogen_Bond_Acceptor_Count	5
101176453	Rotatable_Bond_Count	15
23103366	Undefined_Bond_Stereo_Count	0
12685	Exact_Mass	152.06023127
53667577	Defined_Atom_Stereo_Count	0
6444826	Structure_Complexity	516
53435617	Molecular_Weight	290.3
45934626	Covalent_Unit_Count	1
44349928	Structure_Complexity	251
887824	Structure_Complexity	377
537505	Rotatable_Bond_Count	1
66603	Exact_Mass	247.877940
47721	Defined_Bond_Stereo_Count	0
19266	Structure_Complexity	207
5466139	Covalent_Unit_Count	1
91662	Defined_Bond_Stereo_Count	0
11915	Covalent_Unit_Count	1
154474735	Non-hydrogen_Atom_Count	7
6113	Isotope_Atom_Count	0
41377	Hydrogen_Bond_Acceptor_Count	1
11194307	Undefined_Atom_Stereo_Count	1
10415	TPSA	12
23622607	Undefined_Bond_Stereo_Count	0
102552746	Molecular_Weight	416.6
5414	Mono_Isotopic_Weight	306.24062418
99564	Tautomer_Count	1
84002	Structure_Complexity	335
15008962	Molecular_Weight	405.4
12256033	Covalent_Unit_Count	1
37612	XLogP3-AA	5.1
11987858	Rotatable_Bond_Count	0
118014937	Undefined_Bond_Stereo_Count	0
146159249	Mono_Isotopic_Weight	373.22530847
92395	TPSA	119
6427080	Undefined_Atom_Stereo_Count	0
69833	Exact_Mass	114.104465066
136120826	Mono_Isotopic_Weight	98.02286070
68714	Defined_Bond_Stereo_Count	0
45375806	Hydrogen_Bond_Acceptor_Count	11
90754	Isotope_Atom_Count	0
67108132	Total_Formal_Charge	0
124402108	Structure_Complexity	382
16051	Defined_Atom_Stereo_Count	0
550815	Hydrogen_Bond_Donor_Count	2
53639246	Total_Formal_Charge	0
9578	TPSA	0
10309028	Defined_Atom_Stereo_Count	0
107977	Structure_Complexity	110
9841	Isotope_Atom_Count	0
7048703	TPSA	97.2
91788	Isotope_Atom_Count	0
14382273	Molecular_Weight	116.16
135616187	Defined_Bond_Stereo_Count	2
60059	Hydrogen_Bond_Donor_Count	0
11989572	Defined_Atom_Stereo_Count	0
13040869	Covalent_Unit_Count	1
10180	Undefined_Atom_Stereo_Count	0
643918	Undefined_Atom_Stereo_Count	0
91395	Structure_Complexity	1170
81850	Mono_Isotopic_Weight	198.0083718
66587385	Non-hydrogen_Atom_Count	7
449381	Non-hydrogen_Atom_Count	20
68401	Total_Formal_Charge	0
23677927	Tautomer_Count	1
39528	Tautomer_Count	3
57396150	Molecular_Weight	462.6
670580	Hydrogen_Bond_Donor_Count	0
10129	Covalent_Unit_Count	1
4038	Total_Formal_Charge	0
94987	Total_Formal_Charge	0
11287722	Exact_Mass	232.10341969
9917968	Hydrogen_Bond_Donor_Count	6
3741	TPSA	200
549699	Hydrogen_Bond_Acceptor_Count	1
439182	Defined_Atom_Stereo_Count	4
125286695	Covalent_Unit_Count	1
16682740	Non-hydrogen_Atom_Count	17
7209	Non-hydrogen_Atom_Count	37
2006	TPSA	121
9871420	Undefined_Bond_Stereo_Count	0
35267	Isotope_Atom_Count	0
13059052	Mono_Isotopic_Weight	380.177630004
817	Molecular_Weight	238.19
3953	Non-hydrogen_Atom_Count	21
5330175	Non-hydrogen_Atom_Count	31
6918331	Tautomer_Count	1
15657909	Covalent_Unit_Count	1
14283774	Isotope_Atom_Count	0
5355751	Isotope_Atom_Count	0
5713	TPSA	106
616630	Hydrogen_Bond_Donor_Count	2
56427	Defined_Atom_Stereo_Count	0
5366244	Hydrogen_Bond_Donor_Count	1
4017	Undefined_Atom_Stereo_Count	15
156419	Non-hydrogen_Atom_Count	26
1268142	Defined_Atom_Stereo_Count	3
8936	Defined_Bond_Stereo_Count	0
64962	Defined_Bond_Stereo_Count	0
25262965	Hydrogen_Bond_Donor_Count	1
3683	Hydrogen_Bond_Donor_Count	1
123309341	Mono_Isotopic_Weight	110.048012819
135621748	Hydrogen_Bond_Acceptor_Count	2
741	Total_Formal_Charge	0
94625	Hydrogen_Bond_Donor_Count	0
6920143	Defined_Atom_Stereo_Count	1
1012	Hydrogen_Bond_Donor_Count	10
158144361	TPSA	40.5
11698194	Hydrogen_Bond_Donor_Count	2
5978	Defined_Bond_Stereo_Count	0
76430	Structure_Complexity	50.1
11886769	Covalent_Unit_Count	1
6340	Covalent_Unit_Count	1
7413	Hydrogen_Bond_Acceptor_Count	2
18186100	Mono_Isotopic_Weight	101.00476828
22580	Defined_Atom_Stereo_Count	0
99069	Covalent_Unit_Count	1
163872485	Structure_Complexity	2330
86446	Hydrogen_Bond_Donor_Count	0
652019	Structure_Complexity	781
49849523	Isotope_Atom_Count	3
31823	XLogP3-AA	5.5
163940165	Hydrogen_Bond_Acceptor_Count	1
68723	Hydrogen_Bond_Donor_Count	1
21702831	Hydrogen_Bond_Acceptor_Count	1
45480375	Covalent_Unit_Count	1
10235	Isotope_Atom_Count	0
182069	Undefined_Bond_Stereo_Count	0
10125048	Hydrogen_Bond_Donor_Count	2
44299	Non-hydrogen_Atom_Count	30
12581088	Exact_Mass	110.084398327
446201	Non-hydrogen_Atom_Count	49
60870	Mono_Isotopic_Weight	420.11437830
22123474	Defined_Atom_Stereo_Count	0
642975	Molecular_Weight	126.20
123754760	Hydrogen_Bond_Donor_Count	0
243400	TPSA	26.3
54558427	TPSA	46.5
7524	Total_Formal_Charge	0
54515893	Structure_Complexity	118
5362893	Defined_Atom_Stereo_Count	0
15842094	XLogP3-AA	8
53904133	Total_Formal_Charge	0
23622962	Exact_Mass	874.54474508
4678	Undefined_Bond_Stereo_Count	0
63853	Molecular_Weight	363.4
130991	Structure_Complexity	1150
67495	Molecular_Weight	198.29
4145994	Exact_Mass	340.03813897
76700	Defined_Bond_Stereo_Count	0
2769656	Covalent_Unit_Count	1
5742590	Undefined_Bond_Stereo_Count	0
1450	Covalent_Unit_Count	1
20216100	Rotatable_Bond_Count	0
19736925	Total_Formal_Charge	0
22553	Exact_Mass	201.0920418
19814	Isotope_Atom_Count	0
22078	Exact_Mass	199.0400063
11990	Rotatable_Bond_Count	0
5460024	Isotope_Atom_Count	0
23629960	Mono_Isotopic_Weight	368.15968852
76539	Covalent_Unit_Count	1
146199	Defined_Bond_Stereo_Count	0
57396593	TPSA	78.7
92153	Rotatable_Bond_Count	22
657085	Covalent_Unit_Count	1
10295970	Structure_Complexity	523
9931	Hydrogen_Bond_Donor_Count	0
139244568	Hydrogen_Bond_Donor_Count	1
42008	Defined_Bond_Stereo_Count	0
139852	Mono_Isotopic_Weight	93.057849228
23691029	Non-hydrogen_Atom_Count	16
135430308	Defined_Atom_Stereo_Count	0
23896	Defined_Bond_Stereo_Count	0
11954310	Structure_Complexity	807
10907686	Exact_Mass	110.073164938
75320	Defined_Bond_Stereo_Count	0
564206	Isotope_Atom_Count	0
9889366	Molecular_Weight	438.6
1711921	XLogP3-AA	0.4
90181814	Hydrogen_Bond_Acceptor_Count	2
64350	Hydrogen_Bond_Donor_Count	3
118208260	Rotatable_Bond_Count	2
9548590	Isotope_Atom_Count	0
55288485	Defined_Bond_Stereo_Count	0
11126361	Defined_Atom_Stereo_Count	2
16653	Non-hydrogen_Atom_Count	12
5248048	Hydrogen_Bond_Acceptor_Count	1
14106	Undefined_Bond_Stereo_Count	0
164512	Total_Formal_Charge	0
6505	Total_Formal_Charge	0
5568	Rotatable_Bond_Count	4
12948	Isotope_Atom_Count	0
159977	Defined_Bond_Stereo_Count	0
2396	Exact_Mass	412.18992602
77097	Isotope_Atom_Count	0
14066	Undefined_Atom_Stereo_Count	0
11779028	Structure_Complexity	472
68705	Hydrogen_Bond_Donor_Count	1
124762103	Exact_Mass	342.11621151
93130	Isotope_Atom_Count	0
4736391	Exact_Mass	98.048012819
67409219	XLogP3-AA	4.1
54687772	Undefined_Bond_Stereo_Count	0
728	Hydrogen_Bond_Donor_Count	0
19607	Rotatable_Bond_Count	8
5311345	Undefined_Atom_Stereo_Count	0
6328234	Hydrogen_Bond_Donor_Count	0
28674	Isotope_Atom_Count	0
81459	Rotatable_Bond_Count	1
57391554	Defined_Bond_Stereo_Count	0
31416	Rotatable_Bond_Count	4
13129	Hydrogen_Bond_Donor_Count	0
19933	Structure_Complexity	238
6515	Undefined_Atom_Stereo_Count	0
84647681	TPSA	38.3
9926054	Undefined_Atom_Stereo_Count	0
66537	Defined_Bond_Stereo_Count	0
6409631	Covalent_Unit_Count	1
63400	Non-hydrogen_Atom_Count	24
522354	Undefined_Atom_Stereo_Count	0
5311466	TPSA	65.5
153238571	Undefined_Atom_Stereo_Count	2
6437065	Molecular_Weight	441.5
12695	Defined_Bond_Stereo_Count	0
642623	TPSA	46.5
6292	Exact_Mass	250.110613074
145278326	Defined_Atom_Stereo_Count	0
8024	XLogP3-AA	1.3
460603	Molecular_Weight	496.6
68861	Mono_Isotopic_Weight	311.188529040
21496049	Covalent_Unit_Count	1
79015	Exact_Mass	48.021129366
542317	Molecular_Weight	132.16
113	Exact_Mass	213.98785418
439504	Mono_Isotopic_Weight	915.51914999
138106991	Total_Formal_Charge	0
5372600	Hydrogen_Bond_Acceptor_Count	2
14449398	Exact_Mass	116.01860440
650201	Molecular_Weight	395.5
88043987	Undefined_Atom_Stereo_Count	3
443156	Hydrogen_Bond_Acceptor_Count	0
47198	Hydrogen_Bond_Acceptor_Count	2
31202	Exact_Mass	395.3318782
24892775	Exact_Mass	530.07027744
11527661	Non-hydrogen_Atom_Count	37
154404053	Undefined_Bond_Stereo_Count	0
441350	Rotatable_Bond_Count	3
75516	Undefined_Atom_Stereo_Count	0
10102486	Undefined_Bond_Stereo_Count	0
29877	Mono_Isotopic_Weight	180.089877630
103015	Exact_Mass	302.17293854
16134395	Undefined_Atom_Stereo_Count	0
62978	TPSA	175
97736	Tautomer_Count	3
135491830	Defined_Bond_Stereo_Count	1
123752006	Mono_Isotopic_Weight	108.093900383
139202065	Exact_Mass	714.14991168
54216748	Rotatable_Bond_Count	2
11340940	Total_Formal_Charge	0
40218	Total_Formal_Charge	0
5483	TPSA	67.4
12025	Undefined_Atom_Stereo_Count	0
21584701	Tautomer_Count	1
52230	Non-hydrogen_Atom_Count	21
78961	Hydrogen_Bond_Acceptor_Count	0
29911	Molecular_Weight	828.5
10997868	Defined_Atom_Stereo_Count	0
192925	Hydrogen_Bond_Acceptor_Count	1
38666	Molecular_Weight	370.1
5289373	TPSA	97.7
31811	TPSA	113
8925	Hydrogen_Bond_Donor_Count	0
76819	Rotatable_Bond_Count	2
12559270	Total_Formal_Charge	0
11364421	Undefined_Bond_Stereo_Count	0
165574	Undefined_Atom_Stereo_Count	2
22848362	Exact_Mass	361.0328700
90843502	Mono_Isotopic_Weight	112.052429494
69267	Mono_Isotopic_Weight	153.042593085
10252	Defined_Bond_Stereo_Count	0
688107	Mono_Isotopic_Weight	226.9985354
51299	Non-hydrogen_Atom_Count	13
3243	Hydrogen_Bond_Acceptor_Count	2
54581775	Structure_Complexity	488
88740	Undefined_Atom_Stereo_Count	0
124201874	Undefined_Bond_Stereo_Count	0
123525	Tautomer_Count	1
162681	Exact_Mass	248.11494430
71945	Undefined_Bond_Stereo_Count	0
11073353	Rotatable_Bond_Count	1
66687596	TPSA	43.4
346	Non-hydrogen_Atom_Count	19
719044	Mono_Isotopic_Weight	217.09635999
12333	Rotatable_Bond_Count	2
19998	Rotatable_Bond_Count	2
90438	Isotope_Atom_Count	0
3033984	Hydrogen_Bond_Donor_Count	1
99609	Defined_Bond_Stereo_Count	0
55290897	Undefined_Atom_Stereo_Count	0
20329340	Undefined_Atom_Stereo_Count	0
20055294	Tautomer_Count	1
124723	Hydrogen_Bond_Acceptor_Count	3
10297065	Non-hydrogen_Atom_Count	30
9923	XLogP3-AA	1.5
6338	Hydrogen_Bond_Donor_Count	0
4543	TPSA	12
1013432	Rotatable_Bond_Count	4
13871	Total_Formal_Charge	0
16161315	Rotatable_Bond_Count	26
46882191	Structure_Complexity	560
122903	Defined_Bond_Stereo_Count	0
23675796	Exact_Mass	295.99666808
68198	Structure_Complexity	429
5464343	Defined_Bond_Stereo_Count	0
64502	Undefined_Atom_Stereo_Count	0
115368	Hydrogen_Bond_Donor_Count	0
9353	Hydrogen_Bond_Donor_Count	2
27304	TPSA	135
13282	Molecular_Weight	250.19
12385064	Non-hydrogen_Atom_Count	8
95455	Covalent_Unit_Count	1
97234	XLogP3	1.4
7232	Structure_Complexity	244
398631	XLogP3-AA	5
8692	Defined_Bond_Stereo_Count	0
55289163	Mono_Isotopic_Weight	114.079312947
12734	Defined_Atom_Stereo_Count	0
14989482	TPSA	20.2
123891134	Covalent_Unit_Count	1
84597	Covalent_Unit_Count	1
45934310	Hydrogen_Bond_Donor_Count	5
120096	Isotope_Atom_Count	0
9576410	Undefined_Bond_Stereo_Count	0
28689	Covalent_Unit_Count	1
33137	Rotatable_Bond_Count	2
45788574	Defined_Atom_Stereo_Count	0
20563296	Defined_Atom_Stereo_Count	0
439312	Molecular_Weight	180.16
536549	Isotope_Atom_Count	0
123788466	Mono_Isotopic_Weight	95.048347172
4920	Defined_Atom_Stereo_Count	0
123966800	Rotatable_Bond_Count	0
5311281	Undefined_Bond_Stereo_Count	0
933147	Mono_Isotopic_Weight	293.0138088
17407	Undefined_Atom_Stereo_Count	0
48103	Mono_Isotopic_Weight	295.1105844
2378095	Covalent_Unit_Count	1
53665290	Exact_Mass	108.043596145
79919	Covalent_Unit_Count	1
66214	Tautomer_Count	1
76355	Exact_Mass	114.068079557
79608	Rotatable_Bond_Count	0
182339	Hydrogen_Bond_Donor_Count	1
53325997	Structure_Complexity	695
12695798	Total_Formal_Charge	0
123297087	Rotatable_Bond_Count	0
12270637	Hydrogen_Bond_Acceptor_Count	2
11000531	Mono_Isotopic_Weight	283.08445790
7015191	TPSA	69.1
3000479	Total_Formal_Charge	0
56680336	Isotope_Atom_Count	0
42553	Non-hydrogen_Atom_Count	24
6603720	Tautomer_Count	4
741	TPSA	426
4437318	Undefined_Atom_Stereo_Count	0
9284	Structure_Complexity	330
9918460	Exact_Mass	747.47822867
131839562	Hydrogen_Bond_Acceptor_Count	13
225161	Undefined_Atom_Stereo_Count	0
4514	Exact_Mass	412.1302182
16683028	Isotope_Atom_Count	0
3014096	XLogP3	2.8
89144	Structure_Complexity	216
443003	Rotatable_Bond_Count	1
88287569	Mono_Isotopic_Weight	112.088815002
7356	Total_Formal_Charge	0
90558	Hydrogen_Bond_Acceptor_Count	4
22356182	Defined_Bond_Stereo_Count	0
7832	Isotope_Atom_Count	0
443151	Non-hydrogen_Atom_Count	30
62105	Covalent_Unit_Count	1
13758360	Defined_Atom_Stereo_Count	0
23891	Hydrogen_Bond_Acceptor_Count	2
18393	Structure_Complexity	51.9
71113	Hydrogen_Bond_Donor_Count	1
68610	Hydrogen_Bond_Donor_Count	2
6324671	Hydrogen_Bond_Acceptor_Count	12
91170688	Total_Formal_Charge	0
57327016	Exact_Mass	784.27781479
10892	Undefined_Atom_Stereo_Count	0
16051942	XLogP3-AA	3.8
6185	Rotatable_Bond_Count	2
12727651	Non-hydrogen_Atom_Count	7
443369	Total_Formal_Charge	0
22753620	Undefined_Bond_Stereo_Count	0
22887897	Exact_Mass	423.23693578
45794	Covalent_Unit_Count	2
66829	Mono_Isotopic_Weight	162.02854067
118459248	Mono_Isotopic_Weight	342.11621151
21157625	Undefined_Bond_Stereo_Count	0
11194317	Defined_Atom_Stereo_Count	0
11513721	Rotatable_Bond_Count	20
52942212	Total_Formal_Charge	0
140473289	Defined_Atom_Stereo_Count	12
14849721	Structure_Complexity	46.5
92110	Rotatable_Bond_Count	4
12358803	Hydrogen_Bond_Acceptor_Count	2
23520950	Total_Formal_Charge	0
23677967	Isotope_Atom_Count	0
25069561	Molecular_Weight	443.4
24808640	Defined_Atom_Stereo_Count	0
71671	Hydrogen_Bond_Acceptor_Count	2
449435	Exact_Mass	591.23157562
265776	Defined_Bond_Stereo_Count	0
523	Hydrogen_Bond_Acceptor_Count	4
2801129	Total_Formal_Charge	0
12386877	Isotope_Atom_Count	0
407	Covalent_Unit_Count	1
299	TPSA	17.1
10369242	TPSA	147
918602	Hydrogen_Bond_Donor_Count	1
245005	Undefined_Atom_Stereo_Count	1
54107	Defined_Bond_Stereo_Count	0
129677105	Covalent_Unit_Count	1
20488107	Exact_Mass	139.04557046
6603759	Undefined_Bond_Stereo_Count	0
26375	Hydrogen_Bond_Donor_Count	0
15608605	XLogP3-AA	3.9
20691	Exact_Mass	284.282763776
23678591	Defined_Atom_Stereo_Count	0
129694674	Undefined_Atom_Stereo_Count	0
96198	Tautomer_Count	1
1712094	Rotatable_Bond_Count	3
9820034	Total_Formal_Charge	0
72016	Exact_Mass	216.126263138
11789141	Total_Formal_Charge	0
7807	Defined_Atom_Stereo_Count	0
2763214	Defined_Atom_Stereo_Count	0
91759534	Rotatable_Bond_Count	2
88494	Non-hydrogen_Atom_Count	5
441073	Exact_Mass	324.183778013
17461	Undefined_Atom_Stereo_Count	0
53243273	Exact_Mass	115.063328530
71683048	Total_Formal_Charge	0
62760	Defined_Atom_Stereo_Count	0
62452	Undefined_Bond_Stereo_Count	0
111206	XLogP3-AA	1.4
11254899	Undefined_Atom_Stereo_Count	0
119095542	Isotope_Atom_Count	0
642	Hydrogen_Bond_Donor_Count	9
57784	Undefined_Bond_Stereo_Count	0
18635	Molecular_Weight	104.17
53404864	Exact_Mass	100.088815002
58357553	Undefined_Bond_Stereo_Count	0
17690	TPSA	0
46783795	Defined_Bond_Stereo_Count	0
14667	Hydrogen_Bond_Donor_Count	1
162918376	Hydrogen_Bond_Donor_Count	5
142657543	XLogP3-AA	0.6
57029485	Covalent_Unit_Count	1
48104	Undefined_Atom_Stereo_Count	4
98040	Structure_Complexity	52
17739	Non-hydrogen_Atom_Count	12
12510929	Non-hydrogen_Atom_Count	8
20648808	Exact_Mass	97.052763847
165600653	Total_Formal_Charge	0
90771502	Undefined_Atom_Stereo_Count	0
91575456	Defined_Atom_Stereo_Count	0
153241	Non-hydrogen_Atom_Count	33
77050446	Defined_Atom_Stereo_Count	0
289149	Undefined_Bond_Stereo_Count	0
6858209	Molecular_Weight	770.5
4162	Defined_Bond_Stereo_Count	0
138440	Molecular_Weight	100.12
3740	Molecular_Weight	1215.8
161930	Undefined_Bond_Stereo_Count	0
151726	Undefined_Bond_Stereo_Count	0
11527635	Rotatable_Bond_Count	12
28346	Total_Formal_Charge	0
20890	Structure_Complexity	153
67482131	XLogP3-AA	1.2
44609731	Non-hydrogen_Atom_Count	30
12529	Structure_Complexity	52.5
146159249	XLogP3-AA	4.1
9216	Hydrogen_Bond_Acceptor_Count	2
7129	Mono_Isotopic_Weight	172.088815002
73082918	Hydrogen_Bond_Donor_Count	3
54328926	Total_Formal_Charge	0
23863720	Isotope_Atom_Count	0
36572	Hydrogen_Bond_Acceptor_Count	4
2735078	Covalent_Unit_Count	1
29701	Covalent_Unit_Count	1
57082	Covalent_Unit_Count	1
94675	Rotatable_Bond_Count	3
446127	Mono_Isotopic_Weight	152.083729621
85867	Molecular_Weight	308.42
8815	Molecular_Weight	148.20
131885396	Defined_Atom_Stereo_Count	0
106429	Defined_Bond_Stereo_Count	0
16667503	Isotope_Atom_Count	0
21879777	Covalent_Unit_Count	1
12431565	Hydrogen_Bond_Donor_Count	1
71810	Total_Formal_Charge	1
12452068	Molecular_Weight	108.14
15891	Tautomer_Count	1
75494	Exact_Mass	294.01643791
2468	Exact_Mass	157.13274550
756	Undefined_Bond_Stereo_Count	0
11386761	Covalent_Unit_Count	1
32343	Defined_Bond_Stereo_Count	0
5459211	Hydrogen_Bond_Acceptor_Count	12
25422	Defined_Atom_Stereo_Count	0
14865900	Non-hydrogen_Atom_Count	8
36084	Hydrogen_Bond_Donor_Count	2
52943923	Covalent_Unit_Count	1
6437842	Covalent_Unit_Count	1
13512560	Isotope_Atom_Count	0
115763542	Mono_Isotopic_Weight	99.032028402
145712321	Hydrogen_Bond_Donor_Count	1
22833307	Rotatable_Bond_Count	6
60150535	Exact_Mass	378.16919058
68030	Undefined_Atom_Stereo_Count	0
13652343	Mono_Isotopic_Weight	899.857932
91649	Undefined_Bond_Stereo_Count	0
97032	XLogP3	5.4
71406	Hydrogen_Bond_Donor_Count	1
1397	Non-hydrogen_Atom_Count	47
51081	Rotatable_Bond_Count	3
55288479	Undefined_Atom_Stereo_Count	0
137699165	TPSA	132
38127	Structure_Complexity	545
945	Defined_Atom_Stereo_Count	0
55293	Undefined_Atom_Stereo_Count	0
14872976	XLogP3-AA	0.9
39860	Structure_Complexity	524
10778228	Total_Formal_Charge	0
3647	Defined_Bond_Stereo_Count	0
3035447	Mono_Isotopic_Weight	384.06360602
18591	Molecular_Weight	128.25
46911956	Total_Formal_Charge	0
1443	Non-hydrogen_Atom_Count	23
6321405	Mono_Isotopic_Weight	154.135765193
107794	Hydrogen_Bond_Donor_Count	5
550525	Undefined_Bond_Stereo_Count	0
44338517	Exact_Mass	462.17419698
93738	Total_Formal_Charge	0
72712745	Undefined_Bond_Stereo_Count	0
41171	Tautomer_Count	1
139637653	Covalent_Unit_Count	1
18952325	Defined_Bond_Stereo_Count	0
154132	Molecular_Weight	355.3
35740	Isotope_Atom_Count	0
6917754	Covalent_Unit_Count	2
6538982	Rotatable_Bond_Count	11
7419	Tautomer_Count	3
24849132	Undefined_Bond_Stereo_Count	0
15942715	Hydrogen_Bond_Donor_Count	1
5288018	Undefined_Bond_Stereo_Count	0
18352756	Covalent_Unit_Count	1
25023854	Hydrogen_Bond_Donor_Count	2
4555	Rotatable_Bond_Count	5
89129308	Molecular_Weight	114.19
5283213	XLogP3	2.8
129694674	Exact_Mass	166.943465
182176	TPSA	72.7
44224066	Molecular_Weight	700.8
5273472	Total_Formal_Charge	0
165295	Rotatable_Bond_Count	3
9926791	Total_Formal_Charge	0
93186	Defined_Bond_Stereo_Count	0
11197252	Defined_Bond_Stereo_Count	0
132035918	Rotatable_Bond_Count	0
517030	Isotope_Atom_Count	0
87089	Exact_Mass	290.153146591
9810771	Exact_Mass	758.2146534
4468	Total_Formal_Charge	0
257950	Defined_Bond_Stereo_Count	0
118972006	Rotatable_Bond_Count	1
205	Defined_Atom_Stereo_Count	0
4842	Hydrogen_Bond_Donor_Count	0
53357478	TPSA	103
11225102	Mono_Isotopic_Weight	466.30562448
5280954	Total_Formal_Charge	0
8340	Hydrogen_Bond_Acceptor_Count	5
1549237	Defined_Bond_Stereo_Count	2
8923	Non-hydrogen_Atom_Count	14
58679341	Mono_Isotopic_Weight	113.084063974
82129	Covalent_Unit_Count	1
45351	Molecular_Weight	277.79
5795731	Rotatable_Bond_Count	2
129853561	Total_Formal_Charge	0
5281522	XLogP3-AA	4.4
7899	Total_Formal_Charge	0
135541258	Tautomer_Count	3
14759390	Isotope_Atom_Count	0
6917984	Undefined_Atom_Stereo_Count	0
91826482	Hydrogen_Bond_Acceptor_Count	9
69787	Non-hydrogen_Atom_Count	12
58028426	Defined_Bond_Stereo_Count	0
349711	Rotatable_Bond_Count	1
154517172	Mono_Isotopic_Weight	97.089149355
170231	Undefined_Atom_Stereo_Count	0
3406	Hydrogen_Bond_Donor_Count	1
54765302	Exact_Mass	375.15513817
13199930	Tautomer_Count	1
6829	Molecular_Weight	199.20
10578	Molecular_Weight	518.5
64965	Rotatable_Bond_Count	3
439378	Undefined_Bond_Stereo_Count	0
237546	Defined_Bond_Stereo_Count	0
192925	Isotope_Atom_Count	0
446758	TPSA	60.7
12699188	Hydrogen_Bond_Donor_Count	2
21903	Defined_Bond_Stereo_Count	0
136219154	Molecular_Weight	380.9
23381756	XLogP3-AA	0.7
87279996	Hydrogen_Bond_Donor_Count	1
11262	Exact_Mass	100.088815002
3414	Mono_Isotopic_Weight	122.94833509
142566105	Covalent_Unit_Count	1
19350299	Exact_Mass	152.99182081
118513932	Covalent_Unit_Count	1
7103	Non-hydrogen_Atom_Count	13
24180717	Mono_Isotopic_Weight	412.17869263
676166	Defined_Bond_Stereo_Count	0
5744	Molecular_Weight	404.5
402827	TPSA	98.8
53477580	Total_Formal_Charge	0
307	Structure_Complexity	121
22208	Total_Formal_Charge	0
143440	Hydrogen_Bond_Acceptor_Count	2
10945	Defined_Atom_Stereo_Count	0
17995361	Hydrogen_Bond_Donor_Count	0
11661757	Covalent_Unit_Count	2
62865	Molecular_Weight	323.5
53424410	Total_Formal_Charge	0
73648	Molecular_Weight	388.4
10715582	Isotope_Atom_Count	0
6999987	Undefined_Bond_Stereo_Count	0
15271	Tautomer_Count	1
91827561	Non-hydrogen_Atom_Count	65
299	Structure_Complexity	631
60196410	Non-hydrogen_Atom_Count	41
232326	Defined_Bond_Stereo_Count	0
13129	Tautomer_Count	1
67356	Total_Formal_Charge	0
6398969	TPSA	49.7
3032279	Hydrogen_Bond_Acceptor_Count	7
153772784	Non-hydrogen_Atom_Count	8
62774675	Molecular_Weight	116.16
9908927	XLogP3-AA	5
3400822	Structure_Complexity	148
70099	Exact_Mass	106.078250319
12343986	Isotope_Atom_Count	0
44284481	Hydrogen_Bond_Donor_Count	32
6950273	Rotatable_Bond_Count	2
90451	Molecular_Weight	115.13
2443	Exact_Mass	653.22128
4044	TPSA	49.3
566455	Mono_Isotopic_Weight	189.078978594
135509116	Isotope_Atom_Count	0
71675	Mono_Isotopic_Weight	259.1127773
17019	Molecular_Weight	271.15
13315542	Structure_Complexity	78
16719897	Undefined_Atom_Stereo_Count	0
297691	Rotatable_Bond_Count	3
146199	Undefined_Atom_Stereo_Count	0
165360129	Mono_Isotopic_Weight	1248.62378324
9897412	Rotatable_Bond_Count	11
67241466	Non-hydrogen_Atom_Count	26
196639	Covalent_Unit_Count	1
12774540	Molecular_Weight	98.14
86656004	Undefined_Bond_Stereo_Count	0
1068	XLogP3-AA	0.9
13694815	Isotope_Atom_Count	0
54688683	Molecular_Weight	626.7
42839	Total_Formal_Charge	0
22731481	Molecular_Weight	118.10
11379626	Mono_Isotopic_Weight	247.099714038
535197	Exact_Mass	98.073164938
66646	Rotatable_Bond_Count	1
59350891	XLogP3-AA	1.9
67431	Undefined_Bond_Stereo_Count	0
198382	Undefined_Bond_Stereo_Count	0
10220851	Non-hydrogen_Atom_Count	18
5460326	XLogP3-AA	2.3
58079819	Rotatable_Bond_Count	1
2016	Non-hydrogen_Atom_Count	17
4796	Covalent_Unit_Count	1
8738	Mono_Isotopic_Weight	146.094294304
9934678	Hydrogen_Bond_Acceptor_Count	6
23667546	Covalent_Unit_Count	2
165363475	Defined_Atom_Stereo_Count	8
22181493	Molecular_Weight	96.13
7629	Covalent_Unit_Count	1
234237	Molecular_Weight	202.29
5318	Non-hydrogen_Atom_Count	24
122672156	TPSA	52.1
7567598	Mono_Isotopic_Weight	100.088815002
4068	Rotatable_Bond_Count	2
108059	Hydrogen_Bond_Acceptor_Count	4
70692444	Isotope_Atom_Count	0
60196364	Molecular_Weight	538.5
1240	Rotatable_Bond_Count	6
190714	XLogP3-AA	1.3
108037	Undefined_Bond_Stereo_Count	0
23674215	Defined_Atom_Stereo_Count	0
62299	Defined_Atom_Stereo_Count	0
115011049	Defined_Bond_Stereo_Count	0
15201044	Rotatable_Bond_Count	0
85794	Total_Formal_Charge	0
50376	XLogP3-AA	4
11182588	Hydrogen_Bond_Donor_Count	1
60753	Structure_Complexity	443
60196365	Undefined_Atom_Stereo_Count	1
7774	Molecular_Weight	228.28
52920469	Mono_Isotopic_Weight	441.1138572
1385	Undefined_Atom_Stereo_Count	0
18599	Isotope_Atom_Count	0
122415	Defined_Bond_Stereo_Count	0
9466	Rotatable_Bond_Count	7
102198498	Defined_Atom_Stereo_Count	0
2719	Total_Formal_Charge	0
134460917	TPSA	107
87079617	Rotatable_Bond_Count	3
221523	Hydrogen_Bond_Acceptor_Count	1
10042942	Exact_Mass	341.16270821
9831417	Defined_Atom_Stereo_Count	2
80428	Hydrogen_Bond_Acceptor_Count	0
49621	Defined_Atom_Stereo_Count	0
14830385	Defined_Atom_Stereo_Count	0
7422	Total_Formal_Charge	0
587348	Hydrogen_Bond_Donor_Count	1
5282494	Exact_Mass	446.26683893
446873	Rotatable_Bond_Count	3
51347395	Molecular_Weight	415.33
60877	Defined_Atom_Stereo_Count	2
600269	Exact_Mass	175.04557046
73881	Undefined_Bond_Stereo_Count	0
21872023	Molecular_Weight	443.0
594832	Defined_Bond_Stereo_Count	0
21786	Undefined_Bond_Stereo_Count	0
146027509	Hydrogen_Bond_Donor_Count	11
24901351	Total_Formal_Charge	0
10299410	TPSA	70.2
57286269	Defined_Atom_Stereo_Count	0
35489	Hydrogen_Bond_Donor_Count	2
46205408	Molecular_Weight	599.7
969488	Undefined_Bond_Stereo_Count	0
135409452	Hydrogen_Bond_Acceptor_Count	3
136261376	TPSA	42.7
15684	TPSA	20.2
13945	Total_Formal_Charge	0
8644	Tautomer_Count	1
193090	Mono_Isotopic_Weight	102.031694049
115236	Covalent_Unit_Count	1
44229138	Hydrogen_Bond_Acceptor_Count	3
26030	Isotope_Atom_Count	0
5351154	Mono_Isotopic_Weight	184.11849242
6454823	Isotope_Atom_Count	0
51047	Mono_Isotopic_Weight	292.0978555
21962683	TPSA	0
73333	Non-hydrogen_Atom_Count	29
52942704	Rotatable_Bond_Count	5
66586067	Structure_Complexity	316
24401	Covalent_Unit_Count	1
13757192	Rotatable_Bond_Count	2
8167	Total_Formal_Charge	0
9895194	Isotope_Atom_Count	0
19920	Mono_Isotopic_Weight	116.083729621
3254	Total_Formal_Charge	0
98650	Structure_Complexity	146
11159486	Total_Formal_Charge	0
73303	Tautomer_Count	2
154689	XLogP3-AA	2.9
557737	Undefined_Atom_Stereo_Count	1
6537201	Isotope_Atom_Count	0
60196419	Structure_Complexity	567
23567201	Undefined_Atom_Stereo_Count	0
449069	Molecular_Weight	242.32
542317	Total_Formal_Charge	0
2455	Defined_Atom_Stereo_Count	0
736858	Covalent_Unit_Count	1
14066	Hydrogen_Bond_Acceptor_Count	2
24465	Mono_Isotopic_Weight	247.930592
9958278	Exact_Mass	519.13517331
91365800	Structure_Complexity	96.3
13820629	Non-hydrogen_Atom_Count	8
129446563	TPSA	60.7
61186	Undefined_Atom_Stereo_Count	0
90953484	Mono_Isotopic_Weight	110.109550447
551	Rotatable_Bond_Count	4
123776311	Structure_Complexity	150
124220089	Exact_Mass	416.32904526
253193	Covalent_Unit_Count	1
69388	Rotatable_Bond_Count	2
1032	Undefined_Bond_Stereo_Count	0
98266	Exact_Mass	130.135765193
15301053	Total_Formal_Charge	0
16186010	Defined_Bond_Stereo_Count	0
12206947	Exact_Mass	111.068413911
444683	Total_Formal_Charge	0
9905438	Structure_Complexity	393
751496	Isotope_Atom_Count	0
95162411	Isotope_Atom_Count	0
71893	TPSA	37.4
103564347	XLogP3-AA	1.6
60910	Covalent_Unit_Count	1
80710	Mono_Isotopic_Weight	585.02524542
6918289	Defined_Atom_Stereo_Count	15
8406	Hydrogen_Bond_Donor_Count	1
55290327	Mono_Isotopic_Weight	87.068413911
222549	Non-hydrogen_Atom_Count	18
62705690	Undefined_Atom_Stereo_Count	0
439168	Tautomer_Count	4
155353470	Structure_Complexity	32.9
12040	Covalent_Unit_Count	1
23238195	Defined_Bond_Stereo_Count	0
2399	Exact_Mass	327.100776666
12262506	Exact_Mass	195.125928785
3766	Defined_Bond_Stereo_Count	0
11274968	TPSA	17.1
45857	Exact_Mass	289.1000197
535111	Molecular_Weight	112.17
12651819	Non-hydrogen_Atom_Count	7
11182587	Isotope_Atom_Count	0
8134	Non-hydrogen_Atom_Count	8
60196320	Exact_Mass	259.1339066
36858	Tautomer_Count	1
6940	Defined_Atom_Stereo_Count	0
160801313	Exact_Mass	112.052429494
6266	Non-hydrogen_Atom_Count	23
230826	Undefined_Atom_Stereo_Count	0
89392	Exact_Mass	186.161979940
7673	Mono_Isotopic_Weight	135.01427034
5282215	Total_Formal_Charge	0
20231751	Covalent_Unit_Count	1
54283855	Defined_Bond_Stereo_Count	0
70884982	Mono_Isotopic_Weight	342.11621151
15744	Tautomer_Count	1
533473	Hydrogen_Bond_Acceptor_Count	2
6440180	Tautomer_Count	1
129628370	Exact_Mass	143.00409958
994360	TPSA	84.1
153929434	Mono_Isotopic_Weight	98.036779430
6973640	XLogP3	2.7
41733	Covalent_Unit_Count	2
57391320	Exact_Mass	422.17427596
9912743	Total_Formal_Charge	0
60966	Hydrogen_Bond_Acceptor_Count	1
96421	Total_Formal_Charge	0
13374861	Undefined_Bond_Stereo_Count	0
141678430	Mono_Isotopic_Weight	342.11621151
18369938	Total_Formal_Charge	0
16773	Molecular_Weight	377.3
5462814	Non-hydrogen_Atom_Count	8
3424	Molecular_Weight	303.4
16698	Structure_Complexity	305
4436	Hydrogen_Bond_Donor_Count	1
87457638	TPSA	86
16659838	Undefined_Bond_Stereo_Count	0
57752105	Rotatable_Bond_Count	7
62810	Covalent_Unit_Count	1
52942212	Exact_Mass	443.12683226
64689	Tautomer_Count	16
67258704	Defined_Atom_Stereo_Count	0
123404946	Mono_Isotopic_Weight	107.073499291
4591	Mono_Isotopic_Weight	790.52311317
181511	TPSA	40.5
10472	Rotatable_Bond_Count	22
71225	Defined_Bond_Stereo_Count	0
107243	Non-hydrogen_Atom_Count	8
72765870	Exact_Mass	251.094628657
23365036	Covalent_Unit_Count	1
102171995	Structure_Complexity	385
21625926	Undefined_Atom_Stereo_Count	0
3058751	TPSA	35.2
22715990	Defined_Bond_Stereo_Count	0
11643846	Structure_Complexity	2330
53304446	Undefined_Bond_Stereo_Count	0
16058317	Hydrogen_Bond_Acceptor_Count	19
6436449	Isotope_Atom_Count	0
528407	TPSA	26
61048	Isotope_Atom_Count	0
118910268	Covalent_Unit_Count	1
126968495	Undefined_Atom_Stereo_Count	0
300765	Non-hydrogen_Atom_Count	18
10351660	Exact_Mass	104.047344113
825229	TPSA	116
175948	Rotatable_Bond_Count	3
146682056	Undefined_Bond_Stereo_Count	0
135873450	Molecular_Weight	520.16
647120	Defined_Atom_Stereo_Count	0
44126034	Total_Formal_Charge	0
62930	Covalent_Unit_Count	1
10909482	Defined_Atom_Stereo_Count	0
5280637	Total_Formal_Charge	0
216295	Exact_Mass	484.31216641
20323899	Total_Formal_Charge	0
6435335	Hydrogen_Bond_Donor_Count	5
14027329	Undefined_Bond_Stereo_Count	0
139078863	Hydrogen_Bond_Donor_Count	1
107715	Covalent_Unit_Count	1
11710986	XLogP3-AA	3.8
131751505	Hydrogen_Bond_Acceptor_Count	8
7025	Hydrogen_Bond_Donor_Count	1
25612	Structure_Complexity	78.9
107905	Total_Formal_Charge	0
9486	Undefined_Atom_Stereo_Count	0
89767	TPSA	129
2471	Hydrogen_Bond_Acceptor_Count	7
165367979	Rotatable_Bond_Count	12
11241863	Total_Formal_Charge	0
9547215	Defined_Atom_Stereo_Count	8
13568501	Non-hydrogen_Atom_Count	8
16219371	Rotatable_Bond_Count	4
11550004	Hydrogen_Bond_Donor_Count	1
38764	Structure_Complexity	297
70692775	Total_Formal_Charge	0
91166722	Hydrogen_Bond_Donor_Count	1
22563	Structure_Complexity	142
6957672	Isotope_Atom_Count	0
5376733	Rotatable_Bond_Count	4
7499	Exact_Mass	108.093900383
61341	Total_Formal_Charge	0
17103	Undefined_Bond_Stereo_Count	0
24900874	Hydrogen_Bond_Acceptor_Count	7
444030	Undefined_Atom_Stereo_Count	0
9898279	Defined_Bond_Stereo_Count	0
696858	Exact_Mass	334.14297583
6335499	Molecular_Weight	85.911167
138611145	Defined_Bond_Stereo_Count	0
80778	Isotope_Atom_Count	0
59059061	XLogP3-AA	0
9803788	Exact_Mass	448.03017
34769	XLogP3-AA	0.5
443408	Covalent_Unit_Count	1
54677971	TPSA	136
8141	Hydrogen_Bond_Donor_Count	0
6999987	Exact_Mass	102.104465066
91976487	Molecular_Weight	1917.0
18934227	Exact_Mass	99.032028402
74278	Defined_Atom_Stereo_Count	0
11957491	Mono_Isotopic_Weight	598.00994696
91971361	Hydrogen_Bond_Donor_Count	1
69862751	Exact_Mass	128.0545783
23366185	Total_Formal_Charge	0
44246724	Rotatable_Bond_Count	4
12041	Tautomer_Count	2
82145	Defined_Atom_Stereo_Count	0
82982	Hydrogen_Bond_Acceptor_Count	7
398116	Isotope_Atom_Count	0
19906389	Molecular_Weight	115.17
54175107	Exact_Mass	99.104799419
11769	XLogP3	3.9
5281416	Isotope_Atom_Count	0
5359624	Hydrogen_Bond_Donor_Count	0
96344	Hydrogen_Bond_Acceptor_Count	3
13765439	Undefined_Bond_Stereo_Count	0
64463	Undefined_Bond_Stereo_Count	0
30905	Isotope_Atom_Count	0
10938769	Molecular_Weight	422.9
24825261	Mono_Isotopic_Weight	545.12659777
3356885	Covalent_Unit_Count	3
78012803	Non-hydrogen_Atom_Count	24
10090192	Molecular_Weight	364.5
87438806	Exact_Mass	104.094963011
15995	Total_Formal_Charge	0
6604498	Undefined_Bond_Stereo_Count	0
77441779	Rotatable_Bond_Count	2
56436	TPSA	45.2
136892	Tautomer_Count	2
47024	Exact_Mass	378.08043
72200721	Undefined_Atom_Stereo_Count	0
16224456	Mono_Isotopic_Weight	609.26612791
19838	Hydrogen_Bond_Donor_Count	0
49862460	Mono_Isotopic_Weight	372.18714931
10486	Defined_Bond_Stereo_Count	0
5312108	Isotope_Atom_Count	0
135437	Hydrogen_Bond_Acceptor_Count	4
11582982	TPSA	125
154237264	Undefined_Bond_Stereo_Count	0
97065	Hydrogen_Bond_Donor_Count	0
119171	Mono_Isotopic_Weight	631.24473756
10240766	Hydrogen_Bond_Donor_Count	0
34800	Defined_Bond_Stereo_Count	0
135402010	Molecular_Weight	459.5
8188	Defined_Atom_Stereo_Count	0
5288564	Defined_Bond_Stereo_Count	0
80871	Covalent_Unit_Count	1
54037464	TPSA	72.3
22395644	Covalent_Unit_Count	1
4183	Covalent_Unit_Count	1
692587	XLogP3-AA	4.7
123224323	Non-hydrogen_Atom_Count	7
72685	Rotatable_Bond_Count	3
53807546	TPSA	26
2097895	Hydrogen_Bond_Donor_Count	1
440623	Molecular_Weight	286.4
817383	Covalent_Unit_Count	1
398652	Hydrogen_Bond_Acceptor_Count	5
441335	Mono_Isotopic_Weight	426.1364648
6338	Tautomer_Count	1
16775060	TPSA	12
5288615	Non-hydrogen_Atom_Count	26
15595455	Undefined_Bond_Stereo_Count	0
133090	Covalent_Unit_Count	1
11955	Non-hydrogen_Atom_Count	10
3870203	Covalent_Unit_Count	1
53694406	Undefined_Bond_Stereo_Count	0
57751145	Hydrogen_Bond_Donor_Count	1
254656	Covalent_Unit_Count	1
85069	Structure_Complexity	439
31842	Rotatable_Bond_Count	5
611887	Molecular_Weight	229.27
12306686	TPSA	77.8
119098289	Defined_Bond_Stereo_Count	0
71254	XLogP3-AA	1.7
23552425	TPSA	41.1
6099917	Covalent_Unit_Count	4
2734920	Total_Formal_Charge	0
51017507	TPSA	279
140052548	Non-hydrogen_Atom_Count	8
102242609	Non-hydrogen_Atom_Count	24
54475716	Undefined_Atom_Stereo_Count	3
91248258	TPSA	47.3
10975431	Structure_Complexity	166
12278364	Covalent_Unit_Count	1
71887	Molecular_Weight	248.28
444346	XLogP3-AA	0.6
40973	Total_Formal_Charge	0
141672	Structure_Complexity	55.2
7140	Rotatable_Bond_Count	3
34367	Hydrogen_Bond_Acceptor_Count	2
7987	Covalent_Unit_Count	1
9961	Exact_Mass	124.03358575
427842	XLogP3-AA	1.5
116161184	Isotope_Atom_Count	0
22420	Mono_Isotopic_Weight	278.0353848
49862574	Rotatable_Bond_Count	7
2829715	Total_Formal_Charge	0
7020657	Undefined_Bond_Stereo_Count	0
92187	Hydrogen_Bond_Acceptor_Count	3
91590871	Rotatable_Bond_Count	2
54608508	Non-hydrogen_Atom_Count	73
25244582	Hydrogen_Bond_Donor_Count	5
25142700	Covalent_Unit_Count	1
60196333	TPSA	24.9
135846942	Molecular_Weight	327.5
25164000	Defined_Bond_Stereo_Count	0
10285	Rotatable_Bond_Count	0
185698	Hydrogen_Bond_Donor_Count	5
413539	Isotope_Atom_Count	0
9949648	TPSA	41.6
13884	Molecular_Weight	162.18
20782671	Undefined_Atom_Stereo_Count	0
5362051	Mono_Isotopic_Weight	636.15196282
6328144	Undefined_Atom_Stereo_Count	0
86784	Defined_Atom_Stereo_Count	0
83797	Tautomer_Count	5
5391	Defined_Atom_Stereo_Count	0
155354	Defined_Bond_Stereo_Count	0
20798667	Total_Formal_Charge	0
10176670	Rotatable_Bond_Count	1
9458	Total_Formal_Charge	0
56977978	Defined_Atom_Stereo_Count	0
92855	Covalent_Unit_Count	1
140334	Non-hydrogen_Atom_Count	14
5497195	Defined_Atom_Stereo_Count	2
257950	Undefined_Atom_Stereo_Count	0
8989	Undefined_Bond_Stereo_Count	0
15983287	Undefined_Bond_Stereo_Count	0
4932	TPSA	58.6
21426352	Total_Formal_Charge	0
5281793	Isotope_Atom_Count	0
10061651	Hydrogen_Bond_Acceptor_Count	2
11700696	Molecular_Weight	851.4
329	Hydrogen_Bond_Donor_Count	4
5280346	Undefined_Atom_Stereo_Count	0
10938769	Undefined_Atom_Stereo_Count	0
16738693	Molecular_Weight	430.4
22947120	Structure_Complexity	126
111318	Hydrogen_Bond_Donor_Count	0
86101	Structure_Complexity	369
101271814	Isotope_Atom_Count	0
15532	Defined_Atom_Stereo_Count	0
4136521	Structure_Complexity	986
67240072	Undefined_Atom_Stereo_Count	0
158150	Undefined_Bond_Stereo_Count	0
21482444	Non-hydrogen_Atom_Count	8
17981364	TPSA	66.7
439498	Mono_Isotopic_Weight	178.04121336
132201306	Exact_Mass	1201.84136802
54175	Covalent_Unit_Count	2
144546	Hydrogen_Bond_Acceptor_Count	0
34457	Hydrogen_Bond_Donor_Count	2
5364711	TPSA	26.3
23354	Hydrogen_Bond_Donor_Count	0
61032	TPSA	33
11451	TPSA	83
21331354	Non-hydrogen_Atom_Count	8
62865	Hydrogen_Bond_Donor_Count	0
158782	Hydrogen_Bond_Donor_Count	17
2529	Total_Formal_Charge	0
16211283	Defined_Bond_Stereo_Count	0
167724	Hydrogen_Bond_Donor_Count	1
21927749	Structure_Complexity	98.6
91618345	Undefined_Bond_Stereo_Count	0
18597	Defined_Atom_Stereo_Count	0
11386	Structure_Complexity	132
1621	Structure_Complexity	230
18757800	Molecular_Weight	147.17
2329	XLogP3-AA	3.3
12591596	Undefined_Atom_Stereo_Count	0
71777706	Structure_Complexity	620
6321	TPSA	64.8
546	Exact_Mass	139.98746025
123661139	Isotope_Atom_Count	0
8805	Structure_Complexity	222
138914	Non-hydrogen_Atom_Count	8
6740	Mono_Isotopic_Weight	171.0087061
105130	Tautomer_Count	1
65108	Defined_Atom_Stereo_Count	0
20441	Undefined_Atom_Stereo_Count	0
86222	Mono_Isotopic_Weight	411.0364312
11556910	Hydrogen_Bond_Acceptor_Count	11
70687331	Isotope_Atom_Count	0
42602351	Undefined_Bond_Stereo_Count	0
14964043	Mono_Isotopic_Weight	97.052763847
446167	Defined_Atom_Stereo_Count	0
301567	Covalent_Unit_Count	1
17458	Mono_Isotopic_Weight	386.08175801
135589116	Hydrogen_Bond_Donor_Count	3
16669	Molecular_Weight	204.31
129913833	Rotatable_Bond_Count	1
54585738	Hydrogen_Bond_Acceptor_Count	4
58806257	Mono_Isotopic_Weight	114.104465066
484990	Structure_Complexity	377
82343	Defined_Atom_Stereo_Count	0
12319	Isotope_Atom_Count	0
12257	Defined_Atom_Stereo_Count	0
61631	Non-hydrogen_Atom_Count	12
67938294	Hydrogen_Bond_Acceptor_Count	2
97886	Molecular_Weight	242.31
5362115	Structure_Complexity	649
54840	Structure_Complexity	237
15673	Hydrogen_Bond_Donor_Count	0
5899068	Non-hydrogen_Atom_Count	20
137658	Undefined_Bond_Stereo_Count	0
25094630	Structure_Complexity	522
38235	Defined_Atom_Stereo_Count	0
18952320	Structure_Complexity	74.1
16723	Molecular_Weight	160.09
98719	Molecular_Weight	255.40
6266	Defined_Atom_Stereo_Count	0
98633	Hydrogen_Bond_Acceptor_Count	2
429571	Hydrogen_Bond_Acceptor_Count	4
11398	Exact_Mass	135.104799419
51380890	Defined_Bond_Stereo_Count	0
17788563	Covalent_Unit_Count	1
6506803	Structure_Complexity	771
2640	Hydrogen_Bond_Donor_Count	3
193965	Non-hydrogen_Atom_Count	9
72149	Defined_Atom_Stereo_Count	0
37933	Non-hydrogen_Atom_Count	28
53850432	Mono_Isotopic_Weight	114.031694049
80092	Isotope_Atom_Count	0
7216	Hydrogen_Bond_Donor_Count	0
17676	Structure_Complexity	540
13927605	Non-hydrogen_Atom_Count	6
1240	Tautomer_Count	9
29801	Covalent_Unit_Count	2
151170	Rotatable_Bond_Count	5
89187208	Mono_Isotopic_Weight	416.32904526
16217806	Defined_Atom_Stereo_Count	1
110373	Mono_Isotopic_Weight	114.068079557
24961094	TPSA	103
9934032	Defined_Bond_Stereo_Count	0
93050	Molecular_Weight	112.17
42768	Mono_Isotopic_Weight	520.22725974
177120	Covalent_Unit_Count	1
71478	Molecular_Weight	313.9
123609380	Defined_Atom_Stereo_Count	0
3819932	Undefined_Atom_Stereo_Count	1
344888	Hydrogen_Bond_Acceptor_Count	2
12155512	Rotatable_Bond_Count	2
2723601	Rotatable_Bond_Count	0
39985	Structure_Complexity	358
7093102	TPSA	9.2
14225651	TPSA	17.1
834	Hydrogen_Bond_Acceptor_Count	7
109198	Total_Formal_Charge	0
87402170	Rotatable_Bond_Count	2
124635203	Hydrogen_Bond_Donor_Count	8
10366136	Undefined_Atom_Stereo_Count	0
6450551	Undefined_Atom_Stereo_Count	0
11219835	Undefined_Atom_Stereo_Count	0
136305444	Total_Formal_Charge	0
78006	TPSA	0
11488729	XLogP3-AA	7.1
123626	Defined_Atom_Stereo_Count	0
29858	Isotope_Atom_Count	0
14040	Molecular_Weight	128.25
16154396	Hydrogen_Bond_Acceptor_Count	22
123159	Exact_Mass	77.0391251595
136266076	Covalent_Unit_Count	1
19077498	XLogP3-AA	4.5
24901347	Rotatable_Bond_Count	11
5360134	TPSA	31.2
40463608	Rotatable_Bond_Count	0
97816	Undefined_Bond_Stereo_Count	0
44562468	Isotope_Atom_Count	0
20056440	Structure_Complexity	702
65388	Hydrogen_Bond_Acceptor_Count	5
138114158	Rotatable_Bond_Count	6
22036716	Covalent_Unit_Count	1
123673485	Molecular_Weight	109.17
6477182	Structure_Complexity	596
9903291	Total_Formal_Charge	0
78960	Total_Formal_Charge	0
11644097	Defined_Bond_Stereo_Count	0
400	Hydrogen_Bond_Acceptor_Count	2
19063438	Total_Formal_Charge	0
123659755	Structure_Complexity	72.5
19547	Undefined_Bond_Stereo_Count	0
10931378	Hydrogen_Bond_Donor_Count	2
53315588	Covalent_Unit_Count	1
14892	Defined_Atom_Stereo_Count	2
35876	Undefined_Atom_Stereo_Count	0
78638	Hydrogen_Bond_Acceptor_Count	3
60992	Hydrogen_Bond_Acceptor_Count	2
3849	Isotope_Atom_Count	0
9000	Defined_Atom_Stereo_Count	0
8310	Hydrogen_Bond_Acceptor_Count	6
22227703	Tautomer_Count	3
162652	Molecular_Weight	173.13
498650	TPSA	32.6
6948	Isotope_Atom_Count	0
8906	Structure_Complexity	221
10400	Undefined_Bond_Stereo_Count	0
4339838	Exact_Mass	633.42798706
3283	Hydrogen_Bond_Donor_Count	0
4611060	TPSA	69.2
1238	Mono_Isotopic_Weight	344.1113975
23187765	Covalent_Unit_Count	1
62820	Rotatable_Bond_Count	3
67030919	Undefined_Atom_Stereo_Count	0
138304	Hydrogen_Bond_Acceptor_Count	0
21497	Undefined_Atom_Stereo_Count	0
22281319	Mono_Isotopic_Weight	97.052763847
56842208	Hydrogen_Bond_Acceptor_Count	4
54693468	Rotatable_Bond_Count	2
3031	Undefined_Atom_Stereo_Count	0
23634441	Hydrogen_Bond_Donor_Count	3
398637	Covalent_Unit_Count	1
90470	Exact_Mass	112.052429494
129865974	Molecular_Weight	496.8
130349042	Undefined_Atom_Stereo_Count	0
6669	Rotatable_Bond_Count	2
27145	Hydrogen_Bond_Donor_Count	1
156963389	Hydrogen_Bond_Donor_Count	25
228490	TPSA	58.9
640091	Rotatable_Bond_Count	1
4054588	Undefined_Bond_Stereo_Count	1
163775008	Defined_Bond_Stereo_Count	5
9869929	Defined_Atom_Stereo_Count	1
2737136	Hydrogen_Bond_Acceptor_Count	7
163962080	Rotatable_Bond_Count	1
15774	Mono_Isotopic_Weight	481.20108287
129533	Exact_Mass	254.09027155
26428	Isotope_Atom_Count	0
10287037	Total_Formal_Charge	0
1382059	Hydrogen_Bond_Donor_Count	1
5375	TPSA	171
90757303	Hydrogen_Bond_Donor_Count	1
1714204	Total_Formal_Charge	0
5505	Covalent_Unit_Count	1
9805635	Covalent_Unit_Count	1
1629	Undefined_Bond_Stereo_Count	0
267769	Tautomer_Count	1
4414	Non-hydrogen_Atom_Count	29
71411033	Exact_Mass	97.052763847
141691	Isotope_Atom_Count	0
149437349	Undefined_Bond_Stereo_Count	0
446355	Mono_Isotopic_Weight	209.06880783
547064	Defined_Bond_Stereo_Count	0
1096	Covalent_Unit_Count	2
102592515	Rotatable_Bond_Count	0
55286155	Structure_Complexity	93.7
1261	Molecular_Weight	327.1
3061720	Molecular_Weight	276.76
10237241	Undefined_Atom_Stereo_Count	0
154354742	Rotatable_Bond_Count	3
21563	Molecular_Weight	245.32
91580832	TPSA	58.6
4624	Molecular_Weight	169.18
21947198	Molecular_Weight	195.15
9861147	Covalent_Unit_Count	1
10931374	Defined_Bond_Stereo_Count	0
11562233	Total_Formal_Charge	0
15073	Isotope_Atom_Count	0
36688115	Isotope_Atom_Count	0
23666112	TPSA	95.6
124009720	XLogP3-AA	0.2
71145	Undefined_Bond_Stereo_Count	0
446576	Covalent_Unit_Count	1
147594753	Defined_Bond_Stereo_Count	0
94932	Structure_Complexity	209
11338749	Isotope_Atom_Count	0
21914506	Undefined_Atom_Stereo_Count	2
57393918	Rotatable_Bond_Count	4
10997046	Tautomer_Count	1
23418	TPSA	96.3
66503	Mono_Isotopic_Weight	418.168127949
910	Rotatable_Bond_Count	5
524409	Covalent_Unit_Count	1
6580	Covalent_Unit_Count	1
5352135	Mono_Isotopic_Weight	387.219829168
63179	TPSA	63
22147963	Structure_Complexity	133
119716	XLogP3	3.4
30295	Mono_Isotopic_Weight	265.204179104
15073	XLogP3-AA	0.6
6770	Exact_Mass	323.11575802
483998	Covalent_Unit_Count	1
630689	Mono_Isotopic_Weight	336.183778013
10241	Structure_Complexity	222
14012	Covalent_Unit_Count	4
956	Rotatable_Bond_Count	25
6552009	Defined_Bond_Stereo_Count	0
4284720	Undefined_Atom_Stereo_Count	1
52893	Undefined_Bond_Stereo_Count	0
31398	Non-hydrogen_Atom_Count	8
5388880	Non-hydrogen_Atom_Count	1
156156900	Defined_Bond_Stereo_Count	0
2724951	TPSA	58.2
7190	Defined_Atom_Stereo_Count	0
448222	Undefined_Bond_Stereo_Count	0
79693	Non-hydrogen_Atom_Count	14
677	Structure_Complexity	118
132472265	Total_Formal_Charge	0
43116	Exact_Mass	851.37752882
17963315	XLogP3-AA	4.7
64772	Structure_Complexity	694
8142	Hydrogen_Bond_Acceptor_Count	0
5311341	Structure_Complexity	788
9870	TPSA	51.8
80690	TPSA	64.9
54054905	Total_Formal_Charge	0
9899007	Undefined_Atom_Stereo_Count	0
52919826	Hydrogen_Bond_Acceptor_Count	5
12123876	TPSA	0
9918460	Hydrogen_Bond_Donor_Count	2
66435	Non-hydrogen_Atom_Count	24
69321	TPSA	45.8
49853507	Hydrogen_Bond_Acceptor_Count	8
85668777	Total_Formal_Charge	0
1967	Rotatable_Bond_Count	6
9548661	TPSA	80.6
26560	Hydrogen_Bond_Donor_Count	0
5287703	Covalent_Unit_Count	1
7172302	Structure_Complexity	99.3
12395	Total_Formal_Charge	0
21411162	Total_Formal_Charge	0
41541	Total_Formal_Charge	0
572065	Isotope_Atom_Count	0
25982	Undefined_Atom_Stereo_Count	2
5362125	Mono_Isotopic_Weight	509.98517151
12842107	Defined_Atom_Stereo_Count	0
558341	XLogP3-AA	0.2
134828	Mono_Isotopic_Weight	298.09535693
62859	Covalent_Unit_Count	3
69833	TPSA	20.2
281660	Isotope_Atom_Count	0
147895	Defined_Bond_Stereo_Count	0
3571582	Exact_Mass	206.00135954
5564	Rotatable_Bond_Count	2
16329	Tautomer_Count	1
13224	Undefined_Bond_Stereo_Count	0
125889	Undefined_Atom_Stereo_Count	0
9865375	Exact_Mass	393.23039385
345901	Undefined_Bond_Stereo_Count	0
60196367	Non-hydrogen_Atom_Count	31
165365661	Defined_Atom_Stereo_Count	0
25102936	Exact_Mass	426.13865659
59473233	Structure_Complexity	595
12194	Molecular_Weight	116.16
68942	Mono_Isotopic_Weight	240.05865769
2376	Undefined_Bond_Stereo_Count	0
3463	Defined_Bond_Stereo_Count	0
11065	Non-hydrogen_Atom_Count	22
73415790	Exact_Mass	663.10912256
21954272	Structure_Complexity	30.9
27553	Covalent_Unit_Count	1
10180182	Hydrogen_Bond_Acceptor_Count	3
85695	Undefined_Bond_Stereo_Count	0
19754954	Mono_Isotopic_Weight	100.100048391
85904461	Undefined_Atom_Stereo_Count	4
64685	Non-hydrogen_Atom_Count	11
23058060	XLogP3-AA	1.7
5146	Exact_Mass	124.052429494
315	Isotope_Atom_Count	0
14079045	Rotatable_Bond_Count	7
74370	Isotope_Atom_Count	0
42163	Non-hydrogen_Atom_Count	21
51029782	Hydrogen_Bond_Donor_Count	0
11007917	Exact_Mass	128.083729621
400182	Defined_Atom_Stereo_Count	0
33263	Rotatable_Bond_Count	5
57400481	Structure_Complexity	824
9908306	Rotatable_Bond_Count	4
13635	Covalent_Unit_Count	1
139075879	Undefined_Bond_Stereo_Count	0
23647685	Defined_Bond_Stereo_Count	0
9171	Mono_Isotopic_Weight	228.093900383
99453	Tautomer_Count	1
517106	Defined_Bond_Stereo_Count	0
12418	Undefined_Atom_Stereo_Count	0
13333	TPSA	35.9
9942132	Undefined_Atom_Stereo_Count	1
13598032	Hydrogen_Bond_Donor_Count	0
56160	Exact_Mass	414.0400831
139142290	Molecular_Weight	925.2
4093	Molecular_Weight	86.09
66282	Total_Formal_Charge	0
51029965	Rotatable_Bond_Count	7
50989726	Rotatable_Bond_Count	0
132677	Covalent_Unit_Count	1
693165	Rotatable_Bond_Count	4
14133354	Mono_Isotopic_Weight	98.036779430
75227	Rotatable_Bond_Count	1
20494989	Defined_Atom_Stereo_Count	0
9549326	Hydrogen_Bond_Acceptor_Count	22
274234	Isotope_Atom_Count	0
14365987	Mono_Isotopic_Weight	112.016043985
79418	Isotope_Atom_Count	0
25512	Exact_Mass	80.062600255
126514322	XLogP3-AA	0.2
13473	Hydrogen_Bond_Acceptor_Count	2
70682212	Rotatable_Bond_Count	4
5464436	Exact_Mass	389.14993230
77338	Undefined_Atom_Stereo_Count	0
24947	Molecular_Weight	183.32
6437859	Mono_Isotopic_Weight	224.1080262
5280953	XLogP3	3.6
5743835	Non-hydrogen_Atom_Count	19
86013	Mono_Isotopic_Weight	219.162314293
9908783	Undefined_Bond_Stereo_Count	0
14786610	Non-hydrogen_Atom_Count	7
6455792	TPSA	62.8
68321924	Non-hydrogen_Atom_Count	26
11048	Covalent_Unit_Count	3
672	Exact_Mass	326.12263431
18656	Total_Formal_Charge	0
22323244	Defined_Bond_Stereo_Count	0
48670	XLogP3-AA	0.5
24642	Structure_Complexity	2
3387354	Molecular_Weight	393.4
53356659	Structure_Complexity	1580
16376	Non-hydrogen_Atom_Count	8
24733	Non-hydrogen_Atom_Count	28
11126249	Total_Formal_Charge	0
63991	Isotope_Atom_Count	0
68023	XLogP3	1.6
5279172	Exact_Mass	388.13355396
5497143	Defined_Bond_Stereo_Count	1
3000226	Isotope_Atom_Count	0
86	Rotatable_Bond_Count	1
5281069	Hydrogen_Bond_Donor_Count	2
24208	Defined_Atom_Stereo_Count	0
442972	Defined_Atom_Stereo_Count	10
92151	Defined_Atom_Stereo_Count	0
444863	TPSA	90.2
155903168	Hydrogen_Bond_Acceptor_Count	14
5492898	Total_Formal_Charge	0
19428934	Undefined_Bond_Stereo_Count	0
12791421	Non-hydrogen_Atom_Count	8
12205	Mono_Isotopic_Weight	180.0221037
58340	Structure_Complexity	252
413457	Hydrogen_Bond_Donor_Count	3
6437063	Undefined_Atom_Stereo_Count	0
278711	Isotope_Atom_Count	0
55191	Defined_Atom_Stereo_Count	0
78576	Undefined_Bond_Stereo_Count	0
312666	Mono_Isotopic_Weight	100.063662883
20495	Defined_Bond_Stereo_Count	0
19954	Hydrogen_Bond_Acceptor_Count	4
23662369	Mono_Isotopic_Weight	304.08238656
20172	Non-hydrogen_Atom_Count	30
12626561	TPSA	44.5
15207340	Undefined_Atom_Stereo_Count	1
98614	Structure_Complexity	292
39897	Molecular_Weight	475.5
22747783	Structure_Complexity	90.2
31953	Rotatable_Bond_Count	3
22719613	Defined_Atom_Stereo_Count	0
31593	Defined_Bond_Stereo_Count	0
15787996	Covalent_Unit_Count	2
105101	Structure_Complexity	255
13639659	Defined_Bond_Stereo_Count	0
134824657	Exact_Mass	529.21726296
10658	XLogP3	2
518760	Non-hydrogen_Atom_Count	7
161091	Total_Formal_Charge	0
656999	Defined_Bond_Stereo_Count	1
7980	Defined_Bond_Stereo_Count	0
11697697	Defined_Atom_Stereo_Count	0
28936	TPSA	46.5
679386	Non-hydrogen_Atom_Count	19
131878633	Defined_Bond_Stereo_Count	0
3604	XLogP3-AA	1.8
680036	Total_Formal_Charge	0
3674	Undefined_Bond_Stereo_Count	1
20560	Tautomer_Count	2
59295925	Undefined_Bond_Stereo_Count	0
17748	Exact_Mass	207.0087061
5232201	Defined_Bond_Stereo_Count	0
5282321	Hydrogen_Bond_Donor_Count	3
6063	Molecular_Weight	479.0
16290686	Undefined_Bond_Stereo_Count	0
148184	Hydrogen_Bond_Acceptor_Count	3
969105	Defined_Atom_Stereo_Count	0
89019320	Hydrogen_Bond_Donor_Count	1
534451	XLogP3	2.2
54011	Molecular_Weight	498.7
6871216	Exact_Mass	511.99526894
23293	Non-hydrogen_Atom_Count	7
424893	Exact_Mass	625.24334160
24848403	Mono_Isotopic_Weight	321.1971756
87110	Mono_Isotopic_Weight	151.0188769
9804992	Non-hydrogen_Atom_Count	31
6858209	Undefined_Atom_Stereo_Count	0
883785	Isotope_Atom_Count	0
13244490	Undefined_Atom_Stereo_Count	0
20782688	Undefined_Bond_Stereo_Count	0
10301	Molecular_Weight	136.15
197344	Structure_Complexity	388
65909	Molecular_Weight	428.5
2795	TPSA	23.5
5329102	Exact_Mass	398.21180428
60937	Total_Formal_Charge	0
23102733	Defined_Bond_Stereo_Count	0
70689350	Hydrogen_Bond_Acceptor_Count	6
71818	Total_Formal_Charge	0
56927690	Hydrogen_Bond_Donor_Count	6
72199540	Structure_Complexity	1040
107217	Mono_Isotopic_Weight	196.146329876
73847	Structure_Complexity	163
102059952	Undefined_Atom_Stereo_Count	0
159325	Structure_Complexity	889
123208701	Covalent_Unit_Count	1
2795878	Structure_Complexity	94.4
154574010	Non-hydrogen_Atom_Count	17
54690394	Covalent_Unit_Count	1
17750388	Structure_Complexity	69.7
55212037	Hydrogen_Bond_Acceptor_Count	4
10746	Exact_Mass	485.91889
11566378	Hydrogen_Bond_Donor_Count	2
130153178	Hydrogen_Bond_Acceptor_Count	3
65124	Undefined_Atom_Stereo_Count	0
23667628	Isotope_Atom_Count	0
16932	Exact_Mass	216.093900383
15909	Exact_Mass	146.073164938
67528035	Defined_Atom_Stereo_Count	0
18719616	Undefined_Bond_Stereo_Count	0
67944	Molecular_Weight	214.3
15092989	Undefined_Bond_Stereo_Count	0
57399614	Molecular_Weight	543.6
10947574	Hydrogen_Bond_Donor_Count	3
44225660	XLogP3-AA	7.5
12909725	Hydrogen_Bond_Donor_Count	0
49865920	Defined_Bond_Stereo_Count	0
62683	Structure_Complexity	2
14168316	Undefined_Bond_Stereo_Count	0
138975	Total_Formal_Charge	0
23663963	Defined_Atom_Stereo_Count	0
2733352	Undefined_Bond_Stereo_Count	0
82458	XLogP3-AA	5.9
37249	Structure_Complexity	258
4413	Structure_Complexity	552
165363453	Isotope_Atom_Count	1
3055171	Total_Formal_Charge	0
13786729	Non-hydrogen_Atom_Count	8
71157	Hydrogen_Bond_Acceptor_Count	2
90225710	Isotope_Atom_Count	0
114781	Hydrogen_Bond_Acceptor_Count	2
69967	Undefined_Atom_Stereo_Count	0
12707110	Exact_Mass	85.052763847
141112	Undefined_Atom_Stereo_Count	0
662452	Exact_Mass	448.21442669
334102	XLogP3-AA	3.5
8085	Total_Formal_Charge	0
81638	Hydrogen_Bond_Acceptor_Count	3
66068	Defined_Atom_Stereo_Count	0
73619	Non-hydrogen_Atom_Count	47
56955068	Defined_Bond_Stereo_Count	0
136704	Structure_Complexity	63.4
102249560	Hydrogen_Bond_Donor_Count	3
127909	Defined_Bond_Stereo_Count	0
5367412	Structure_Complexity	129
697993	TPSA	69.4
69033681	Rotatable_Bond_Count	1
439240	Defined_Atom_Stereo_Count	3
7802604	Isotope_Atom_Count	0
63973	Total_Formal_Charge	0
12047567	Exact_Mass	1150.44734
6649	Structure_Complexity	516
3283	Hydrogen_Bond_Acceptor_Count	1
30291	XLogP3-AA	2.5
439369	Rotatable_Bond_Count	9
68374	Defined_Atom_Stereo_Count	0
12995	Defined_Atom_Stereo_Count	0
161272	Non-hydrogen_Atom_Count	38
105426997	Rotatable_Bond_Count	1
89162	Covalent_Unit_Count	2
439524	Rotatable_Bond_Count	3
7098630	Undefined_Bond_Stereo_Count	0
130025208	Total_Formal_Charge	0
186044	Rotatable_Bond_Count	1
10232719	TPSA	47.1
2724429	Rotatable_Bond_Count	4
8468	Defined_Atom_Stereo_Count	0
53796229	Hydrogen_Bond_Acceptor_Count	2
3047	Rotatable_Bond_Count	6
10622871	Undefined_Bond_Stereo_Count	0
2723866	Structure_Complexity	155
51380890	Molecular_Weight	275.73
9850056	Defined_Bond_Stereo_Count	0
89789591	Undefined_Bond_Stereo_Count	0
5501	Rotatable_Bond_Count	4
87292009	Mono_Isotopic_Weight	110.073164938
59325013	Structure_Complexity	88.1
443003	Defined_Atom_Stereo_Count	2
12075598	Rotatable_Bond_Count	0
65773	Structure_Complexity	151
13791	XLogP3	6
38251	Defined_Atom_Stereo_Count	0
8443	Tautomer_Count	3
1274476	Exact_Mass	99.068413911
46902102	Mono_Isotopic_Weight	1114.49035070
5551	XLogP3-AA	7.9
39075	Rotatable_Bond_Count	6
23350	Total_Formal_Charge	0
65708	Covalent_Unit_Count	1
13027232	Defined_Atom_Stereo_Count	0
13465757	Structure_Complexity	261
58407	Isotope_Atom_Count	0
25142444	Undefined_Bond_Stereo_Count	0
3282	Molecular_Weight	165.19
145706202	Non-hydrogen_Atom_Count	33
18636	TPSA	18.5
10757	Mono_Isotopic_Weight	154.0185425
185554	Defined_Bond_Stereo_Count	0
451417	Molecular_Weight	679.8
9909623	Covalent_Unit_Count	1
22335779	Undefined_Atom_Stereo_Count	2
4419	Molecular_Weight	357.4
681255	TPSA	68.5
61850	Total_Formal_Charge	0
40087	Undefined_Atom_Stereo_Count	0
21187035	Undefined_Atom_Stereo_Count	0
44230575	Undefined_Bond_Stereo_Count	0
32924	Molecular_Weight	196.25
9547919	Isotope_Atom_Count	0
4496	Tautomer_Count	2
304265	Exact_Mass	108.068748264
16129704	Defined_Atom_Stereo_Count	16
446495	Isotope_Atom_Count	0
11519741	Structure_Complexity	647
28003	Defined_Atom_Stereo_Count	0
435111	Defined_Atom_Stereo_Count	0
11485687	Mono_Isotopic_Weight	376.10347683
123976	XLogP3-AA	7.1
4194	Mono_Isotopic_Weight	883.45654973
6331630	Defined_Bond_Stereo_Count	0
2844	Hydrogen_Bond_Acceptor_Count	7
527	Undefined_Bond_Stereo_Count	0
41280	Defined_Atom_Stereo_Count	0
135398596	Tautomer_Count	9
12550	Undefined_Bond_Stereo_Count	0
13159	Non-hydrogen_Atom_Count	7
524314	TPSA	0
12471	Exact_Mass	194.940932
59503407	Hydrogen_Bond_Donor_Count	5
9796068	Hydrogen_Bond_Donor_Count	1
7225	XLogP3-AA	2.2
10459649	Hydrogen_Bond_Acceptor_Count	9
163962080	XLogP3-AA	0.2
123452974	Isotope_Atom_Count	0
10298	Defined_Atom_Stereo_Count	0
6857497	Rotatable_Bond_Count	0
16051995	Non-hydrogen_Atom_Count	53
3016416	Exact_Mass	335.15551483
68013637	Hydrogen_Bond_Donor_Count	8
54041	Undefined_Atom_Stereo_Count	0
78276	Hydrogen_Bond_Donor_Count	0
55255285	Undefined_Atom_Stereo_Count	1
58040	Undefined_Atom_Stereo_Count	1
9948894	Non-hydrogen_Atom_Count	22
5325574	Molecular_Weight	115.17
9020	Non-hydrogen_Atom_Count	10
71429293	Molecular_Weight	100.16
30107	XLogP3-AA	4.6
3938668	Rotatable_Bond_Count	15
657308	Rotatable_Bond_Count	6
33353	Structure_Complexity	834
4619	Undefined_Atom_Stereo_Count	0
69695	Defined_Bond_Stereo_Count	0
5323604	Undefined_Atom_Stereo_Count	0
49142	Hydrogen_Bond_Donor_Count	3
69860	Isotope_Atom_Count	0
774	Defined_Atom_Stereo_Count	0
521226	TPSA	0
14597941	Hydrogen_Bond_Acceptor_Count	2
72015	Tautomer_Count	4
1093	Undefined_Bond_Stereo_Count	0
120081	Undefined_Atom_Stereo_Count	0
798232	Undefined_Atom_Stereo_Count	0
13682918	Structure_Complexity	95.7
66503	Non-hydrogen_Atom_Count	32
76223700	Hydrogen_Bond_Donor_Count	1
14889074	Undefined_Bond_Stereo_Count	0
441412	Exact_Mass	403.1914215
10271	TPSA	164
3739	Total_Formal_Charge	0
24892722	Structure_Complexity	151
87653	Undefined_Bond_Stereo_Count	0
11538455	TPSA	95.3
817470	Covalent_Unit_Count	1
45791267	Hydrogen_Bond_Acceptor_Count	3
4178022	Isotope_Atom_Count	0
135418373	Defined_Bond_Stereo_Count	0
165157	Defined_Atom_Stereo_Count	12
138349	Structure_Complexity	127
68624	Hydrogen_Bond_Acceptor_Count	8
3344847	Mono_Isotopic_Weight	429.05049494
6097028	Exact_Mass	132.02047791
11194	Structure_Complexity	49.2
22463	Exact_Mass	350.04352203
57401371	Structure_Complexity	762
93011	Molecular_Weight	163.60
66813914	TPSA	95.5
24229456	Exact_Mass	108.032362755
20517892	Mono_Isotopic_Weight	202.15689456
4285	Molecular_Weight	327.5
471	Molecular_Weight	304.25
14512532	Hydrogen_Bond_Donor_Count	1
71629	Defined_Atom_Stereo_Count	0
661093	Total_Formal_Charge	0
6871	Molecular_Weight	216.23
151177	Exact_Mass	404.25627424
11382	Rotatable_Bond_Count	3
145454105	Exact_Mass	358.14884905
102821	Defined_Atom_Stereo_Count	0
963	Structure_Complexity	1660
142350	Rotatable_Bond_Count	1
7724	Hydrogen_Bond_Acceptor_Count	1
58233	Total_Formal_Charge	0
693802	Isotope_Atom_Count	0
14895	Exact_Mass	430.02530576
5905	Undefined_Bond_Stereo_Count	0
33099	Defined_Atom_Stereo_Count	0
18195	TPSA	88
12842600	Defined_Atom_Stereo_Count	0
165706199	Structure_Complexity	1370
108054	Hydrogen_Bond_Acceptor_Count	1
139064002	Covalent_Unit_Count	4
16950	Total_Formal_Charge	0
5370325	Isotope_Atom_Count	0
15009279	Total_Formal_Charge	0
3035569	Structure_Complexity	175
13163973	Isotope_Atom_Count	0
4745	Total_Formal_Charge	0
5284656	Hydrogen_Bond_Acceptor_Count	2
25059	Hydrogen_Bond_Acceptor_Count	2
224001	Rotatable_Bond_Count	2
9903930	Structure_Complexity	375
3025961	Defined_Bond_Stereo_Count	0
101049151	Isotope_Atom_Count	0
146993530	Molecular_Weight	108.18
76720	XLogP3-AA	0.7
13464587	Molecular_Weight	107.11
14301363	Mono_Isotopic_Weight	408.28757437
11651149	Molecular_Weight	71.12
16760153	Hydrogen_Bond_Donor_Count	0
18442682	Isotope_Atom_Count	0
57586998	TPSA	48.9
3365	Undefined_Atom_Stereo_Count	0
13734170	Defined_Bond_Stereo_Count	0
11735949	Undefined_Atom_Stereo_Count	0
16219580	Structure_Complexity	151
1507	TPSA	87.6
139171227	Covalent_Unit_Count	1
24436	Tautomer_Count	1
5595	Mono_Isotopic_Weight	284.152477885
16129878	Hydrogen_Bond_Acceptor_Count	46
122356	TPSA	55.1
12138	Molecular_Weight	212.29
131567	XLogP3-AA	3.9
80278	Defined_Bond_Stereo_Count	0
92283	Non-hydrogen_Atom_Count	12
19768091	Hydrogen_Bond_Donor_Count	0
10433	Hydrogen_Bond_Donor_Count	2
76263	Rotatable_Bond_Count	4
4870	Defined_Atom_Stereo_Count	0
5282546	XLogP3-AA	4.9
13570060	Undefined_Bond_Stereo_Count	0
4744	Undefined_Bond_Stereo_Count	0
72959169	Rotatable_Bond_Count	9
1069	Defined_Bond_Stereo_Count	0
1647	TPSA	49.8
20503	Exact_Mass	388.22497412
506152	Total_Formal_Charge	0
21899743	Total_Formal_Charge	0
27934	Mono_Isotopic_Weight	222.115698455
89408	XLogP3-AA	3.3
10909499	Hydrogen_Bond_Acceptor_Count	2
44407551	TPSA	151
7499	Defined_Atom_Stereo_Count	0
57515976	Rotatable_Bond_Count	1
69146	Covalent_Unit_Count	1
90957864	Total_Formal_Charge	0
76672	Structure_Complexity	222
26923	Undefined_Bond_Stereo_Count	0
444013	Isotope_Atom_Count	0
267449	Hydrogen_Bond_Donor_Count	1
18949974	Hydrogen_Bond_Acceptor_Count	3
10931394	Defined_Bond_Stereo_Count	0
72941955	Covalent_Unit_Count	1
130993429	Total_Formal_Charge	0
64973730	Hydrogen_Bond_Donor_Count	2
12275055	Undefined_Bond_Stereo_Count	0
7507	Non-hydrogen_Atom_Count	8
9951059	Rotatable_Bond_Count	5
904857	Tautomer_Count	1
138203	TPSA	30.7
19010362	Covalent_Unit_Count	1
34521	Rotatable_Bond_Count	2
11932	Exact_Mass	284.0847040
130149197	Mono_Isotopic_Weight	110.073164938
60840	Rotatable_Bond_Count	4
23702658	Total_Formal_Charge	0
40326	TPSA	35.5
71449805	Hydrogen_Bond_Donor_Count	1
171296	Exact_Mass	291.1138399
54572793	Mono_Isotopic_Weight	100.063662883
10278470	Structure_Complexity	686
153085381	Undefined_Bond_Stereo_Count	0
56949747	Covalent_Unit_Count	1
2734952	Molecular_Weight	246.25
2723854	Isotope_Atom_Count	0
57131886	Covalent_Unit_Count	1
205708	Hydrogen_Bond_Donor_Count	2
402827	Defined_Bond_Stereo_Count	0
2723853	Defined_Bond_Stereo_Count	0
18924614	Total_Formal_Charge	0
90735699	Mono_Isotopic_Weight	111.068413911
51417552	Exact_Mass	288.17254462
44392148	Structure_Complexity	651
11839	Hydrogen_Bond_Acceptor_Count	1
52007	TPSA	41.1
50938	Covalent_Unit_Count	1
5504	Undefined_Atom_Stereo_Count	0
68027	Isotope_Atom_Count	0
5487713	Defined_Bond_Stereo_Count	1
54071	Rotatable_Bond_Count	5
19589	Rotatable_Bond_Count	3
2724372	Molecular_Weight	294.4
9409	Mono_Isotopic_Weight	959.9824113
86287519	Defined_Bond_Stereo_Count	1
70685495	Structure_Complexity	1220
74823	Mono_Isotopic_Weight	246.0447573
44563066	Covalent_Unit_Count	1
652840	Non-hydrogen_Atom_Count	30
135398729	TPSA	134
160470	Hydrogen_Bond_Acceptor_Count	3
70337	Defined_Atom_Stereo_Count	0
73154880	Defined_Bond_Stereo_Count	0
135935707	Structure_Complexity	276
66803155	Exact_Mass	711.29042790
6332	Total_Formal_Charge	0
94176	Exact_Mass	120.04225873
77987229	Covalent_Unit_Count	1
18447	Hydrogen_Bond_Donor_Count	1
131676399	Exact_Mass	378.13146766
87125982	Total_Formal_Charge	0
69488	Structure_Complexity	25.5
86583	Undefined_Bond_Stereo_Count	0
429095	Structure_Complexity	198
88283211	Undefined_Bond_Stereo_Count	0
160419	Rotatable_Bond_Count	1
16217215	Isotope_Atom_Count	0
139356	Undefined_Atom_Stereo_Count	1
44477	Covalent_Unit_Count	1
295763	Undefined_Bond_Stereo_Count	0
95978	Undefined_Atom_Stereo_Count	0
24767757	Undefined_Atom_Stereo_Count	0
8923	Tautomer_Count	1
66086	Tautomer_Count	1
148708	Exact_Mass	258.98441
163285106	XLogP3-AA	6.8
5376979	Non-hydrogen_Atom_Count	18
12734620	XLogP3-AA	1.9
24568	Hydrogen_Bond_Acceptor_Count	20
53393583	Undefined_Bond_Stereo_Count	0
70695758	Hydrogen_Bond_Donor_Count	2
19773393	Defined_Atom_Stereo_Count	0
29051	Non-hydrogen_Atom_Count	76
4674	Undefined_Atom_Stereo_Count	0
10049	Molecular_Weight	154.25
104938	Mono_Isotopic_Weight	360.12677620
14365987	Hydrogen_Bond_Donor_Count	0
180504	Non-hydrogen_Atom_Count	27
54584750	TPSA	130
93203	Hydrogen_Bond_Acceptor_Count	4
13445118	Molecular_Weight	116.16
3038517	Undefined_Bond_Stereo_Count	0
146156434	Molecular_Weight	602.9
91003779	Hydrogen_Bond_Acceptor_Count	1
76225552	Total_Formal_Charge	0
57013	XLogP3-AA	3.8
129689385	Total_Formal_Charge	0
5742590	XLogP3-AA	7.7
139060618	Undefined_Bond_Stereo_Count	0
11381	Defined_Atom_Stereo_Count	0
11122452	Defined_Bond_Stereo_Count	0
11095	Hydrogen_Bond_Acceptor_Count	6
57399429	Undefined_Atom_Stereo_Count	0
21625894	Non-hydrogen_Atom_Count	59
568783	Rotatable_Bond_Count	2
14717865	TPSA	17.8
6451151	Total_Formal_Charge	0
162990682	Exact_Mass	665.30474055
10855428	Isotope_Atom_Count	0
42645	Defined_Bond_Stereo_Count	0
17857	Isotope_Atom_Count	0
57417608	Hydrogen_Bond_Acceptor_Count	1
21353681	Covalent_Unit_Count	1
56991328	Defined_Atom_Stereo_Count	0
17887248	Mono_Isotopic_Weight	85.027611728
25512	Non-hydrogen_Atom_Count	6
12536263	Covalent_Unit_Count	1
14036559	Molecular_Weight	440.7
448209	Undefined_Atom_Stereo_Count	0
12193680	Undefined_Bond_Stereo_Count	0
5367564	Hydrogen_Bond_Donor_Count	0
70957	Defined_Bond_Stereo_Count	0
82728	Defined_Bond_Stereo_Count	0
139062042	Defined_Bond_Stereo_Count	0
134664	Non-hydrogen_Atom_Count	11
165993043	XLogP3-AA	1.4
69332716	Hydrogen_Bond_Acceptor_Count	3
163727	Molecular_Weight	236.10
56327	Covalent_Unit_Count	1
105426996	Structure_Complexity	134
119093923	Hydrogen_Bond_Acceptor_Count	4
139670117	Undefined_Bond_Stereo_Count	0
19073515	Undefined_Atom_Stereo_Count	1
139113917	Hydrogen_Bond_Acceptor_Count	12
24891700	Exact_Mass	427.20082506
143122	Exact_Mass	110.109550447
67643	Molecular_Weight	410.06
17860	Tautomer_Count	1
86017	Undefined_Bond_Stereo_Count	0
4119106	Hydrogen_Bond_Donor_Count	1
36572	Mono_Isotopic_Weight	406.1560391
5287565	Rotatable_Bond_Count	0
21139953	Isotope_Atom_Count	0
107282	Hydrogen_Bond_Donor_Count	0
14030006	Mono_Isotopic_Weight	932.76803489
9247	Undefined_Bond_Stereo_Count	0
59015	Defined_Bond_Stereo_Count	0
601880	Non-hydrogen_Atom_Count	13
58270057	Isotope_Atom_Count	0
44308032	TPSA	56.9
70683091	Structure_Complexity	683
99338	Isotope_Atom_Count	0
74802	Defined_Bond_Stereo_Count	0
72200670	Exact_Mass	348.13481644
20531373	TPSA	16.4
120096	Defined_Atom_Stereo_Count	0
20514191	Hydrogen_Bond_Donor_Count	1
92781	Total_Formal_Charge	0
21417244	Undefined_Bond_Stereo_Count	0
72200444	Rotatable_Bond_Count	16
680	Covalent_Unit_Count	1
90202	Tautomer_Count	1
10620213	TPSA	104
9887537	Molecular_Weight	405.5
2318095	Undefined_Atom_Stereo_Count	0
7875	Defined_Bond_Stereo_Count	0
68168755	Structure_Complexity	134
60919	Isotope_Atom_Count	0
65679	Isotope_Atom_Count	0
131801164	Mono_Isotopic_Weight	453.18346091
964	Non-hydrogen_Atom_Count	7
95162415	Undefined_Atom_Stereo_Count	0
62333	Covalent_Unit_Count	1
85025	Total_Formal_Charge	0
9843640	Total_Formal_Charge	0
18779169	Molecular_Weight	112.13
776461	Non-hydrogen_Atom_Count	12
140710	Exact_Mass	116.083729621
2762834	Defined_Bond_Stereo_Count	0
518700	Hydrogen_Bond_Donor_Count	0
44629522	Exact_Mass	582.31433815
18050	Structure_Complexity	62.7
5198	Hydrogen_Bond_Donor_Count	1
31269	Covalent_Unit_Count	1
5360487	Defined_Bond_Stereo_Count	0
73398	Hydrogen_Bond_Donor_Count	2
11732	Undefined_Atom_Stereo_Count	1
13997619	Structure_Complexity	79.8
54186	Hydrogen_Bond_Acceptor_Count	4
11471380	Defined_Bond_Stereo_Count	0
12038941	Undefined_Atom_Stereo_Count	0
57395978	Isotope_Atom_Count	0
6025	Covalent_Unit_Count	1
59277791	Exact_Mass	112.063662883
6426849	Exact_Mass	329.12969401
71884	Tautomer_Count	48
9064	Hydrogen_Bond_Acceptor_Count	6
134393564	Isotope_Atom_Count	0
54740489	Molecular_Weight	390.31
6271688	Non-hydrogen_Atom_Count	36
88547603	Hydrogen_Bond_Donor_Count	5
26106	Rotatable_Bond_Count	3
36382	Undefined_Atom_Stereo_Count	0
66792573	Rotatable_Bond_Count	1
83096	Defined_Atom_Stereo_Count	0
70689065	Structure_Complexity	999
24958528	Structure_Complexity	757
191	Non-hydrogen_Atom_Count	19
18206	TPSA	12.5
27400	Defined_Atom_Stereo_Count	0
44563177	Undefined_Bond_Stereo_Count	0
393602	Exact_Mass	434.17293854
51030056	Non-hydrogen_Atom_Count	30
9861452	Total_Formal_Charge	0
135415794	Defined_Atom_Stereo_Count	4
76155	Undefined_Atom_Stereo_Count	0
29845	XLogP3	2.7
130002904	Undefined_Atom_Stereo_Count	3
130035	Total_Formal_Charge	0
3783514	Hydrogen_Bond_Acceptor_Count	3
72732	Molecular_Weight	242.27
13019052	Rotatable_Bond_Count	6
90736069	Hydrogen_Bond_Donor_Count	2
39268	Isotope_Atom_Count	0
10347	Molecular_Weight	200.10
9771	TPSA	38.7
520527	Defined_Atom_Stereo_Count	0
57345768	Molecular_Weight	665.7
179832	Non-hydrogen_Atom_Count	8
72943	Isotope_Atom_Count	0
134129158	Exact_Mass	336.97721
449381	Tautomer_Count	2
16837	Rotatable_Bond_Count	4
9086	Mono_Isotopic_Weight	75.068413911
40703	Mono_Isotopic_Weight	589.14023
124427842	Total_Formal_Charge	0
71080	Hydrogen_Bond_Donor_Count	2
12347357	Undefined_Bond_Stereo_Count	0
25210	Structure_Complexity	125
122361564	XLogP3-AA	5.9
91493	Rotatable_Bond_Count	7
3623	Undefined_Atom_Stereo_Count	3
535717	Molecular_Weight	99.13
3014138	Mono_Isotopic_Weight	123.068413911
724	Tautomer_Count	1
123995	Molecular_Weight	740.2
14535399	Mono_Isotopic_Weight	106.9899821
443115	TPSA	184
21666609	Mono_Isotopic_Weight	99.068413911
11251803	Defined_Atom_Stereo_Count	16
2912	Defined_Bond_Stereo_Count	0
29089	Hydrogen_Bond_Donor_Count	18
81391	Hydrogen_Bond_Acceptor_Count	4
20787	Undefined_Atom_Stereo_Count	0
16719897	Mono_Isotopic_Weight	207.06226
13506	Exact_Mass	603.92689092
71464121	Mono_Isotopic_Weight	96.057514874
12672	XLogP3-AA	2
75633	XLogP3-AA	0.5
535031	Hydrogen_Bond_Donor_Count	0
15670683	Undefined_Atom_Stereo_Count	2
6235	Covalent_Unit_Count	1
66582	Exact_Mass	173.047678466
24721103	Isotope_Atom_Count	0
148195	Hydrogen_Bond_Donor_Count	1
135546352	Total_Formal_Charge	0
2987927	Defined_Atom_Stereo_Count	0
59755734	XLogP3-AA	0.5
17714	Non-hydrogen_Atom_Count	21
44310513	Exact_Mass	391.19296297
5364712	Hydrogen_Bond_Donor_Count	1
145188444	TPSA	55.4
5313988	Exact_Mass	522.35596503
853433	Isotope_Atom_Count	0
4460493	Hydrogen_Bond_Donor_Count	0
105000	Isotope_Atom_Count	0
22818	Hydrogen_Bond_Donor_Count	1
10134310	Defined_Atom_Stereo_Count	0
734884	Isotope_Atom_Count	0
18314506	Non-hydrogen_Atom_Count	7
2756017	Hydrogen_Bond_Donor_Count	1
17649	Defined_Atom_Stereo_Count	1
11319223	Structure_Complexity	691
69365	Undefined_Bond_Stereo_Count	0
15193678	Total_Formal_Charge	0
74754	Structure_Complexity	396
15593	Defined_Bond_Stereo_Count	0
20943	Mono_Isotopic_Weight	366.07079941
6672	Mono_Isotopic_Weight	151.063328530
5845	Tautomer_Count	1
88371993	Defined_Atom_Stereo_Count	0
274080	Non-hydrogen_Atom_Count	29
56955181	Mono_Isotopic_Weight	350.178298710
140449	Molecular_Weight	83.09
9696	Isotope_Atom_Count	0
65718	Total_Formal_Charge	0
36858	Defined_Atom_Stereo_Count	0
68022407	Mono_Isotopic_Weight	112.063662883
13791578	Covalent_Unit_Count	1
90488771	Structure_Complexity	755
11185559	XLogP3-AA	4.4
5284461	Covalent_Unit_Count	1
5885030	Non-hydrogen_Atom_Count	26
13704589	Hydrogen_Bond_Donor_Count	1
4523333	Molecular_Weight	151.14
4692287	XLogP3	3.9
6324663	Defined_Atom_Stereo_Count	7
124905	Defined_Bond_Stereo_Count	0
15407	Defined_Atom_Stereo_Count	0
447227	Molecular_Weight	276.35
57398259	TPSA	102
3315	Hydrogen_Bond_Donor_Count	8
5424	Covalent_Unit_Count	1
23540	Rotatable_Bond_Count	2
5313082	Rotatable_Bond_Count	36
250451	Total_Formal_Charge	0
10534631	Non-hydrogen_Atom_Count	8
7421	Non-hydrogen_Atom_Count	10
53232451	Undefined_Atom_Stereo_Count	0
52943269	Defined_Atom_Stereo_Count	1
139589209	Covalent_Unit_Count	1
611834	Non-hydrogen_Atom_Count	25
5282706	Defined_Bond_Stereo_Count	1
21282995	XLogP3-AA	0.2
52568	Total_Formal_Charge	0
8627	Exact_Mass	804.04570957
12198	Tautomer_Count	1
60054	Tautomer_Count	1
6451	Covalent_Unit_Count	1
22288608	Mono_Isotopic_Weight	106.053098200
667550	Undefined_Atom_Stereo_Count	0
3003141	Defined_Atom_Stereo_Count	1
123688932	Defined_Atom_Stereo_Count	0
124224932	Non-hydrogen_Atom_Count	59
5328126	Hydrogen_Bond_Donor_Count	2
13838145	Mono_Isotopic_Weight	92.062600255
12321786	Undefined_Bond_Stereo_Count	0
6450173	Covalent_Unit_Count	5
10942665	Exact_Mass	154.062994177
543	Total_Formal_Charge	0
346	Molecular_Weight	272.25
66204	Mono_Isotopic_Weight	246.81429
14463	Hydrogen_Bond_Acceptor_Count	6
800	Defined_Bond_Stereo_Count	0
124770286	Undefined_Atom_Stereo_Count	0
135499741	Tautomer_Count	5
12290023	Exact_Mass	116.083729621
21093905	Exact_Mass	378.1458683
6392641	Exact_Mass	824.368622
66494	Molecular_Weight	320.3
11229	Defined_Atom_Stereo_Count	0
20695	Covalent_Unit_Count	1
10113978	Hydrogen_Bond_Donor_Count	2
520847	Covalent_Unit_Count	1
3033851	Covalent_Unit_Count	1
10486806	Undefined_Atom_Stereo_Count	1
9920369	XLogP3-AA	0.3
60196307	Exact_Mass	482.14871294
3151	Hydrogen_Bond_Acceptor_Count	3
6067	Defined_Bond_Stereo_Count	0
12701621	TPSA	58.6
398700	Defined_Bond_Stereo_Count	0
25023836	Isotope_Atom_Count	0
441332	Mono_Isotopic_Weight	368.25627424
76771	Rotatable_Bond_Count	1
1707	Defined_Atom_Stereo_Count	0
95809	Undefined_Bond_Stereo_Count	0
4339626	Isotope_Atom_Count	0
8406	Non-hydrogen_Atom_Count	11
12259685	Rotatable_Bond_Count	2
12779729	Undefined_Bond_Stereo_Count	0
81099	Exact_Mass	137.084063974
8058	Undefined_Bond_Stereo_Count	0
439839	Exact_Mass	100.088815002
70400351	Hydrogen_Bond_Donor_Count	1
11477442	Total_Formal_Charge	0
12447	TPSA	75.9
89137	Defined_Atom_Stereo_Count	0
53678703	Non-hydrogen_Atom_Count	8
10687	Covalent_Unit_Count	1
9868452	Isotope_Atom_Count	0
42000	Non-hydrogen_Atom_Count	18
8739	Mono_Isotopic_Weight	201.00957888
123603692	Non-hydrogen_Atom_Count	8
15074	Molecular_Weight	122.12
9855453	Isotope_Atom_Count	0
21201338	Structure_Complexity	206
2367	Molecular_Weight	472.4
13248942	Non-hydrogen_Atom_Count	7
59882246	Mono_Isotopic_Weight	111.068413911
69722	XLogP3-AA	1.3
219224	Exact_Mass	113.047678466
53940807	Hydrogen_Bond_Acceptor_Count	0
444037	Exact_Mass	836.52456972
54261087	TPSA	40.5
5256228	Covalent_Unit_Count	1
60196384	Defined_Atom_Stereo_Count	0
8490	Molecular_Weight	222.12
10129911	Defined_Atom_Stereo_Count	0
33166	Isotope_Atom_Count	0
123424	Isotope_Atom_Count	0
50	Exact_Mass	194.04265265
46930997	Mono_Isotopic_Weight	317.152812238
223	Undefined_Bond_Stereo_Count	0
3613700	Total_Formal_Charge	0
424353	Undefined_Atom_Stereo_Count	3
9863827	Total_Formal_Charge	0
27058	Molecular_Weight	292.49
22227744	Molecular_Weight	161.23
73246	Hydrogen_Bond_Donor_Count	4
277694	Undefined_Bond_Stereo_Count	0
412795	Hydrogen_Bond_Donor_Count	0
59450	Exact_Mass	368.23380221
154734215	Undefined_Bond_Stereo_Count	0
9518	Undefined_Atom_Stereo_Count	0
137138801	Isotope_Atom_Count	0
12245073	Undefined_Bond_Stereo_Count	0
14767815	XLogP3-AA	0.6
83803459	XLogP3-AA	0
55286809	Non-hydrogen_Atom_Count	8
23029	Mono_Isotopic_Weight	217.94979
20943	Undefined_Atom_Stereo_Count	3
21715587	Exact_Mass	110.048012819
3025961	Undefined_Atom_Stereo_Count	0
4056	Defined_Atom_Stereo_Count	0
19883311	Molecular_Weight	102.14
135966012	Total_Formal_Charge	0
88861581	Exact_Mass	110.073164938
52949373	Covalent_Unit_Count	1
22055193	Covalent_Unit_Count	1
20056626	Undefined_Atom_Stereo_Count	1
70276605	Hydrogen_Bond_Acceptor_Count	6
137606	Defined_Atom_Stereo_Count	0
101649230	Total_Formal_Charge	0
70684	Rotatable_Bond_Count	2
846942	Isotope_Atom_Count	0
44318267	Exact_Mass	390.11504700
6918193	Undefined_Atom_Stereo_Count	0
11105318	Hydrogen_Bond_Acceptor_Count	1
57417608	Isotope_Atom_Count	0
162302	TPSA	41.5
80507	Mono_Isotopic_Weight	104.047344113
566589	Tautomer_Count	2
12456033	Hydrogen_Bond_Donor_Count	0
11306073	Hydrogen_Bond_Donor_Count	6
11205720	Undefined_Atom_Stereo_Count	0
9815326	Undefined_Bond_Stereo_Count	0
96359	Tautomer_Count	1
144404363	Hydrogen_Bond_Acceptor_Count	2
43876	Hydrogen_Bond_Donor_Count	0
20871316	Mono_Isotopic_Weight	112.088815002
1248527	Covalent_Unit_Count	1
8205	Undefined_Atom_Stereo_Count	0
23409	Undefined_Bond_Stereo_Count	0
899	Undefined_Atom_Stereo_Count	5
3048356	Mono_Isotopic_Weight	321.209264485
54120934	Structure_Complexity	67.2
86467	Structure_Complexity	466
529031	Undefined_Bond_Stereo_Count	0
57147295	Exact_Mass	100.052429494
3309	Total_Formal_Charge	0
16949	Undefined_Atom_Stereo_Count	6
13577903	Hydrogen_Bond_Donor_Count	2
46916401	Hydrogen_Bond_Acceptor_Count	11
12475877	Mono_Isotopic_Weight	120.02450067
179212	Defined_Atom_Stereo_Count	0
116864150	Non-hydrogen_Atom_Count	8
919	Non-hydrogen_Atom_Count	16
7237253	Non-hydrogen_Atom_Count	27
9244	Exact_Mass	84.057514874
302	Hydrogen_Bond_Acceptor_Count	5
20623556	Defined_Atom_Stereo_Count	0
82593534	Undefined_Atom_Stereo_Count	0
3015009	Exact_Mass	34.99554627
54316	Tautomer_Count	1
7409	Exact_Mass	122.073164938
11497983	Mono_Isotopic_Weight	587.20574689
132940892	Exact_Mass	555.27517176
5288173	Structure_Complexity	598
29348	Structure_Complexity	264
109291	Tautomer_Count	1
688303	Structure_Complexity	388
118176200	Defined_Bond_Stereo_Count	0
13311642	Mono_Isotopic_Weight	102.068079557
65834	Undefined_Atom_Stereo_Count	0
23690996	Non-hydrogen_Atom_Count	8
22990584	Defined_Bond_Stereo_Count	0
164702	Molecular_Weight	100.12
155895288	XLogP3-AA	0
31195	Structure_Complexity	206
101942760	Rotatable_Bond_Count	4
8333	Hydrogen_Bond_Acceptor_Count	2
101656013	TPSA	170
3034278	Defined_Bond_Stereo_Count	0
166144333	Defined_Bond_Stereo_Count	0
1490119	Rotatable_Bond_Count	3
6451143	TPSA	131
12839329	Defined_Atom_Stereo_Count	0
186183	Undefined_Bond_Stereo_Count	0
104416	Tautomer_Count	1
114751	Tautomer_Count	3
61124202	Molecular_Weight	113.12
11949285	Tautomer_Count	1
13704283	Total_Formal_Charge	0
56673551	Defined_Bond_Stereo_Count	0
5459910	Mono_Isotopic_Weight	297.13649347
21492261	Covalent_Unit_Count	1
11656753	Defined_Atom_Stereo_Count	0
22717351	Rotatable_Bond_Count	2
6767	Mono_Isotopic_Weight	350.15180918
24900424	Hydrogen_Bond_Donor_Count	5
5352461	Hydrogen_Bond_Acceptor_Count	2
23679632	Hydrogen_Bond_Donor_Count	1
22274936	Defined_Bond_Stereo_Count	0
55305	Tautomer_Count	1
4476692	Total_Formal_Charge	0
21353681	Molecular_Weight	85.15
53977611	Exact_Mass	102.068079557
705935	Undefined_Bond_Stereo_Count	0
667450	Undefined_Bond_Stereo_Count	0
7826	Mono_Isotopic_Weight	144.115029749
16754849	Undefined_Bond_Stereo_Count	0
82711397	Undefined_Bond_Stereo_Count	0
61126	Covalent_Unit_Count	1
9863	Covalent_Unit_Count	1
11870469	Mono_Isotopic_Weight	304.15488318
15450	Total_Formal_Charge	0
97268	Hydrogen_Bond_Acceptor_Count	4
6553	Molecular_Weight	201.89
24950594	Undefined_Bond_Stereo_Count	0
123867503	Total_Formal_Charge	0
12755803	Structure_Complexity	85.6
65957	Defined_Bond_Stereo_Count	0
70487	Hydrogen_Bond_Donor_Count	4
3037161	Rotatable_Bond_Count	5
11589453	Undefined_Atom_Stereo_Count	1
6997338	Defined_Bond_Stereo_Count	0
40550	Covalent_Unit_Count	1
2130	Structure_Complexity	144
71583157	XLogP3-AA	4
71873	Undefined_Bond_Stereo_Count	0
53555	Non-hydrogen_Atom_Count	21
93706	Undefined_Bond_Stereo_Count	0
65601	Total_Formal_Charge	0
12304109	Hydrogen_Bond_Acceptor_Count	2
9806063	Rotatable_Bond_Count	0
15273943	Covalent_Unit_Count	1
85252	Molecular_Weight	160.29
61585	XLogP3-AA	5
11170991	Hydrogen_Bond_Donor_Count	2
5459811	Undefined_Atom_Stereo_Count	0
40496	XLogP3	6.8
97860	Exact_Mass	254.094294304
11083832	Covalent_Unit_Count	1
13738257	Structure_Complexity	141
36457	TPSA	182
55288198	Rotatable_Bond_Count	0
99560	Hydrogen_Bond_Acceptor_Count	4
75430	Rotatable_Bond_Count	3
8594	Defined_Bond_Stereo_Count	0
62858	Defined_Bond_Stereo_Count	0
80466	Covalent_Unit_Count	1
151173	Undefined_Bond_Stereo_Count	0
96821	Total_Formal_Charge	0
23866	Hydrogen_Bond_Acceptor_Count	0
5702628	Rotatable_Bond_Count	2
5780	Structure_Complexity	105
1584822	Molecular_Weight	319.4
521440	Total_Formal_Charge	0
74080	TPSA	47.6
161830	Non-hydrogen_Atom_Count	10
18868	Undefined_Atom_Stereo_Count	0
10702	Isotope_Atom_Count	0
668081	XLogP3-AA	3.7
70103	Total_Formal_Charge	0
8657	Mono_Isotopic_Weight	134.109550447
543879	XLogP3-AA	1.4
12084878	Exact_Mass	102.068079557
98655	TPSA	43.4
76980	Defined_Atom_Stereo_Count	0
11569158	Exact_Mass	477.1567673
12701401	Exact_Mass	112.088815002
6432095	Exact_Mass	31.981587030
642799	Undefined_Atom_Stereo_Count	0
60196321	Mono_Isotopic_Weight	388.1917559
2122	Non-hydrogen_Atom_Count	22
141319360	Undefined_Atom_Stereo_Count	0
54686261	Molecular_Weight	386.4
57750343	Isotope_Atom_Count	0
12769779	Exact_Mass	127.06088375
9552079	Isotope_Atom_Count	0
11072675	Isotope_Atom_Count	0
10558	Undefined_Atom_Stereo_Count	0
12763	Hydrogen_Bond_Acceptor_Count	0
222865	Total_Formal_Charge	0
538774	Defined_Atom_Stereo_Count	0
13265779	Non-hydrogen_Atom_Count	7
49806720	Non-hydrogen_Atom_Count	36
31762	Rotatable_Bond_Count	1
365938	Molecular_Weight	385.8
12309467	Non-hydrogen_Atom_Count	19
1050	Total_Formal_Charge	0
20980871	Defined_Bond_Stereo_Count	0
53993017	Undefined_Bond_Stereo_Count	0
5288033	Defined_Bond_Stereo_Count	0
17912027	Non-hydrogen_Atom_Count	7
12059918	TPSA	0
135476770	Structure_Complexity	437
44400351	Structure_Complexity	410
72015	Mono_Isotopic_Weight	339.12527733
31143	Mono_Isotopic_Weight	238.13174244
16005262	Isotope_Atom_Count	0
65052	Mono_Isotopic_Weight	137.047678466
10614	Tautomer_Count	1
135565940	TPSA	66.8
123801117	Exact_Mass	110.109550447
95209	Molecular_Weight	181.26
6435808	Defined_Bond_Stereo_Count	1
543123	Undefined_Atom_Stereo_Count	0
11335	Hydrogen_Bond_Acceptor_Count	1
56955070	Molecular_Weight	368.4
85829	Defined_Bond_Stereo_Count	0
975620	TPSA	24.9
15197399	Defined_Atom_Stereo_Count	0
54602908	Total_Formal_Charge	0
56673690	Structure_Complexity	742
72187524	Covalent_Unit_Count	3
88279	Undefined_Bond_Stereo_Count	0
5783	Non-hydrogen_Atom_Count	12
9897	XLogP3-AA	1
21942008	Undefined_Atom_Stereo_Count	0
11116013	Isotope_Atom_Count	0
146170507	Undefined_Atom_Stereo_Count	0
119086017	Non-hydrogen_Atom_Count	8
118701745	Structure_Complexity	1440
160722	Covalent_Unit_Count	1
45085069	Hydrogen_Bond_Donor_Count	0
6951129	Defined_Bond_Stereo_Count	0
792027	Hydrogen_Bond_Donor_Count	1
57061642	Molecular_Weight	103.08
20453897	Undefined_Atom_Stereo_Count	0
189562	Covalent_Unit_Count	1
76207	Structure_Complexity	164
53885557	Rotatable_Bond_Count	2
59347	Hydrogen_Bond_Acceptor_Count	2
236702	Total_Formal_Charge	0
6441068	Hydrogen_Bond_Donor_Count	0
466151	Total_Formal_Charge	0
8692	XLogP3	0.2
71113	Rotatable_Bond_Count	5
9195	Undefined_Bond_Stereo_Count	0
890907	Hydrogen_Bond_Donor_Count	1
21487318	Isotope_Atom_Count	0
11423563	TPSA	32.3
10507011	Undefined_Bond_Stereo_Count	0
69070	Undefined_Bond_Stereo_Count	0
79642	Isotope_Atom_Count	0
9275	Total_Formal_Charge	0
32052	Rotatable_Bond_Count	2
23729877	Defined_Bond_Stereo_Count	0
44143311	Structure_Complexity	576
93740	Non-hydrogen_Atom_Count	21
5284507	Covalent_Unit_Count	1
1669	Tautomer_Count	5
67004	Total_Formal_Charge	0
13715986	Total_Formal_Charge	0
2583694	Rotatable_Bond_Count	4
840853	Non-hydrogen_Atom_Count	13
12393928	XLogP3-AA	1.3
123861	Defined_Bond_Stereo_Count	0
31772	Defined_Atom_Stereo_Count	0
543855	Hydrogen_Bond_Acceptor_Count	2
70962	Structure_Complexity	149
129846869	Defined_Bond_Stereo_Count	0
45280821	Covalent_Unit_Count	1
92366	Defined_Atom_Stereo_Count	1
114506	Rotatable_Bond_Count	2
222199	TPSA	36.9
54014222	Covalent_Unit_Count	1
11263727	Isotope_Atom_Count	0
129800133	Non-hydrogen_Atom_Count	7
96301	Defined_Bond_Stereo_Count	0
75786	Exact_Mass	224.177630004
69019	Isotope_Atom_Count	0
36094	Covalent_Unit_Count	2
31260	Molecular_Weight	88.15
67528035	Undefined_Atom_Stereo_Count	0
20239	Structure_Complexity	103
104805	Hydrogen_Bond_Acceptor_Count	6
7684	Undefined_Atom_Stereo_Count	0
23671691	Isotope_Atom_Count	0
12865500	Exact_Mass	116.083729621
51948	Exact_Mass	297.18143228
123190012	Hydrogen_Bond_Donor_Count	0
13032471	Covalent_Unit_Count	1
11148955	Hydrogen_Bond_Donor_Count	0
5102582	Total_Formal_Charge	1
97627066	Covalent_Unit_Count	1
11638	Tautomer_Count	1
10111264	Hydrogen_Bond_Acceptor_Count	5
6917976	Molecular_Weight	1079.3
71300726	Non-hydrogen_Atom_Count	225
13888	Covalent_Unit_Count	1
3647458	TPSA	41.1
82145	Hydrogen_Bond_Acceptor_Count	2
10486	Rotatable_Bond_Count	0
5280373	Total_Formal_Charge	0
60196260	Exact_Mass	305.18383758
101237041	Hydrogen_Bond_Donor_Count	4
18522786	Rotatable_Bond_Count	1
72474	Structure_Complexity	636
91434	Hydrogen_Bond_Donor_Count	4
25242	Covalent_Unit_Count	1
87254	Hydrogen_Bond_Donor_Count	1
442072	Undefined_Bond_Stereo_Count	0
5288494	Defined_Atom_Stereo_Count	0
754780	TPSA	68.5
85826247	Exact_Mass	114.068079557
2735107	Defined_Atom_Stereo_Count	0
23665772	Undefined_Atom_Stereo_Count	2
31714	Structure_Complexity	740
3655	Hydrogen_Bond_Donor_Count	2
19094	Isotope_Atom_Count	0
11556910	TPSA	91.2
197006	Undefined_Bond_Stereo_Count	0
12995	Undefined_Atom_Stereo_Count	0
16681432	Structure_Complexity	1850
73441	Covalent_Unit_Count	1
688297	Mono_Isotopic_Weight	215.95344
10727124	Undefined_Bond_Stereo_Count	0
66708587	Covalent_Unit_Count	1
64624	Tautomer_Count	1
10153998	Defined_Bond_Stereo_Count	0
19966769	Isotope_Atom_Count	0
23403	Molecular_Weight	294.5
87501539	Exact_Mass	107.037113783
86287410	Molecular_Weight	315.4
10833	Total_Formal_Charge	0
66110	Hydrogen_Bond_Donor_Count	1
71743843	Defined_Bond_Stereo_Count	0
642781	Hydrogen_Bond_Donor_Count	0
65746	Hydrogen_Bond_Acceptor_Count	2
7504	Covalent_Unit_Count	1
1133320	Structure_Complexity	573
19594968	Structure_Complexity	31.9
2846928	Exact_Mass	386.22966
123966800	Molecular_Weight	111.10
70403801	Structure_Complexity	260
149026	Structure_Complexity	152
54585642	Non-hydrogen_Atom_Count	24
11556910	Rotatable_Bond_Count	5
20203832	Covalent_Unit_Count	1
44395117	Non-hydrogen_Atom_Count	31
70695705	Molecular_Weight	477.5
44260118	Covalent_Unit_Count	1
71541292	TPSA	45.4
644006	Undefined_Atom_Stereo_Count	0
6438712	Exact_Mass	290.15180918
62155	Defined_Atom_Stereo_Count	0
21894213	TPSA	38.8
521938	Defined_Bond_Stereo_Count	0
67648	Non-hydrogen_Atom_Count	22
123512955	Hydrogen_Bond_Donor_Count	1
85979	Defined_Bond_Stereo_Count	0
3219	Undefined_Bond_Stereo_Count	0
96389	Covalent_Unit_Count	1
10658	Non-hydrogen_Atom_Count	14
10176127	Defined_Atom_Stereo_Count	0
67698	Molecular_Weight	180.10
73631	Covalent_Unit_Count	1
20312802	Exact_Mass	106.078250319
8407	XLogP3	3.7
14552708	Defined_Atom_Stereo_Count	0
17754772	Exact_Mass	306.15929460
12359612	Undefined_Bond_Stereo_Count	0
234808	Covalent_Unit_Count	1
16050551	Exact_Mass	367.22597718
54023641	TPSA	37.3
15365	Isotope_Atom_Count	0
121599	Molecular_Weight	100.12
75828	TPSA	17.1
825877	Rotatable_Bond_Count	2
15942892	Non-hydrogen_Atom_Count	22
78225453	TPSA	95.5
636364	Molecular_Weight	549.6
9528	Tautomer_Count	1
108092	Rotatable_Bond_Count	8
57568	Exact_Mass	211.157228913
4748	Exact_Mass	403.1485113
4809	XLogP3-AA	2.8
10448	Structure_Complexity	23.5
61585	Undefined_Atom_Stereo_Count	0
381117	TPSA	112
5459319	Defined_Atom_Stereo_Count	3
9903853	Undefined_Atom_Stereo_Count	0
87161809	TPSA	49.8
80715	Covalent_Unit_Count	1
35384	Mono_Isotopic_Weight	331.0975211
11237963	Exact_Mass	535.38862582
3476	Isotope_Atom_Count	0
16665100	Rotatable_Bond_Count	11
1791111	Defined_Bond_Stereo_Count	0
11105314	Mono_Isotopic_Weight	97.052763847
70837	Molecular_Weight	230.22
754219	Mono_Isotopic_Weight	304.19509159
68653619	Undefined_Bond_Stereo_Count	0
19235	Covalent_Unit_Count	1
1364	Hydrogen_Bond_Acceptor_Count	8
53861228	TPSA	9.2
11497646	Isotope_Atom_Count	0
90478690	Isotope_Atom_Count	0
846942	Molecular_Weight	243.28
81421	Structure_Complexity	318
3125	Molecular_Weight	195.21
21187532	Defined_Atom_Stereo_Count	0
595230	Non-hydrogen_Atom_Count	12
16305	Molecular_Weight	328.00
41787	Undefined_Bond_Stereo_Count	0
104610	Rotatable_Bond_Count	3
64718	TPSA	104
3336	Structure_Complexity	303
3045400	XLogP3-AA	3
19367743	Isotope_Atom_Count	0
3350	Hydrogen_Bond_Donor_Count	2
55291303	Covalent_Unit_Count	1
83803459	Non-hydrogen_Atom_Count	8
2280	Rotatable_Bond_Count	4
61634	Undefined_Bond_Stereo_Count	0
53425533	Covalent_Unit_Count	1
133478	Total_Formal_Charge	0
117188816	TPSA	64.1
51683431	Exact_Mass	342.11621151
8005	Non-hydrogen_Atom_Count	5
69885	Non-hydrogen_Atom_Count	13
84647654	Non-hydrogen_Atom_Count	8
11402147	Rotatable_Bond_Count	5
133268468	Mono_Isotopic_Weight	419.34787550
6509724	Defined_Bond_Stereo_Count	1
5365976	Rotatable_Bond_Count	5
91820142	Hydrogen_Bond_Acceptor_Count	13
6806	Molecular_Weight	556.86
5487972	Covalent_Unit_Count	1
308140	Mono_Isotopic_Weight	374.07903816
5281077	Hydrogen_Bond_Donor_Count	1
57887199	Defined_Atom_Stereo_Count	0
6918335	Rotatable_Bond_Count	11
21676144	Hydrogen_Bond_Donor_Count	1
46073	XLogP3-AA	1
252281	Total_Formal_Charge	0
3064425	Rotatable_Bond_Count	5
135398003	Undefined_Bond_Stereo_Count	0
6943	Defined_Atom_Stereo_Count	0
3208	Isotope_Atom_Count	0
135399235	Non-hydrogen_Atom_Count	20
7667	Rotatable_Bond_Count	1
8133	TPSA	29.5
69421	Total_Formal_Charge	0
26442	Molecular_Weight	339.72
46205408	TPSA	199
3243927	Total_Formal_Charge	0
25323014	Structure_Complexity	254
139291707	Mono_Isotopic_Weight	1137.4964
5460221	XLogP3-AA	7.9
9934492	Hydrogen_Bond_Acceptor_Count	13
8512	Molecular_Weight	224.21
60932	XLogP3-AA	4.6
773	Mono_Isotopic_Weight	155.069476538
93843	XLogP3-AA	5
17457	Hydrogen_Bond_Donor_Count	0
132274085	Exact_Mass	834.54530517
9954739	Undefined_Bond_Stereo_Count	0
86209	Isotope_Atom_Count	0
17171354	TPSA	41.1
12268621	Mono_Isotopic_Weight	113.047678466
74990	Covalent_Unit_Count	2
121494073	Rotatable_Bond_Count	31
18542136	Structure_Complexity	488
65595	Isotope_Atom_Count	0
15517313	Exact_Mass	689.64509729
1995	Hydrogen_Bond_Donor_Count	2
2734040	Hydrogen_Bond_Acceptor_Count	2
71377454	Defined_Bond_Stereo_Count	0
5354076	Hydrogen_Bond_Acceptor_Count	2
56556	Rotatable_Bond_Count	6
71716733	TPSA	33.2
5360349	Non-hydrogen_Atom_Count	11
176873	Non-hydrogen_Atom_Count	42
11164	Structure_Complexity	35.9
6057875	Hydrogen_Bond_Acceptor_Count	14
123628273	Covalent_Unit_Count	1
439587	Undefined_Atom_Stereo_Count	0
50964	TPSA	27.7
135430996	Mono_Isotopic_Weight	565.24712380
38221	TPSA	144
70683717	Non-hydrogen_Atom_Count	33
60207207	Hydrogen_Bond_Acceptor_Count	2
21911205	Defined_Atom_Stereo_Count	0
919792	Isotope_Atom_Count	0
5367692	TPSA	26.3
47472	Undefined_Atom_Stereo_Count	1
21581827	Defined_Atom_Stereo_Count	4
15950005	Molecular_Weight	389.5
86289926	Exact_Mass	989.56294335
719704	Rotatable_Bond_Count	4
12040	Hydrogen_Bond_Donor_Count	1
16007393	Tautomer_Count	34
10554	Mono_Isotopic_Weight	92.0392780
118984355	Undefined_Bond_Stereo_Count	0
21450	Defined_Atom_Stereo_Count	0
130285	Undefined_Bond_Stereo_Count	0
24663	Undefined_Bond_Stereo_Count	0
25200541	Exact_Mass	209.95655405
14897272	Total_Formal_Charge	0
115098	Undefined_Atom_Stereo_Count	0
159603	Exact_Mass	314.17427596
11210173	Isotope_Atom_Count	0
154461366	Mono_Isotopic_Weight	107.037113783
20188	Molecular_Weight	341.7
14283	Covalent_Unit_Count	1
11633167	Rotatable_Bond_Count	7
64971	Molecular_Weight	456.7
24833843	Hydrogen_Bond_Acceptor_Count	9
8169	Defined_Bond_Stereo_Count	0
347476	Covalent_Unit_Count	1
7786	Isotope_Atom_Count	0
548	Defined_Atom_Stereo_Count	0
10219396	TPSA	26
40521	Exact_Mass	335.0724492
5241	TPSA	52.9
6220	Structure_Complexity	712
122639	Structure_Complexity	1610
22353206	XLogP3-AA	0
106	Non-hydrogen_Atom_Count	11
12348	Hydrogen_Bond_Acceptor_Count	2
448505	Isotope_Atom_Count	0
13762	Structure_Complexity	216
55246	TPSA	87.9
16218742	Rotatable_Bond_Count	37
54195578	XLogP3-AA	2.7
92043261	Defined_Atom_Stereo_Count	0
25164108	Molecular_Weight	273.76
53324426	Total_Formal_Charge	0
9708	Defined_Bond_Stereo_Count	0
6386307	Molecular_Weight	354.5
8225	Tautomer_Count	1
2724387	Hydrogen_Bond_Acceptor_Count	6
12874682	Defined_Bond_Stereo_Count	0
17816	Defined_Bond_Stereo_Count	0
497803	Structure_Complexity	572
22611003	Hydrogen_Bond_Acceptor_Count	4
56603728	Undefined_Atom_Stereo_Count	1
808	Covalent_Unit_Count	1
91525	Structure_Complexity	1140
3388710	Isotope_Atom_Count	0
71272	Mono_Isotopic_Weight	392.02910
24393	Defined_Atom_Stereo_Count	0
5053	Rotatable_Bond_Count	7
15568	Defined_Bond_Stereo_Count	0
5154	Structure_Complexity	530
6432744	Molecular_Weight	414.7
5281098	Defined_Bond_Stereo_Count	1
155803776	Hydrogen_Bond_Acceptor_Count	6
197581	Undefined_Bond_Stereo_Count	0
40826	Covalent_Unit_Count	1
14018	Undefined_Atom_Stereo_Count	0
51671	Mono_Isotopic_Weight	413.18854629
5743186	Molecular_Weight	703.8
19820834	Rotatable_Bond_Count	1
74888	Mono_Isotopic_Weight	473.91501
18936143	Defined_Bond_Stereo_Count	0
12180	Non-hydrogen_Atom_Count	7
440141	Undefined_Bond_Stereo_Count	0
8223	TPSA	118
45120389	Tautomer_Count	1
137699683	Undefined_Bond_Stereo_Count	0
20379467	Covalent_Unit_Count	1
271488	Hydrogen_Bond_Acceptor_Count	1
13462200	TPSA	20.2
1597	Molecular_Weight	554.8
143888994	Isotope_Atom_Count	0
312145	Undefined_Bond_Stereo_Count	0
79089	Tautomer_Count	1
77941	Molecular_Weight	340.5
71450115	Mono_Isotopic_Weight	583.16818
10245972	Molecular_Weight	328.5
71305058	Undefined_Atom_Stereo_Count	0
22643	TPSA	35.1
135566069	Non-hydrogen_Atom_Count	108
17875436	Hydrogen_Bond_Acceptor_Count	2
21037713	Isotope_Atom_Count	0
45857	Defined_Atom_Stereo_Count	0
77918	Structure_Complexity	130
57486971	Undefined_Atom_Stereo_Count	0
12938	Rotatable_Bond_Count	3
547738	Undefined_Atom_Stereo_Count	1
3039	Structure_Complexity	181
722533	Defined_Bond_Stereo_Count	0
21221940	Total_Formal_Charge	0
6420019	Hydrogen_Bond_Acceptor_Count	2
17348	Total_Formal_Charge	0
535813	Rotatable_Bond_Count	2
18432427	Undefined_Atom_Stereo_Count	0
54353190	Undefined_Bond_Stereo_Count	0
25102	Hydrogen_Bond_Donor_Count	4
44352909	Defined_Bond_Stereo_Count	0
223441	Hydrogen_Bond_Donor_Count	1
6688	Covalent_Unit_Count	1
52905	Covalent_Unit_Count	2
18424867	Exact_Mass	101.022526347
203433	Exact_Mass	281.06228316
137264	Defined_Bond_Stereo_Count	0
19002911	Undefined_Atom_Stereo_Count	0
68741938	Rotatable_Bond_Count	5
32052	Total_Formal_Charge	0
146675212	Non-hydrogen_Atom_Count	82
101254313	Covalent_Unit_Count	1
167180	Undefined_Bond_Stereo_Count	0
77579	Defined_Atom_Stereo_Count	0
12870589	Isotope_Atom_Count	0
56845780	Defined_Atom_Stereo_Count	4
56965681	Undefined_Bond_Stereo_Count	0
8722	Undefined_Bond_Stereo_Count	0
130147045	Covalent_Unit_Count	1
22833502	Total_Formal_Charge	0
24901416	XLogP3-AA	3.4
3037082	XLogP3	3.1
1069	Hydrogen_Bond_Acceptor_Count	2
5205	Isotope_Atom_Count	0
548835	Undefined_Atom_Stereo_Count	0
7386	Non-hydrogen_Atom_Count	13
24888274	Hydrogen_Bond_Acceptor_Count	3
11061	Structure_Complexity	313
22725651	Rotatable_Bond_Count	0
23207406	Undefined_Bond_Stereo_Count	0
24864821	Mono_Isotopic_Weight	383.13822480
6329567	Rotatable_Bond_Count	5
19029677	Isotope_Atom_Count	0
519666	Structure_Complexity	135
13359	Undefined_Bond_Stereo_Count	0
44272237	Isotope_Atom_Count	0
15938972	Structure_Complexity	1270
27212	TPSA	46.5
444008	Exact_Mass	312.208930132
518924	Undefined_Bond_Stereo_Count	0
12580406	Undefined_Atom_Stereo_Count	0
21654475	Molecular_Weight	161.54
49985	Molecular_Weight	211.17
10686	Hydrogen_Bond_Acceptor_Count	0
52914324	Isotope_Atom_Count	0
10853	Structure_Complexity	130
13516401	Undefined_Bond_Stereo_Count	0
2413	Exact_Mass	281.08743528
765	Mono_Isotopic_Weight	283.09166853
7403	XLogP3	3.9
92211533	XLogP3-AA	2.6
7848	Exact_Mass	76.03467143
13615995	Mono_Isotopic_Weight	204.13615911
9939627	Total_Formal_Charge	0
118142807	Mono_Isotopic_Weight	126.042927438
21218701	Undefined_Atom_Stereo_Count	1
135398679	Structure_Complexity	250
40320	Defined_Bond_Stereo_Count	0
712377	Exact_Mass	151.00918496
51399572	Undefined_Bond_Stereo_Count	0
13267937	TPSA	96.2
135761165	Undefined_Atom_Stereo_Count	0
57393918	Exact_Mass	389.9996542
54393203	Undefined_Atom_Stereo_Count	0
134715568	Undefined_Bond_Stereo_Count	0
139073990	Exact_Mass	284.16237386
8561	Isotope_Atom_Count	0
115000	Covalent_Unit_Count	2
411312	Undefined_Bond_Stereo_Count	0
138950	Hydrogen_Bond_Donor_Count	0
18710462	Hydrogen_Bond_Acceptor_Count	0
22477643	Hydrogen_Bond_Donor_Count	1
63786	Isotope_Atom_Count	0
78220	Hydrogen_Bond_Donor_Count	1
2159	Molecular_Weight	369.5
8370	Defined_Bond_Stereo_Count	0
129148	Rotatable_Bond_Count	23
83756	Hydrogen_Bond_Acceptor_Count	4
398655	Exact_Mass	431.0520275
430795	TPSA	13
73887162	Total_Formal_Charge	0
120269	Isotope_Atom_Count	0
45484851	XLogP3-AA	5.1
68651	Isotope_Atom_Count	0
57402653	Non-hydrogen_Atom_Count	26
13150	Rotatable_Bond_Count	2
9817917	Covalent_Unit_Count	1
8920	Covalent_Unit_Count	1
24451	TPSA	130
70789955	Molecular_Weight	406.9
26955	Exact_Mass	192.151415257
10935908	Molecular_Weight	313.4
11829397	TPSA	25.1
23464986	Total_Formal_Charge	0
12395962	Undefined_Atom_Stereo_Count	0
9971	Mono_Isotopic_Weight	155.03825660
151245	XLogP3-AA	3
66711	Mono_Isotopic_Weight	238.134422523
692159	Molecular_Weight	338.2
69401251	Undefined_Bond_Stereo_Count	0
250629	Undefined_Atom_Stereo_Count	0
15570483	Hydrogen_Bond_Acceptor_Count	0
15365	Tautomer_Count	1
18622350	Hydrogen_Bond_Donor_Count	0
130845868	Isotope_Atom_Count	0
160538	Non-hydrogen_Atom_Count	10
64975	Total_Formal_Charge	0
90988075	Covalent_Unit_Count	1
13658	TPSA	46.5
4909	Mono_Isotopic_Weight	218.105527694
31370	Isotope_Atom_Count	0
8550	Total_Formal_Charge	0
91250151	Non-hydrogen_Atom_Count	10
20784398	Rotatable_Bond_Count	2
62662	Undefined_Atom_Stereo_Count	0
31191	Hydrogen_Bond_Donor_Count	1
963699	Total_Formal_Charge	0
102004585	Defined_Atom_Stereo_Count	3
136153	Mono_Isotopic_Weight	68.062600255
447407	Exact_Mass	228.11100700
21910000	Total_Formal_Charge	0
40467346	Total_Formal_Charge	1
18615953	Mono_Isotopic_Weight	116.058577502
13327309	Hydrogen_Bond_Acceptor_Count	2
5282219	Hydrogen_Bond_Acceptor_Count	6
656838	Hydrogen_Bond_Donor_Count	5
166918	Hydrogen_Bond_Donor_Count	6
16623	TPSA	138
649852	Rotatable_Bond_Count	6
33503	XLogP3-AA	5.3
11666	Defined_Atom_Stereo_Count	0
15034633	Hydrogen_Bond_Donor_Count	0
130122746	TPSA	29.5
435459	Undefined_Atom_Stereo_Count	6
10180799	Non-hydrogen_Atom_Count	30
9319	Hydrogen_Bond_Donor_Count	0
46203882	Defined_Atom_Stereo_Count	0
53627567	Defined_Atom_Stereo_Count	0
11040632	Hydrogen_Bond_Donor_Count	0
364849	Total_Formal_Charge	0
49855364	Mono_Isotopic_Weight	567.23041111
14499	Non-hydrogen_Atom_Count	7
135444779	Non-hydrogen_Atom_Count	32
34415	Covalent_Unit_Count	1
78014	Mono_Isotopic_Weight	109.063997236
176166	Defined_Atom_Stereo_Count	0
5211	Non-hydrogen_Atom_Count	26
2280	TPSA	178
122224053	Hydrogen_Bond_Acceptor_Count	2
146474223	Covalent_Unit_Count	1
22024915	Molecular_Weight	391.4
17748	Total_Formal_Charge	0
12947024	Mono_Isotopic_Weight	331.99605
5373729	Tautomer_Count	1
137606	Defined_Bond_Stereo_Count	0
37521	Rotatable_Bond_Count	4
59401	Undefined_Atom_Stereo_Count	0
20697439	Total_Formal_Charge	0
545093	Exact_Mass	86.073164938
9915813	Defined_Bond_Stereo_Count	0
88580088	Hydrogen_Bond_Donor_Count	0
5370664	XLogP3	1
5459124	Isotope_Atom_Count	0
16454	Defined_Atom_Stereo_Count	0
159283	Isotope_Atom_Count	0
10986146	Structure_Complexity	2
125556	Total_Formal_Charge	0
2624	Covalent_Unit_Count	1
15686	TPSA	43.4
156391	Mono_Isotopic_Weight	230.094294304
126963444	Undefined_Atom_Stereo_Count	0
8419	Undefined_Atom_Stereo_Count	0
13639659	Rotatable_Bond_Count	0
11062312	Molecular_Weight	98.14
688378	Rotatable_Bond_Count	4
59347	Exact_Mass	241.0869564
6427110	XLogP3-AA	4.6
3927	Structure_Complexity	511
234839	Undefined_Bond_Stereo_Count	0
57864687	Undefined_Bond_Stereo_Count	0
131162679	Undefined_Atom_Stereo_Count	2
46931204	Non-hydrogen_Atom_Count	29
152306	Total_Formal_Charge	0
9892	Mono_Isotopic_Weight	130.02416388
28852	Covalent_Unit_Count	1
838868	Undefined_Bond_Stereo_Count	0
821	Undefined_Atom_Stereo_Count	24
3823887	TPSA	154
57055230	Non-hydrogen_Atom_Count	7
575893	TPSA	59.3
123698	Molecular_Weight	295.8
12508258	Total_Formal_Charge	0
450503	Covalent_Unit_Count	1
531	Structure_Complexity	1450
4382	Non-hydrogen_Atom_Count	12
7873	Molecular_Weight	290.19
44260118	Molecular_Weight	822.9
27383	Covalent_Unit_Count	1
12896295	Defined_Bond_Stereo_Count	0
694728	Defined_Atom_Stereo_Count	0
628949	Mono_Isotopic_Weight	316.276615768
53917786	Molecular_Weight	113.08
423438	Isotope_Atom_Count	0
68566969	Hydrogen_Bond_Acceptor_Count	1
3643	Structure_Complexity	908
45139106	TPSA	153
3700118	Isotope_Atom_Count	0
208916	Mono_Isotopic_Weight	189.151749610
5208	Total_Formal_Charge	0
215932	TPSA	87.8
4456	TPSA	29.5
38382	Defined_Atom_Stereo_Count	0
44338763	Undefined_Bond_Stereo_Count	0
38883	Exact_Mass	116.083729621
837	Structure_Complexity	405
9828356	Undefined_Bond_Stereo_Count	0
44145008	Structure_Complexity	36.4
443100	Exact_Mass	453.1700346
22829	Structure_Complexity	593
11591222	Hydrogen_Bond_Acceptor_Count	8
5284530	TPSA	225
8764	Rotatable_Bond_Count	2
84072037	Defined_Atom_Stereo_Count	0
20058	Structure_Complexity	660
24182914	Hydrogen_Bond_Donor_Count	0
45488110	Structure_Complexity	722
216385	Structure_Complexity	467
4033	Hydrogen_Bond_Acceptor_Count	1
59330719	Defined_Atom_Stereo_Count	0
6971070	Undefined_Bond_Stereo_Count	0
74190	Hydrogen_Bond_Acceptor_Count	4
175534	Mono_Isotopic_Weight	319.1702921
15110004	Exact_Mass	114.068079557
35784	TPSA	20.2
21789	XLogP3-AA	1.2
3769881	Rotatable_Bond_Count	3
285657	Mono_Isotopic_Weight	112.03851076
44591583	Total_Formal_Charge	0
128423	Total_Formal_Charge	0
33645	Tautomer_Count	1
7870	XLogP3-AA	0.3
10761920	Undefined_Atom_Stereo_Count	1
25181472	Total_Formal_Charge	0
9795278	Undefined_Bond_Stereo_Count	0
47825	Defined_Atom_Stereo_Count	0
2762834	Exact_Mass	113.027691913
6854	Non-hydrogen_Atom_Count	13
3381	Defined_Bond_Stereo_Count	0
12086784	Defined_Bond_Stereo_Count	2
5320621	Isotope_Atom_Count	0
71357579	Isotope_Atom_Count	0
5311064	Hydrogen_Bond_Acceptor_Count	5
43986	TPSA	26.8
11243457	Covalent_Unit_Count	2
7019	Non-hydrogen_Atom_Count	15
58158	Tautomer_Count	1
136362	Mono_Isotopic_Weight	88.100048391
24883445	Rotatable_Bond_Count	0
138113391	Defined_Atom_Stereo_Count	7
164094748	Non-hydrogen_Atom_Count	8
11804893	Undefined_Atom_Stereo_Count	0
8748	Hydrogen_Bond_Acceptor_Count	1
73101855	Isotope_Atom_Count	0
20259182	Isotope_Atom_Count	0
51397515	Mono_Isotopic_Weight	545.09131438
123212370	TPSA	0
56963011	Mono_Isotopic_Weight	608.18345
44925	Exact_Mass	341.1995809
105037	Molecular_Weight	153.18
160419	Non-hydrogen_Atom_Count	8
54684337	TPSA	182
5311412	Non-hydrogen_Atom_Count	27
5364711	XLogP3-AA	6.9
165571	Undefined_Atom_Stereo_Count	0
95978	TPSA	26.3
107327	Isotope_Atom_Count	0
999	Hydrogen_Bond_Donor_Count	1
100	Structure_Complexity	1240
123840	Isotope_Atom_Count	0
86380	Defined_Atom_Stereo_Count	0
55299073	Isotope_Atom_Count	0
13404	Mono_Isotopic_Weight	173.9639201
164705775	Molecular_Weight	342.30
12681848	Non-hydrogen_Atom_Count	21
5460797	Structure_Complexity	87.8
19789137	Mono_Isotopic_Weight	144.115029749
5288217	Covalent_Unit_Count	1
5360521	Exact_Mass	162.04629874
68890	Rotatable_Bond_Count	5
201382	Undefined_Bond_Stereo_Count	0
71584163	Rotatable_Bond_Count	5
854418	Total_Formal_Charge	0
23724526	Exact_Mass	383.10961
3058839	Hydrogen_Bond_Acceptor_Count	3
13545127	Defined_Atom_Stereo_Count	0
70383887	Rotatable_Bond_Count	0
5672	Exact_Mass	778.39416469
3140955	Total_Formal_Charge	0
12250944	Defined_Bond_Stereo_Count	0
19754146	Structure_Complexity	245
54303301	Structure_Complexity	70.1
73272	Hydrogen_Bond_Donor_Count	2
14784415	XLogP3-AA	0
98026	Undefined_Atom_Stereo_Count	2
11549	Total_Formal_Charge	0
25078015	Exact_Mass	1535.68521428
13351	Undefined_Bond_Stereo_Count	0
10953595	Defined_Bond_Stereo_Count	0
31013	Exact_Mass	225.13649347
657237	Non-hydrogen_Atom_Count	20
3575	Covalent_Unit_Count	1
145705715	Undefined_Bond_Stereo_Count	2
14180	Molecular_Weight	334.22
10953	Exact_Mass	100.052429494
17754007	Undefined_Bond_Stereo_Count	0
909	Undefined_Atom_Stereo_Count	1
10113	Covalent_Unit_Count	1
3266	Non-hydrogen_Atom_Count	24
11535810	Hydrogen_Bond_Acceptor_Count	1
142383	Rotatable_Bond_Count	1
20262	Total_Formal_Charge	0
61539	Hydrogen_Bond_Acceptor_Count	0
21242473	Non-hydrogen_Atom_Count	7
87474167	Defined_Bond_Stereo_Count	0
135	Rotatable_Bond_Count	1
2734167	Defined_Bond_Stereo_Count	0
3976	Total_Formal_Charge	0
62956	Undefined_Atom_Stereo_Count	0
11959	Mono_Isotopic_Weight	149.084063974
6456014	Mono_Isotopic_Weight	433.20015635
133687113	TPSA	62.3
2772	Rotatable_Bond_Count	10
560	Structure_Complexity	177
40308	Non-hydrogen_Atom_Count	10
71500036	Structure_Complexity	395
907	Hydrogen_Bond_Donor_Count	3
18178	Hydrogen_Bond_Acceptor_Count	0
10160238	Total_Formal_Charge	0
92810	Rotatable_Bond_Count	1
5282241	Hydrogen_Bond_Donor_Count	6
67989199	Mono_Isotopic_Weight	100.100048391
6717	Total_Formal_Charge	0
2063	Exact_Mass	184.063662883
9085	Hydrogen_Bond_Donor_Count	4
6652	Molecular_Weight	204.31
122235961	Undefined_Atom_Stereo_Count	2
14920524	XLogP3-AA	0.5
14020430	XLogP3-AA	0.4
67495	Exact_Mass	198.05032149
143716909	Exact_Mass	112.088815002
5777	Hydrogen_Bond_Donor_Count	0
53249491	Undefined_Bond_Stereo_Count	0
107926	Defined_Atom_Stereo_Count	1
254454	Covalent_Unit_Count	1
444360	Isotope_Atom_Count	0
20220682	Exact_Mass	116.083729621
443366	Undefined_Atom_Stereo_Count	1
90877284	Isotope_Atom_Count	0
89578803	Total_Formal_Charge	0
24397	Hydrogen_Bond_Donor_Count	2
969	Exact_Mass	773.17929631
20067437	Defined_Bond_Stereo_Count	0
51043	TPSA	0
10103118	Defined_Atom_Stereo_Count	0
21354354	Non-hydrogen_Atom_Count	8
520277	TPSA	9.2
3281	Defined_Bond_Stereo_Count	0
42076	XLogP3-AA	5.4
4454	Hydrogen_Bond_Donor_Count	13
21455617	Non-hydrogen_Atom_Count	7
58608	TPSA	35.6
36190	TPSA	21.7
18310	Mono_Isotopic_Weight	254.073164938
4385988	TPSA	118
2741326	Isotope_Atom_Count	0
70837736	Isotope_Atom_Count	0
125127453	Undefined_Atom_Stereo_Count	0
10606708	Hydrogen_Bond_Acceptor_Count	3
139073990	Structure_Complexity	415
53862531	Covalent_Unit_Count	1
446753	TPSA	109
24752	Hydrogen_Bond_Donor_Count	1
70235	Mono_Isotopic_Weight	98.073164938
78486	Undefined_Bond_Stereo_Count	0
16204478	Hydrogen_Bond_Acceptor_Count	5
70848	Undefined_Atom_Stereo_Count	0
69588	Undefined_Bond_Stereo_Count	0
1549097	Undefined_Bond_Stereo_Count	0
5289613	Total_Formal_Charge	0
12316	Tautomer_Count	1
11825335	Non-hydrogen_Atom_Count	27
9469	Hydrogen_Bond_Acceptor_Count	3
6458	Rotatable_Bond_Count	3
11263488	Hydrogen_Bond_Acceptor_Count	1
5460853	Mono_Isotopic_Weight	203.082052598
91063960	Undefined_Atom_Stereo_Count	0
25116191	Rotatable_Bond_Count	6
3478	Covalent_Unit_Count	1
31772	Defined_Bond_Stereo_Count	0
5462507	Non-hydrogen_Atom_Count	24
72566	Tautomer_Count	1
23247721	Undefined_Atom_Stereo_Count	0
108054	XLogP3-AA	1.2
706167	Molecular_Weight	325.69
9877343	Covalent_Unit_Count	1
11817188	Exact_Mass	234.198365449
213840	Hydrogen_Bond_Donor_Count	0
56463	Undefined_Atom_Stereo_Count	0
668649	Undefined_Atom_Stereo_Count	0
40855	Isotope_Atom_Count	0
117968974	Defined_Bond_Stereo_Count	0
12962854	Total_Formal_Charge	0
9841259	Molecular_Weight	348.5
8402	Exact_Mass	232.06703418
71386	Isotope_Atom_Count	0
6683	Undefined_Bond_Stereo_Count	0
86186	Defined_Bond_Stereo_Count	0
129626607	Mono_Isotopic_Weight	231.02697933
156963344	Hydrogen_Bond_Acceptor_Count	6
2900	Total_Formal_Charge	0
153684851	Rotatable_Bond_Count	2
31799	Undefined_Atom_Stereo_Count	1
7250	Molecular_Weight	121.18
381117	Non-hydrogen_Atom_Count	19
127382	Undefined_Atom_Stereo_Count	0
135448133	Undefined_Atom_Stereo_Count	9
25059	TPSA	66.9
8359	Molecular_Weight	163.13
10415	XLogP3-AA	2.8
13649426	Mono_Isotopic_Weight	248.1080262
14791281	Defined_Bond_Stereo_Count	0
71724	Hydrogen_Bond_Acceptor_Count	8
37888437	Isotope_Atom_Count	0
19001504	Hydrogen_Bond_Acceptor_Count	3
256539	Covalent_Unit_Count	1
135621753	Undefined_Bond_Stereo_Count	0
117736498	TPSA	13.1
71117	Molecular_Weight	346.4
9839190	XLogP3-AA	1.1
11547499	Undefined_Bond_Stereo_Count	0
129645691	Defined_Bond_Stereo_Count	0
21720139	Isotope_Atom_Count	0
82052	Undefined_Bond_Stereo_Count	0
521983	Structure_Complexity	93.5
83872174	TPSA	53.2
17473	Covalent_Unit_Count	1
2779183	Non-hydrogen_Atom_Count	11
166653	Structure_Complexity	0
24800211	Covalent_Unit_Count	2
13743295	Rotatable_Bond_Count	0
67247849	Defined_Atom_Stereo_Count	0
24978538	Defined_Bond_Stereo_Count	0
15559064	Isotope_Atom_Count	0
133268464	Isotope_Atom_Count	0
147020	TPSA	26.3
22027387	Undefined_Atom_Stereo_Count	0
54899	Defined_Bond_Stereo_Count	0
17587	Undefined_Bond_Stereo_Count	0
11430	Defined_Bond_Stereo_Count	0
8201	Undefined_Atom_Stereo_Count	0
71358911	Isotope_Atom_Count	0
274	Hydrogen_Bond_Acceptor_Count	10
5367785	Exact_Mass	236.177630004
61247	Molecular_Weight	102.17
3097	Rotatable_Bond_Count	3
40467346	XLogP3-AA	5.7
33613	Rotatable_Bond_Count	4
60196356	Hydrogen_Bond_Acceptor_Count	8
144416139	Rotatable_Bond_Count	1
446142	Undefined_Atom_Stereo_Count	0
3076	Structure_Complexity	565
71720884	Rotatable_Bond_Count	4
142044455	Molecular_Weight	108.18
6604796	TPSA	70.9
12360	Undefined_Bond_Stereo_Count	0
29083	XLogP3-AA	0.2
141289	Molecular_Weight	94.15
61585	Non-hydrogen_Atom_Count	18
91936863	Total_Formal_Charge	0
138471783	Rotatable_Bond_Count	3
68546	Defined_Atom_Stereo_Count	0
2822	Isotope_Atom_Count	0
14646171	Structure_Complexity	85.4
148837046	Hydrogen_Bond_Donor_Count	1
27918	Mono_Isotopic_Weight	274.08711472
85610	TPSA	37.5
61396	Hydrogen_Bond_Donor_Count	1
86855	Covalent_Unit_Count	1
87527569	Hydrogen_Bond_Donor_Count	3
24875372	Undefined_Atom_Stereo_Count	0
134825744	Defined_Bond_Stereo_Count	0
6469	Isotope_Atom_Count	0
44483332	Molecular_Weight	688.8
24900751	Undefined_Atom_Stereo_Count	0
948323	Defined_Atom_Stereo_Count	0
1471380	Undefined_Atom_Stereo_Count	0
47491	Total_Formal_Charge	0
568783	XLogP3	3.1
53595	Molecular_Weight	687.8
9187	Defined_Atom_Stereo_Count	0
7149	Covalent_Unit_Count	1
135435111	Defined_Atom_Stereo_Count	4
154059	Mono_Isotopic_Weight	362.199428076
138539	Rotatable_Bond_Count	1
2943	Hydrogen_Bond_Acceptor_Count	4
6442177	XLogP3-AA	5.9
90921336	Tautomer_Count	2
81618	Hydrogen_Bond_Acceptor_Count	3
35676	Structure_Complexity	203
443946	Exact_Mass	794.44525677
44338785	Structure_Complexity	897
22219016	Non-hydrogen_Atom_Count	35
3654	Structure_Complexity	413
23564147	Total_Formal_Charge	0
24726	TPSA	0
71450114	Undefined_Bond_Stereo_Count	0
16036578	Structure_Complexity	506
1476679	Rotatable_Bond_Count	4
62484	Covalent_Unit_Count	1
58242	Rotatable_Bond_Count	5
67805120	Covalent_Unit_Count	1
129852452	Rotatable_Bond_Count	8
11154555	Undefined_Bond_Stereo_Count	0
83788	Exact_Mass	175.08445790
88447703	Covalent_Unit_Count	1
67979	Defined_Atom_Stereo_Count	0
39268	Defined_Atom_Stereo_Count	0
15950085	Covalent_Unit_Count	1
163284948	Hydrogen_Bond_Acceptor_Count	19
129860447	Molecular_Weight	87.12
13691769	Total_Formal_Charge	0
65702	Isotope_Atom_Count	0
62092	Defined_Bond_Stereo_Count	0
2243	Total_Formal_Charge	0
11351021	Defined_Bond_Stereo_Count	0
62766	Total_Formal_Charge	0
75471	Molecular_Weight	157.25
517055	Non-hydrogen_Atom_Count	10
193433	Hydrogen_Bond_Acceptor_Count	6
8366	TPSA	79.1
11416	Covalent_Unit_Count	1
10194504	Exact_Mass	413.1142338
93286	Undefined_Bond_Stereo_Count	0
13445099	Rotatable_Bond_Count	4
46738768	Undefined_Bond_Stereo_Count	0
70693582	Mono_Isotopic_Weight	447.21336163
2789	Defined_Bond_Stereo_Count	0
54114222	Undefined_Atom_Stereo_Count	1
6538989	Total_Formal_Charge	0
90038	Structure_Complexity	167
22016536	Structure_Complexity	706
6436125	Undefined_Bond_Stereo_Count	0
11097730	Undefined_Atom_Stereo_Count	0
65910	Tautomer_Count	1
136430	Defined_Atom_Stereo_Count	0
175533	Non-hydrogen_Atom_Count	34
521863	Exact_Mass	120.00674260
71359064	Defined_Bond_Stereo_Count	0
42208	Structure_Complexity	716
80416	Covalent_Unit_Count	2
57394020	Undefined_Bond_Stereo_Count	0
70694392	Mono_Isotopic_Weight	329.09241742
2225	Defined_Bond_Stereo_Count	0
71296969	TPSA	143
118855925	Defined_Atom_Stereo_Count	4
89921642	Isotope_Atom_Count	0
146159909	Isotope_Atom_Count	0
12176	Hydrogen_Bond_Donor_Count	1
6641	Exact_Mass	270.161979940
731207	Structure_Complexity	376
90658468	TPSA	72.8
68783	Total_Formal_Charge	0
11073377	Undefined_Bond_Stereo_Count	0
126981343	Undefined_Bond_Stereo_Count	0
15982019	Molecular_Weight	481.5
130224237	Covalent_Unit_Count	1
6918141	Tautomer_Count	1
56973549	TPSA	114
44129647	Structure_Complexity	585
57483528	TPSA	110
120738	Tautomer_Count	1
37822	Total_Formal_Charge	0
31297	Hydrogen_Bond_Acceptor_Count	2
91663255	Isotope_Atom_Count	0
69908	Total_Formal_Charge	0
56670170	Rotatable_Bond_Count	5
3722	Total_Formal_Charge	0
5702098	Undefined_Bond_Stereo_Count	0
21674229	Molecular_Weight	654.8
72462	Hydrogen_Bond_Donor_Count	2
57458936	Defined_Bond_Stereo_Count	0
126969108	Exact_Mass	868.56604061
444764	Exact_Mass	209.03242232
2804	Non-hydrogen_Atom_Count	22
11963944	Hydrogen_Bond_Acceptor_Count	8
34695	Defined_Bond_Stereo_Count	0
71449989	Mono_Isotopic_Weight	393.20861303
12433	Isotope_Atom_Count	0
4884	XLogP3-AA	1
129674188	TPSA	68.4
413518	Exact_Mass	212.0716407
53906657	Exact_Mass	100.052429494
5729	XLogP3-AA	1.8
71094775	Non-hydrogen_Atom_Count	23
6431301	Exact_Mass	194.130679813
122361528	XLogP3-AA	4
60050	Hydrogen_Bond_Acceptor_Count	4
17865	Structure_Complexity	214
83063	Non-hydrogen_Atom_Count	13
70695665	Structure_Complexity	432
69149458	Undefined_Bond_Stereo_Count	0
6917866	Hydrogen_Bond_Acceptor_Count	4
252499	XLogP3-AA	2.5
62551	Defined_Bond_Stereo_Count	0
98097	Hydrogen_Bond_Donor_Count	0
13696436	Isotope_Atom_Count	0
688363	Mono_Isotopic_Weight	238.08412354
95739	TPSA	63.3
70346812	Hydrogen_Bond_Donor_Count	1
54080009	Defined_Bond_Stereo_Count	0
6977166	Hydrogen_Bond_Acceptor_Count	1
24848191	Isotope_Atom_Count	0
11398	Rotatable_Bond_Count	2
72978296	Undefined_Bond_Stereo_Count	0
3034645	Isotope_Atom_Count	0
9210	Undefined_Bond_Stereo_Count	0
10870	Exact_Mass	134.109550447
98790	Hydrogen_Bond_Acceptor_Count	1
10197625	Structure_Complexity	30.7
9892539	Structure_Complexity	633
71387	Non-hydrogen_Atom_Count	28
6599	Molecular_Weight	121.23
141010	Non-hydrogen_Atom_Count	14
3595	Non-hydrogen_Atom_Count	27
46861584	Defined_Atom_Stereo_Count	0
95169	TPSA	40.2
19775133	Defined_Atom_Stereo_Count	0
11542775	Defined_Atom_Stereo_Count	0
5282251	Hydrogen_Bond_Donor_Count	2
180335	Molecular_Weight	351.9
98181817	Isotope_Atom_Count	0
91667979	Non-hydrogen_Atom_Count	21
5222844	Non-hydrogen_Atom_Count	6
4163	Defined_Bond_Stereo_Count	0
6273649	Hydrogen_Bond_Acceptor_Count	4
5284631	Rotatable_Bond_Count	5
39709	Defined_Bond_Stereo_Count	0
2963764	Covalent_Unit_Count	1
10931	Non-hydrogen_Atom_Count	7
11550876	Total_Formal_Charge	0
5311055	Mono_Isotopic_Weight	364.26269704
74040195	Total_Formal_Charge	0
90722224	Mono_Isotopic_Weight	112.088815002
32838	Structure_Complexity	18.8
11108673	Rotatable_Bond_Count	0
91824766	Isotope_Atom_Count	0
11722	Rotatable_Bond_Count	1
46856376	Non-hydrogen_Atom_Count	8
70690049	Rotatable_Bond_Count	3
6527	TPSA	44.8
11556910	Covalent_Unit_Count	1
449093	Undefined_Bond_Stereo_Count	0
12376	XLogP3-AA	0
41022	Defined_Atom_Stereo_Count	0
11286443	Undefined_Atom_Stereo_Count	0
3058753	Undefined_Atom_Stereo_Count	0
6757	Undefined_Atom_Stereo_Count	0
316724	Undefined_Bond_Stereo_Count	0
681186	XLogP3-AA	4.4
4845	Covalent_Unit_Count	1
44225660	Hydrogen_Bond_Acceptor_Count	6
5242420	TPSA	56.1
273579	Total_Formal_Charge	0
37036	Total_Formal_Charge	0
10715	Total_Formal_Charge	0
135421876	Defined_Bond_Stereo_Count	0
143196	TPSA	44.7
28523	Total_Formal_Charge	0
49869312	Defined_Atom_Stereo_Count	0
51504	TPSA	68.9
83547	Molecular_Weight	96.91
10838895	Hydrogen_Bond_Acceptor_Count	8
222757	Undefined_Atom_Stereo_Count	0
6407	TPSA	17.1
7058	Defined_Atom_Stereo_Count	0
136266076	Hydrogen_Bond_Acceptor_Count	4
71572	Tautomer_Count	2
88305	Hydrogen_Bond_Donor_Count	4
24838347	Exact_Mass	196.0138511
12305763	Hydrogen_Bond_Acceptor_Count	9
9806229	TPSA	73.4
443100	Isotope_Atom_Count	0
69293	Hydrogen_Bond_Acceptor_Count	1
84979	Defined_Atom_Stereo_Count	0
105101	Molecular_Weight	308.0
799	Covalent_Unit_Count	1
248934	Isotope_Atom_Count	0
15567	Defined_Bond_Stereo_Count	0
268488	Structure_Complexity	180
3080719	Isotope_Atom_Count	0
25271860	Defined_Atom_Stereo_Count	1
14552708	Rotatable_Bond_Count	12
133612499	Exact_Mass	1033.54575866
78494	Exact_Mass	136.052429494
67121664	Molecular_Weight	112.17
712078	Non-hydrogen_Atom_Count	22
129864127	Undefined_Bond_Stereo_Count	0
49858375	Covalent_Unit_Count	1
60785	TPSA	52.2
69244	Mono_Isotopic_Weight	97.089149355
450	Molecular_Weight	272.4
5281416	Undefined_Atom_Stereo_Count	0
101526	Hydrogen_Bond_Donor_Count	3
6420118	Defined_Bond_Stereo_Count	0
118946372	Isotope_Atom_Count	0
21691039	Defined_Atom_Stereo_Count	0
21702858	Isotope_Atom_Count	0
4237	Non-hydrogen_Atom_Count	25
65832	XLogP3	3.8
12540907	Defined_Atom_Stereo_Count	0
30822	Covalent_Unit_Count	1
53632493	Undefined_Atom_Stereo_Count	2
91536	Undefined_Atom_Stereo_Count	0
9303	TPSA	118
10271170	Total_Formal_Charge	0
47576	Undefined_Bond_Stereo_Count	0
133124921	Covalent_Unit_Count	1
20146588	Defined_Atom_Stereo_Count	0
4607	Defined_Atom_Stereo_Count	0
156080	Undefined_Bond_Stereo_Count	0
12755803	Hydrogen_Bond_Acceptor_Count	1
14463	Rotatable_Bond_Count	3
240373	Isotope_Atom_Count	0
58391580	Undefined_Atom_Stereo_Count	6
129674572	Covalent_Unit_Count	1
23106685	Exact_Mass	101.084063974
10582773	Rotatable_Bond_Count	3
72886	Total_Formal_Charge	0
80108693	Structure_Complexity	70.1
21233	Hydrogen_Bond_Donor_Count	0
9839519	XLogP3-AA	4.2
65332	Isotope_Atom_Count	0
2755260	Exact_Mass	270.104465066
441130	Rotatable_Bond_Count	5
24461	Defined_Bond_Stereo_Count	0
5288365	Structure_Complexity	335
7475	XLogP3	1.4
133676174	Structure_Complexity	72.5
72728690	Exact_Mass	97.052763847
17995824	Undefined_Atom_Stereo_Count	0
49869877	Structure_Complexity	683
68790	XLogP3	3
97032	TPSA	40.5
56841936	Tautomer_Count	1
70686373	Structure_Complexity	574
23385063	TPSA	0
400769	TPSA	84.2
134460917	Molecular_Weight	504.6
76989	Undefined_Atom_Stereo_Count	0
9933004	Rotatable_Bond_Count	6
53143	Hydrogen_Bond_Donor_Count	2
40537366	Rotatable_Bond_Count	6
6604009	Non-hydrogen_Atom_Count	29
75714	Isotope_Atom_Count	0
24892716	Non-hydrogen_Atom_Count	109
604152	Molecular_Weight	201.26
4103	Mono_Isotopic_Weight	380.10420754
33643	Isotope_Atom_Count	0
12036417	Rotatable_Bond_Count	0
679386	XLogP3-AA	1.8
53867	Isotope_Atom_Count	0
87468080	Hydrogen_Bond_Donor_Count	0
107715	Tautomer_Count	4
4943	Isotope_Atom_Count	0
159889	Rotatable_Bond_Count	4
71452498	Undefined_Atom_Stereo_Count	0
21278826	Molecular_Weight	98.15
83975	Undefined_Bond_Stereo_Count	0
129853	Undefined_Atom_Stereo_Count	1
80695	Exact_Mass	481.99427965
12450	Covalent_Unit_Count	1
67322	Undefined_Bond_Stereo_Count	0
9921468	Structure_Complexity	370
10171348	Rotatable_Bond_Count	2
61012	Defined_Bond_Stereo_Count	0
14160348	Undefined_Atom_Stereo_Count	0
73425158	Hydrogen_Bond_Acceptor_Count	1
8193	Hydrogen_Bond_Acceptor_Count	1
49857672	Rotatable_Bond_Count	8
22352755	Isotope_Atom_Count	0
135071	Defined_Bond_Stereo_Count	0
21872090	Total_Formal_Charge	0
80487728	Molecular_Weight	114.11
65427	Rotatable_Bond_Count	1
68171	Molecular_Weight	382.7
68015385	Total_Formal_Charge	0
54399	Tautomer_Count	2
11326928	Defined_Bond_Stereo_Count	0
91277	Structure_Complexity	342
9883915	Undefined_Atom_Stereo_Count	0
7209	Hydrogen_Bond_Donor_Count	0
57009	Total_Formal_Charge	0
5364553	Molecular_Weight	294.6
21824035	Hydrogen_Bond_Acceptor_Count	3
618566	Molecular_Weight	430.2
176407	Undefined_Atom_Stereo_Count	0
44258737	Total_Formal_Charge	0
56619338	Non-hydrogen_Atom_Count	12
207292	Tautomer_Count	3
20725561	Undefined_Atom_Stereo_Count	0
5385498	Exact_Mass	428.31378912
135431094	Hydrogen_Bond_Donor_Count	5
99960	Structure_Complexity	272
8099	Rotatable_Bond_Count	9
5249	Rotatable_Bond_Count	12
59149763	Defined_Bond_Stereo_Count	0
11783895	Undefined_Bond_Stereo_Count	0
224844	Isotope_Atom_Count	0
25008249	Rotatable_Bond_Count	8
134613	TPSA	92.4
12259683	Mono_Isotopic_Weight	403.23587315
63181514	Non-hydrogen_Atom_Count	7
5359620	Structure_Complexity	127
935795	Molecular_Weight	316.8
21617691	Defined_Atom_Stereo_Count	0
21675743	Covalent_Unit_Count	1
128798	Hydrogen_Bond_Donor_Count	0
24191118	Defined_Bond_Stereo_Count	0
91231076	Isotope_Atom_Count	0
72296	Undefined_Bond_Stereo_Count	1
1487118	Undefined_Atom_Stereo_Count	0
3033621	Tautomer_Count	3
7225	Isotope_Atom_Count	0
21998212	TPSA	52.3
87713	Undefined_Bond_Stereo_Count	0
534094	XLogP3-AA	1
5282517	Isotope_Atom_Count	0
153386900	Structure_Complexity	125
60196331	Undefined_Atom_Stereo_Count	0
10034577	Isotope_Atom_Count	0
1120	Defined_Bond_Stereo_Count	0
25008120	Covalent_Unit_Count	3
556248	Mono_Isotopic_Weight	108.093900383
2064111	Molecular_Weight	106.13
6369390	Exact_Mass	78.99489136
17166	Undefined_Atom_Stereo_Count	0
3002190	Non-hydrogen_Atom_Count	58
3944	Mono_Isotopic_Weight	528.21078060
146158371	Structure_Complexity	915
124969	Rotatable_Bond_Count	4
5284572	Hydrogen_Bond_Acceptor_Count	7
52939724	Exact_Mass	480.15239891
135565082	Undefined_Bond_Stereo_Count	0
7523	Hydrogen_Bond_Donor_Count	0
50936926	TPSA	85.8
10285780	Defined_Atom_Stereo_Count	0
7530950	Molecular_Weight	196.29
114812	Total_Formal_Charge	0
9953205	XLogP3-AA	3.4
16950	Rotatable_Bond_Count	10
10937610	Total_Formal_Charge	0
67174361	Covalent_Unit_Count	2
102234473	XLogP3-AA	1.8
75538	Total_Formal_Charge	0
542606	Undefined_Atom_Stereo_Count	3
5459784	Tautomer_Count	1
625	Undefined_Atom_Stereo_Count	3
236487	Defined_Atom_Stereo_Count	0
51504	Rotatable_Bond_Count	10
101707094	Undefined_Bond_Stereo_Count	0
60155366	Hydrogen_Bond_Acceptor_Count	9
82593532	Rotatable_Bond_Count	1
90420227	Non-hydrogen_Atom_Count	8
54066	Molecular_Weight	250.34
140535901	Exact_Mass	95.048347172
446569	Mono_Isotopic_Weight	596.24170406
9718	Rotatable_Bond_Count	0
162291	Molecular_Weight	623.0
12278548	Exact_Mass	111.079647300
61349	Undefined_Bond_Stereo_Count	0
445395	Hydrogen_Bond_Acceptor_Count	11
102657	Rotatable_Bond_Count	2
31679	Non-hydrogen_Atom_Count	30
359	Total_Formal_Charge	0
5388880	Structure_Complexity	0
8449	Exact_Mass	161.9639201
143817762	Exact_Mass	107.073499291
5280335	Tautomer_Count	1
8749	Exact_Mass	150.079312947
197856	Tautomer_Count	15
26690	Mono_Isotopic_Weight	199.193614421
59082722	Undefined_Bond_Stereo_Count	0
12830793	Exact_Mass	114.104465066
15649173	Exact_Mass	103.099714038
92546	XLogP3-AA	1.3
102697	Non-hydrogen_Atom_Count	23
90561	Hydrogen_Bond_Donor_Count	2
22463764	Rotatable_Bond_Count	1
25137870	TPSA	51.6
17933153	Hydrogen_Bond_Acceptor_Count	4
12048	Exact_Mass	100.125200510
22169421	Exact_Mass	309.151749610
6364620	Total_Formal_Charge	0
6426742	Covalent_Unit_Count	1
265370	Covalent_Unit_Count	1
12932	Rotatable_Bond_Count	10
19871	XLogP3-AA	2.2
135673987	Undefined_Atom_Stereo_Count	0
24825271	Hydrogen_Bond_Donor_Count	1
72492	Hydrogen_Bond_Acceptor_Count	17
16050550	XLogP3-AA	3.2
8067	XLogP3-AA	2.3
24755478	Exact_Mass	434.22776808
5051	Rotatable_Bond_Count	11
4469994	Covalent_Unit_Count	1
2747	Molecular_Weight	262.3
6295	Non-hydrogen_Atom_Count	20
18760539	Undefined_Bond_Stereo_Count	0
3500	Isotope_Atom_Count	0
159652940	Non-hydrogen_Atom_Count	6
54000569	Defined_Atom_Stereo_Count	0
59823	Undefined_Atom_Stereo_Count	1
89886	Rotatable_Bond_Count	8
644213	Mono_Isotopic_Weight	276.0301698
139243814	Hydrogen_Bond_Acceptor_Count	0
77430	Covalent_Unit_Count	1
119054	Undefined_Atom_Stereo_Count	0
147285	Isotope_Atom_Count	0
301567	Mono_Isotopic_Weight	100.088815002
20690188	Defined_Bond_Stereo_Count	0
60814	TPSA	76.2
90779122	Undefined_Bond_Stereo_Count	0
689784	Covalent_Unit_Count	1
11430	Undefined_Atom_Stereo_Count	0
10238746	Isotope_Atom_Count	0
90227	Total_Formal_Charge	0
6659	Defined_Atom_Stereo_Count	0
134694638	Covalent_Unit_Count	1
135718449	Defined_Atom_Stereo_Count	0
25552	Undefined_Bond_Stereo_Count	0
18156	Exact_Mass	268.04840674
91266152	Molecular_Weight	94.15
643833	Total_Formal_Charge	0
47553	XLogP3	1.4
141366	Structure_Complexity	166
10724	Exact_Mass	146.073164938
57400694	Undefined_Atom_Stereo_Count	0
56327	Mono_Isotopic_Weight	219.125928785
28761	XLogP3-AA	2.2
198822	TPSA	107
27304	Undefined_Bond_Stereo_Count	0
2763	Structure_Complexity	333
942119	Molecular_Weight	313.28
135419182	Molecular_Weight	538.22
92829	Rotatable_Bond_Count	5
141758017	Exact_Mass	116.047344113
3416433	Hydrogen_Bond_Acceptor_Count	2
519946	TPSA	9.2
58044734	Hydrogen_Bond_Acceptor_Count	2
11018827	Undefined_Bond_Stereo_Count	0
135491728	Hydrogen_Bond_Donor_Count	1
10134976	TPSA	77.5
65028	Undefined_Bond_Stereo_Count	0
60203	Structure_Complexity	237
636345	Covalent_Unit_Count	1
15461361	Defined_Bond_Stereo_Count	2
70693519	Hydrogen_Bond_Acceptor_Count	8
12343986	Hydrogen_Bond_Acceptor_Count	2
538333	TPSA	26.3
11354606	Isotope_Atom_Count	0
119	Undefined_Atom_Stereo_Count	0
322968	Rotatable_Bond_Count	2
688145	TPSA	29.1
8917	Non-hydrogen_Atom_Count	11
3337	Covalent_Unit_Count	1
107807	Undefined_Bond_Stereo_Count	0
208920	Defined_Bond_Stereo_Count	0
15331	Undefined_Bond_Stereo_Count	0
81946	Covalent_Unit_Count	1
547676	Isotope_Atom_Count	0
307976	Non-hydrogen_Atom_Count	8
96638024	Defined_Atom_Stereo_Count	0
21989049	Mono_Isotopic_Weight	98.048012819
132281917	Molecular_Weight	578.3
23131983	Molecular_Weight	113.16
25199798	TPSA	74.6
16750600	Structure_Complexity	135
131737226	Molecular_Weight	308.92
56954881	Mono_Isotopic_Weight	340.16879665
70141017	XLogP3-AA	1.7
3246495	TPSA	142
10236005	Mono_Isotopic_Weight	129.042593085
57364	Hydrogen_Bond_Donor_Count	2
9828138	Mono_Isotopic_Weight	522.27635824
62334	Tautomer_Count	1
16050932	Rotatable_Bond_Count	4
657381	Non-hydrogen_Atom_Count	26
2737408	Undefined_Atom_Stereo_Count	0
156617951	Mono_Isotopic_Weight	342.11621151
7773	Exact_Mass	398.33960994
4212	Mono_Isotopic_Weight	444.20088463
11054313	Hydrogen_Bond_Donor_Count	0
52949613	Total_Formal_Charge	0
3050432	Defined_Atom_Stereo_Count	0
49838879	Hydrogen_Bond_Acceptor_Count	7
6917762	Covalent_Unit_Count	1
181583	Defined_Bond_Stereo_Count	0
16735405	Rotatable_Bond_Count	12
6610296	Hydrogen_Bond_Donor_Count	5
33793	Molecular_Weight	386.80
12546498	Defined_Atom_Stereo_Count	2
15939271	Total_Formal_Charge	0
630355	Isotope_Atom_Count	0
89520	Defined_Atom_Stereo_Count	0
139637653	TPSA	40.5
612684	Undefined_Atom_Stereo_Count	0
62739	Rotatable_Bond_Count	3
9920377	Covalent_Unit_Count	1
16664362	Covalent_Unit_Count	1
73509	Defined_Atom_Stereo_Count	0
16051495	Defined_Bond_Stereo_Count	0
6424	Defined_Bond_Stereo_Count	0
5282045	Non-hydrogen_Atom_Count	55
136891	Structure_Complexity	127
396765	Total_Formal_Charge	0
369373	Structure_Complexity	301
1004	Hydrogen_Bond_Donor_Count	3
118984456	Hydrogen_Bond_Acceptor_Count	61
15516956	Total_Formal_Charge	0
25080	Undefined_Atom_Stereo_Count	0
2034	Rotatable_Bond_Count	2
25271892	Undefined_Bond_Stereo_Count	0
3891	Isotope_Atom_Count	0
9989264	Hydrogen_Bond_Acceptor_Count	1
16132316	Structure_Complexity	7850
65837	Covalent_Unit_Count	1
799432	Molecular_Weight	283.77
580753	Undefined_Bond_Stereo_Count	0
57782	Exact_Mass	280.15354051
135398592	Hydrogen_Bond_Donor_Count	4
85540	Structure_Complexity	499
12755803	Isotope_Atom_Count	0
91415017	Total_Formal_Charge	0
9934033	Mono_Isotopic_Weight	425.20271676
55290736	Isotope_Atom_Count	0
16213668	Non-hydrogen_Atom_Count	22
10290754	Total_Formal_Charge	0
86590530	Hydrogen_Bond_Donor_Count	0
16421	Defined_Bond_Stereo_Count	0
246983	Non-hydrogen_Atom_Count	31
132647840	Covalent_Unit_Count	2
67615455	Defined_Bond_Stereo_Count	0
533427	Total_Formal_Charge	0
10352112	Defined_Bond_Stereo_Count	0
86022	Undefined_Atom_Stereo_Count	2
26091	Tautomer_Count	1
46244883	Molecular_Weight	424.5
165141	Defined_Bond_Stereo_Count	0
88269064	Total_Formal_Charge	0
7093	Total_Formal_Charge	0
408511	Covalent_Unit_Count	1
119097350	Exact_Mass	96.057514874
12395209	Structure_Complexity	202
129676328	Rotatable_Bond_Count	0
5367784	XLogP3	9.2
62329	XLogP3-AA	3.8
642197	Molecular_Weight	124.99
5352435	Total_Formal_Charge	0
9891637	Non-hydrogen_Atom_Count	36
16733194	Hydrogen_Bond_Donor_Count	2
60196391	Exact_Mass	295.09245548
9796590	Molecular_Weight	307.3
91474	Structure_Complexity	663
2898877	Isotope_Atom_Count	0
6433402	TPSA	34.1
2724159	Defined_Atom_Stereo_Count	1
53965310	Isotope_Atom_Count	0
11224409	Total_Formal_Charge	0
25381	Rotatable_Bond_Count	3
10934	Non-hydrogen_Atom_Count	7
6852393	Hydrogen_Bond_Donor_Count	0
19891145	Non-hydrogen_Atom_Count	8
83971	Molecular_Weight	893.0
19819	Defined_Atom_Stereo_Count	0
133568445	Isotope_Atom_Count	0
72207931	Undefined_Atom_Stereo_Count	1
18377249	Defined_Atom_Stereo_Count	0
8124	Covalent_Unit_Count	1
382	Hydrogen_Bond_Acceptor_Count	23
79003661	Defined_Bond_Stereo_Count	0
9964101	TPSA	80.4
10197668	Rotatable_Bond_Count	3
70484261	Defined_Atom_Stereo_Count	0
482604	Covalent_Unit_Count	1
461279	Rotatable_Bond_Count	6
44183	XLogP3-AA	3.4
54025583	TPSA	33
62143	Non-hydrogen_Atom_Count	11
5228468	Total_Formal_Charge	0
68135	Total_Formal_Charge	0
5281969	Defined_Atom_Stereo_Count	0
9454	TPSA	71.1
75530159	Defined_Atom_Stereo_Count	0
71719268	Hydrogen_Bond_Donor_Count	2
12754	Hydrogen_Bond_Donor_Count	0
32336	Exact_Mass	430.24204178
638066	Defined_Bond_Stereo_Count	1
57992058	Undefined_Bond_Stereo_Count	0
69462	Undefined_Atom_Stereo_Count	0
4194	Undefined_Bond_Stereo_Count	2
9867605	Rotatable_Bond_Count	4
11208660	Undefined_Bond_Stereo_Count	0
154214	Hydrogen_Bond_Acceptor_Count	4
160889158	Structure_Complexity	87.4
5362736	Molecular_Weight	236.39
20748	Molecular_Weight	142.20
637978	Covalent_Unit_Count	1
9517	Isotope_Atom_Count	0
6850791	Isotope_Atom_Count	0
135451068	Covalent_Unit_Count	1
12599701	Undefined_Bond_Stereo_Count	0
135391180	Structure_Complexity	1700
448133	Rotatable_Bond_Count	19
53346496	Defined_Bond_Stereo_Count	0
521807	Undefined_Bond_Stereo_Count	0
51397515	Non-hydrogen_Atom_Count	37
55004	Rotatable_Bond_Count	0
23103	Undefined_Bond_Stereo_Count	0
3137	Defined_Bond_Stereo_Count	0
6219	Non-hydrogen_Atom_Count	22
23675341	Structure_Complexity	839
57060020	TPSA	38
176505	Defined_Bond_Stereo_Count	0
54685047	Defined_Atom_Stereo_Count	5
749824	Covalent_Unit_Count	1
3208	Defined_Atom_Stereo_Count	0
4469994	Hydrogen_Bond_Donor_Count	2
14862	Tautomer_Count	2
15732693	Undefined_Atom_Stereo_Count	1
3973230	Exact_Mass	102.055503498
262	Covalent_Unit_Count	1
291133	Hydrogen_Bond_Acceptor_Count	3
11421	Structure_Complexity	165
102119819	Hydrogen_Bond_Acceptor_Count	5
131801164	Defined_Atom_Stereo_Count	1
46204764	TPSA	126
61240	Total_Formal_Charge	0
62662	Rotatable_Bond_Count	0
92374	Mono_Isotopic_Weight	236.04669266
5814	Rotatable_Bond_Count	2
87535084	Mono_Isotopic_Weight	114.068079557
114743	Undefined_Atom_Stereo_Count	0
6004	Hydrogen_Bond_Donor_Count	1
281888	Tautomer_Count	1
433956	Undefined_Atom_Stereo_Count	2
30999	Defined_Atom_Stereo_Count	0
2826731	Hydrogen_Bond_Donor_Count	2
76038	Isotope_Atom_Count	0
449223	Hydrogen_Bond_Donor_Count	4
99010	Rotatable_Bond_Count	3
61444	TPSA	95.6
4752	Undefined_Bond_Stereo_Count	0
12412244	Molecular_Weight	87.08
54686187	Defined_Bond_Stereo_Count	0
2734233	TPSA	8.8
54025583	Undefined_Atom_Stereo_Count	1
12007564	Structure_Complexity	149
11392	Total_Formal_Charge	0
700865	XLogP3-AA	3.3
10330781	Tautomer_Count	4
162883450	Total_Formal_Charge	0
11988286	Defined_Bond_Stereo_Count	0
6956357	Non-hydrogen_Atom_Count	26
13510025	Total_Formal_Charge	0
8076	Covalent_Unit_Count	1
71771	Non-hydrogen_Atom_Count	23
129760051	Rotatable_Bond_Count	40
95170	Defined_Bond_Stereo_Count	0
340026	Hydrogen_Bond_Donor_Count	1
179547	Isotope_Atom_Count	0
11061	Hydrogen_Bond_Acceptor_Count	3
11504295	Undefined_Bond_Stereo_Count	0
69582	Non-hydrogen_Atom_Count	10
11528340	Molecular_Weight	118.13
48288	Non-hydrogen_Atom_Count	22
40273	Total_Formal_Charge	0
4032	Covalent_Unit_Count	1
13271066	Hydrogen_Bond_Acceptor_Count	7
439	Non-hydrogen_Atom_Count	12
7926	Exact_Mass	250.05410052
62371	Mono_Isotopic_Weight	266.0429505
562	Hydrogen_Bond_Acceptor_Count	4
19965	Undefined_Atom_Stereo_Count	0
10230	Rotatable_Bond_Count	2
123071	Hydrogen_Bond_Donor_Count	1
155649598	TPSA	34
412781	Undefined_Bond_Stereo_Count	0
18950548	Defined_Atom_Stereo_Count	0
20061	Undefined_Bond_Stereo_Count	0
701083	TPSA	95.6
95292	Rotatable_Bond_Count	1
16219856	Total_Formal_Charge	0
10176589	Hydrogen_Bond_Donor_Count	3
562767	Undefined_Atom_Stereo_Count	1
10080320	Covalent_Unit_Count	1
2092	Hydrogen_Bond_Acceptor_Count	8
24284832	Defined_Bond_Stereo_Count	0
134688993	Molecular_Weight	263.78
637969	Rotatable_Bond_Count	0
21975	Hydrogen_Bond_Acceptor_Count	9
131750798	Molecular_Weight	494.4
70695654	Structure_Complexity	1000
2079	Defined_Bond_Stereo_Count	0
22924775	TPSA	80.3
3794	Rotatable_Bond_Count	4
53322797	Structure_Complexity	650
400769	Exact_Mass	505.31920885
580481	Isotope_Atom_Count	0
11400707	Undefined_Bond_Stereo_Count	0
139585999	TPSA	115
16642494	Defined_Atom_Stereo_Count	0
663	Covalent_Unit_Count	1
145706202	Total_Formal_Charge	0
50914976	Structure_Complexity	535
27307547	Hydrogen_Bond_Donor_Count	0
439778	Defined_Atom_Stereo_Count	0
22856	Defined_Atom_Stereo_Count	0
1342	Tautomer_Count	1
36054	Molecular_Weight	184.28
25019176	Mono_Isotopic_Weight	350.15768240
3037032	Tautomer_Count	1
643835	Hydrogen_Bond_Acceptor_Count	0
57358267	Mono_Isotopic_Weight	279.0428987
6124212	XLogP3-AA	1.5
29131	Isotope_Atom_Count	0
44473182	Hydrogen_Bond_Donor_Count	0
16215374	Exact_Mass	154.1165099
25915	Exact_Mass	122.084398327
12255457	Defined_Bond_Stereo_Count	0
16760569	Non-hydrogen_Atom_Count	35
1101	Non-hydrogen_Atom_Count	12
154734173	Molecular_Weight	113.07
5516	Molecular_Weight	406.0
4947	Undefined_Atom_Stereo_Count	0
21278826	Covalent_Unit_Count	1
147895	TPSA	231
519275	Defined_Bond_Stereo_Count	0
135410917	Molecular_Weight	274.75
5280581	Hydrogen_Bond_Acceptor_Count	2
72950888	Hydrogen_Bond_Acceptor_Count	10
441853	Undefined_Atom_Stereo_Count	0
58638	Undefined_Bond_Stereo_Count	0
11593431	Hydrogen_Bond_Acceptor_Count	2
13582607	XLogP3-AA	0.4
969152	Defined_Atom_Stereo_Count	0
52427	Hydrogen_Bond_Donor_Count	0
123920652	Molecular_Weight	110.20
70884982	Total_Formal_Charge	0
59087	Non-hydrogen_Atom_Count	22
57930746	Defined_Atom_Stereo_Count	0
16990	Mono_Isotopic_Weight	214.886310
13416	Structure_Complexity	126
61384	Non-hydrogen_Atom_Count	16
104805	Isotope_Atom_Count	0
6851	Total_Formal_Charge	0
21473742	XLogP3-AA	0.6
13486	Rotatable_Bond_Count	4
123744867	Non-hydrogen_Atom_Count	7
561780	Structure_Complexity	118
9949821	Molecular_Weight	340.3
79882	Exact_Mass	87.104799419
72926	Isotope_Atom_Count	0
8940	Structure_Complexity	390
1343	Covalent_Unit_Count	1
22224160	XLogP3-AA	2.4
573470	Undefined_Atom_Stereo_Count	0
6093219	Rotatable_Bond_Count	9
656575	Structure_Complexity	1050
984411	TPSA	113
11417567	Total_Formal_Charge	0
123840	Non-hydrogen_Atom_Count	23
10173277	Total_Formal_Charge	0
55146	Tautomer_Count	2
11503827	Rotatable_Bond_Count	5
135413538	TPSA	124
123322483	Non-hydrogen_Atom_Count	7
13058242	Structure_Complexity	144
10217	Hydrogen_Bond_Acceptor_Count	5
60662	Rotatable_Bond_Count	12
26979	Isotope_Atom_Count	0
57656232	Undefined_Bond_Stereo_Count	0
12414299	Rotatable_Bond_Count	0
49288	Defined_Atom_Stereo_Count	0
80416	Mono_Isotopic_Weight	177.0112047
146480	Exact_Mass	148.06703418
14494974	XLogP3-AA	0.9
961	Covalent_Unit_Count	1
64502	Molecular_Weight	216.32
168381	Total_Formal_Charge	0
42539	Defined_Bond_Stereo_Count	0
534258	TPSA	20.2
10045495	Total_Formal_Charge	0
55301151	Structure_Complexity	94.1
91224654	Covalent_Unit_Count	1
12699188	Exact_Mass	100.100048391
81923	Non-hydrogen_Atom_Count	9
24414	Molecular_Weight	233.39
1379	Defined_Bond_Stereo_Count	0
94960	Tautomer_Count	12
5440	Rotatable_Bond_Count	6
659024	Undefined_Atom_Stereo_Count	1
3037032	TPSA	60.4
633526	TPSA	27.7
44455010	XLogP3-AA	2.5
3000825	Total_Formal_Charge	0
54206132	Non-hydrogen_Atom_Count	7
4825	Hydrogen_Bond_Acceptor_Count	5
20251205	Exact_Mass	112.063662883
5903	Structure_Complexity	752
13346	Tautomer_Count	1
2342	Molecular_Weight	404.5
315411	Isotope_Atom_Count	0
3392711	TPSA	18.5
193956	Tautomer_Count	12
1142	Rotatable_Bond_Count	23
132941102	Isotope_Atom_Count	0
16749605	Total_Formal_Charge	0
10173280	Defined_Atom_Stereo_Count	0
39164	XLogP3-AA	4.2
60196407	Defined_Atom_Stereo_Count	1
101778159	Covalent_Unit_Count	1
146159626	Hydrogen_Bond_Acceptor_Count	6
98502	Non-hydrogen_Atom_Count	8
100978766	Defined_Bond_Stereo_Count	0
449435	Covalent_Unit_Count	1
21580808	Isotope_Atom_Count	0
70610	Rotatable_Bond_Count	5
5311325	Molecular_Weight	102.975151
73265310	Covalent_Unit_Count	1
5289535	Mono_Isotopic_Weight	785.28546166
57038995	Non-hydrogen_Atom_Count	7
4489	Structure_Complexity	1230
70682214	Total_Formal_Charge	0
11566378	Structure_Complexity	493
23668817	Tautomer_Count	1
5059	Structure_Complexity	375
78241	Defined_Bond_Stereo_Count	0
143075695	Non-hydrogen_Atom_Count	7
6182	TPSA	38
57401681	TPSA	119
4724	Non-hydrogen_Atom_Count	21
580328	Mono_Isotopic_Weight	481.98464049
9837419	Molecular_Weight	223.58
6652	Hydrogen_Bond_Donor_Count	0
43833377	Non-hydrogen_Atom_Count	37
12625720	TPSA	9.2
641496	Structure_Complexity	81.8
6476	Total_Formal_Charge	0
95200	Hydrogen_Bond_Donor_Count	0
9892071	Exact_Mass	497.16542806
8049	Undefined_Atom_Stereo_Count	0
8083388	Rotatable_Bond_Count	4
10018576	Mono_Isotopic_Weight	315.13313942
962	Structure_Complexity	0
18998026	Molecular_Weight	102.11
14094186	Exact_Mass	99.043261792
68489225	Exact_Mass	399.16952493
73889	TPSA	41.1
53846427	Defined_Bond_Stereo_Count	0
19928681	Hydrogen_Bond_Acceptor_Count	3
10455790	Structure_Complexity	818
13524524	Defined_Atom_Stereo_Count	0
158371	Defined_Bond_Stereo_Count	0
135193	Tautomer_Count	3
13244862	Hydrogen_Bond_Acceptor_Count	0
42609610	Non-hydrogen_Atom_Count	13
519200	Exact_Mass	100.052429494
74764517	TPSA	60.7
128907	Undefined_Atom_Stereo_Count	0
6710780	Undefined_Bond_Stereo_Count	0
54548956	Exact_Mass	112.063662883
156592059	Hydrogen_Bond_Donor_Count	8
25007064	Defined_Bond_Stereo_Count	0
4911	TPSA	83.1
92666	XLogP3-AA	1.6
551240	Covalent_Unit_Count	1
366248	Mono_Isotopic_Weight	872.66826128
11593431	Mono_Isotopic_Weight	88.052429494
11462536	Molecular_Weight	360.3
67923265	Isotope_Atom_Count	0
55900	Defined_Bond_Stereo_Count	0
6670	Mono_Isotopic_Weight	223.03031432
67371	Exact_Mass	477.2030488
2366	Hydrogen_Bond_Donor_Count	1
45437	Non-hydrogen_Atom_Count	17
1598	Defined_Atom_Stereo_Count	0
78819	Rotatable_Bond_Count	5
79474	Hydrogen_Bond_Acceptor_Count	2
156519226	Exact_Mass	110.073164938
11687	Exact_Mass	346.21440943
132935795	Mono_Isotopic_Weight	199.10308534
86222	Non-hydrogen_Atom_Count	26
52129	Exact_Mass	411.1367991
6877	Defined_Atom_Stereo_Count	0
443753	Hydrogen_Bond_Acceptor_Count	10
21630	Covalent_Unit_Count	1
2775641	Covalent_Unit_Count	1
4462	Covalent_Unit_Count	1
46964	Hydrogen_Bond_Donor_Count	1
68651	Defined_Atom_Stereo_Count	0
439271	Rotatable_Bond_Count	5
67108443	Hydrogen_Bond_Acceptor_Count	3
82734	Molecular_Weight	145.18
12661198	Hydrogen_Bond_Acceptor_Count	2
12962	Total_Formal_Charge	0
11539235	Undefined_Atom_Stereo_Count	1
53723270	Undefined_Atom_Stereo_Count	0
139181052	Total_Formal_Charge	0
16049769	TPSA	110
429734	Isotope_Atom_Count	0
18728307	Covalent_Unit_Count	1
76476	Mono_Isotopic_Weight	255.12907007
4995	Non-hydrogen_Atom_Count	9
23533635	Structure_Complexity	99.8
673820	Exact_Mass	276.97721
58044734	Rotatable_Bond_Count	0
705978	Exact_Mass	342.14019912
71335300	Hydrogen_Bond_Donor_Count	0
76500	XLogP3-AA	1.9
75444	Undefined_Bond_Stereo_Count	0
143670559	Isotope_Atom_Count	0
156497240	Total_Formal_Charge	0
25171607	Undefined_Bond_Stereo_Count	0
37	Non-hydrogen_Atom_Count	12
54695720	Mono_Isotopic_Weight	407.999111
24526	Non-hydrogen_Atom_Count	2
54536507	Hydrogen_Bond_Acceptor_Count	4
135564773	XLogP3-AA	5.3
135413544	Undefined_Atom_Stereo_Count	0
10866300	Covalent_Unit_Count	1
146474256	Undefined_Atom_Stereo_Count	2
3798	Covalent_Unit_Count	1
15084311	Defined_Bond_Stereo_Count	0
815404	Hydrogen_Bond_Donor_Count	0
6919101	Exact_Mass	101.060254526
11636816	Hydrogen_Bond_Donor_Count	1
5784745	Molecular_Weight	247.3
84042	Isotope_Atom_Count	0
23675320	Defined_Bond_Stereo_Count	0
32610	Covalent_Unit_Count	1
92028754	Mono_Isotopic_Weight	69.9665510
28615	Total_Formal_Charge	0
5282367	Covalent_Unit_Count	1
78950	Undefined_Bond_Stereo_Count	0
409438	Molecular_Weight	166.18
2176	XLogP3	4
15266968	Tautomer_Count	1
160866	Hydrogen_Bond_Donor_Count	0
13217907	Rotatable_Bond_Count	1
16051921	Structure_Complexity	406
16599	Rotatable_Bond_Count	5
166918	Exact_Mass	264.910451
60196318	Hydrogen_Bond_Acceptor_Count	2
146461	XLogP3	2.2
13658066	Exact_Mass	112.052429494
95705	Mono_Isotopic_Weight	170.06914219
9800065	Structure_Complexity	519
17318	Structure_Complexity	229
318158	Undefined_Bond_Stereo_Count	0
522007	Tautomer_Count	1
23190	Molecular_Weight	266.25
52654	Non-hydrogen_Atom_Count	18
53315139	Defined_Atom_Stereo_Count	10
129651092	Exact_Mass	551.0560847
2316	Defined_Atom_Stereo_Count	0
535634	XLogP3-AA	0.2
6918107	Defined_Bond_Stereo_Count	0
84696	Mono_Isotopic_Weight	509.37250772
13037720	Hydrogen_Bond_Donor_Count	3
16663248	Total_Formal_Charge	0
77442653	Defined_Atom_Stereo_Count	0
3036154	Isotope_Atom_Count	0
102492967	Defined_Atom_Stereo_Count	0
150762	Undefined_Atom_Stereo_Count	1
30190	Exact_Mass	414.161979940
33728341	Non-hydrogen_Atom_Count	8
10877079	Hydrogen_Bond_Donor_Count	1
121493662	Defined_Bond_Stereo_Count	1
6437064	Mono_Isotopic_Weight	688.39751874
53315818	Exact_Mass	243.08954328
7296	Covalent_Unit_Count	1
1293762	Undefined_Bond_Stereo_Count	0
210172	Mono_Isotopic_Weight	457.1898973
18626418	Mono_Isotopic_Weight	118.062994177
21020205	Defined_Atom_Stereo_Count	0
54949	Defined_Bond_Stereo_Count	0
15801221	Undefined_Atom_Stereo_Count	0
81450	Exact_Mass	230.03612798
4564493	Tautomer_Count	8
59601793	XLogP3-AA	1.2
135854412	Covalent_Unit_Count	1
7907	Total_Formal_Charge	0
28417	Tautomer_Count	1
94020	Rotatable_Bond_Count	2
58143028	Defined_Bond_Stereo_Count	0
140639440	Molecular_Weight	357.3
18867	TPSA	48.1
53315139	Total_Formal_Charge	0
58208	Defined_Atom_Stereo_Count	0
721137	Hydrogen_Bond_Acceptor_Count	4
23565353	Non-hydrogen_Atom_Count	8
5281078	Molecular_Weight	433.5
443074	Defined_Bond_Stereo_Count	0
88024860	Total_Formal_Charge	0
157882	Hydrogen_Bond_Donor_Count	1
5484736	Mono_Isotopic_Weight	389.04503815
3000241	Structure_Complexity	222
21698963	Hydrogen_Bond_Acceptor_Count	4
54753	TPSA	32.3
66002	Defined_Bond_Stereo_Count	0
6950	Structure_Complexity	298
17305	Defined_Atom_Stereo_Count	0
52038	Rotatable_Bond_Count	6
105014	Rotatable_Bond_Count	9
540327	Isotope_Atom_Count	0
18069	TPSA	43.1
89312617	Defined_Atom_Stereo_Count	0
22021903	TPSA	38.7
60196378	Covalent_Unit_Count	2
214038	Exact_Mass	496.2623340
137218006	Hydrogen_Bond_Donor_Count	5
18048	Undefined_Atom_Stereo_Count	0
18338549	Exact_Mass	111.079647300
22257513	TPSA	23.8
70163	Rotatable_Bond_Count	2
9053	Exact_Mass	376.20498756
6435207	Isotope_Atom_Count	0
88406	Mono_Isotopic_Weight	144.078644241
220164	Mono_Isotopic_Weight	84.057514874
10442251	Non-hydrogen_Atom_Count	13
67532	Mono_Isotopic_Weight	336.89492
40550	Mono_Isotopic_Weight	267.05179866
139085	Rotatable_Bond_Count	0
22753620	Exact_Mass	108.068748264
10108847	Rotatable_Bond_Count	5
123131999	Rotatable_Bond_Count	2
11974214	Non-hydrogen_Atom_Count	34
6477971	Hydrogen_Bond_Acceptor_Count	12
86101	XLogP3	2.1
167724	Covalent_Unit_Count	1
150855	Structure_Complexity	660
36832	Defined_Atom_Stereo_Count	0
5359272	Total_Formal_Charge	0
23310226	Hydrogen_Bond_Donor_Count	0
2816576	Defined_Atom_Stereo_Count	0
6918653	Undefined_Bond_Stereo_Count	0
453077	Mono_Isotopic_Weight	220.100048391
11957572	TPSA	212
2786	Tautomer_Count	2
85597	Mono_Isotopic_Weight	126.068079557
82143	Covalent_Unit_Count	1
44338967	XLogP3-AA	2.4
439358	Defined_Bond_Stereo_Count	0
11073365	Mono_Isotopic_Weight	108.068748264
7072	Undefined_Atom_Stereo_Count	0
104806	Hydrogen_Bond_Acceptor_Count	4
16133892	Exact_Mass	1700.1729741
66623496	Hydrogen_Bond_Donor_Count	0
11042360	Defined_Atom_Stereo_Count	0
454	TPSA	17.1
135113	Total_Formal_Charge	0
65999	Covalent_Unit_Count	1
62436	Structure_Complexity	230
185457	Covalent_Unit_Count	1
446912	Molecular_Weight	531.7
51347104	Rotatable_Bond_Count	2
11819042	Isotope_Atom_Count	0
8485	TPSA	62.8
445071	Total_Formal_Charge	0
9934458	Hydrogen_Bond_Donor_Count	1
68739327	Defined_Bond_Stereo_Count	0
441397	Hydrogen_Bond_Donor_Count	2
633	Rotatable_Bond_Count	23
10947	Covalent_Unit_Count	1
95391	Defined_Bond_Stereo_Count	0
12084878	Defined_Atom_Stereo_Count	0
41019	Non-hydrogen_Atom_Count	11
89976630	Mono_Isotopic_Weight	107.037113783
12097423	Defined_Bond_Stereo_Count	0
56890	Hydrogen_Bond_Donor_Count	0
441	Isotope_Atom_Count	0
5367785	Hydrogen_Bond_Donor_Count	0
96873	Rotatable_Bond_Count	4
12933420	Mono_Isotopic_Weight	83.048347172
57394195	Total_Formal_Charge	0
13652	Undefined_Atom_Stereo_Count	0
16323	Hydrogen_Bond_Donor_Count	0
101925253	XLogP3-AA	8.6
449107	XLogP3-AA	4.9
62403	Molecular_Weight	712.7
226108	Structure_Complexity	64.4
103453154	Mono_Isotopic_Weight	112.052429494
13194811	Non-hydrogen_Atom_Count	25
122197	Mono_Isotopic_Weight	431.07575
10319630	Undefined_Bond_Stereo_Count	0
20191	Molecular_Weight	380.3
5352	Mono_Isotopic_Weight	356.08824374
6452618	Rotatable_Bond_Count	8
6918446	Undefined_Bond_Stereo_Count	0
444182	Total_Formal_Charge	0
123840	Defined_Atom_Stereo_Count	0
52427	Isotope_Atom_Count	0
75785	Exact_Mass	193.110278721
4779	Mono_Isotopic_Weight	335.09225967
59034276	Non-hydrogen_Atom_Count	12
56949327	Undefined_Bond_Stereo_Count	0
6918524	Defined_Atom_Stereo_Count	0
801471	Defined_Atom_Stereo_Count	2
441073	TPSA	45.6
12708177	Covalent_Unit_Count	1
12611534	Hydrogen_Bond_Donor_Count	1
20521791	Structure_Complexity	159
135409474	Exact_Mass	316.04775529
12936730	Non-hydrogen_Atom_Count	8
134914194	Covalent_Unit_Count	1
99516	Mono_Isotopic_Weight	416.32904526
85864685	Undefined_Bond_Stereo_Count	0
98442	Defined_Bond_Stereo_Count	0
9827982	Defined_Atom_Stereo_Count	0
25142042	Defined_Atom_Stereo_Count	2
54161810	Non-hydrogen_Atom_Count	7
6369388	Non-hydrogen_Atom_Count	20
2789	Hydrogen_Bond_Acceptor_Count	2
405012	Hydrogen_Bond_Acceptor_Count	3
219608	Undefined_Bond_Stereo_Count	0
5352133	Tautomer_Count	3
24864821	Molecular_Weight	383.4
21430317	TPSA	0
12301251	Isotope_Atom_Count	0
5280953	Covalent_Unit_Count	1
70751	Hydrogen_Bond_Acceptor_Count	3
18504387	Molecular_Weight	82.10
118972006	Total_Formal_Charge	0
3002003	Non-hydrogen_Atom_Count	24
22833295	Defined_Bond_Stereo_Count	0
26105	Undefined_Atom_Stereo_Count	1
32719	Tautomer_Count	1
2942	Total_Formal_Charge	0
13443454	Undefined_Bond_Stereo_Count	0
45344	Tautomer_Count	1
11072675	Defined_Bond_Stereo_Count	0
11972518	Exact_Mass	1110.57633051
444461	Total_Formal_Charge	0
23450	Tautomer_Count	6
11669987	TPSA	88
11575878	Covalent_Unit_Count	1
71128	Structure_Complexity	348
21545139	Molecular_Weight	97.12
71308751	Hydrogen_Bond_Acceptor_Count	16
16212480	Rotatable_Bond_Count	18
443979	Isotope_Atom_Count	0
7058	Undefined_Atom_Stereo_Count	0
66992840	Undefined_Bond_Stereo_Count	0
20848883	Mono_Isotopic_Weight	561.0801915
129897177	Mono_Isotopic_Weight	1065.53558789
9848818	TPSA	132
455579	Undefined_Atom_Stereo_Count	0
71622657	Hydrogen_Bond_Donor_Count	1
38031	Non-hydrogen_Atom_Count	15
159772	Tautomer_Count	4
5282402	Isotope_Atom_Count	0
25217475	Hydrogen_Bond_Donor_Count	7
45238	Molecular_Weight	289.4
135402009	Molecular_Weight	473.4
176872	Mono_Isotopic_Weight	957.58135632
494085	Isotope_Atom_Count	0
797972	Total_Formal_Charge	0
124159802	Defined_Bond_Stereo_Count	0
60982	Structure_Complexity	166
146487258	Exact_Mass	116.083729621
8366	Undefined_Atom_Stereo_Count	1
5327	Exact_Mass	278.08374688
6999801	Molecular_Weight	102.17
158525	Defined_Atom_Stereo_Count	0
8809	Exact_Mass	334.1005581
16540	Covalent_Unit_Count	1
8030	Hydrogen_Bond_Donor_Count	0
135565932	Undefined_Bond_Stereo_Count	0
317681	Undefined_Atom_Stereo_Count	0
19801	Mono_Isotopic_Weight	154.135765193
259994	Defined_Atom_Stereo_Count	1
6769	Molecular_Weight	666.7
23081366	Total_Formal_Charge	0
46782362	Undefined_Atom_Stereo_Count	0
5281099	Exact_Mass	665.30474055
2795565	Molecular_Weight	224.05
90394	Hydrogen_Bond_Donor_Count	3
13562	Undefined_Bond_Stereo_Count	0
14103059	Undefined_Bond_Stereo_Count	0
21580808	Mono_Isotopic_Weight	273.12728871
1548953	Total_Formal_Charge	0
235738	Undefined_Bond_Stereo_Count	0
146935695	Defined_Bond_Stereo_Count	0
9870843	Molecular_Weight	506.6
6918546	Hydrogen_Bond_Acceptor_Count	12
61370	XLogP3-AA	1.2
25142312	XLogP3-AA	3.1
44540469	XLogP3-AA	4.6
9865442	Exact_Mass	394.1547017
4977	Hydrogen_Bond_Donor_Count	1
264090	Undefined_Bond_Stereo_Count	0
61917	Total_Formal_Charge	0
32048	Total_Formal_Charge	0
50888	Undefined_Atom_Stereo_Count	1
77313	Hydrogen_Bond_Donor_Count	0
61930	Structure_Complexity	105
54676884	Undefined_Atom_Stereo_Count	2
11664966	Isotope_Atom_Count	0
104677	Total_Formal_Charge	0
1382059	Covalent_Unit_Count	1
14012	Hydrogen_Bond_Acceptor_Count	6
43507	Covalent_Unit_Count	1
5371	Exact_Mass	430.34469533
6420050	Exact_Mass	341.1605153
7045767	XLogP3-AA	0.4
87833	Total_Formal_Charge	0
67184	Defined_Bond_Stereo_Count	0
534918	Isotope_Atom_Count	0
165360154	Exact_Mass	846.1243199
6541	Rotatable_Bond_Count	8
7222	Rotatable_Bond_Count	0
89456730	Hydrogen_Bond_Donor_Count	1
149096	Hydrogen_Bond_Acceptor_Count	8
71332025	Total_Formal_Charge	0
11137085	Covalent_Unit_Count	2
83528703	Undefined_Atom_Stereo_Count	0
32607	Non-hydrogen_Atom_Count	17
24875318	Undefined_Bond_Stereo_Count	0
89534431	Undefined_Bond_Stereo_Count	0
16722522	Total_Formal_Charge	0
3413278	Defined_Atom_Stereo_Count	0
9906	Non-hydrogen_Atom_Count	15
66254	TPSA	63.3
95659	Mono_Isotopic_Weight	198.104465066
635911	Hydrogen_Bond_Acceptor_Count	6
9601	Total_Formal_Charge	0
558341	Total_Formal_Charge	0
365	Undefined_Bond_Stereo_Count	2
83975	Structure_Complexity	639
99147	Hydrogen_Bond_Acceptor_Count	2
93320	Covalent_Unit_Count	1
11746	TPSA	37.3
14200531	Non-hydrogen_Atom_Count	8
2209	Defined_Atom_Stereo_Count	0
6321253	Mono_Isotopic_Weight	338.21066147
28727	Structure_Complexity	237
36357	Exact_Mass	352.21105539
11186829	Defined_Bond_Stereo_Count	0
24266	Mono_Isotopic_Weight	143.93644758
87457638	Defined_Atom_Stereo_Count	0
66970	Defined_Bond_Stereo_Count	0
786892	TPSA	67.8
60503	Rotatable_Bond_Count	5
25138298	Hydrogen_Bond_Donor_Count	18
28506	Rotatable_Bond_Count	2
91612	Covalent_Unit_Count	1
107760	Isotope_Atom_Count	0
23678979	TPSA	40.1
3033821	Exact_Mass	335.13822480
98266	Defined_Bond_Stereo_Count	0
16735967	Mono_Isotopic_Weight	508.27980365
25171648	Covalent_Unit_Count	1
67742	Defined_Bond_Stereo_Count	0
25010775	Non-hydrogen_Atom_Count	25
154724068	Hydrogen_Bond_Acceptor_Count	6
13561474	Non-hydrogen_Atom_Count	8
52941462	Defined_Atom_Stereo_Count	2
101694728	Total_Formal_Charge	0
20674252	Defined_Atom_Stereo_Count	0
83864197	Non-hydrogen_Atom_Count	8
39174	Covalent_Unit_Count	3
11636326	Covalent_Unit_Count	1
23279022	Hydrogen_Bond_Donor_Count	2
6604816	Mono_Isotopic_Weight	1201.84136802
969014	Undefined_Atom_Stereo_Count	0
1269845	Total_Formal_Charge	0
13664	Non-hydrogen_Atom_Count	13
448875	Defined_Bond_Stereo_Count	0
6276645	Total_Formal_Charge	0
1662	Non-hydrogen_Atom_Count	11
647120	Exact_Mass	403.1274391
40539	Structure_Complexity	265
54726192	Defined_Bond_Stereo_Count	0
101743295	Structure_Complexity	441
168	Undefined_Atom_Stereo_Count	10
88534961	Total_Formal_Charge	0
8499	Non-hydrogen_Atom_Count	12
53661221	Molecular_Weight	99.17
17995824	Rotatable_Bond_Count	0
11681588	Undefined_Atom_Stereo_Count	0
123462540	Hydrogen_Bond_Donor_Count	2
4889	Defined_Atom_Stereo_Count	0
14078850	Covalent_Unit_Count	1
135546482	Covalent_Unit_Count	1
78160	Rotatable_Bond_Count	5
44201343	Hydrogen_Bond_Donor_Count	106
693050	Defined_Atom_Stereo_Count	1
152445	Rotatable_Bond_Count	1
2282	Rotatable_Bond_Count	10
36781	TPSA	21.3
129860157	Total_Formal_Charge	0
5284537	Defined_Bond_Stereo_Count	0
29385	Non-hydrogen_Atom_Count	7
66756281	Hydrogen_Bond_Donor_Count	3
16329	Undefined_Bond_Stereo_Count	0
129722163	TPSA	127
10343454	Mono_Isotopic_Weight	444.0910560
60196413	Structure_Complexity	552
10376	TPSA	35.5
34572	Defined_Bond_Stereo_Count	0
73353578	Mono_Isotopic_Weight	410.0945816
10113430	Total_Formal_Charge	0
23675746	Undefined_Atom_Stereo_Count	3
54106053	Total_Formal_Charge	0
12201322	Hydrogen_Bond_Donor_Count	3
60196372	Rotatable_Bond_Count	0
131536	Undefined_Atom_Stereo_Count	0
60982	Tautomer_Count	13
423438	Defined_Atom_Stereo_Count	0
70520512	Undefined_Atom_Stereo_Count	2
138005	Non-hydrogen_Atom_Count	17
73828	TPSA	78.1
71584419	Hydrogen_Bond_Acceptor_Count	7
6387197	Non-hydrogen_Atom_Count	2
9019	Hydrogen_Bond_Donor_Count	0
73303	Molecular_Weight	420.5
4066245	Rotatable_Bond_Count	3
91604	Mono_Isotopic_Weight	210.161979940
12465658	Total_Formal_Charge	0
84599	Defined_Atom_Stereo_Count	0
23663982	Hydrogen_Bond_Donor_Count	1
11474	Total_Formal_Charge	0
4195	Undefined_Bond_Stereo_Count	0
74242	Rotatable_Bond_Count	1
15738546	Covalent_Unit_Count	1
1615208	Covalent_Unit_Count	1
622923	XLogP3-AA	4.5
18378000	Rotatable_Bond_Count	0
70691388	Tautomer_Count	1001
139074319	Mono_Isotopic_Weight	455.19317399
45375806	Defined_Bond_Stereo_Count	0
9875401	Isotope_Atom_Count	0
10823	Structure_Complexity	61.4
68604	Covalent_Unit_Count	1
46783232	Undefined_Bond_Stereo_Count	0
129631271	Molecular_Weight	289.15
14951968	Non-hydrogen_Atom_Count	8
25222248	Exact_Mass	363.13292312
71463825	Mono_Isotopic_Weight	1201.84136802
65092	Undefined_Atom_Stereo_Count	0
15273920	XLogP3-AA	1
80108693	Undefined_Atom_Stereo_Count	0
57394598	XLogP3-AA	4.4
7077	TPSA	12.5
81643	Defined_Atom_Stereo_Count	0
76957744	Defined_Bond_Stereo_Count	0
43672	Defined_Atom_Stereo_Count	4
372	Non-hydrogen_Atom_Count	13
34526	Hydrogen_Bond_Donor_Count	0
7121	Defined_Bond_Stereo_Count	0
11582651	Molecular_Weight	425.4
220181	Structure_Complexity	327
6133	Hydrogen_Bond_Donor_Count	7
410906	Defined_Bond_Stereo_Count	0
13356643	Total_Formal_Charge	0
57511216	Undefined_Atom_Stereo_Count	0
59022304	Molecular_Weight	101.15
5464344	Structure_Complexity	590
178145	TPSA	37.3
71449988	Defined_Atom_Stereo_Count	0
23679004	Isotope_Atom_Count	0
25167777	Non-hydrogen_Atom_Count	36
72732196	Hydrogen_Bond_Donor_Count	2
108092	Defined_Bond_Stereo_Count	0
14964043	Non-hydrogen_Atom_Count	7
9794218	Mono_Isotopic_Weight	200.04081944
89976681	Mono_Isotopic_Weight	107.037113783
24916843	Non-hydrogen_Atom_Count	47
85689	Undefined_Bond_Stereo_Count	0
102220	Mono_Isotopic_Weight	361.1808568
941650	Non-hydrogen_Atom_Count	30
16054	Covalent_Unit_Count	1
2318	Undefined_Bond_Stereo_Count	0
6266	Isotope_Atom_Count	0
76198	Total_Formal_Charge	0
2378	Hydrogen_Bond_Donor_Count	0
10199068	Defined_Atom_Stereo_Count	2
6917874	Structure_Complexity	1600
54016283	Structure_Complexity	45.8
737804	XLogP3-AA	0.8
57390700	Total_Formal_Charge	0
22260381	Hydrogen_Bond_Donor_Count	1
13567	Non-hydrogen_Atom_Count	8
90488715	Defined_Atom_Stereo_Count	10
57767271	Undefined_Bond_Stereo_Count	0
53466062	TPSA	85.1
10189783	Isotope_Atom_Count	0
65662	XLogP3-AA	2.7
89280865	Undefined_Atom_Stereo_Count	1
121396	Exact_Mass	190.05897142
11926	Molecular_Weight	143.18
11233	Non-hydrogen_Atom_Count	8
12040510	Defined_Bond_Stereo_Count	0
5047209	Rotatable_Bond_Count	0
81530	Undefined_Atom_Stereo_Count	0
5459973	Rotatable_Bond_Count	1
7181	Non-hydrogen_Atom_Count	18
61151	Mono_Isotopic_Weight	166.062994177
219301	Defined_Bond_Stereo_Count	0
2386	Undefined_Atom_Stereo_Count	0
129629095	Total_Formal_Charge	0
11865437	Mono_Isotopic_Weight	342.11621151
62485	Structure_Complexity	417
1194	TPSA	49.7
8153	Hydrogen_Bond_Donor_Count	0
941361	Exact_Mass	404.20640516
44330586	Mono_Isotopic_Weight	266.10150494
68846936	Defined_Atom_Stereo_Count	0
27868	Isotope_Atom_Count	0
124602261	Covalent_Unit_Count	1
21924633	Hydrogen_Bond_Acceptor_Count	1
6850791	Molecular_Weight	1269.4
117715670	Exact_Mass	382.0754060
24453	Total_Formal_Charge	0
60155182	Structure_Complexity	676
85456	Hydrogen_Bond_Acceptor_Count	6
6166	Non-hydrogen_Atom_Count	24
118210659	Hydrogen_Bond_Acceptor_Count	4
75082	Non-hydrogen_Atom_Count	6
129709955	Exact_Mass	250.172150702
53373584	Hydrogen_Bond_Acceptor_Count	10
7886	Structure_Complexity	158
65429	Rotatable_Bond_Count	6
12433	Defined_Atom_Stereo_Count	0
88266	Defined_Atom_Stereo_Count	0
491022	Non-hydrogen_Atom_Count	37
95162564	Non-hydrogen_Atom_Count	23
42827	Defined_Bond_Stereo_Count	0
77999	Exact_Mass	357.11471265
10887868	XLogP3-AA	0.1
17925	Structure_Complexity	413
2349	Defined_Atom_Stereo_Count	0
11188898	Hydrogen_Bond_Acceptor_Count	6
55011	Covalent_Unit_Count	1
12454	Tautomer_Count	1
117968974	Rotatable_Bond_Count	0
46942	Exact_Mass	204.220163521
3483736	Total_Formal_Charge	1
92840	Mono_Isotopic_Weight	164.083729621
6435463	Covalent_Unit_Count	1
60552	Undefined_Atom_Stereo_Count	1
11789162	Mono_Isotopic_Weight	112.088815002
11317883	Molecular_Weight	493.5
674917	TPSA	38.3
57403932	Covalent_Unit_Count	1
1097	Undefined_Bond_Stereo_Count	4
11850983	Non-hydrogen_Atom_Count	17
135977933	Defined_Atom_Stereo_Count	0
65741	Non-hydrogen_Atom_Count	16
36798	Structure_Complexity	225
1519	Defined_Atom_Stereo_Count	0
20320770	Structure_Complexity	92.6
23581946	Rotatable_Bond_Count	4
138322	Hydrogen_Bond_Donor_Count	0
2341	Undefined_Atom_Stereo_Count	1
19425	Mono_Isotopic_Weight	80.037448136
136703	Molecular_Weight	114.10
12594	Covalent_Unit_Count	1
123	Hydrogen_Bond_Acceptor_Count	2
429342	Exact_Mass	253.99156
20702319	Molecular_Weight	113.16
10820479	Hydrogen_Bond_Donor_Count	1
19284	Isotope_Atom_Count	0
12355883	Undefined_Atom_Stereo_Count	0
123165994	Defined_Atom_Stereo_Count	0
42040	Non-hydrogen_Atom_Count	15
10909502	Hydrogen_Bond_Acceptor_Count	2
159671	Exact_Mass	236.061382
69685	TPSA	45.5
15671	Isotope_Atom_Count	0
75312	Isotope_Atom_Count	0
909750	Structure_Complexity	528
5280981	Molecular_Weight	222.17
135406167	XLogP3	2.3
102678	Exact_Mass	580.4222973
4695	Defined_Atom_Stereo_Count	0
135402338	Undefined_Atom_Stereo_Count	0
2793757	Defined_Atom_Stereo_Count	0
369219	TPSA	20.3
7600	Non-hydrogen_Atom_Count	15
14865900	XLogP3-AA	0.2
637552	Hydrogen_Bond_Donor_Count	1
59227	Exact_Mass	315.16568559
151062	Covalent_Unit_Count	1
118466088	Exact_Mass	108.032362755
12101	Exact_Mass	122.073164938
4407718	Structure_Complexity	1790
11174599	Undefined_Atom_Stereo_Count	0
45109807	Total_Formal_Charge	0
6442439	Covalent_Unit_Count	1
138403272	Mono_Isotopic_Weight	925.50349992
22411865	Defined_Bond_Stereo_Count	0
87642	Defined_Atom_Stereo_Count	5
192160	TPSA	38.7
13214	Mono_Isotopic_Weight	161.00888727
87315833	Undefined_Atom_Stereo_Count	0
138148	Structure_Complexity	55.2
65327	Non-hydrogen_Atom_Count	21
5281609	Structure_Complexity	957
68840	Total_Formal_Charge	0
359137	Undefined_Atom_Stereo_Count	2
57399910	Defined_Atom_Stereo_Count	0
25256833	Covalent_Unit_Count	1
21996048	Covalent_Unit_Count	1
92515	Mono_Isotopic_Weight	208.109944368
13391	Structure_Complexity	135
18622	Undefined_Bond_Stereo_Count	0
665263	Defined_Bond_Stereo_Count	0
7566944	Covalent_Unit_Count	1
23675349	Mono_Isotopic_Weight	264.09084324
705715	Undefined_Bond_Stereo_Count	0
317459	Hydrogen_Bond_Acceptor_Count	1
53956290	Non-hydrogen_Atom_Count	27
12285879	TPSA	110
15376	Covalent_Unit_Count	1
129664081	Isotope_Atom_Count	0
139066803	Mono_Isotopic_Weight	440.20009678
256539	Structure_Complexity	345
25181577	Covalent_Unit_Count	1
91927769	Hydrogen_Bond_Acceptor_Count	4
6417	Exact_Mass	102.068079557
409347	Rotatable_Bond_Count	7
136489	Non-hydrogen_Atom_Count	7
22083393	Molecular_Weight	100.08
129600762	Total_Formal_Charge	0
84937	Defined_Bond_Stereo_Count	0
12748956	Hydrogen_Bond_Acceptor_Count	2
48368	Molecular_Weight	448.5
6917880	Defined_Atom_Stereo_Count	9
16219127	Hydrogen_Bond_Acceptor_Count	6
30380	Structure_Complexity	203
129890070	Hydrogen_Bond_Donor_Count	0
57339238	Molecular_Weight	336.21
151172	Total_Formal_Charge	0
5367222	Tautomer_Count	1
3717	Undefined_Bond_Stereo_Count	0
5284566	Isotope_Atom_Count	0
5460221	Undefined_Bond_Stereo_Count	0
11903	Defined_Bond_Stereo_Count	0
9918	Hydrogen_Bond_Acceptor_Count	1
101938021	Undefined_Atom_Stereo_Count	0
9949848	Total_Formal_Charge	0
2135	Undefined_Bond_Stereo_Count	0
444041	Defined_Bond_Stereo_Count	0
91759532	Isotope_Atom_Count	0
123072	Non-hydrogen_Atom_Count	18
7015680	Mono_Isotopic_Weight	111.104799419
135300	Structure_Complexity	0
25271781	Molecular_Weight	326.5
3927	Molecular_Weight	380.5
20072996	Molecular_Weight	101.15
6867	Defined_Atom_Stereo_Count	0
12298	Defined_Bond_Stereo_Count	0
127403	Hydrogen_Bond_Acceptor_Count	3
11374	Covalent_Unit_Count	1
14092185	Total_Formal_Charge	0
6779	XLogP3	5.3
2649	Defined_Atom_Stereo_Count	0
53897	Isotope_Atom_Count	0
141849	Structure_Complexity	70.4
7085	Defined_Atom_Stereo_Count	0
7683	Mono_Isotopic_Weight	212.97893
291529	Non-hydrogen_Atom_Count	17
9871420	XLogP3-AA	3
2807	Hydrogen_Bond_Acceptor_Count	6
3385	Mono_Isotopic_Weight	130.01785550
21255491	Molecular_Weight	108.18
70014	Hydrogen_Bond_Acceptor_Count	4
6999987	Non-hydrogen_Atom_Count	7
39929	Undefined_Bond_Stereo_Count	0
11686063	Hydrogen_Bond_Donor_Count	12
129674572	Hydrogen_Bond_Acceptor_Count	3
15979	XLogP3-AA	9.3
80971	Total_Formal_Charge	0
9570639	Non-hydrogen_Atom_Count	28
22414183	Total_Formal_Charge	0
980	Structure_Complexity	123
5253	Defined_Bond_Stereo_Count	0
126970904	Hydrogen_Bond_Donor_Count	1
54530824	Molecular_Weight	114.14
118264	Exact_Mass	266.0822054
13639661	Molecular_Weight	116.11
61529	Hydrogen_Bond_Donor_Count	1
5327	XLogP3	0.3
4627807	Mono_Isotopic_Weight	115.099714038
539061	Exact_Mass	548.29853298
10197646	Undefined_Bond_Stereo_Count	0
12636118	TPSA	32.3
2098	Covalent_Unit_Count	1
121304016	TPSA	204
64033	Non-hydrogen_Atom_Count	19
971023	Hydrogen_Bond_Acceptor_Count	2
315394	Undefined_Bond_Stereo_Count	1
11366954	Molecular_Weight	97.12
129628397	TPSA	154
34844	Hydrogen_Bond_Acceptor_Count	6
44338773	TPSA	138
6366591	XLogP3-AA	1.7
143886	Non-hydrogen_Atom_Count	8
101895952	Non-hydrogen_Atom_Count	34
70681028	TPSA	69.3
4155932	Defined_Bond_Stereo_Count	0
22833295	Undefined_Atom_Stereo_Count	0
16129675	Molecular_Weight	1352.4
12443	Non-hydrogen_Atom_Count	15
10559	XLogP3-AA	2.8
12867691	Mono_Isotopic_Weight	167.073499291
71361084	Defined_Bond_Stereo_Count	0
89708952	Exact_Mass	113.047678466
66663660	Undefined_Atom_Stereo_Count	0
19104	Exact_Mass	335.188529040
75994	Undefined_Atom_Stereo_Count	0
3410	Undefined_Bond_Stereo_Count	0
44629456	Mono_Isotopic_Weight	734.46906622
18506394	Covalent_Unit_Count	1
11604	Exact_Mass	81.057849228
158506	Rotatable_Bond_Count	4
216281	Mono_Isotopic_Weight	193.110278721
8176	Non-hydrogen_Atom_Count	11
53172	Undefined_Bond_Stereo_Count	0
12644711	Non-hydrogen_Atom_Count	6
5934	Mono_Isotopic_Weight	239.142247555
5954	Total_Formal_Charge	0
16687076	Undefined_Bond_Stereo_Count	0
18542136	Undefined_Atom_Stereo_Count	0
71729958	Undefined_Atom_Stereo_Count	0
448051	Hydrogen_Bond_Acceptor_Count	6
135398516	Structure_Complexity	630
13895197	Covalent_Unit_Count	1
5175	Exact_Mass	339.1059778
9595287	Defined_Bond_Stereo_Count	1
5667	Isotope_Atom_Count	0
18669439	Rotatable_Bond_Count	0
240373	Mono_Isotopic_Weight	282.07866149
73812	Non-hydrogen_Atom_Count	15
105037	Mono_Isotopic_Weight	153.078978594
154101	TPSA	38.3
410214	Structure_Complexity	443
61739	Molecular_Weight	51.45
160743752	Defined_Atom_Stereo_Count	0
5199	TPSA	348
67296	Undefined_Atom_Stereo_Count	0
17198	Non-hydrogen_Atom_Count	14
72849	Molecular_Weight	307.2
70190	Covalent_Unit_Count	1
56955281	XLogP3-AA	3.6
8373	XLogP3	2.5
11480819	TPSA	110
54760130	Undefined_Bond_Stereo_Count	0
5281764	Tautomer_Count	136
3486729	Total_Formal_Charge	0
6337614	Non-hydrogen_Atom_Count	22
7854	Isotope_Atom_Count	0
72871	Non-hydrogen_Atom_Count	13
4347	Undefined_Atom_Stereo_Count	0
8748	Exact_Mass	154.135765193
23680530	Tautomer_Count	6
49342	XLogP3-AA	1.2
21809017	Structure_Complexity	116
3644	Molecular_Weight	440.4
70263	Total_Formal_Charge	0
62660	TPSA	26.3
50990560	Defined_Atom_Stereo_Count	18
36431	Exact_Mass	421.2244530
26710	Defined_Atom_Stereo_Count	0
90248267	Molecular_Weight	102.14
67258902	Isotope_Atom_Count	0
15842091	Defined_Atom_Stereo_Count	0
107917	Defined_Bond_Stereo_Count	0
5364448	Defined_Atom_Stereo_Count	0
11284169	Rotatable_Bond_Count	3
71311382	Exact_Mass	246.198365449
3148	Isotope_Atom_Count	0
6436057	Structure_Complexity	548
20262675	Exact_Mass	112.052429494
56631355	Exact_Mass	116.083729621
4198	Rotatable_Bond_Count	1
38102	Total_Formal_Charge	0
261491	Undefined_Atom_Stereo_Count	0
9795291	Exact_Mass	265.09866828
138	TPSA	63.3
65589	Defined_Bond_Stereo_Count	0
9828626	Total_Formal_Charge	0
23355	Tautomer_Count	10
20759	XLogP3-AA	0.5
20055414	Defined_Atom_Stereo_Count	2
15294	Exact_Mass	164.047344113
216466	Isotope_Atom_Count	0
6438130	TPSA	55.1
55284153	Hydrogen_Bond_Acceptor_Count	3
672296	Rotatable_Bond_Count	1
11772257	Total_Formal_Charge	0
108313	Hydrogen_Bond_Donor_Count	0
9584	Tautomer_Count	1
98810	XLogP3	0.2
533854	Rotatable_Bond_Count	3
58420421	Exact_Mass	110.084398327
20728717	Defined_Bond_Stereo_Count	0
25059	Defined_Atom_Stereo_Count	0
5460467	Exact_Mass	9.0121831
125110	Total_Formal_Charge	0
61810	Hydrogen_Bond_Donor_Count	1
135424354	Tautomer_Count	17
18934502	Molecular_Weight	84.12
20624744	Total_Formal_Charge	0
11317	Mono_Isotopic_Weight	156.093900383
11986122	Hydrogen_Bond_Acceptor_Count	8
25100740	Undefined_Atom_Stereo_Count	0
5358907	Exact_Mass	354.15795719
9966051	Mono_Isotopic_Weight	298.15036988
9848818	Defined_Bond_Stereo_Count	0
716315	Mono_Isotopic_Weight	183.06955672
264090	TPSA	51.8
96807	Structure_Complexity	417
96517	Structure_Complexity	436
8271	TPSA	66.5
32439	Defined_Atom_Stereo_Count	0
21078422	Defined_Atom_Stereo_Count	0
961192	Defined_Bond_Stereo_Count	0
82593536	Covalent_Unit_Count	1
38687	Total_Formal_Charge	0
12364	Mono_Isotopic_Weight	144.089877630
25073049	Rotatable_Bond_Count	6
21058	Defined_Bond_Stereo_Count	0
129814671	Defined_Bond_Stereo_Count	0
79484	XLogP3	1.2
101254310	Exact_Mass	182.07161235
139062654	Hydrogen_Bond_Acceptor_Count	12
72652	Exact_Mass	309.09766318
40826	Hydrogen_Bond_Acceptor_Count	4
70789197	Total_Formal_Charge	0
134854766	Total_Formal_Charge	0
53456	Covalent_Unit_Count	1
74811	Hydrogen_Bond_Acceptor_Count	2
22660	Tautomer_Count	2
968498	TPSA	77.5
3651	Defined_Bond_Stereo_Count	0
9366	Tautomer_Count	1
67850	Exact_Mass	401.80256
14683451	Mono_Isotopic_Weight	100.063662883
77441779	Undefined_Atom_Stereo_Count	2
88344183	Defined_Bond_Stereo_Count	0
21615295	Non-hydrogen_Atom_Count	7
17740	Defined_Bond_Stereo_Count	0
17734	Mono_Isotopic_Weight	255.12190603
260708	Defined_Bond_Stereo_Count	0
453958	Hydrogen_Bond_Acceptor_Count	3
19	Molecular_Weight	154.12
3608	Undefined_Atom_Stereo_Count	1
57369982	Molecular_Weight	301.25
21139953	Hydrogen_Bond_Acceptor_Count	2
22308	Covalent_Unit_Count	1
16211417	Hydrogen_Bond_Donor_Count	0
2995	Isotope_Atom_Count	0
14416612	Rotatable_Bond_Count	1
40520	Rotatable_Bond_Count	6
98790	Defined_Atom_Stereo_Count	0
519415	Defined_Atom_Stereo_Count	0
3313	Hydrogen_Bond_Acceptor_Count	4
58270057	Hydrogen_Bond_Acceptor_Count	2
6451148	Isotope_Atom_Count	0
10937607	Covalent_Unit_Count	1
3792939	Exact_Mass	101.904340
41465	Tautomer_Count	1
144161560	Rotatable_Bond_Count	1
122214398	Covalent_Unit_Count	1
5284537	Undefined_Atom_Stereo_Count	0
289085	Rotatable_Bond_Count	8
6444203	Molecular_Weight	690.9
3957	Defined_Atom_Stereo_Count	0
86289068	Undefined_Bond_Stereo_Count	0
21895922	Covalent_Unit_Count	1
96034	Molecular_Weight	99.17
5280445	Molecular_Weight	286.24
73426	TPSA	49.8
7366	Defined_Atom_Stereo_Count	0
87186939	Rotatable_Bond_Count	1
13698369	Undefined_Bond_Stereo_Count	0
564980	Exact_Mass	177.090211983
93896	XLogP3-AA	5.6
18692	Mono_Isotopic_Weight	259.90475
7495	TPSA	55
3801344	Hydrogen_Bond_Donor_Count	0
38972	Undefined_Bond_Stereo_Count	0
12959039	Total_Formal_Charge	0
40703	Non-hydrogen_Atom_Count	33
543706	Hydrogen_Bond_Donor_Count	1
14417887	Total_Formal_Charge	0
27902	Non-hydrogen_Atom_Count	23
129848458	XLogP3-AA	5
9962	TPSA	0
61660	Non-hydrogen_Atom_Count	10
22132384	Isotope_Atom_Count	0
129679806	Non-hydrogen_Atom_Count	8
45791189	Defined_Bond_Stereo_Count	0
73513	TPSA	95.9
70687384	Rotatable_Bond_Count	3
715567	Exact_Mass	285.12996879
71344821	Undefined_Atom_Stereo_Count	1
98148766	Covalent_Unit_Count	1
105426997	Total_Formal_Charge	0
95483	XLogP3-AA	1.2
50258	Exact_Mass	298.22564282
35162	Defined_Atom_Stereo_Count	0
154361546	Covalent_Unit_Count	1
92237	TPSA	202
5709	Covalent_Unit_Count	1
14990169	Defined_Bond_Stereo_Count	0
11365506	Non-hydrogen_Atom_Count	38
4271571	Undefined_Bond_Stereo_Count	0
12289818	XLogP3-AA	0.2
135398731	Molecular_Weight	521.21
13878035	Undefined_Bond_Stereo_Count	0
45119915	Defined_Bond_Stereo_Count	0
100959353	TPSA	104
23665765	Defined_Atom_Stereo_Count	0
68380382	Structure_Complexity	113
65840	Structure_Complexity	82.7
5230729	Hydrogen_Bond_Acceptor_Count	1
5459830	Rotatable_Bond_Count	3
108850	Total_Formal_Charge	0
6025	Structure_Complexity	276
148837658	Total_Formal_Charge	0
15291	Rotatable_Bond_Count	3
21248212	Hydrogen_Bond_Donor_Count	0
131668531	Structure_Complexity	1850
71397	Mono_Isotopic_Weight	285.151749610
20834260	Isotope_Atom_Count	0
590130	Undefined_Atom_Stereo_Count	2
547790	Rotatable_Bond_Count	2
454386	Rotatable_Bond_Count	4
20342	Isotope_Atom_Count	0
114905	Rotatable_Bond_Count	14
7017101	Molecular_Weight	124.14
75947	Exact_Mass	219.9281244
78579	Defined_Atom_Stereo_Count	0
6877	Undefined_Atom_Stereo_Count	0
6169	TPSA	65.6
51397022	Exact_Mass	424.23620751
79828	Rotatable_Bond_Count	3
170833	Hydrogen_Bond_Donor_Count	1
12576851	Covalent_Unit_Count	1
91143491	Exact_Mass	99.068413911
56670160	Undefined_Bond_Stereo_Count	0
11953895	Tautomer_Count	1
517057	Tautomer_Count	1
66558601	Covalent_Unit_Count	1
44418576	Structure_Complexity	346
16048558	Exact_Mass	230.094294304
342737	Structure_Complexity	590
701038	Rotatable_Bond_Count	2
135497803	Covalent_Unit_Count	1
3336	TPSA	12
153196846	Molecular_Weight	97.16
10898660	Rotatable_Bond_Count	1
442021	TPSA	51.2
68846936	Defined_Bond_Stereo_Count	0
59876594	Isotope_Atom_Count	0
25271818	Non-hydrogen_Atom_Count	25
4339626	Molecular_Weight	101.19
182951	TPSA	62.6
9936489	Molecular_Weight	520.0
88929423	XLogP3-AA	1.5
249187	Hydrogen_Bond_Acceptor_Count	10
191101	Defined_Bond_Stereo_Count	0
6474320	Tautomer_Count	998
5779	Hydrogen_Bond_Acceptor_Count	5
21998678	Structure_Complexity	138
11886769	TPSA	190
8878	Total_Formal_Charge	0
90202	Undefined_Bond_Stereo_Count	0
11675388	Non-hydrogen_Atom_Count	27
80230	Hydrogen_Bond_Acceptor_Count	3
32414	Structure_Complexity	253
96277	Exact_Mass	200.0240218
101210282	Hydrogen_Bond_Acceptor_Count	0
9920327	Undefined_Bond_Stereo_Count	0
6433095	Isotope_Atom_Count	0
21326601	Undefined_Bond_Stereo_Count	0
8012	Hydrogen_Bond_Acceptor_Count	1
22768309	Structure_Complexity	78.5
446998	Molecular_Weight	291.33
823960	Covalent_Unit_Count	1
43220	Structure_Complexity	1020
628889	Mono_Isotopic_Weight	315.0217694
12511	Undefined_Bond_Stereo_Count	0
96759	Exact_Mass	304.121177757
6429536	Mono_Isotopic_Weight	199.93343
5351247	Molecular_Weight	492.1
1549133	Hydrogen_Bond_Acceptor_Count	4
60192	Rotatable_Bond_Count	11
477	Undefined_Atom_Stereo_Count	4
13601826	Defined_Atom_Stereo_Count	0
11957654	Covalent_Unit_Count	2
567743	Rotatable_Bond_Count	4
819440	Structure_Complexity	76.8
91809622	Structure_Complexity	474
137278711	Defined_Bond_Stereo_Count	0
51001932	Undefined_Bond_Stereo_Count	0
17806836	Isotope_Atom_Count	0
216345	Molecular_Weight	581.5
54245381	Mono_Isotopic_Weight	118.099379685
44318267	Rotatable_Bond_Count	6
11962267	Defined_Atom_Stereo_Count	0
133561657	Total_Formal_Charge	0
249778	XLogP3-AA	0.1
14058558	Hydrogen_Bond_Acceptor_Count	3
49243	Molecular_Weight	286.39
141886129	Covalent_Unit_Count	1
91285707	Non-hydrogen_Atom_Count	7
44323204	Structure_Complexity	1520
107280	Hydrogen_Bond_Acceptor_Count	6
11271	Covalent_Unit_Count	1
53472683	TPSA	117
13381	Molecular_Weight	140.27
55276371	Hydrogen_Bond_Donor_Count	0
144841571	Hydrogen_Bond_Acceptor_Count	2
9570376	Hydrogen_Bond_Acceptor_Count	4
57149850	Defined_Atom_Stereo_Count	0
62495	Undefined_Bond_Stereo_Count	0
27402	TPSA	44.5
88836	Defined_Atom_Stereo_Count	0
24405	Mono_Isotopic_Weight	335.15935417
135483437	Defined_Bond_Stereo_Count	0
80542	Undefined_Bond_Stereo_Count	0
2724248	Molecular_Weight	260.29
11815712	Defined_Bond_Stereo_Count	1
3077451	Non-hydrogen_Atom_Count	8
136507	Mono_Isotopic_Weight	108.057514874
12664537	Hydrogen_Bond_Acceptor_Count	4
141993	Total_Formal_Charge	0
250096	Covalent_Unit_Count	1
122283	Defined_Bond_Stereo_Count	0
22035328	Defined_Bond_Stereo_Count	0
9810771	Non-hydrogen_Atom_Count	49
3339	TPSA	52.6
43215	Isotope_Atom_Count	0
5241	Tautomer_Count	1
129628370	Rotatable_Bond_Count	0
57035514	Mono_Isotopic_Weight	112.063662883
65764	Hydrogen_Bond_Donor_Count	0
100	Undefined_Bond_Stereo_Count	7
44319	XLogP3-AA	5.6
44310838	Hydrogen_Bond_Acceptor_Count	7
129865974	XLogP3-AA	10.1
60144418	Structure_Complexity	378
54901	Defined_Bond_Stereo_Count	0
10402	Defined_Bond_Stereo_Count	0
51174	Structure_Complexity	623
73921	Molecular_Weight	207.23
53694406	Non-hydrogen_Atom_Count	7
13838546	Exact_Mass	110.048012819
685814	XLogP3-AA	1.6
70234124	Defined_Bond_Stereo_Count	0
13760528	Molecular_Weight	112.17
71365	Hydrogen_Bond_Donor_Count	2
24723	Defined_Bond_Stereo_Count	0
13432441	Undefined_Atom_Stereo_Count	1
74353448	XLogP3-AA	2.9
57394211	Rotatable_Bond_Count	9
2736	Molecular_Weight	412.6
246476	TPSA	150
5284587	Rotatable_Bond_Count	2
5773	Hydrogen_Bond_Acceptor_Count	6
135400183	XLogP3-AA	0.3
10339178	Isotope_Atom_Count	0
2209	Defined_Bond_Stereo_Count	0
16395512	Hydrogen_Bond_Acceptor_Count	16
37968	Defined_Bond_Stereo_Count	0
56835784	Molecular_Weight	492.33
135425186	Rotatable_Bond_Count	2
6427102	Total_Formal_Charge	0
268488	TPSA	92.4
79143	Hydrogen_Bond_Donor_Count	1
58044734	Mono_Isotopic_Weight	99.068413911
5362457	Molecular_Weight	585.8
3991	Structure_Complexity	271
74859	Structure_Complexity	48
23355	Defined_Atom_Stereo_Count	0
22243070	Total_Formal_Charge	0
2215	Hydrogen_Bond_Donor_Count	2
11332503	Molecular_Weight	137.14
83814964	Structure_Complexity	88.4
44442027	Covalent_Unit_Count	1
58190401	Undefined_Atom_Stereo_Count	0
22939741	Defined_Atom_Stereo_Count	0
31721	Undefined_Bond_Stereo_Count	0
11294	Defined_Atom_Stereo_Count	0
70267	Covalent_Unit_Count	1
5107	Hydrogen_Bond_Donor_Count	4
129318280	Isotope_Atom_Count	0
77888	Isotope_Atom_Count	0
10034577	TPSA	32.3
23000221	Covalent_Unit_Count	1
418296	Covalent_Unit_Count	1
693241	Defined_Bond_Stereo_Count	0
20387220	Hydrogen_Bond_Acceptor_Count	1
86256506	Exact_Mass	101.047678466
657238	Hydrogen_Bond_Donor_Count	2
444795	Total_Formal_Charge	0
11674	Structure_Complexity	86.2
12950121	Isotope_Atom_Count	0
27020	XLogP3-AA	6.2
135458645	Molecular_Weight	847.0
8901	Molecular_Weight	96.13
536113	Undefined_Bond_Stereo_Count	0
7835	Structure_Complexity	37.9
156432753	Isotope_Atom_Count	0
14107712	Covalent_Unit_Count	1
15587	Structure_Complexity	415
129027658	Hydrogen_Bond_Acceptor_Count	1
82362	Mono_Isotopic_Weight	684.06850721
9566269	Isotope_Atom_Count	0
130990	Structure_Complexity	1150
71312117	Molecular_Weight	393.5
11865423	Non-hydrogen_Atom_Count	25
180335	Rotatable_Bond_Count	6
13452201	Non-hydrogen_Atom_Count	7
60988	Mono_Isotopic_Weight	252.97147929
23672064	Hydrogen_Bond_Donor_Count	2
292659	Defined_Bond_Stereo_Count	0
4242975	Molecular_Weight	257.33
56661920	Non-hydrogen_Atom_Count	35
10636633	Hydrogen_Bond_Donor_Count	0
82400	Structure_Complexity	414
16526	Exact_Mass	146.01499861
129849349	Undefined_Atom_Stereo_Count	2
10813969	Undefined_Atom_Stereo_Count	0
14925	Structure_Complexity	192
143888994	Undefined_Atom_Stereo_Count	0
13299177	Structure_Complexity	111
9808654	Exact_Mass	592.3059301
13939519	Structure_Complexity	90.5
131810	Rotatable_Bond_Count	18
6419928	Rotatable_Bond_Count	4
394128	Structure_Complexity	563
59296099	Non-hydrogen_Atom_Count	32
131845646	Exact_Mass	768.00929
10297	Tautomer_Count	1
3777650	Isotope_Atom_Count	0
6420010	Hydrogen_Bond_Acceptor_Count	8
656575	Isotope_Atom_Count	0
29228	Structure_Complexity	172
11083833	Covalent_Unit_Count	1
5536	Mono_Isotopic_Weight	310.14163842
101915880	Total_Formal_Charge	0
50962	Exact_Mass	318.161979940
111089	Defined_Bond_Stereo_Count	0
86010	Mono_Isotopic_Weight	212.0369090
123662875	Undefined_Bond_Stereo_Count	0
16129778	Defined_Bond_Stereo_Count	0
38853	Undefined_Atom_Stereo_Count	0
9865421	Mono_Isotopic_Weight	394.20049070
11315250	Isotope_Atom_Count	0
89479318	Isotope_Atom_Count	0
230976	Total_Formal_Charge	0
10574415	Undefined_Atom_Stereo_Count	0
57336523	Undefined_Bond_Stereo_Count	0
86014	Hydrogen_Bond_Acceptor_Count	0
23663412	Non-hydrogen_Atom_Count	41
529287	Mono_Isotopic_Weight	110.109550447
125347	Mono_Isotopic_Weight	372.15460314
81923	Defined_Atom_Stereo_Count	0
22607	Total_Formal_Charge	0
9952884	Mono_Isotopic_Weight	401.11577528
74574	Molecular_Weight	310.21
689784	Hydrogen_Bond_Acceptor_Count	7
55290197	Hydrogen_Bond_Donor_Count	2
133169	Structure_Complexity	155
77720	Isotope_Atom_Count	0
5323976	Defined_Atom_Stereo_Count	0
69245	Rotatable_Bond_Count	0
2724629	Defined_Atom_Stereo_Count	2
72941511	Hydrogen_Bond_Donor_Count	8
20653386	Mono_Isotopic_Weight	108.057514874
9869776	Hydrogen_Bond_Acceptor_Count	10
6328682	Structure_Complexity	313
124770286	Mono_Isotopic_Weight	665.30474055
107669	Non-hydrogen_Atom_Count	14
7681	Defined_Bond_Stereo_Count	0
81766	XLogP3-AA	0.8
60196323	Exact_Mass	392.1689124
9954280	Rotatable_Bond_Count	5
3032854	Hydrogen_Bond_Acceptor_Count	2
94228	Tautomer_Count	1
22608833	Hydrogen_Bond_Donor_Count	1
77222	Molecular_Weight	564.09
10478302	Defined_Atom_Stereo_Count	0
129634850	Exact_Mass	98.048012819
16049769	Rotatable_Bond_Count	5
50587	Rotatable_Bond_Count	22
6419708	Molecular_Weight	300.4
9960	Undefined_Bond_Stereo_Count	0
67108443	Molecular_Weight	341.9
58376816	Defined_Bond_Stereo_Count	0
6067	Molecular_Weight	340.5
410467	TPSA	32.3
19871	Hydrogen_Bond_Acceptor_Count	1
78858	Defined_Bond_Stereo_Count	0
6440352	Tautomer_Count	228
144606028	Defined_Atom_Stereo_Count	0
129829002	Rotatable_Bond_Count	0
44516953	TPSA	128
88524529	Undefined_Bond_Stereo_Count	0
104485	Covalent_Unit_Count	1
47517	Non-hydrogen_Atom_Count	18
22150757	Defined_Atom_Stereo_Count	0
40466988	Non-hydrogen_Atom_Count	36
58233	Undefined_Atom_Stereo_Count	2
17912	Covalent_Unit_Count	1
101399329	Hydrogen_Bond_Acceptor_Count	2
23681382	Undefined_Atom_Stereo_Count	0
44590403	Defined_Bond_Stereo_Count	0
23644194	Undefined_Bond_Stereo_Count	0
23366185	Rotatable_Bond_Count	2
31255	Total_Formal_Charge	0
25660	Hydrogen_Bond_Acceptor_Count	2
11430856	Mono_Isotopic_Weight	450.26646226
413742	Covalent_Unit_Count	1
2227	Total_Formal_Charge	0
70813	Isotope_Atom_Count	0
524646	Defined_Atom_Stereo_Count	0
270901	Covalent_Unit_Count	1
520381	Exact_Mass	206.203450829
1640	Hydrogen_Bond_Acceptor_Count	2
2734686	Isotope_Atom_Count	0
9823224	Total_Formal_Charge	0
7400	TPSA	62.8
90485	Rotatable_Bond_Count	5
6443717	Molecular_Weight	98.10
6418	Rotatable_Bond_Count	1
97702	Isotope_Atom_Count	0
9234	Exact_Mass	98.073164938
69862751	Non-hydrogen_Atom_Count	10
23236224	Undefined_Bond_Stereo_Count	0
88045	Hydrogen_Bond_Donor_Count	9
10310138	Structure_Complexity	632
442504	Hydrogen_Bond_Donor_Count	0
4409936	Hydrogen_Bond_Donor_Count	0
859783	Undefined_Bond_Stereo_Count	0
94154	Undefined_Atom_Stereo_Count	0
76223940	TPSA	21.9
11077530	TPSA	86
90427261	Non-hydrogen_Atom_Count	8
67975127	Undefined_Bond_Stereo_Count	0
11749858	Exact_Mass	397.16377084
139079642	Hydrogen_Bond_Acceptor_Count	1
10345214	Hydrogen_Bond_Donor_Count	3
3062280	Undefined_Bond_Stereo_Count	0
519103	Non-hydrogen_Atom_Count	18
702695	Undefined_Bond_Stereo_Count	0
866430	Undefined_Atom_Stereo_Count	0
148821664	Structure_Complexity	127
402875	Defined_Bond_Stereo_Count	0
5763	Molecular_Weight	347.9
67330085	Isotope_Atom_Count	0
139906410	Rotatable_Bond_Count	1
94617	Isotope_Atom_Count	0
29778	Hydrogen_Bond_Donor_Count	1
89273	Total_Formal_Charge	0
12745213	Non-hydrogen_Atom_Count	8
76715077	Covalent_Unit_Count	1
4277439	Hydrogen_Bond_Donor_Count	1
13794994	Structure_Complexity	149
98051218	Undefined_Atom_Stereo_Count	0
70722	Structure_Complexity	114
102657	Undefined_Bond_Stereo_Count	0
398678	Isotope_Atom_Count	0
11077077	Undefined_Atom_Stereo_Count	0
24825253	Undefined_Bond_Stereo_Count	0
17904790	Rotatable_Bond_Count	1
2734398	Undefined_Bond_Stereo_Count	0
13190	Exact_Mass	154.172150702
1091	Hydrogen_Bond_Donor_Count	2
13578	Defined_Atom_Stereo_Count	0
2283	Undefined_Atom_Stereo_Count	15
4053	Structure_Complexity	265
59966656	Undefined_Atom_Stereo_Count	2
6450531	TPSA	179
77064	Hydrogen_Bond_Acceptor_Count	2
20557721	Hydrogen_Bond_Donor_Count	3
49798507	Defined_Atom_Stereo_Count	0
28213	Undefined_Bond_Stereo_Count	0
30930	Undefined_Atom_Stereo_Count	0
16322	Undefined_Bond_Stereo_Count	0
9543026	TPSA	389
75810	TPSA	55.1
88454	TPSA	26.3
6540262	Molecular_Weight	98.15
53930639	Exact_Mass	193.121512110
3711576	Molecular_Weight	293.44
5282484	Undefined_Atom_Stereo_Count	0
19782729	XLogP3-AA	0.4
5312137	Total_Formal_Charge	0
91003779	Undefined_Bond_Stereo_Count	0
63099	TPSA	0
1382042	Isotope_Atom_Count	0
135423438	Undefined_Bond_Stereo_Count	0
5326161	Undefined_Bond_Stereo_Count	0
61375	Defined_Atom_Stereo_Count	0
157917	Molecular_Weight	648.2
12270070	Mono_Isotopic_Weight	87.068413911
13609	TPSA	0
75579	Hydrogen_Bond_Donor_Count	0
78220	Non-hydrogen_Atom_Count	12
180098	Defined_Atom_Stereo_Count	2
19543	Covalent_Unit_Count	1
22878123	Structure_Complexity	250
136247302	Exact_Mass	391.262362685
35654	Structure_Complexity	472
10484815	Mono_Isotopic_Weight	694.31870834
13400858	Defined_Atom_Stereo_Count	0
82467716	Undefined_Bond_Stereo_Count	0
91259187	Exact_Mass	94.078250319
316724	Molecular_Weight	240.30
10796	Tautomer_Count	1
49652	Undefined_Atom_Stereo_Count	0
8006	Defined_Bond_Stereo_Count	0
53384391	Exact_Mass	1456.4334786
56666736	Covalent_Unit_Count	1
23294	Structure_Complexity	53.6
3763454	Undefined_Atom_Stereo_Count	1
56843898	Molecular_Weight	418.3
71112644	Total_Formal_Charge	0
549253	Isotope_Atom_Count	0
24865620	XLogP3-AA	5.9
447980	TPSA	57.7
55286629	Mono_Isotopic_Weight	96.068748264
13792373	Hydrogen_Bond_Acceptor_Count	2
21608018	Isotope_Atom_Count	0
397053	Rotatable_Bond_Count	4
8748	Molecular_Weight	154.25
69912	Isotope_Atom_Count	0
95438	Rotatable_Bond_Count	3
11208	TPSA	12.5
134693234	Total_Formal_Charge	0
114840	Structure_Complexity	317
16158103	Undefined_Bond_Stereo_Count	0
447466	Isotope_Atom_Count	0
135487856	Hydrogen_Bond_Donor_Count	2
9235	Tautomer_Count	1
5392139	Non-hydrogen_Atom_Count	15
544591	Hydrogen_Bond_Acceptor_Count	0
102234473	Defined_Bond_Stereo_Count	0
5477635	Tautomer_Count	3
529212	Total_Formal_Charge	0
90936519	Structure_Complexity	2330
23616699	Hydrogen_Bond_Acceptor_Count	5
11378723	Hydrogen_Bond_Donor_Count	0
23695767	Defined_Atom_Stereo_Count	3
11336492	Mono_Isotopic_Weight	330.0270564
9835049	Defined_Bond_Stereo_Count	0
102601697	Undefined_Bond_Stereo_Count	0
55289397	Non-hydrogen_Atom_Count	7
9866186	TPSA	57.5
26093	Structure_Complexity	361
138621	Defined_Atom_Stereo_Count	0
55463	Structure_Complexity	585
135471308	Structure_Complexity	257
16683028	Tautomer_Count	1
19802062	Exact_Mass	101.047678466
548945	Hydrogen_Bond_Donor_Count	0
101938021	Non-hydrogen_Atom_Count	18
11249342	Defined_Atom_Stereo_Count	2
8699	Defined_Atom_Stereo_Count	0
10582477	Molecular_Weight	223.23
26185	Molecular_Weight	238.24
12097375	Undefined_Atom_Stereo_Count	1
41556	Rotatable_Bond_Count	2
16421	TPSA	96.4
148335	Defined_Bond_Stereo_Count	0
3793939	Molecular_Weight	202.00
24096961	Tautomer_Count	1
718862	Defined_Atom_Stereo_Count	0
18622355	Non-hydrogen_Atom_Count	8
88336	Rotatable_Bond_Count	0
5365247	Undefined_Atom_Stereo_Count	0
10486803	Isotope_Atom_Count	0
74077706	Isotope_Atom_Count	0
23616857	Defined_Bond_Stereo_Count	0
57750418	Defined_Atom_Stereo_Count	0
9887712	Covalent_Unit_Count	1
6420041	Molecular_Weight	408.2
565674	Mono_Isotopic_Weight	180.151415257
5460037	Non-hydrogen_Atom_Count	34
51026956	Undefined_Bond_Stereo_Count	0
84531	Tautomer_Count	1
27428	Defined_Atom_Stereo_Count	0
5167	Hydrogen_Bond_Acceptor_Count	5
11420	Non-hydrogen_Atom_Count	8
2590	Total_Formal_Charge	0
40549	Undefined_Bond_Stereo_Count	0
101926676	Molecular_Weight	332.31
90725416	Mono_Isotopic_Weight	904.44565070
72199381	Structure_Complexity	558
69334703	Structure_Complexity	65.1
123415454	Exact_Mass	97.089149355
23678802	Covalent_Unit_Count	2
3000516	Mono_Isotopic_Weight	378.11668211
5799	Molecular_Weight	204.23
8304	Non-hydrogen_Atom_Count	13
645691	Undefined_Atom_Stereo_Count	0
118917438	Non-hydrogen_Atom_Count	8
139001	Tautomer_Count	2
89504167	Structure_Complexity	284
565391	Hydrogen_Bond_Acceptor_Count	0
5494414	Isotope_Atom_Count	0
23672325	Covalent_Unit_Count	2
519200	TPSA	18.5
135452521	Structure_Complexity	1720
6708701	Undefined_Atom_Stereo_Count	2
45738	TPSA	9.2
129606990	TPSA	239
6918939	Defined_Bond_Stereo_Count	0
15992306	Covalent_Unit_Count	1
10941315	Isotope_Atom_Count	0
6713443	Rotatable_Bond_Count	1
117721	Total_Formal_Charge	0
5354133	Undefined_Bond_Stereo_Count	0
70700401	Rotatable_Bond_Count	3
9829523	Defined_Atom_Stereo_Count	4
144531850	Mono_Isotopic_Weight	109.063997236
58618581	Non-hydrogen_Atom_Count	12
1479479	Hydrogen_Bond_Donor_Count	0
83616	Structure_Complexity	224
3778	Mono_Isotopic_Weight	230.141913202
2853	Structure_Complexity	856
8257	Exact_Mass	86.073164938
9284	Hydrogen_Bond_Acceptor_Count	2
2020	Molecular_Weight	385.5
67317342	Hydrogen_Bond_Donor_Count	1
123171678	Isotope_Atom_Count	0
19596	Defined_Bond_Stereo_Count	0
71880	XLogP3-AA	2.6
443997	Rotatable_Bond_Count	4
5281067	Total_Formal_Charge	0
46889118	Undefined_Atom_Stereo_Count	0
479503	TPSA	94.8
8418	Undefined_Bond_Stereo_Count	0
26445	Tautomer_Count	1
44412343	Covalent_Unit_Count	1
443936	Defined_Atom_Stereo_Count	8
446080	Undefined_Bond_Stereo_Count	0
3074827	Tautomer_Count	2
449343	Hydrogen_Bond_Donor_Count	5
82418997	Hydrogen_Bond_Donor_Count	0
4205685	Total_Formal_Charge	0
177870	Hydrogen_Bond_Donor_Count	1
54108432	Exact_Mass	122.03433465
194519	Hydrogen_Bond_Donor_Count	0
413534	Hydrogen_Bond_Donor_Count	0
48654	Mono_Isotopic_Weight	261.03644
53708408	TPSA	26.3
3969	Structure_Complexity	369
68736	Non-hydrogen_Atom_Count	14
29096	Structure_Complexity	116
93348	Undefined_Atom_Stereo_Count	0
7551	Tautomer_Count	2
71773465	Non-hydrogen_Atom_Count	45
3796640	XLogP3-AA	2.9
48671	Isotope_Atom_Count	0
29029	Hydrogen_Bond_Donor_Count	4
24199313	Undefined_Bond_Stereo_Count	0
21575	Mono_Isotopic_Weight	181.03750770
81416328	Undefined_Atom_Stereo_Count	2
643497	Tautomer_Count	2
4112	Total_Formal_Charge	0
11274356	Isotope_Atom_Count	0
123690360	Undefined_Bond_Stereo_Count	0
5361	Hydrogen_Bond_Donor_Count	12
40784491	Non-hydrogen_Atom_Count	11
6956367	Rotatable_Bond_Count	2
191101	Undefined_Atom_Stereo_Count	0
63650	Hydrogen_Bond_Acceptor_Count	4
2580	Rotatable_Bond_Count	6
3898924	Hydrogen_Bond_Acceptor_Count	2
22385738	Total_Formal_Charge	0
22390912	Isotope_Atom_Count	0
14195	Isotope_Atom_Count	0
1707	Isotope_Atom_Count	0
6992788	Hydrogen_Bond_Donor_Count	1
3001662	Defined_Bond_Stereo_Count	0
18950548	Structure_Complexity	80.1
16051969	TPSA	526
448222	Molecular_Weight	308.29
10636633	Isotope_Atom_Count	0
62705689	Total_Formal_Charge	0
87712	Total_Formal_Charge	0
153791162	Rotatable_Bond_Count	1
50857	Hydrogen_Bond_Donor_Count	2
596935	Molecular_Weight	221.32
30143	Defined_Bond_Stereo_Count	0
519112	Mono_Isotopic_Weight	600.14924298
656587	Total_Formal_Charge	0
7529	Undefined_Atom_Stereo_Count	0
98648	TPSA	92.4
163090691	Mono_Isotopic_Weight	842.51400504
135409548	Molecular_Weight	327.29
7432	Undefined_Atom_Stereo_Count	0
139087064	Mono_Isotopic_Weight	172.03804273
54758599	TPSA	751
71899	Total_Formal_Charge	0
1897	Isotope_Atom_Count	0
6537213	Non-hydrogen_Atom_Count	33
24840945	Exact_Mass	127.099714038
475318	Hydrogen_Bond_Donor_Count	1
16211195	Defined_Atom_Stereo_Count	4
133268492	Total_Formal_Charge	0
63959	Defined_Atom_Stereo_Count	0
60196384	Isotope_Atom_Count	0
44562492	Mono_Isotopic_Weight	389.10856464
24867851	Hydrogen_Bond_Donor_Count	1
3083585	Isotope_Atom_Count	0
25171876	Molecular_Weight	364.4
14270	Undefined_Atom_Stereo_Count	0
70690020	TPSA	68.2
5320547	Covalent_Unit_Count	1
5379102	Total_Formal_Charge	0
69684	Mono_Isotopic_Weight	142.110613074
132327702	Undefined_Bond_Stereo_Count	0
6919051	Covalent_Unit_Count	1
44338843	TPSA	151
91773	XLogP3	3.9
11706282	Undefined_Atom_Stereo_Count	0
12628168	Mono_Isotopic_Weight	112.088815002
2763788	Non-hydrogen_Atom_Count	16
19100324	Hydrogen_Bond_Donor_Count	1
25526	XLogP3-AA	4.2
448285	Undefined_Atom_Stereo_Count	0
26710	Defined_Bond_Stereo_Count	0
5463081	Exact_Mass	120.093900383
97994	Non-hydrogen_Atom_Count	13
81226	Exact_Mass	119.02185764
5352621	Exact_Mass	277.183049738
48654	Isotope_Atom_Count	0
16218742	Total_Formal_Charge	0
721	Total_Formal_Charge	0
10074640	Tautomer_Count	48
3066538	Undefined_Bond_Stereo_Count	0
23727981	Molecular_Weight	241.25
26613	Total_Formal_Charge	0
6040503	Undefined_Atom_Stereo_Count	0
41114	Isotope_Atom_Count	0
537148	TPSA	12.5
6278	XLogP3-AA	2.4
91461198	Covalent_Unit_Count	1
74231	Hydrogen_Bond_Donor_Count	0
11731903	Tautomer_Count	1
60152109	Molecular_Weight	691.0
4722579	Undefined_Atom_Stereo_Count	0
135409387	Hydrogen_Bond_Donor_Count	1
4767	Structure_Complexity	512
146689208	Defined_Atom_Stereo_Count	0
5324560	Defined_Atom_Stereo_Count	0
136649	Mono_Isotopic_Weight	108.093900383
129696925	Total_Formal_Charge	0
7812	Defined_Bond_Stereo_Count	0
21908476	Hydrogen_Bond_Donor_Count	1
9928181	Hydrogen_Bond_Donor_Count	3
129859529	TPSA	20.3
61474	Defined_Atom_Stereo_Count	0
79425	Tautomer_Count	1
54574891	Undefined_Bond_Stereo_Count	1
68022407	Hydrogen_Bond_Donor_Count	0
74517	Tautomer_Count	1
54545143	Hydrogen_Bond_Acceptor_Count	1
73306	Undefined_Atom_Stereo_Count	0
6364671	Isotope_Atom_Count	0
115234	Hydrogen_Bond_Donor_Count	1
12472	Defined_Atom_Stereo_Count	0
6096946	Exact_Mass	147.99763447
102752	Undefined_Atom_Stereo_Count	1
90561	Tautomer_Count	7
70580528	Molecular_Weight	378.4
119828	Undefined_Atom_Stereo_Count	0
134688993	TPSA	74.6
39722	Molecular_Weight	255.74
129669570	TPSA	125
16134410	Covalent_Unit_Count	1
5362124	Defined_Bond_Stereo_Count	0
3085416	Molecular_Weight	875.1
88889699	Total_Formal_Charge	0
8766	Undefined_Bond_Stereo_Count	0
235700	XLogP3-AA	1.6
408536	Molecular_Weight	512.6
12271346	Hydrogen_Bond_Acceptor_Count	1
57055230	Exact_Mass	103.063328530
12962854	Hydrogen_Bond_Donor_Count	0
6917985	Structure_Complexity	409
83681	TPSA	0
114781	Undefined_Atom_Stereo_Count	0
12658877	TPSA	9.2
18428533	Covalent_Unit_Count	1
1422	Hydrogen_Bond_Acceptor_Count	5
14325610	Isotope_Atom_Count	0
688451	Isotope_Atom_Count	0
9116	Defined_Atom_Stereo_Count	0
5237	TPSA	37.3
21696199	Undefined_Bond_Stereo_Count	0
2734040	Defined_Atom_Stereo_Count	0
139060830	Mono_Isotopic_Weight	269.116426730
718618	Hydrogen_Bond_Acceptor_Count	4
546717	Non-hydrogen_Atom_Count	13
227085	Rotatable_Bond_Count	2
636750	Hydrogen_Bond_Donor_Count	0
166754	Tautomer_Count	4
22749	XLogP3-AA	2
60946	Hydrogen_Bond_Acceptor_Count	8
6436219	Structure_Complexity	634
66093	Rotatable_Bond_Count	4
439570	Tautomer_Count	5
82141	Tautomer_Count	1
446600	Undefined_Bond_Stereo_Count	0
40813	Mono_Isotopic_Weight	272.09094026
1385	Mono_Isotopic_Weight	355.0645069
186003	Isotope_Atom_Count	0
147285	Defined_Bond_Stereo_Count	0
839431	Structure_Complexity	365
57104	Total_Formal_Charge	0
70695343	XLogP3-AA	3.9
106999	Undefined_Bond_Stereo_Count	0
89082395	Covalent_Unit_Count	1
11884	TPSA	0
649230	Molecular_Weight	424.4
2723770	Non-hydrogen_Atom_Count	8
364704	Hydrogen_Bond_Acceptor_Count	6
66026334	Rotatable_Bond_Count	3
10756746	Hydrogen_Bond_Acceptor_Count	6
71455278	Isotope_Atom_Count	0
135398670	Hydrogen_Bond_Acceptor_Count	5
49798415	Covalent_Unit_Count	1
12171	Structure_Complexity	73.3
9872438	Hydrogen_Bond_Acceptor_Count	9
54713659	Tautomer_Count	6
9862076	Rotatable_Bond_Count	3
616236	Tautomer_Count	12
70719	Structure_Complexity	74.9
4571	Undefined_Bond_Stereo_Count	0
9871074	XLogP3-AA	3.7
9825084	Hydrogen_Bond_Donor_Count	0
100964856	XLogP3-AA	0.1
245005	XLogP3-AA	0.3
69110	Hydrogen_Bond_Donor_Count	0
83517	Isotope_Atom_Count	0
13432441	Hydrogen_Bond_Donor_Count	2
5486198	Non-hydrogen_Atom_Count	17
57288387	TPSA	110
3383476	Molecular_Weight	465.4
21246587	Defined_Bond_Stereo_Count	1
44629601	Defined_Atom_Stereo_Count	2
3011527	Non-hydrogen_Atom_Count	26
81836	Undefined_Atom_Stereo_Count	0
20559620	Isotope_Atom_Count	0
6554040	Defined_Atom_Stereo_Count	3
1249	Defined_Atom_Stereo_Count	0
24839546	Mono_Isotopic_Weight	420.13550766
16642494	Hydrogen_Bond_Acceptor_Count	2
11519741	Undefined_Atom_Stereo_Count	0
54345713	Mono_Isotopic_Weight	100.052429494
6427	Hydrogen_Bond_Acceptor_Count	2
11350631	XLogP3-AA	5.4
129693502	Hydrogen_Bond_Donor_Count	8
5610	Defined_Atom_Stereo_Count	0
92180	Hydrogen_Bond_Donor_Count	2
416	Tautomer_Count	2
24824	Undefined_Bond_Stereo_Count	0
5407	Defined_Bond_Stereo_Count	0
53420227	TPSA	40.5
5464027	Tautomer_Count	3
21777	Molecular_Weight	211.73
38253	Non-hydrogen_Atom_Count	17
131842090	Covalent_Unit_Count	4
13045210	Defined_Bond_Stereo_Count	0
13396127	Total_Formal_Charge	0
118719297	Covalent_Unit_Count	1
1808	Undefined_Bond_Stereo_Count	0
972025	Non-hydrogen_Atom_Count	20
44412343	Hydrogen_Bond_Donor_Count	2
35076	Non-hydrogen_Atom_Count	19
46236925	Defined_Bond_Stereo_Count	0
135398721	Total_Formal_Charge	0
18818	Hydrogen_Bond_Donor_Count	0
11337	Hydrogen_Bond_Donor_Count	6
11309477	TPSA	9.2
32816	Isotope_Atom_Count	0
23663973	Molecular_Weight	255.23
10975445	Non-hydrogen_Atom_Count	8
4489	Undefined_Atom_Stereo_Count	19
3603	Structure_Complexity	363
56928080	Non-hydrogen_Atom_Count	39
4426	Exact_Mass	445.20015635
101203296	Hydrogen_Bond_Acceptor_Count	1
20253250	Covalent_Unit_Count	1
588352	Rotatable_Bond_Count	7
67075765	Hydrogen_Bond_Donor_Count	0
5403	Defined_Bond_Stereo_Count	0
2156	XLogP3	7.6
9926054	TPSA	68.2
183	Undefined_Bond_Stereo_Count	10
11269	Mono_Isotopic_Weight	114.140850574
544861	XLogP3-AA	0.9
17819	Tautomer_Count	13
82472	Undefined_Atom_Stereo_Count	0
36744	Total_Formal_Charge	0
12088	Rotatable_Bond_Count	2
12248932	Molecular_Weight	115.13
282001	Defined_Atom_Stereo_Count	0
24821094	Exact_Mass	440.19607403
2757748	Structure_Complexity	104
65919626	Rotatable_Bond_Count	1
260809	Exact_Mass	129.042593085
10080320	Hydrogen_Bond_Donor_Count	1
57972066	TPSA	190
687044	Defined_Bond_Stereo_Count	0
5312830	Hydrogen_Bond_Acceptor_Count	3
65743	Undefined_Bond_Stereo_Count	0
79081	Tautomer_Count	1
5284580	Hydrogen_Bond_Donor_Count	7
199480	Rotatable_Bond_Count	8
25780	Undefined_Atom_Stereo_Count	0
10668	TPSA	59.7
11347670	Undefined_Bond_Stereo_Count	0
21139920	Total_Formal_Charge	0
565471	Mono_Isotopic_Weight	168.115029749
119036	Exact_Mass	139.136099547
810	TPSA	389
517313	Rotatable_Bond_Count	6
3034287	Hydrogen_Bond_Donor_Count	1
76220109	Rotatable_Bond_Count	1
58907754	XLogP3-AA	2.5
18470	Hydrogen_Bond_Acceptor_Count	0
135518082	Covalent_Unit_Count	1
1097	Total_Formal_Charge	0
60712	TPSA	114
12002176	Total_Formal_Charge	0
5608	Undefined_Atom_Stereo_Count	15
49857317	Undefined_Atom_Stereo_Count	0
616172	Undefined_Atom_Stereo_Count	0
20055283	Mono_Isotopic_Weight	920.40417981
9220	Non-hydrogen_Atom_Count	9
10612	Undefined_Atom_Stereo_Count	0
81767	XLogP3-AA	0.4
15660	Non-hydrogen_Atom_Count	15
1603	TPSA	279
141429324	TPSA	21.9
14357	Structure_Complexity	269
43818	Molecular_Weight	320.9
15036	Molecular_Weight	100.16
16134395	Defined_Atom_Stereo_Count	13
135981362	XLogP3	0.4
58630	Undefined_Bond_Stereo_Count	0
49852291	Hydrogen_Bond_Acceptor_Count	6
9548595	Mono_Isotopic_Weight	426.386166214
5362115	Undefined_Bond_Stereo_Count	0
88970	Rotatable_Bond_Count	9
135492	Total_Formal_Charge	0
18954381	Covalent_Unit_Count	1
1082	Hydrogen_Bond_Acceptor_Count	9
70034488	Defined_Bond_Stereo_Count	0
5362420	XLogP3-AA	4.9
112	Molecular_Weight	213.06
20563296	Defined_Bond_Stereo_Count	0
676454	Non-hydrogen_Atom_Count	10
66620431	Structure_Complexity	246
640759	XLogP3	1.6
71140	Non-hydrogen_Atom_Count	18
71583274	Non-hydrogen_Atom_Count	33
37631	Rotatable_Bond_Count	0
5486209	Exact_Mass	197.095297364
19802062	TPSA	64.2
22096568	Mono_Isotopic_Weight	63.02684640
146795	Defined_Atom_Stereo_Count	0
226205	Isotope_Atom_Count	0
5754	Isotope_Atom_Count	0
7761	Undefined_Bond_Stereo_Count	0
5283134	Tautomer_Count	4
17460	Rotatable_Bond_Count	7
13586830	Mono_Isotopic_Weight	98.000393922
157857	Mono_Isotopic_Weight	280.92511883
125449602	Exact_Mass	114.068079557
71622385	XLogP3-AA	1.3
7428	Covalent_Unit_Count	1
10142377	Structure_Complexity	878
749823	Defined_Bond_Stereo_Count	0
101401747	Rotatable_Bond_Count	3
191468	Non-hydrogen_Atom_Count	8
54698174	Covalent_Unit_Count	3
6604438	Hydrogen_Bond_Donor_Count	4
543885	Covalent_Unit_Count	1
57563	Hydrogen_Bond_Acceptor_Count	3
383	Molecular_Weight	1158.1
66537	Molecular_Weight	212.29
56678998	TPSA	89.4
509554	Non-hydrogen_Atom_Count	27
135456161	Total_Formal_Charge	0
71720685	Undefined_Bond_Stereo_Count	0
29772	Rotatable_Bond_Count	10
54066875	Undefined_Atom_Stereo_Count	0
137944176	Mono_Isotopic_Weight	99.068413911
94459	TPSA	28.2
449293	Total_Formal_Charge	0
67387401	Defined_Atom_Stereo_Count	0
5148108	Rotatable_Bond_Count	9
60196361	Hydrogen_Bond_Acceptor_Count	2
3855171	XLogP3	0.4
668649	Structure_Complexity	435
16683012	Hydrogen_Bond_Donor_Count	15
5496862	XLogP3-AA	2.7
62300	TPSA	23.6
16683101	Rotatable_Bond_Count	3
71306404	Covalent_Unit_Count	1
10966200	Molecular_Weight	226.27
24829330	Hydrogen_Bond_Acceptor_Count	6
11054313	Rotatable_Bond_Count	2
6440940	Non-hydrogen_Atom_Count	17
5289085	Rotatable_Bond_Count	6
68363	TPSA	59
87417871	Hydrogen_Bond_Acceptor_Count	1
14352519	Hydrogen_Bond_Acceptor_Count	2
31307	Molecular_Weight	394.4
8225	Undefined_Bond_Stereo_Count	0
9589	Non-hydrogen_Atom_Count	9
246598	Defined_Bond_Stereo_Count	0
7090	Exact_Mass	162.079312947
25162926	Defined_Bond_Stereo_Count	0
72684	TPSA	36.3
139064747	Non-hydrogen_Atom_Count	24
219081	Structure_Complexity	615
86646597	Undefined_Bond_Stereo_Count	0
38989055	Rotatable_Bond_Count	6
9060	Isotope_Atom_Count	0
5362460	Total_Formal_Charge	0
366729	Structure_Complexity	323
88861581	XLogP3-AA	1.2
62281	Structure_Complexity	418
39874	Isotope_Atom_Count	0
564751	Molecular_Weight	231.33
77797	Undefined_Atom_Stereo_Count	0
154081039	Hydrogen_Bond_Donor_Count	0
25023855	Isotope_Atom_Count	0
69297	Isotope_Atom_Count	0
9853710	Structure_Complexity	1420
164135990	Total_Formal_Charge	0
570	Undefined_Bond_Stereo_Count	2
42	Exact_Mass	214.04773803
53248849	Exact_Mass	300.16379146
11655069	Mono_Isotopic_Weight	438.1016207
89518751	Mono_Isotopic_Weight	342.11621151
57057991	Defined_Atom_Stereo_Count	0
147304866	Covalent_Unit_Count	1
11396600	Covalent_Unit_Count	1
3094	Mono_Isotopic_Weight	241.276950121
34591	Defined_Bond_Stereo_Count	0
15145	Mono_Isotopic_Weight	84.057514874
13389	Undefined_Bond_Stereo_Count	0
59216333	Exact_Mass	111.043261792
17605	Non-hydrogen_Atom_Count	13
442461	Covalent_Unit_Count	1
10247670	Hydrogen_Bond_Donor_Count	1
413546	Hydrogen_Bond_Donor_Count	0
4400696	Rotatable_Bond_Count	3
59966641	Exact_Mass	416.32904526
54572926	Isotope_Atom_Count	0
8164	Hydrogen_Bond_Donor_Count	0
7762	Total_Formal_Charge	0
45116669	Hydrogen_Bond_Donor_Count	1
71346048	Hydrogen_Bond_Donor_Count	0
522002	Defined_Atom_Stereo_Count	0
6433402	Isotope_Atom_Count	0
1549016	Defined_Atom_Stereo_Count	0
110839	Hydrogen_Bond_Acceptor_Count	3
11263727	Rotatable_Bond_Count	0
24860538	Mono_Isotopic_Weight	361.875716
23676225	Tautomer_Count	2
93092	Molecular_Weight	224.39
20276	Exact_Mass	282.08445
131704225	Non-hydrogen_Atom_Count	13
544380	Non-hydrogen_Atom_Count	10
44443933	Exact_Mass	486.20492463
103446246	Rotatable_Bond_Count	1
67258976	Covalent_Unit_Count	1
15322	Isotope_Atom_Count	0
123671885	Covalent_Unit_Count	1
22602664	Mono_Isotopic_Weight	109.052763847
240817	Hydrogen_Bond_Acceptor_Count	1
15976	Total_Formal_Charge	0
522287	Isotope_Atom_Count	0
9319	Mono_Isotopic_Weight	285.17625028
74062	Rotatable_Bond_Count	0
85217	Rotatable_Bond_Count	2
133688938	Defined_Bond_Stereo_Count	2
10747	Isotope_Atom_Count	0
70697627	Exact_Mass	1457.7262706
90936519	Rotatable_Bond_Count	15
50587	Total_Formal_Charge	0
163934	Molecular_Weight	170.25
12517392	Undefined_Atom_Stereo_Count	0
10498206	Isotope_Atom_Count	0
7618	Tautomer_Count	1
14207546	Hydrogen_Bond_Donor_Count	1
344200	Hydrogen_Bond_Donor_Count	3
79083	Tautomer_Count	1
123664524	Molecular_Weight	114.19
146158371	Hydrogen_Bond_Acceptor_Count	10
2244	Molecular_Weight	180.16
135484549	TPSA	184
119085356	Covalent_Unit_Count	1
3036746	Hydrogen_Bond_Donor_Count	1
13860942	Hydrogen_Bond_Acceptor_Count	3
90369	Defined_Atom_Stereo_Count	0
54023646	Undefined_Atom_Stereo_Count	1
790	Structure_Complexity	190
132598553	TPSA	27.6
15352	Tautomer_Count	1
12933420	Rotatable_Bond_Count	0
12702413	Isotope_Atom_Count	0
54557	Covalent_Unit_Count	1
102146	Exact_Mass	316.240230259
1483	Undefined_Bond_Stereo_Count	0
241	Non-hydrogen_Atom_Count	6
546453	Exact_Mass	494.2235301
317852	Defined_Atom_Stereo_Count	0
5364509	Non-hydrogen_Atom_Count	21
24180873	Mono_Isotopic_Weight	666.70029
11350701	Defined_Bond_Stereo_Count	0
18736304	Hydrogen_Bond_Acceptor_Count	0
333850	Non-hydrogen_Atom_Count	16
12124007	Defined_Bond_Stereo_Count	0
31811	Non-hydrogen_Atom_Count	16
9901617	Molecular_Weight	320.3
55290897	Mono_Isotopic_Weight	93.021463719
10233356	Mono_Isotopic_Weight	657.19428341
129010338	Mono_Isotopic_Weight	416.32904526
4336	Mono_Isotopic_Weight	381.23376515
146158974	Undefined_Atom_Stereo_Count	8
61055	Defined_Bond_Stereo_Count	0
10276115	Rotatable_Bond_Count	8
13418386	Mono_Isotopic_Weight	112.100048391
1883	Defined_Bond_Stereo_Count	0
53319741	Rotatable_Bond_Count	3
639643	Isotope_Atom_Count	0
73759973	Molecular_Weight	544.5
147246726	Total_Formal_Charge	0
18696583	Molecular_Weight	102.18
21428	Defined_Bond_Stereo_Count	0
11460	Undefined_Bond_Stereo_Count	0
44190553	Molecular_Weight	280.37
123892691	Rotatable_Bond_Count	1
19208	Covalent_Unit_Count	1
118379	Defined_Atom_Stereo_Count	0
44629585	Exact_Mass	537.38046644
4438527	Molecular_Weight	679.0
10772947	Total_Formal_Charge	0
71459117	Defined_Atom_Stereo_Count	0
11604525	Hydrogen_Bond_Acceptor_Count	6
138148	Molecular_Weight	100.16
11374717	Defined_Atom_Stereo_Count	1
3832	Molecular_Weight	347.33
3831985	Molecular_Weight	440.6
6642	Structure_Complexity	235
2781343	Exact_Mass	230.9312403
472946	Isotope_Atom_Count	0
21943991	Undefined_Atom_Stereo_Count	1
154517172	XLogP3-AA	1
71676045	Molecular_Weight	390.4
40240	Undefined_Atom_Stereo_Count	0
56430	Isotope_Atom_Count	0
757435	Exact_Mass	343.1339066
11974215	Defined_Atom_Stereo_Count	0
87609775	Defined_Atom_Stereo_Count	2
56621335	Mono_Isotopic_Weight	86.084398327
498650	Total_Formal_Charge	0
10405144	Structure_Complexity	243
50009	Undefined_Atom_Stereo_Count	0
27119	Non-hydrogen_Atom_Count	14
6906	Hydrogen_Bond_Acceptor_Count	0
7098663	Undefined_Bond_Stereo_Count	0
91364344	Defined_Atom_Stereo_Count	0
69632	Undefined_Bond_Stereo_Count	0
53316386	Non-hydrogen_Atom_Count	36
65495	Hydrogen_Bond_Acceptor_Count	5
24883860	Non-hydrogen_Atom_Count	156
709430	Mono_Isotopic_Weight	267.09291458
20848	Mono_Isotopic_Weight	345.09945651
54368096	Non-hydrogen_Atom_Count	7
3845	Undefined_Bond_Stereo_Count	0
145705672	Hydrogen_Bond_Donor_Count	4
9570092	TPSA	57.9
38040	Exact_Mass	291.919411
25101755	Defined_Atom_Stereo_Count	0
66813453	Undefined_Bond_Stereo_Count	0
1149	Covalent_Unit_Count	1
92979	Undefined_Atom_Stereo_Count	0
10877079	Structure_Complexity	93.4
66813453	Molecular_Weight	101.10
216325	Hydrogen_Bond_Donor_Count	2
9290	Hydrogen_Bond_Donor_Count	10
14309	Exact_Mass	341.010163
5280378	TPSA	55.8
137018	Covalent_Unit_Count	1
11116296	Undefined_Atom_Stereo_Count	2
107915	Tautomer_Count	1
133082588	Hydrogen_Bond_Donor_Count	2
9955951	Hydrogen_Bond_Donor_Count	3
56626310	Isotope_Atom_Count	0
154016567	Defined_Bond_Stereo_Count	0
23158108	Hydrogen_Bond_Acceptor_Count	1
135398570	Structure_Complexity	616
4306558	Exact_Mass	667.19365419
73984	Defined_Atom_Stereo_Count	0
12816253	Undefined_Bond_Stereo_Count	0
27582	XLogP3	3.5
5365327	Structure_Complexity	79.8
12240030	Isotope_Atom_Count	0
136585	Defined_Bond_Stereo_Count	0
59761113	Non-hydrogen_Atom_Count	7
180098	Tautomer_Count	18
421876	Isotope_Atom_Count	0
521928	Structure_Complexity	635
9723	Mono_Isotopic_Weight	278.17427596
67970	Hydrogen_Bond_Acceptor_Count	2
5353355	Non-hydrogen_Atom_Count	23
692135	Defined_Atom_Stereo_Count	1
6923346	XLogP3	1.7
75049	Hydrogen_Bond_Donor_Count	1
138394156	Undefined_Bond_Stereo_Count	0
71311162	Structure_Complexity	385
6694	Non-hydrogen_Atom_Count	34
153655135	Hydrogen_Bond_Donor_Count	2
56631355	Structure_Complexity	120
15748	XLogP3-AA	2.5
5327159	XLogP3-AA	3.3
48080	Defined_Atom_Stereo_Count	0
49852403	Non-hydrogen_Atom_Count	91
288549	TPSA	55.4
946918	Molecular_Weight	301.30
24891699	Hydrogen_Bond_Acceptor_Count	6
20705517	TPSA	3
627458	Defined_Atom_Stereo_Count	0
49792792	Defined_Atom_Stereo_Count	0
14895678	Exact_Mass	75.068413911
13265823	Molecular_Weight	106.12
6917698	Exact_Mass	465.1830623
134129158	TPSA	77.6
146156882	Defined_Atom_Stereo_Count	5
87592747	Mono_Isotopic_Weight	113.084063974
30085	Undefined_Atom_Stereo_Count	0
5702096	XLogP3	3.3
657302	Structure_Complexity	356
57486971	TPSA	23.8
3906961	Mono_Isotopic_Weight	201.98101840
198236	Undefined_Atom_Stereo_Count	0
10478	Isotope_Atom_Count	0
5283324	Mono_Isotopic_Weight	126.104465066
6410734	Rotatable_Bond_Count	6
2063927	Covalent_Unit_Count	1
12560	Undefined_Atom_Stereo_Count	0
89143818	Covalent_Unit_Count	1
86811213	TPSA	49.8
36273	Rotatable_Bond_Count	3
164695	Defined_Bond_Stereo_Count	0
59791	Covalent_Unit_Count	1
31762	Total_Formal_Charge	0
8449	Undefined_Bond_Stereo_Count	0
37366	Undefined_Atom_Stereo_Count	0
13144653	Defined_Bond_Stereo_Count	0
71301229	Molecular_Weight	754.6
59819	Undefined_Atom_Stereo_Count	1
65979	Hydrogen_Bond_Donor_Count	2
72823952	TPSA	40.5
129696858	Hydrogen_Bond_Acceptor_Count	8
12962	TPSA	46.3
34676237	Hydrogen_Bond_Donor_Count	1
70688017	Isotope_Atom_Count	0
6440728	Hydrogen_Bond_Acceptor_Count	3
85821	Mono_Isotopic_Weight	296.225248902
129539	Structure_Complexity	412
449424	Defined_Bond_Stereo_Count	0
23422064	Non-hydrogen_Atom_Count	12
9828911	Structure_Complexity	904
57401682	Isotope_Atom_Count	0
123935	Exact_Mass	217.10625597
58936	Exact_Mass	289.1345753
23684339	Tautomer_Count	1
3317081	Tautomer_Count	1
62445	TPSA	26.3
9817381	Isotope_Atom_Count	0
408714	Isotope_Atom_Count	0
752860	Total_Formal_Charge	0
62882	Isotope_Atom_Count	0
763	Covalent_Unit_Count	1
1028	Total_Formal_Charge	0
10967	Tautomer_Count	1
68343260	Undefined_Bond_Stereo_Count	0
73082918	Total_Formal_Charge	0
12087	Total_Formal_Charge	0
118451841	Rotatable_Bond_Count	0
34359	Rotatable_Bond_Count	4
88705879	Covalent_Unit_Count	1
11007849	Molecular_Weight	112.17
448601	Defined_Bond_Stereo_Count	0
11396600	Hydrogen_Bond_Donor_Count	2
444025	Structure_Complexity	882
237041	Hydrogen_Bond_Donor_Count	1
9931156	Exact_Mass	406.14411864
21778241	Covalent_Unit_Count	1
54679016	Mono_Isotopic_Weight	373.22530847
61908225	Undefined_Atom_Stereo_Count	1
691156	Defined_Bond_Stereo_Count	0
90488866	Covalent_Unit_Count	4
296464	Rotatable_Bond_Count	3
12602	Structure_Complexity	280
297618	Isotope_Atom_Count	0
8204	Covalent_Unit_Count	1
77442653	Rotatable_Bond_Count	0
15432	TPSA	159
440997	Molecular_Weight	259.15
21027022	Non-hydrogen_Atom_Count	7
4668	TPSA	37.3
2782896	Undefined_Bond_Stereo_Count	0
11748	Hydrogen_Bond_Acceptor_Count	3
85960	Rotatable_Bond_Count	11
10975462	Structure_Complexity	70.1
5277135	Tautomer_Count	1
42754	Molecular_Weight	254.12
57091294	Hydrogen_Bond_Donor_Count	1
706054	Exact_Mass	278.153146591
544553	TPSA	43.4
688938	Structure_Complexity	394
78090	Tautomer_Count	1
10798	Hydrogen_Bond_Acceptor_Count	1
12444324	Exact_Mass	136.125200510
139355316	Exact_Mass	342.11621151
526	TPSA	365
74068	Isotope_Atom_Count	0
40100	TPSA	144
22380788	Covalent_Unit_Count	1
443944	Rotatable_Bond_Count	5
58181522	Hydrogen_Bond_Donor_Count	2
16229	Mono_Isotopic_Weight	385.21138974
517414	Structure_Complexity	231
54587759	Structure_Complexity	437
3126	Hydrogen_Bond_Donor_Count	3
118360420	Total_Formal_Charge	0
64972	Rotatable_Bond_Count	2
136893	Covalent_Unit_Count	1
19220	TPSA	20.3
10870	Tautomer_Count	1
56841628	Undefined_Bond_Stereo_Count	0
101808860	TPSA	20.2
39528	Non-hydrogen_Atom_Count	19
12613538	Total_Formal_Charge	0
12842606	Non-hydrogen_Atom_Count	7
81102	Exact_Mass	236.14124450
154112533	Defined_Atom_Stereo_Count	0
11987858	Mono_Isotopic_Weight	99.032028402
153448834	Mono_Isotopic_Weight	284.16237386
19474	Rotatable_Bond_Count	0
11115	Exact_Mass	236.152477885
53894233	Isotope_Atom_Count	0
2633	TPSA	304
160332	Exact_Mass	287.058243149
90983133	Structure_Complexity	77.2
21336123	Isotope_Atom_Count	0
9830667	Hydrogen_Bond_Donor_Count	3
49865963	Defined_Atom_Stereo_Count	7
12394846	Total_Formal_Charge	0
12248518	Hydrogen_Bond_Donor_Count	0
5249	XLogP3-AA	6.2
1701	Molecular_Weight	203.24
13808253	Exact_Mass	100.052429494
85773920	Undefined_Atom_Stereo_Count	2
8446	Exact_Mass	149.02992040
16219567	Non-hydrogen_Atom_Count	23
21694866	Hydrogen_Bond_Donor_Count	1
34755	Defined_Atom_Stereo_Count	5
616632	Undefined_Bond_Stereo_Count	0
16659838	Defined_Atom_Stereo_Count	1
73115	Structure_Complexity	413
176077	Structure_Complexity	132
16079005	Isotope_Atom_Count	0
444972	Covalent_Unit_Count	1
102348331	Hydrogen_Bond_Acceptor_Count	2
25612	Mono_Isotopic_Weight	156.151415257
162918373	Exact_Mass	1201.84136802
15180	Non-hydrogen_Atom_Count	17
141096113	Exact_Mass	116.083729621
3570	Covalent_Unit_Count	1
54025111	Structure_Complexity	92
121246104	TPSA	26.3
5481119	Defined_Bond_Stereo_Count	0
66063	Hydrogen_Bond_Donor_Count	1
15788279	Undefined_Bond_Stereo_Count	0
56840998	Exact_Mass	418.013115
78452	Tautomer_Count	1
1549065	Structure_Complexity	426
43704	Defined_Atom_Stereo_Count	0
57384039	Isotope_Atom_Count	0
68986	Non-hydrogen_Atom_Count	6
25352	Total_Formal_Charge	0
7473	Structure_Complexity	122
7067874	Defined_Atom_Stereo_Count	5
53681289	Exact_Mass	102.079312947
445929	Undefined_Atom_Stereo_Count	0
165359778	TPSA	17.1
549240	TPSA	21.9
5488548	Hydrogen_Bond_Acceptor_Count	5
54151808	Undefined_Bond_Stereo_Count	0
12741	Isotope_Atom_Count	0
763244	Total_Formal_Charge	0
2906	Non-hydrogen_Atom_Count	6
9006	Structure_Complexity	108
5801	Isotope_Atom_Count	0
12101	Defined_Bond_Stereo_Count	0
39503	TPSA	42
97105	Covalent_Unit_Count	1
14223	Defined_Bond_Stereo_Count	0
528917	Hydrogen_Bond_Acceptor_Count	2
24832091	Molecular_Weight	454.5
583337	Exact_Mass	177.078978594
24672	Exact_Mass	432.99260866
54231313	Undefined_Bond_Stereo_Count	0
83782	Undefined_Atom_Stereo_Count	0
10893439	Undefined_Bond_Stereo_Count	0
3246941	Mono_Isotopic_Weight	297.19400834
10997012	Molecular_Weight	118.13
29761	Rotatable_Bond_Count	11
101567485	Rotatable_Bond_Count	2
72854	Defined_Bond_Stereo_Count	0
91826482	Mono_Isotopic_Weight	444.0906928
91972121	Molecular_Weight	1345.4
12364760	Hydrogen_Bond_Acceptor_Count	1
3357	Covalent_Unit_Count	1
91412269	Structure_Complexity	262
2608576	Non-hydrogen_Atom_Count	22
5639	TPSA	68.4
21634	Undefined_Bond_Stereo_Count	0
53909396	Mono_Isotopic_Weight	88.052429494
135472946	Undefined_Atom_Stereo_Count	0
130152397	Hydrogen_Bond_Acceptor_Count	2
76956848	Exact_Mass	249.1284273
354578	Covalent_Unit_Count	1
725300	TPSA	98.8
62398142	Hydrogen_Bond_Donor_Count	1
31393	Exact_Mass	377.786786
155448	Structure_Complexity	263
439165	TPSA	157
67258371	Hydrogen_Bond_Acceptor_Count	3
45358438	Total_Formal_Charge	0
593843	Hydrogen_Bond_Acceptor_Count	3
60056	Rotatable_Bond_Count	7
40512	Mono_Isotopic_Weight	216.14739250
49865784	Structure_Complexity	451
56928187	Non-hydrogen_Atom_Count	17
12870232	TPSA	20.2
543565	Undefined_Bond_Stereo_Count	0
6995013	Defined_Atom_Stereo_Count	1
82650946	Non-hydrogen_Atom_Count	8
222714	Undefined_Atom_Stereo_Count	1
95200	Total_Formal_Charge	0
77991	Rotatable_Bond_Count	5
138026	Structure_Complexity	96.6
21661222	Molecular_Weight	117.10
52165	TPSA	74.8
147059143	Undefined_Atom_Stereo_Count	1
6476006	Structure_Complexity	324
12219387	Mono_Isotopic_Weight	76.0313001276
3055	Undefined_Bond_Stereo_Count	0
10322586	Molecular_Weight	472.6
139637653	Exact_Mass	101.047678466
135398558	Undefined_Bond_Stereo_Count	0
8585	Defined_Bond_Stereo_Count	0
7855	Tautomer_Count	1
6637	Defined_Bond_Stereo_Count	0
10621	Covalent_Unit_Count	1
71462510	Rotatable_Bond_Count	2
64948	Molecular_Weight	254.29
67320864	Isotope_Atom_Count	0
142119910	Exact_Mass	180.06338810
59791	Hydrogen_Bond_Donor_Count	2
8507	Undefined_Atom_Stereo_Count	0
55223	XLogP3-AA	2.6
7938	Molecular_Weight	108.14
55515	Undefined_Bond_Stereo_Count	0
146678829	TPSA	0
1437819	TPSA	37.4
11661758	Hydrogen_Bond_Donor_Count	4
181887	Defined_Atom_Stereo_Count	0
141445129	Defined_Bond_Stereo_Count	0
123642	Tautomer_Count	1
135515574	Defined_Atom_Stereo_Count	0
3085267	Defined_Atom_Stereo_Count	0
57504473	Total_Formal_Charge	0
3955344	Exact_Mass	341.98101801
15541	Covalent_Unit_Count	1
11059434	Rotatable_Bond_Count	5
90098	Molecular_Weight	237.33
9470	Hydrogen_Bond_Donor_Count	2
14337	Mono_Isotopic_Weight	215.13438547
34295	Molecular_Weight	112.19
129808802	TPSA	26
96373	Undefined_Bond_Stereo_Count	0
123924	XLogP3-AA	4.9
46241268	Total_Formal_Charge	0
582251	Defined_Bond_Stereo_Count	0
49865919	XLogP3-AA	3.6
6576	Covalent_Unit_Count	1
102	Defined_Bond_Stereo_Count	0
9970749	Exact_Mass	277.0188941
2119	Rotatable_Bond_Count	8
143034	Hydrogen_Bond_Donor_Count	0
24800211	Non-hydrogen_Atom_Count	25
54572303	Exact_Mass	112.03851076
139383946	Mono_Isotopic_Weight	112.063662883
93768	Defined_Bond_Stereo_Count	0
3664	TPSA	149
61674	Defined_Bond_Stereo_Count	0
78414	XLogP3-AA	1
735091	Non-hydrogen_Atom_Count	16
4583	Rotatable_Bond_Count	2
6921	Mono_Isotopic_Weight	179.9953623
85904461	Isotope_Atom_Count	0
91667979	XLogP3	3.3
135392883	Undefined_Atom_Stereo_Count	1
23668002	Isotope_Atom_Count	0
62751	Undefined_Atom_Stereo_Count	0
10205	Total_Formal_Charge	0
89240655	XLogP3-AA	1.1
123892631	Covalent_Unit_Count	1
145287	Non-hydrogen_Atom_Count	7
222778	Defined_Bond_Stereo_Count	0
70882	Defined_Atom_Stereo_Count	0
61867	Undefined_Atom_Stereo_Count	0
5353521	Exact_Mass	459.24210135
83635304	Undefined_Bond_Stereo_Count	0
29025	Undefined_Atom_Stereo_Count	2
60196313	Mono_Isotopic_Weight	231.162314293
72004	Defined_Atom_Stereo_Count	4
143683872	Covalent_Unit_Count	1
7219	Hydrogen_Bond_Donor_Count	0
55289386	Total_Formal_Charge	0
9887304	Covalent_Unit_Count	1
82332	Rotatable_Bond_Count	2
88314418	Non-hydrogen_Atom_Count	29
5903	Mono_Isotopic_Weight	570.25120612
65910	Molecular_Weight	558.5
23831	Undefined_Atom_Stereo_Count	0
55091	Structure_Complexity	123
5470	XLogP3-AA	2.4
8998	Mono_Isotopic_Weight	122.05790880
9966051	Molecular_Weight	298.4
6610292	Structure_Complexity	568
3794	Hydrogen_Bond_Acceptor_Count	6
12576851	Hydrogen_Bond_Acceptor_Count	3
688015	Total_Formal_Charge	0
17754438	Covalent_Unit_Count	1
100959353	Rotatable_Bond_Count	7
129761	Defined_Atom_Stereo_Count	0
53234134	Non-hydrogen_Atom_Count	45
11267	Hydrogen_Bond_Donor_Count	3
102446	TPSA	0
6416	Total_Formal_Charge	0
13973072	Covalent_Unit_Count	1
5459110	TPSA	59.1
88867195	Non-hydrogen_Atom_Count	8
157690	TPSA	143
21484	Undefined_Atom_Stereo_Count	0
57398329	Hydrogen_Bond_Acceptor_Count	9
10005402	Hydrogen_Bond_Acceptor_Count	9
46235922	Molecular_Weight	486.6
53800769	Defined_Atom_Stereo_Count	0
167517	Rotatable_Bond_Count	5
71301229	Undefined_Bond_Stereo_Count	0
91169414	Defined_Atom_Stereo_Count	0
68958	Covalent_Unit_Count	1
102967	TPSA	18.5
62760	Undefined_Atom_Stereo_Count	0
4494	Structure_Complexity	783
57250923	Molecular_Weight	110.15
44123551	Defined_Bond_Stereo_Count	1
91176619	Defined_Bond_Stereo_Count	0
12787245	Non-hydrogen_Atom_Count	7
17864	XLogP3-AA	1
21389	Mono_Isotopic_Weight	348.16985928
20325315	Total_Formal_Charge	0
11040661	Hydrogen_Bond_Acceptor_Count	2
75444	Exact_Mass	513.2910760
11788284	Hydrogen_Bond_Acceptor_Count	1
500460	Total_Formal_Charge	0
136642	Defined_Atom_Stereo_Count	0
121135	Total_Formal_Charge	0
10197619	Rotatable_Bond_Count	1
37993	Undefined_Atom_Stereo_Count	0
8854	Undefined_Atom_Stereo_Count	0
72214	Mono_Isotopic_Weight	251.10183929
10301884	XLogP3-AA	5.1
4359436	Defined_Bond_Stereo_Count	0
149164152	Structure_Complexity	136
15561851	Isotope_Atom_Count	0
153994	Non-hydrogen_Atom_Count	30
565843	Defined_Bond_Stereo_Count	0
77274	Covalent_Unit_Count	1
88489334	Undefined_Atom_Stereo_Count	0
11658655	Isotope_Atom_Count	0
5281793	Hydrogen_Bond_Acceptor_Count	10
83201	Exact_Mass	338.1163980
66783827	Defined_Bond_Stereo_Count	0
21635253	Hydrogen_Bond_Donor_Count	3
53276	Undefined_Atom_Stereo_Count	0
11417567	TPSA	68
58024825	Structure_Complexity	705
83797	Exact_Mass	84.057514874
11575878	Non-hydrogen_Atom_Count	33
79846	Hydrogen_Bond_Acceptor_Count	3
2673	XLogP3	0.4
9348	Undefined_Atom_Stereo_Count	0
90102662	Non-hydrogen_Atom_Count	8
7945	Undefined_Atom_Stereo_Count	0
11684684	Hydrogen_Bond_Donor_Count	3
87380	Mono_Isotopic_Weight	240.133427172
12200971	Mono_Isotopic_Weight	117.078978594
91981561	Molecular_Weight	481.9
78521	Mono_Isotopic_Weight	339.0444402
12431566	TPSA	20.2
25082538	Isotope_Atom_Count	0
40466884	Defined_Bond_Stereo_Count	0
46884664	Defined_Bond_Stereo_Count	0
6857536	Hydrogen_Bond_Donor_Count	0
24699	Defined_Atom_Stereo_Count	0
22628430	Molecular_Weight	97.12
12304109	Undefined_Atom_Stereo_Count	0
5723	Undefined_Atom_Stereo_Count	0
85294873	Defined_Bond_Stereo_Count	0
3715	Defined_Bond_Stereo_Count	0
13649426	Rotatable_Bond_Count	2
634493	TPSA	0
81079	Hydrogen_Bond_Donor_Count	0
80792	Undefined_Atom_Stereo_Count	0
3325	Hydrogen_Bond_Acceptor_Count	8
5731	Molecular_Weight	287.36
58890069	Undefined_Bond_Stereo_Count	0
13028028	Molecular_Weight	103.12
7408	Structure_Complexity	74.6
17756794	Covalent_Unit_Count	2
6420039	Isotope_Atom_Count	0
4914117	Undefined_Bond_Stereo_Count	0
8697	Molecular_Weight	144.21
11724027	Structure_Complexity	414
23615311	TPSA	141
9294	Structure_Complexity	121
10339178	Defined_Atom_Stereo_Count	0
79036	Mono_Isotopic_Weight	150.104465066
3264	Defined_Atom_Stereo_Count	0
13878	Undefined_Atom_Stereo_Count	0
66022	Mono_Isotopic_Weight	269.308250248
59295946	Hydrogen_Bond_Donor_Count	5
12176	Covalent_Unit_Count	1
15100753	Isotope_Atom_Count	0
44661643	Molecular_Weight	665.7
427	Undefined_Atom_Stereo_Count	2
53356659	TPSA	101
12579106	TPSA	20.2
90462	Structure_Complexity	244
137184495	Rotatable_Bond_Count	8
9907093	Structure_Complexity	710
57397810	Undefined_Bond_Stereo_Count	0
313637	Exact_Mass	269.13889351
65063	Total_Formal_Charge	0
54071	Structure_Complexity	197
5280389	Undefined_Bond_Stereo_Count	0
15239355	TPSA	46.2
56927704	Hydrogen_Bond_Acceptor_Count	12
150	Exact_Mass	229.03513872
8351	Molecular_Weight	173.25
90479798	Structure_Complexity	1940
83569	Rotatable_Bond_Count	3
23665763	Mono_Isotopic_Weight	103.95440935
19873782	Hydrogen_Bond_Acceptor_Count	4
6871212	Defined_Atom_Stereo_Count	0
23662871	Mono_Isotopic_Weight	492.01742078
163838	Tautomer_Count	3
44564107	Exact_Mass	7591.7553328
53373584	Undefined_Atom_Stereo_Count	0
13769849	Molecular_Weight	493.5
23390806	Isotope_Atom_Count	0
67811115	Molecular_Weight	114.14
50501	Defined_Bond_Stereo_Count	0
57429842	Non-hydrogen_Atom_Count	8
3016754	Rotatable_Bond_Count	7
8736	Hydrogen_Bond_Donor_Count	1
6539297	Exact_Mass	368.10554495
77302	Structure_Complexity	54.9
1053	Tautomer_Count	6
739	Structure_Complexity	155
96327587	Rotatable_Bond_Count	6
6291	XLogP3	4
2723949	TPSA	58.1
5391	Defined_Bond_Stereo_Count	0
71336	Isotope_Atom_Count	0
11287722	Tautomer_Count	3
2430	Total_Formal_Charge	0
6943688	Covalent_Unit_Count	1
36246	Isotope_Atom_Count	0
59283	TPSA	41
79104	Exact_Mass	86.073164938
167	Structure_Complexity	259
541661	Undefined_Bond_Stereo_Count	0
8419	XLogP3	1.5
71452602	Covalent_Unit_Count	1
25142176	Undefined_Atom_Stereo_Count	0
13401998	TPSA	21.3
4692	Molecular_Weight	248.32
21958	Hydrogen_Bond_Donor_Count	0
21670561	Defined_Atom_Stereo_Count	0
53584	Rotatable_Bond_Count	8
129866213	Covalent_Unit_Count	1
447377	Hydrogen_Bond_Acceptor_Count	13
56935	Hydrogen_Bond_Acceptor_Count	4
71798	Total_Formal_Charge	0
20429663	Isotope_Atom_Count	0
196672	Isotope_Atom_Count	0
25185	Structure_Complexity	170
136307	Rotatable_Bond_Count	2
785244	Defined_Atom_Stereo_Count	2
13297684	Covalent_Unit_Count	1
16669	Non-hydrogen_Atom_Count	14
53302141	Structure_Complexity	84.1
118209567	Isotope_Atom_Count	0
2826713	XLogP3-AA	16
11078406	Defined_Bond_Stereo_Count	0
24386	Defined_Atom_Stereo_Count	0
31011	Rotatable_Bond_Count	3
688015	Non-hydrogen_Atom_Count	17
6450806	Hydrogen_Bond_Donor_Count	0
10176113	Defined_Bond_Stereo_Count	0
90781811	Total_Formal_Charge	0
3033056	Structure_Complexity	122
3840	Undefined_Atom_Stereo_Count	0
49750	Hydrogen_Bond_Donor_Count	1
91881846	Undefined_Bond_Stereo_Count	0
67962	Defined_Atom_Stereo_Count	0
44401302	Rotatable_Bond_Count	9
164333	Hydrogen_Bond_Donor_Count	1
69982	Hydrogen_Bond_Acceptor_Count	3
82418959	Hydrogen_Bond_Acceptor_Count	3
94247	Non-hydrogen_Atom_Count	12
8737	Hydrogen_Bond_Donor_Count	4
6432903	Rotatable_Bond_Count	5
160269	Undefined_Atom_Stereo_Count	0
34794	TPSA	25.8
99207	Non-hydrogen_Atom_Count	31
2753	Isotope_Atom_Count	0
9811221	Structure_Complexity	1690
11598	Tautomer_Count	1
24974448	Total_Formal_Charge	0
5353439	Non-hydrogen_Atom_Count	43
19747	Mono_Isotopic_Weight	391.1714350
76922	Hydrogen_Bond_Donor_Count	0
124201453	Isotope_Atom_Count	0
54567	Exact_Mass	305.189197746
3283	Isotope_Atom_Count	0
263639	Mono_Isotopic_Weight	112.088815002
540327	Structure_Complexity	415
20475566	TPSA	9.2
10996	Covalent_Unit_Count	1
90479276	Undefined_Atom_Stereo_Count	2
8916	Mono_Isotopic_Weight	157.183049738
79783	XLogP3-AA	1.8
66708	XLogP3-AA	2
71309028	Undefined_Atom_Stereo_Count	0
5281107	Isotope_Atom_Count	0
69086581	Total_Formal_Charge	0
23130216	Defined_Bond_Stereo_Count	0
133126687	Defined_Bond_Stereo_Count	0
44414728	Molecular_Weight	380.8
16073	TPSA	38.3
129870262	Hydrogen_Bond_Acceptor_Count	2
85653	TPSA	52.6
22082840	TPSA	26
69341468	Undefined_Bond_Stereo_Count	0
39385	Total_Formal_Charge	0
638051	Covalent_Unit_Count	1
44719547	TPSA	53.7
12591555	Undefined_Bond_Stereo_Count	0
7989	Isotope_Atom_Count	0
72790	Hydrogen_Bond_Acceptor_Count	4
91932	Defined_Atom_Stereo_Count	0
164550	Hydrogen_Bond_Acceptor_Count	5
102959	Exact_Mass	182.05790880
6433586	Hydrogen_Bond_Acceptor_Count	20
68809	Defined_Bond_Stereo_Count	0
229126	Rotatable_Bond_Count	4
14818447	Mono_Isotopic_Weight	121.93478
64085466	Isotope_Atom_Count	0
10622871	Defined_Atom_Stereo_Count	1
118984457	TPSA	2570
6437850	TPSA	26
84602	Hydrogen_Bond_Donor_Count	0
216	Hydrogen_Bond_Acceptor_Count	7
10461263	Rotatable_Bond_Count	13
42796	Undefined_Bond_Stereo_Count	0
13029605	Covalent_Unit_Count	1
81451	Undefined_Bond_Stereo_Count	0
18393	Covalent_Unit_Count	1
9218	Defined_Atom_Stereo_Count	0
945090	Structure_Complexity	369
123200332	Defined_Atom_Stereo_Count	0
138190	TPSA	20.2
9883029	Defined_Bond_Stereo_Count	0
83971	Undefined_Bond_Stereo_Count	0
3416433	Structure_Complexity	127
107876	Hydrogen_Bond_Acceptor_Count	13
130611	Covalent_Unit_Count	1
129852933	Undefined_Bond_Stereo_Count	0
3068840	Defined_Atom_Stereo_Count	0
2459	Hydrogen_Bond_Donor_Count	4
77532	Hydrogen_Bond_Donor_Count	0
81844	TPSA	17.1
15940870	Hydrogen_Bond_Donor_Count	0
85538179	Structure_Complexity	169
132035918	Hydrogen_Bond_Donor_Count	4
4888	Mono_Isotopic_Weight	255.08954328
159157	Mono_Isotopic_Weight	208.04054465
86289069	Hydrogen_Bond_Donor_Count	13
44308032	Covalent_Unit_Count	1
21228	Undefined_Bond_Stereo_Count	0
10441661	Mono_Isotopic_Weight	108.068748264
15681692	Covalent_Unit_Count	1
86705695	Total_Formal_Charge	0
7393	Structure_Complexity	115
20226552	Exact_Mass	112.027277375
5311	Tautomer_Count	12
6497	Molecular_Weight	126.13
14818493	Total_Formal_Charge	0
45051637	Structure_Complexity	19.1
9861147	Mono_Isotopic_Weight	300.208930132
56965681	Non-hydrogen_Atom_Count	7
20652538	Structure_Complexity	97.5
2860	Rotatable_Bond_Count	1
5288706	Hydrogen_Bond_Donor_Count	5
12554979	Exact_Mass	96.093900383
56663313	Hydrogen_Bond_Acceptor_Count	8
309266	Rotatable_Bond_Count	2
445375	Non-hydrogen_Atom_Count	9
97983	Mono_Isotopic_Weight	82.041864811
5395	Rotatable_Bond_Count	0
76229	Tautomer_Count	1
163317	Rotatable_Bond_Count	2
34636	Tautomer_Count	1
12559270	Undefined_Bond_Stereo_Count	0
67299	Exact_Mass	177.9588348
5966	Molecular_Weight	556.8
60196294	Undefined_Atom_Stereo_Count	2
42840	Mono_Isotopic_Weight	337.862653
9961939	TPSA	220
55466	Undefined_Atom_Stereo_Count	0
11315474	Defined_Bond_Stereo_Count	0
76687	Structure_Complexity	445
7111	Molecular_Weight	184.24
142210	Hydrogen_Bond_Acceptor_Count	3
39268	Rotatable_Bond_Count	8
63974	Total_Formal_Charge	0
543880	Undefined_Bond_Stereo_Count	0
135403657	Molecular_Weight	522.20
147570519	Non-hydrogen_Atom_Count	7
5257187	Structure_Complexity	304
27435	TPSA	47.9
3973230	Defined_Atom_Stereo_Count	0
11545958	Defined_Atom_Stereo_Count	0
65327	Covalent_Unit_Count	2
166744	Rotatable_Bond_Count	11
9953	Rotatable_Bond_Count	3
100930731	Total_Formal_Charge	0
56720	Undefined_Bond_Stereo_Count	0
79425	Mono_Isotopic_Weight	215.976764
46916401	Defined_Bond_Stereo_Count	0
139077515	Defined_Bond_Stereo_Count	0
14920524	Covalent_Unit_Count	1
50993881	TPSA	117
71462631	Defined_Bond_Stereo_Count	0
893947	Exact_Mass	253.0669699
101365706	Hydrogen_Bond_Acceptor_Count	2
82052	Mono_Isotopic_Weight	153.9588348
53432	Molecular_Weight	250.34
1207	Total_Formal_Charge	0
71555	Rotatable_Bond_Count	4
154101	Covalent_Unit_Count	1
21580808	Structure_Complexity	330
49849621	Non-hydrogen_Atom_Count	30
17510	Hydrogen_Bond_Acceptor_Count	3
10839	Mono_Isotopic_Weight	359.24604391
22645860	Undefined_Atom_Stereo_Count	0
550642	XLogP3-AA	1.1
105007	Defined_Bond_Stereo_Count	0
13715986	Molecular_Weight	118.13
54099616	Defined_Atom_Stereo_Count	0
83826166	Defined_Atom_Stereo_Count	0
165079254	Defined_Atom_Stereo_Count	0
13019066	Exact_Mass	416.32904526
18762609	Total_Formal_Charge	0
9793	Exact_Mass	376.20498756
54309225	Structure_Complexity	50
71587119	Non-hydrogen_Atom_Count	40
45259044	Hydrogen_Bond_Acceptor_Count	4
5458589	Non-hydrogen_Atom_Count	30
13382623	Covalent_Unit_Count	1
5284558	Exact_Mass	588.18429107
146159249	Non-hydrogen_Atom_Count	27
517058	Mono_Isotopic_Weight	163.9407790
360	Defined_Atom_Stereo_Count	0
51081	Defined_Atom_Stereo_Count	0
153254665	Molecular_Weight	111.18
54502555	Undefined_Atom_Stereo_Count	1
43082	Molecular_Weight	357.9
521169	Tautomer_Count	1
9457	Non-hydrogen_Atom_Count	12
6080476	Undefined_Atom_Stereo_Count	1
96405	Molecular_Weight	147.15
2534	Molecular_Weight	1009.2
21863274	Total_Formal_Charge	0
471360	Non-hydrogen_Atom_Count	13
145562	Total_Formal_Charge	0
89602862	Defined_Bond_Stereo_Count	0
14172370	Structure_Complexity	142
14643618	Structure_Complexity	91.1
637931	Tautomer_Count	1
147285	Hydrogen_Bond_Acceptor_Count	2
97135	Non-hydrogen_Atom_Count	16
11069	Defined_Bond_Stereo_Count	0
10077129	Defined_Bond_Stereo_Count	1
589314	Undefined_Bond_Stereo_Count	0
445621	Isotope_Atom_Count	0
59119	Mono_Isotopic_Weight	330.10544872
443866	Covalent_Unit_Count	2
123373475	Undefined_Atom_Stereo_Count	3
91439	Undefined_Bond_Stereo_Count	0
15706803	Defined_Bond_Stereo_Count	0
83864197	Total_Formal_Charge	0
20298629	Rotatable_Bond_Count	8
92131818	Hydrogen_Bond_Donor_Count	1
18779169	Exact_Mass	112.063662883
6450003	Total_Formal_Charge	0
15773	Total_Formal_Charge	0
994871	Non-hydrogen_Atom_Count	37
18363526	Molecular_Weight	114.14
69452237	Isotope_Atom_Count	0
85328	Covalent_Unit_Count	1
44630475	Mono_Isotopic_Weight	399.06814
6940	Undefined_Atom_Stereo_Count	0
44176380	Covalent_Unit_Count	3
4484	Hydrogen_Bond_Donor_Count	4
87212	Defined_Atom_Stereo_Count	0
58996537	Defined_Atom_Stereo_Count	0
34001	Mono_Isotopic_Weight	341.1393859
53316393	Mono_Isotopic_Weight	344.11723519
13785328	Structure_Complexity	590
129829002	TPSA	47
87251056	Defined_Atom_Stereo_Count	0
32995	Total_Formal_Charge	0
446576	Exact_Mass	193.0519578
6597	Non-hydrogen_Atom_Count	6
3014294	XLogP3-AA	1.5
25077993	Total_Formal_Charge	0
46437	TPSA	29.1
447196	Structure_Complexity	354
10784	Defined_Bond_Stereo_Count	0
54525833	Undefined_Atom_Stereo_Count	2
23324969	Hydrogen_Bond_Acceptor_Count	0
157684	XLogP3	4.9
9954410	Isotope_Atom_Count	0
3453	Defined_Atom_Stereo_Count	0
4593	Defined_Bond_Stereo_Count	0
4996382	Isotope_Atom_Count	0
185588	Rotatable_Bond_Count	3
95456	Hydrogen_Bond_Acceptor_Count	2
6435207	Exact_Mass	400.18858861
21131011	Structure_Complexity	98.6
5354495	Rotatable_Bond_Count	0
6324103	Rotatable_Bond_Count	3
117969398	Isotope_Atom_Count	0
12540922	Hydrogen_Bond_Acceptor_Count	1
15480319	Exact_Mass	170.95872
1512518	Rotatable_Bond_Count	0
580057	Rotatable_Bond_Count	2
76344	Rotatable_Bond_Count	4
102102069	Defined_Atom_Stereo_Count	0
123754760	Defined_Atom_Stereo_Count	0
42627755	Mono_Isotopic_Weight	332.14979254
68991415	Structure_Complexity	74.5
448812	Covalent_Unit_Count	1
23934560	XLogP3-AA	2.6
148201	Total_Formal_Charge	0
856278	Undefined_Atom_Stereo_Count	0
10997120	Defined_Atom_Stereo_Count	0
24866358	Molecular_Weight	471.9
4622	XLogP3	2.4
6032	Covalent_Unit_Count	1
626732	Hydrogen_Bond_Acceptor_Count	3
165413019	Molecular_Weight	268.23
2653	Isotope_Atom_Count	0
20827794	Hydrogen_Bond_Acceptor_Count	0
129873330	Molecular_Weight	98.10
11120	Structure_Complexity	92.6
964856	Mono_Isotopic_Weight	275.094628657
40073	Molecular_Weight	462.5
123653016	Molecular_Weight	98.14
93468	Total_Formal_Charge	0
66249	Isotope_Atom_Count	0
140765	Defined_Atom_Stereo_Count	0
5364971	Covalent_Unit_Count	1
12452048	Mono_Isotopic_Weight	112.088815002
6096207	Structure_Complexity	2540
73110	Mono_Isotopic_Weight	569.0756554
44149909	Undefined_Bond_Stereo_Count	0
87870897	Undefined_Atom_Stereo_Count	0
47608	Exact_Mass	269.12766012
87162	Hydrogen_Bond_Donor_Count	0
142965989	Rotatable_Bond_Count	6
123831	Covalent_Unit_Count	1
78847	TPSA	81.6
11513929	TPSA	46.2
11281011	Rotatable_Bond_Count	11
67828	Total_Formal_Charge	0
44181920	Undefined_Atom_Stereo_Count	1
1111	Hydrogen_Bond_Donor_Count	10
26444	Covalent_Unit_Count	1
887798	Covalent_Unit_Count	1
57750798	Mono_Isotopic_Weight	112.088815002
146157761	Hydrogen_Bond_Donor_Count	3
30924	Exact_Mass	163.099714038
55329	Mono_Isotopic_Weight	263.17461031
66684245	Undefined_Atom_Stereo_Count	1
97959	Molecular_Weight	128.21
333942	Hydrogen_Bond_Donor_Count	2
11228773	Rotatable_Bond_Count	0
58559	Undefined_Bond_Stereo_Count	0
101248703	Hydrogen_Bond_Donor_Count	3
136502787	Defined_Atom_Stereo_Count	0
5391612	Molecular_Weight	299.28
20494989	Defined_Bond_Stereo_Count	0
2676	Undefined_Bond_Stereo_Count	1
131697803	Defined_Atom_Stereo_Count	6
13924394	Hydrogen_Bond_Acceptor_Count	2
226147	Non-hydrogen_Atom_Count	18
6918204	Molecular_Weight	1058.1
6420074	Total_Formal_Charge	0
65399	Total_Formal_Charge	0
80790	Rotatable_Bond_Count	2
25137918	Structure_Complexity	710
68822	Covalent_Unit_Count	1
16682930	Hydrogen_Bond_Donor_Count	0
133728	Undefined_Bond_Stereo_Count	0
99058	Hydrogen_Bond_Acceptor_Count	9
20429	Molecular_Weight	86.09
162636	Structure_Complexity	153
237	Undefined_Atom_Stereo_Count	1
6566	Structure_Complexity	22.9
5329	Isotope_Atom_Count	0
5784745	Defined_Bond_Stereo_Count	1
563049	Total_Formal_Charge	0
58265153	Covalent_Unit_Count	1
68745835	Undefined_Bond_Stereo_Count	0
13212923	Exact_Mass	99.104799419
13191055	Hydrogen_Bond_Acceptor_Count	2
15230353	Isotope_Atom_Count	0
2568	Hydrogen_Bond_Acceptor_Count	4
25094462	Covalent_Unit_Count	1
11062802	Molecular_Weight	168.28
70680969	Covalent_Unit_Count	1
427860	Undefined_Bond_Stereo_Count	0
97792	Molecular_Weight	132.16
74517	Defined_Atom_Stereo_Count	0
102513886	Isotope_Atom_Count	0
10351178	Covalent_Unit_Count	1
5709759	Structure_Complexity	474
138961	XLogP3-AA	1.1
21867154	Defined_Atom_Stereo_Count	0
20463	Total_Formal_Charge	0
41206	Defined_Bond_Stereo_Count	0
7910	Structure_Complexity	41.4
85570	Covalent_Unit_Count	1
9577585	Tautomer_Count	5
20521791	Defined_Atom_Stereo_Count	0
10669	Covalent_Unit_Count	1
449394	XLogP3-AA	2.5
74089	Non-hydrogen_Atom_Count	8
50294	Hydrogen_Bond_Donor_Count	2
44258737	Undefined_Atom_Stereo_Count	2
14069226	XLogP3-AA	0.1
84872	Undefined_Bond_Stereo_Count	0
197344	Molecular_Weight	352.79
134823960	Molecular_Weight	266.34
41386	Undefined_Atom_Stereo_Count	1
33820	Molecular_Weight	321.5
5281888	Defined_Atom_Stereo_Count	0
7030	Undefined_Atom_Stereo_Count	0
12425338	Molecular_Weight	114.19
74944	Total_Formal_Charge	0
137808	Molecular_Weight	93.13
54023535	Undefined_Bond_Stereo_Count	0
1712094	Defined_Atom_Stereo_Count	0
60196433	Molecular_Weight	894.0
38012	XLogP3	6.5
82259	Undefined_Bond_Stereo_Count	0
31703	Undefined_Atom_Stereo_Count	0
112239	Covalent_Unit_Count	1
604767	Hydrogen_Bond_Acceptor_Count	4
11815299	Exact_Mass	104.094963011
96457	Hydrogen_Bond_Acceptor_Count	3
70926	Undefined_Bond_Stereo_Count	0
3199	Tautomer_Count	153
5371993	Defined_Bond_Stereo_Count	2
65923	Isotope_Atom_Count	0
46856306	Rotatable_Bond_Count	4
83669186	Defined_Bond_Stereo_Count	0
122534114	Undefined_Bond_Stereo_Count	0
148539	TPSA	12.5
24941254	Defined_Bond_Stereo_Count	0
3417	Mono_Isotopic_Weight	138.00819570
85812	Molecular_Weight	202.25
12149454	Molecular_Weight	310.37
140751	Hydrogen_Bond_Acceptor_Count	1
140996483	Defined_Bond_Stereo_Count	0
6518103	Undefined_Bond_Stereo_Count	0
15054176	TPSA	58.7
9524	Structure_Complexity	46.5
2449	Covalent_Unit_Count	1
106219	Hydrogen_Bond_Donor_Count	0
449381	Hydrogen_Bond_Donor_Count	3
6204	Mono_Isotopic_Weight	194.154489261
41376	Tautomer_Count	12
525	Defined_Atom_Stereo_Count	0
72199784	XLogP3-AA	5.6
7221	Mono_Isotopic_Weight	134.01902136
3002	Mono_Isotopic_Weight	735.14313908
7845	Undefined_Atom_Stereo_Count	0
4047	Rotatable_Bond_Count	5
305	Mono_Isotopic_Weight	104.107539070
17963363	Defined_Bond_Stereo_Count	0
9228	Exact_Mass	119.037113783
62383	Structure_Complexity	57.6
11088	Covalent_Unit_Count	1
17779323	Non-hydrogen_Atom_Count	6
68075820	Non-hydrogen_Atom_Count	8
13976241	TPSA	32.3
148931546	Total_Formal_Charge	0
50897	Hydrogen_Bond_Donor_Count	0
14826608	Mono_Isotopic_Weight	99.032028402
23418	Mono_Isotopic_Weight	274.14297583
4810	Exact_Mass	241.0730377
447297	Exact_Mass	327.10414797
16220172	Isotope_Atom_Count	0
28532	Exact_Mass	163.038176411
70684298	Defined_Atom_Stereo_Count	0
67505	XLogP3-AA	1.9
73072210	Mono_Isotopic_Weight	412.370516150
73755062	Defined_Bond_Stereo_Count	6
1444	Defined_Atom_Stereo_Count	0
2733293	Non-hydrogen_Atom_Count	7
72747174	Mono_Isotopic_Weight	100.100048391
59904965	Hydrogen_Bond_Acceptor_Count	0
12602	XLogP3-AA	1.5
21835032	Hydrogen_Bond_Acceptor_Count	1
82291	Molecular_Weight	93.55
144416139	Total_Formal_Charge	0
59270	Molecular_Weight	402.3
522536	Hydrogen_Bond_Acceptor_Count	2
244	Covalent_Unit_Count	1
162918376	XLogP3-AA	7.5
45380893	Undefined_Atom_Stereo_Count	0
8408	Non-hydrogen_Atom_Count	15
22013662	Covalent_Unit_Count	1
155903698	Covalent_Unit_Count	1
6440511	Molecular_Weight	449.6
2788	XLogP3	3.5
37419	Defined_Atom_Stereo_Count	0
497698	Hydrogen_Bond_Acceptor_Count	6
8062	Covalent_Unit_Count	1
267577	Undefined_Atom_Stereo_Count	0
58528	Mono_Isotopic_Weight	256.121177757
16738927	TPSA	132
57547	TPSA	18.1
56680336	XLogP3-AA	3.7
53384597	Hydrogen_Bond_Acceptor_Count	4
6439276	Hydrogen_Bond_Acceptor_Count	12
194519	Mono_Isotopic_Weight	304.02175079
118328333	Covalent_Unit_Count	1
4206	Exact_Mass	368.25627424
24883432	Mono_Isotopic_Weight	446.129461
11979961	Non-hydrogen_Atom_Count	148
5057599	XLogP3-AA	4.5
24831714	Structure_Complexity	476
53766125	Isotope_Atom_Count	0
79577298	Isotope_Atom_Count	0
62379	Hydrogen_Bond_Donor_Count	0
129815740	Undefined_Bond_Stereo_Count	0
20745	Hydrogen_Bond_Acceptor_Count	1
10703	Total_Formal_Charge	0
59792626	Hydrogen_Bond_Donor_Count	0
10633	Hydrogen_Bond_Acceptor_Count	2
448223	Hydrogen_Bond_Donor_Count	1
16212182	Total_Formal_Charge	0
51030053	Defined_Atom_Stereo_Count	0
139075087	Undefined_Bond_Stereo_Count	0
20198094	Undefined_Atom_Stereo_Count	2
139058077	Covalent_Unit_Count	4
17753912	Isotope_Atom_Count	0
175468	Tautomer_Count	2
135487863	Exact_Mass	204.15862589
59311377	TPSA	50.2
2775816	Mono_Isotopic_Weight	124.0403406
25271781	Defined_Bond_Stereo_Count	0
5083	Covalent_Unit_Count	1
2723951	Undefined_Bond_Stereo_Count	0
80792	Hydrogen_Bond_Acceptor_Count	2
11407412	Rotatable_Bond_Count	6
181674	Covalent_Unit_Count	1
76356	Structure_Complexity	211
48640	Defined_Bond_Stereo_Count	0
22280308	Mono_Isotopic_Weight	96.043596145
10214380	Exact_Mass	109.052763847
13999819	TPSA	17.1
85032	Undefined_Atom_Stereo_Count	0
86134	Hydrogen_Bond_Acceptor_Count	6
32816	Defined_Atom_Stereo_Count	0
16683704	Hydrogen_Bond_Donor_Count	1
10238	Exact_Mass	427.01989983
17182	Total_Formal_Charge	0
86233	Non-hydrogen_Atom_Count	22
25162926	Covalent_Unit_Count	2
12358851	Defined_Atom_Stereo_Count	3
7841	Undefined_Bond_Stereo_Count	0
10292887	Hydrogen_Bond_Acceptor_Count	6
16129690	Rotatable_Bond_Count	40
129980649	Exact_Mass	100.052429494
22140765	Exact_Mass	113.058911855
123600	Covalent_Unit_Count	1
41583	Hydrogen_Bond_Acceptor_Count	4
167195	Defined_Bond_Stereo_Count	0
126969105	TPSA	80.7
11029761	Rotatable_Bond_Count	1
6603320	Total_Formal_Charge	0
38255	Mono_Isotopic_Weight	387.818595
9973981	Molecular_Weight	331.8
66254	Exact_Mass	192.0015015
22873	Rotatable_Bond_Count	10
75372	TPSA	9.2
129	Covalent_Unit_Count	1
93055	Hydrogen_Bond_Donor_Count	2
86278165	Isotope_Atom_Count	0
919	Structure_Complexity	265
73285	Total_Formal_Charge	0
61691030	Hydrogen_Bond_Acceptor_Count	2
23897	Hydrogen_Bond_Acceptor_Count	3
5289501	Defined_Atom_Stereo_Count	0
362	Rotatable_Bond_Count	0
51402807	Total_Formal_Charge	0
21028424	Defined_Atom_Stereo_Count	0
135430945	Defined_Bond_Stereo_Count	0
3622	Defined_Bond_Stereo_Count	0
66321	Total_Formal_Charge	0
4617	Rotatable_Bond_Count	1
60155097	Undefined_Bond_Stereo_Count	0
11177439	Hydrogen_Bond_Donor_Count	4
49858248	Defined_Atom_Stereo_Count	0
10257882	Structure_Complexity	1060
56704	Structure_Complexity	410
13568632	Total_Formal_Charge	0
24825254	Molecular_Weight	510.6
61812	Hydrogen_Bond_Donor_Count	0
4167	Hydrogen_Bond_Donor_Count	0
12664537	Total_Formal_Charge	0
705485	XLogP3-AA	4
41317	Undefined_Bond_Stereo_Count	4
94294	Defined_Atom_Stereo_Count	0
146157010	TPSA	32.7
73253	Defined_Bond_Stereo_Count	0
2518	Rotatable_Bond_Count	2
11964036	XLogP3-AA	4.9
121207552	TPSA	20.2
9656	Defined_Bond_Stereo_Count	0
57394213	Isotope_Atom_Count	0
5281006	Total_Formal_Charge	0
44358318	Molecular_Weight	450.4
33360	Exact_Mass	286.08749484
3720	Molecular_Weight	810.7
25042	Isotope_Atom_Count	0
17531	Tautomer_Count	1
9047	Non-hydrogen_Atom_Count	19
103563866	Mono_Isotopic_Weight	111.068413911
98053103	XLogP3-AA	2.8
11007859	Exact_Mass	114.042927438
110821	Total_Formal_Charge	0
431097	Defined_Atom_Stereo_Count	0
4177	Hydrogen_Bond_Donor_Count	1
3680	Isotope_Atom_Count	0
10290812	Undefined_Atom_Stereo_Count	0
36023	Defined_Atom_Stereo_Count	0
445408	Hydrogen_Bond_Acceptor_Count	6
38521	Exact_Mass	213.147726857
89216	Total_Formal_Charge	0
27979	Hydrogen_Bond_Acceptor_Count	2
10239608	Hydrogen_Bond_Donor_Count	4
659218	XLogP3-AA	1.6
9828911	Total_Formal_Charge	0
77603	TPSA	18.5
5362858	Exact_Mass	101.084063974
14330987	Non-hydrogen_Atom_Count	9
19169	Molecular_Weight	114.14
521218	TPSA	9.2
22639586	Isotope_Atom_Count	0
10975533	Undefined_Bond_Stereo_Count	0
56603751	Defined_Atom_Stereo_Count	0
13279677	Undefined_Atom_Stereo_Count	0
17390	XLogP3	2.8
8210	Mono_Isotopic_Weight	218.18819469
10246505	Undefined_Bond_Stereo_Count	0
13413802	Defined_Bond_Stereo_Count	0
11502243	Structure_Complexity	552
135968625	Structure_Complexity	1730
637563	Mono_Isotopic_Weight	148.088815002
36688137	Hydrogen_Bond_Acceptor_Count	2
117563748	Exact_Mass	98.048012819
134694008	Defined_Bond_Stereo_Count	0
9826358	Exact_Mass	478.20029610
23939	TPSA	0
8168	Molecular_Weight	213.40
21932803	Mono_Isotopic_Weight	121.03884512
13329881	Structure_Complexity	58.7
281995	Defined_Bond_Stereo_Count	0
24808640	Exact_Mass	94.041864811
4612	Mono_Isotopic_Weight	279.15829154
53712606	Mono_Isotopic_Weight	96.093900383
46240	TPSA	41.9
92180	Non-hydrogen_Atom_Count	15
18798586	Rotatable_Bond_Count	2
13452165	Non-hydrogen_Atom_Count	16
274412	Undefined_Atom_Stereo_Count	0
7413	Exact_Mass	128.083729621
84883	Defined_Bond_Stereo_Count	0
135403804	Rotatable_Bond_Count	2
71464039	Mono_Isotopic_Weight	98.048012819
9934283	Defined_Atom_Stereo_Count	0
11178958	Undefined_Bond_Stereo_Count	0
4763	Undefined_Bond_Stereo_Count	0
7259	Isotope_Atom_Count	0
14528849	XLogP3-AA	1
5478986	Defined_Bond_Stereo_Count	0
49792792	Structure_Complexity	415
208	Mono_Isotopic_Weight	260.02971899
14010989	Defined_Atom_Stereo_Count	0
130025741	TPSA	17.1
49721	Hydrogen_Bond_Donor_Count	0
23668516	Undefined_Bond_Stereo_Count	0
5497186	Defined_Bond_Stereo_Count	0
15615	Exact_Mass	98.084398327
5284451	Exact_Mass	401.19507097
151476	Defined_Bond_Stereo_Count	0
16212984	Non-hydrogen_Atom_Count	8
74470	Isotope_Atom_Count	0
143723227	Covalent_Unit_Count	1
140672839	Undefined_Bond_Stereo_Count	0
11234794	Hydrogen_Bond_Donor_Count	4
102601816	Defined_Bond_Stereo_Count	0
8396	Mono_Isotopic_Weight	176.120115130
6918078	Structure_Complexity	402
14379227	XLogP3-AA	0.5
1886	Exact_Mass	438.20423867
74195	Covalent_Unit_Count	1
46174070	Undefined_Bond_Stereo_Count	0
5478817	Structure_Complexity	124
668	Isotope_Atom_Count	0
9847219	Isotope_Atom_Count	0
13641	Defined_Bond_Stereo_Count	0
93234	Defined_Bond_Stereo_Count	0
6538998	Undefined_Bond_Stereo_Count	0
53867497	Non-hydrogen_Atom_Count	11
101218360	Defined_Atom_Stereo_Count	0
3851247	Hydrogen_Bond_Acceptor_Count	12
81080	Covalent_Unit_Count	1
198068	Hydrogen_Bond_Donor_Count	0
94190	Defined_Bond_Stereo_Count	0
57174031	Defined_Bond_Stereo_Count	0
21675743	Exact_Mass	100.100048391
8292	Mono_Isotopic_Weight	308.03058836
70751	Total_Formal_Charge	0
85864806	Total_Formal_Charge	0
66545744	TPSA	58.7
6972	Total_Formal_Charge	0
19013934	Isotope_Atom_Count	0
105056	Undefined_Atom_Stereo_Count	0
115118	Hydrogen_Bond_Acceptor_Count	5
53481477	Mono_Isotopic_Weight	350.20932405
22138511	TPSA	18.5
20251205	Covalent_Unit_Count	1
129688356	Total_Formal_Charge	0
55289472	Molecular_Weight	100.12
24117	Tautomer_Count	1
6409631	Defined_Bond_Stereo_Count	0
129849	Hydrogen_Bond_Donor_Count	1
135408511	Structure_Complexity	523
45086609	Hydrogen_Bond_Donor_Count	2
5280581	Defined_Atom_Stereo_Count	0
19606817	Exact_Mass	96.057514874
9927988	Exact_Mass	342.11621151
31227	Defined_Bond_Stereo_Count	0
22339897	Undefined_Bond_Stereo_Count	0
60574	Undefined_Atom_Stereo_Count	1
15684	Molecular_Weight	177.02
17814354	Covalent_Unit_Count	1
9864154	Non-hydrogen_Atom_Count	27
6336505	Hydrogen_Bond_Donor_Count	3
65715	Hydrogen_Bond_Acceptor_Count	3
3293	Hydrogen_Bond_Donor_Count	1
38895	Tautomer_Count	1
139078414	Total_Formal_Charge	0
57258462	Defined_Bond_Stereo_Count	0
71575294	Isotope_Atom_Count	0
4293	Defined_Atom_Stereo_Count	0
17690	Hydrogen_Bond_Acceptor_Count	0
3081420	TPSA	0
22965786	Mono_Isotopic_Weight	98.073164938
55300496	Covalent_Unit_Count	1
67374621	Covalent_Unit_Count	1
159982	Total_Formal_Charge	0
3916	Undefined_Atom_Stereo_Count	1
33929	Structure_Complexity	244
53860785	Undefined_Bond_Stereo_Count	0
4132	Undefined_Atom_Stereo_Count	5
66100	Mono_Isotopic_Weight	292.13910305
524682	Hydrogen_Bond_Donor_Count	0
83596	Covalent_Unit_Count	1
444539	XLogP3	2.1
19933	Covalent_Unit_Count	1
29385	Covalent_Unit_Count	1
11320929	Exact_Mass	116.047344113
30278	Undefined_Bond_Stereo_Count	0
5068715	Exact_Mass	762.13755881
22580	Hydrogen_Bond_Donor_Count	3
144606028	Rotatable_Bond_Count	0
631047	Undefined_Bond_Stereo_Count	1
56658432	Undefined_Atom_Stereo_Count	1
6420149	Hydrogen_Bond_Acceptor_Count	4
68576	Structure_Complexity	645
49865863	Covalent_Unit_Count	1
285725	Exact_Mass	110.048012819
57363	Non-hydrogen_Atom_Count	27
281	Rotatable_Bond_Count	0
12389638	Undefined_Atom_Stereo_Count	0
22024915	Total_Formal_Charge	0
94355	Non-hydrogen_Atom_Count	8
10355130	Molecular_Weight	257.76
81047	XLogP3-AA	5.3
44144	Structure_Complexity	619
7707	Covalent_Unit_Count	1
701186	Non-hydrogen_Atom_Count	21
12441662	TPSA	20.2
44571	Hydrogen_Bond_Acceptor_Count	3
13925600	Non-hydrogen_Atom_Count	8
21889836	Defined_Bond_Stereo_Count	0
146382	Undefined_Bond_Stereo_Count	2
1981	Defined_Bond_Stereo_Count	0
9576912	Isotope_Atom_Count	0
754780	Defined_Atom_Stereo_Count	0
56487	TPSA	59.1
5368010	Undefined_Atom_Stereo_Count	1
33786	Defined_Atom_Stereo_Count	0
11962143	Undefined_Atom_Stereo_Count	0
581206	Isotope_Atom_Count	0
15788110	Hydrogen_Bond_Donor_Count	3
88720280	Total_Formal_Charge	0
85538179	Undefined_Atom_Stereo_Count	0
11556910	Exact_Mass	391.06251792
106228050	Exact_Mass	111.068413911
2987927	Non-hydrogen_Atom_Count	20
53359	Hydrogen_Bond_Donor_Count	1
60196412	TPSA	146
9010	Non-hydrogen_Atom_Count	19
16772299	Exact_Mass	99.104799419
66749731	Hydrogen_Bond_Donor_Count	2
303830	Hydrogen_Bond_Donor_Count	0
127036660	Covalent_Unit_Count	1
16536	Hydrogen_Bond_Acceptor_Count	2
5748152	Total_Formal_Charge	0
51522	Undefined_Bond_Stereo_Count	0
56149	Covalent_Unit_Count	1
9548696	Total_Formal_Charge	0
6440900	Defined_Bond_Stereo_Count	1
129628904	Defined_Bond_Stereo_Count	0
5281612	Mono_Isotopic_Weight	300.06338810
446578	Hydrogen_Bond_Donor_Count	3
56120	Defined_Atom_Stereo_Count	0
101982233	Hydrogen_Bond_Acceptor_Count	0
181287	Isotope_Atom_Count	0
450591	TPSA	63.3
52366	Exact_Mass	179.094628657
48758	Hydrogen_Bond_Acceptor_Count	3
101181995	XLogP3-AA	6.2
7065	Hydrogen_Bond_Acceptor_Count	3
21405	Total_Formal_Charge	0
115001	Hydrogen_Bond_Donor_Count	0
70207914	Undefined_Atom_Stereo_Count	0
9841	Undefined_Atom_Stereo_Count	0
30292	Total_Formal_Charge	0
17392	Rotatable_Bond_Count	7
551174	Undefined_Atom_Stereo_Count	0
70682196	Mono_Isotopic_Weight	412.18992602
10930781	Structure_Complexity	1580
1549103	Structure_Complexity	156
159778730	Undefined_Bond_Stereo_Count	0
65452	Defined_Atom_Stereo_Count	19
56430	Defined_Atom_Stereo_Count	0
566503	Defined_Atom_Stereo_Count	0
5281873	Hydrogen_Bond_Acceptor_Count	7
121515	Non-hydrogen_Atom_Count	24
54420681	Mono_Isotopic_Weight	116.083729621
46202081	Covalent_Unit_Count	1
30065	Total_Formal_Charge	0
49769064	Covalent_Unit_Count	1
83976	Rotatable_Bond_Count	10
27744	Molecular_Weight	451.9
86305	Undefined_Bond_Stereo_Count	0
65981	Undefined_Bond_Stereo_Count	0
540335	Total_Formal_Charge	0
115374	Non-hydrogen_Atom_Count	28
2998624	XLogP3-AA	2.5
12363650	TPSA	55.4
135408964	Hydrogen_Bond_Donor_Count	1
23616906	Hydrogen_Bond_Acceptor_Count	5
14402033	Rotatable_Bond_Count	1
19398	Non-hydrogen_Atom_Count	19
489	Undefined_Atom_Stereo_Count	5
54045	Undefined_Atom_Stereo_Count	0
129491	Non-hydrogen_Atom_Count	36
57589	Undefined_Bond_Stereo_Count	0
3033865	Defined_Bond_Stereo_Count	0
5608	TPSA	306
66683198	Non-hydrogen_Atom_Count	24
4095801	Defined_Bond_Stereo_Count	0
9573395	Mono_Isotopic_Weight	645.23224432
443873	Hydrogen_Bond_Donor_Count	3
123643945	Hydrogen_Bond_Donor_Count	0
517030	Defined_Bond_Stereo_Count	0
75888	Defined_Bond_Stereo_Count	0
37768	TPSA	332
124087	Hydrogen_Bond_Donor_Count	1
5318386	XLogP3	1.8
2138	Defined_Atom_Stereo_Count	0
17799937	Structure_Complexity	78.1
9825070	Undefined_Atom_Stereo_Count	0
97991	Non-hydrogen_Atom_Count	13
53503	Tautomer_Count	1
80507	Undefined_Bond_Stereo_Count	0
11397521	TPSA	131
101666842	Exact_Mass	254.105527694
62669683	Structure_Complexity	76.6
21564107	Total_Formal_Charge	0
12676	Rotatable_Bond_Count	2
3527810	Hydrogen_Bond_Donor_Count	2
56840987	Exact_Mass	660.35096247
88235	Exact_Mass	311.0149699
81309	Tautomer_Count	1
31215	Total_Formal_Charge	0
56928061	Hydrogen_Bond_Donor_Count	11
44392088	TPSA	69.3
440141	Hydrogen_Bond_Acceptor_Count	14
186114	Undefined_Bond_Stereo_Count	0
98310	Undefined_Bond_Stereo_Count	0
448133	Hydrogen_Bond_Acceptor_Count	9
74356	TPSA	28.7
3082052	Undefined_Bond_Stereo_Count	0
21379	Defined_Atom_Stereo_Count	0
4458	Molecular_Weight	154.25
10758	Isotope_Atom_Count	0
76590	Mono_Isotopic_Weight	239.82440
23730803	Hydrogen_Bond_Donor_Count	2
20759975	Non-hydrogen_Atom_Count	7
68009306	Total_Formal_Charge	0
13245709	Covalent_Unit_Count	1
10948	Defined_Bond_Stereo_Count	0
22091090	Covalent_Unit_Count	1
142796	Covalent_Unit_Count	1
24901347	Exact_Mass	463.19296297
54676715	Defined_Bond_Stereo_Count	0
53151	Molecular_Weight	120.11
23264402	Exact_Mass	110.073164938
413742	Exact_Mass	140.01432991
5142	Tautomer_Count	1
6168	Defined_Bond_Stereo_Count	0
15493441	Rotatable_Bond_Count	2
16211288	Tautomer_Count	2
231010	Non-hydrogen_Atom_Count	19
436520	TPSA	3.2
17235	Defined_Atom_Stereo_Count	0
21749202	Mono_Isotopic_Weight	116.083729621
129677105	Defined_Bond_Stereo_Count	0
54043984	Defined_Atom_Stereo_Count	0
16220011	Covalent_Unit_Count	1
23679441	Undefined_Atom_Stereo_Count	0
11457	Molecular_Weight	202.01
140123	Hydrogen_Bond_Donor_Count	0
22612	TPSA	38
19938019	Isotope_Atom_Count	0
155970341	Structure_Complexity	1680
3549980	TPSA	40.1
520301	TPSA	12
20234581	Structure_Complexity	51.9
9351	Exact_Mass	196.0515740
62379	Tautomer_Count	1
137705114	Defined_Atom_Stereo_Count	5
32451	Defined_Atom_Stereo_Count	0
969105	Undefined_Atom_Stereo_Count	0
54133029	Mono_Isotopic_Weight	113.047678466
24721009	Rotatable_Bond_Count	7
889896	Mono_Isotopic_Weight	304.121177757
25199807	Structure_Complexity	103
20587905	TPSA	23.8
135505	Undefined_Bond_Stereo_Count	0
7569	Non-hydrogen_Atom_Count	29
42580057	Non-hydrogen_Atom_Count	23
276224	Defined_Bond_Stereo_Count	0
6453497	Molecular_Weight	329.8
141814359	Hydrogen_Bond_Acceptor_Count	2
70500258	Undefined_Atom_Stereo_Count	1
9847	XLogP3-AA	1.2
103023	Non-hydrogen_Atom_Count	11
26715	Non-hydrogen_Atom_Count	14
8681	Structure_Complexity	395
7156899	Total_Formal_Charge	0
2808	Structure_Complexity	551
67058	TPSA	55
30196	Total_Formal_Charge	0
6419108	TPSA	58.6
68710	TPSA	28.6
122174042	Mono_Isotopic_Weight	827.46672049
6828	Exact_Mass	268.157563266
6677	Non-hydrogen_Atom_Count	34
5352982	Rotatable_Bond_Count	13
14656	Tautomer_Count	2
99923	Total_Formal_Charge	0
559	TPSA	81.5
107526	Total_Formal_Charge	0
146558401	Total_Formal_Charge	0
5983	Hydrogen_Bond_Donor_Count	1
279506	Exact_Mass	104.047344113
55886	Undefined_Atom_Stereo_Count	0
11618	Non-hydrogen_Atom_Count	7
70070	Exact_Mass	411.92994806
150679	Molecular_Weight	270.25
13408099	TPSA	52.3
65667	Exact_Mass	577.32641949
6436730	Molecular_Weight	871.0
10146470	TPSA	115
16667736	Tautomer_Count	14
12965	Structure_Complexity	68.5
12749134	Undefined_Bond_Stereo_Count	0
54362500	XLogP3-AA	0.2
11979418	Defined_Atom_Stereo_Count	13
6417	Defined_Bond_Stereo_Count	0
98026	Non-hydrogen_Atom_Count	13
21051076	Defined_Bond_Stereo_Count	0
12295520	Exact_Mass	110.084398327
9961	Tautomer_Count	1
89578867	Exact_Mass	310.204513457
156323004	Defined_Atom_Stereo_Count	0
89389546	Covalent_Unit_Count	1
1201518	Molecular_Weight	154.25
91329391	Covalent_Unit_Count	1
93011	TPSA	37.4
4991	TPSA	33.4
9847219	Structure_Complexity	727
57522038	Rotatable_Bond_Count	7
34755	Undefined_Bond_Stereo_Count	0
57406911	Structure_Complexity	847
12555	Isotope_Atom_Count	0
9113	Non-hydrogen_Atom_Count	42
582708	Exact_Mass	356.08644947
71462389	Total_Formal_Charge	0
848	Total_Formal_Charge	0
6504	Molecular_Weight	318.32
637520	Hydrogen_Bond_Acceptor_Count	2
92180	Defined_Bond_Stereo_Count	0
24900937	Hydrogen_Bond_Donor_Count	4
20198022	Undefined_Bond_Stereo_Count	0
959353	Undefined_Atom_Stereo_Count	0
47104	Defined_Bond_Stereo_Count	0
49866524	Hydrogen_Bond_Donor_Count	1
4359436	Hydrogen_Bond_Acceptor_Count	2
9810601	Hydrogen_Bond_Acceptor_Count	14
36965	Defined_Atom_Stereo_Count	0
129635186	Structure_Complexity	955
163988282	Rotatable_Bond_Count	1
74886	Total_Formal_Charge	0
6688	XLogP3	3.7
5365369	Molecular_Weight	337.6
71210615	Structure_Complexity	382
20250	Molecular_Weight	223.5
66776828	Mono_Isotopic_Weight	428.19607403
90385783	Structure_Complexity	131
88318	Total_Formal_Charge	0
85824359	Exact_Mass	108.093900383
10486803	Defined_Bond_Stereo_Count	0
60789	Undefined_Atom_Stereo_Count	0
2790	XLogP3-AA	3
207363	Tautomer_Count	1
141167	Non-hydrogen_Atom_Count	6
587322	Hydrogen_Bond_Donor_Count	0
32593	Mono_Isotopic_Weight	371.16968530
57681561	Exact_Mass	393.21781779
228006	Undefined_Atom_Stereo_Count	1
2734054	Defined_Atom_Stereo_Count	1
16682746	Defined_Bond_Stereo_Count	0
18542	Defined_Atom_Stereo_Count	0
3996620	Molecular_Weight	231.23
10866290	Hydrogen_Bond_Donor_Count	0
2303	Rotatable_Bond_Count	3
8594	Undefined_Atom_Stereo_Count	0
54325138	Total_Formal_Charge	0
22902239	Hydrogen_Bond_Acceptor_Count	2
129856110	Hydrogen_Bond_Donor_Count	4
10909508	Defined_Bond_Stereo_Count	0
64032	Exact_Mass	332.0806812
18681973	Undefined_Bond_Stereo_Count	0
458821	TPSA	92.5
3955599	Isotope_Atom_Count	0
24737670	Structure_Complexity	529
21670825	XLogP3-AA	6.6
9821383	Rotatable_Bond_Count	9
838	Total_Formal_Charge	0
18795105	Isotope_Atom_Count	0
53275765	Hydrogen_Bond_Acceptor_Count	1
139078692	Defined_Atom_Stereo_Count	0
14897389	Mono_Isotopic_Weight	114.031694049
123659755	Undefined_Bond_Stereo_Count	0
6607	Rotatable_Bond_Count	1
135705228	Hydrogen_Bond_Donor_Count	8
21325775	TPSA	42.2
260495	Hydrogen_Bond_Acceptor_Count	2
20767630	Total_Formal_Charge	0
118183199	Hydrogen_Bond_Acceptor_Count	2
62731702	Rotatable_Bond_Count	1
240119	Defined_Atom_Stereo_Count	0
71679410	Structure_Complexity	688
4871	Rotatable_Bond_Count	3
445969	Defined_Bond_Stereo_Count	0
88267	Hydrogen_Bond_Acceptor_Count	1
9837124	TPSA	132
16738927	Defined_Bond_Stereo_Count	0
62140646	Rotatable_Bond_Count	2
102402986	Hydrogen_Bond_Donor_Count	0
53846436	TPSA	60.7
41478	Tautomer_Count	1
23557886	XLogP3-AA	0
5603	Exact_Mass	115.136099547
70691154	XLogP3-AA	3.3
50077	Total_Formal_Charge	0
2363	Hydrogen_Bond_Donor_Count	1
136657690	Mono_Isotopic_Weight	218.05522346
24502	Exact_Mass	293.772825
55342	Defined_Bond_Stereo_Count	0
410914	Exact_Mass	400.17466988
5401	Undefined_Bond_Stereo_Count	0
38347	Structure_Complexity	253
352335	Non-hydrogen_Atom_Count	17
61444	Hydrogen_Bond_Acceptor_Count	11
542762	XLogP3-AA	1.3
688217	Defined_Atom_Stereo_Count	1
9094	Mono_Isotopic_Weight	158.07653624
520326	Hydrogen_Bond_Acceptor_Count	2
20448997	Defined_Atom_Stereo_Count	0
10046647	Exact_Mass	401.2233903
44521023	Molecular_Weight	398.5
59154494	Isotope_Atom_Count	0
398652	Hydrogen_Bond_Donor_Count	0
17913	Defined_Bond_Stereo_Count	0
731455	Defined_Bond_Stereo_Count	0
677105	Defined_Bond_Stereo_Count	0
3023651	Isotope_Atom_Count	0
101742	Tautomer_Count	2
31281	Undefined_Bond_Stereo_Count	0
12456033	Structure_Complexity	175
130143669	Undefined_Atom_Stereo_Count	4
53739	Rotatable_Bond_Count	3
20039	Mono_Isotopic_Weight	235.10692467
10313457	Total_Formal_Charge	0
53689772	Defined_Atom_Stereo_Count	0
59116084	TPSA	90.2
639662	Defined_Atom_Stereo_Count	0
5328940	Isotope_Atom_Count	0
5464190	Undefined_Atom_Stereo_Count	0
12659781	Exact_Mass	84.057514874
252139	Undefined_Bond_Stereo_Count	0
134735	Undefined_Atom_Stereo_Count	0
54144657	Non-hydrogen_Atom_Count	7
234475	Defined_Bond_Stereo_Count	0
20811	Hydrogen_Bond_Acceptor_Count	2
5353510	Hydrogen_Bond_Acceptor_Count	10
2041326	Covalent_Unit_Count	1
92100	Rotatable_Bond_Count	3
6093241	TPSA	81.3
16217112	Hydrogen_Bond_Donor_Count	5
182976	Isotope_Atom_Count	0
13586013	Defined_Atom_Stereo_Count	0
12331	Structure_Complexity	41.7
1069125	Undefined_Bond_Stereo_Count	0
16685	Covalent_Unit_Count	1
12581	Covalent_Unit_Count	1
5282551	Non-hydrogen_Atom_Count	32
10219373	Isotope_Atom_Count	0
75341	XLogP3	2.2
89456730	Covalent_Unit_Count	1
2977	Mono_Isotopic_Weight	314.224580195
66903	Total_Formal_Charge	0
10113430	XLogP3-AA	4.5
18329111	XLogP3-AA	3.8
154655788	Mono_Isotopic_Weight	112.088815002
4865	Undefined_Atom_Stereo_Count	4
18430414	Hydrogen_Bond_Acceptor_Count	6
11128	Non-hydrogen_Atom_Count	17
102594130	Total_Formal_Charge	0
1077757	XLogP3-AA	3.6
65360	Molecular_Weight	207.25
90459541	Exact_Mass	109.052763847
65835	Rotatable_Bond_Count	2
21669	Rotatable_Bond_Count	3
6436117	Exact_Mass	594.04097308
23063800	XLogP3-AA	0.2
11285653	XLogP3-AA	3.6
129146	Undefined_Atom_Stereo_Count	0
5464253	Hydrogen_Bond_Acceptor_Count	10
10788	Hydrogen_Bond_Donor_Count	0
67112	Non-hydrogen_Atom_Count	15
6917733	Non-hydrogen_Atom_Count	31
5352426	Defined_Bond_Stereo_Count	0
80467969	Defined_Bond_Stereo_Count	0
97536	Defined_Atom_Stereo_Count	2
11503692	Rotatable_Bond_Count	7
53630039	Defined_Bond_Stereo_Count	0
25271884	TPSA	133
225147	Molecular_Weight	116.16
18314545	Exact_Mass	101.047678466
4983738	Defined_Atom_Stereo_Count	0
131954782	Structure_Complexity	2640
44717198	Tautomer_Count	1
5702044	Non-hydrogen_Atom_Count	40
446541	Defined_Bond_Stereo_Count	1
102059952	Hydrogen_Bond_Donor_Count	3
10337	Defined_Atom_Stereo_Count	0
54740489	Mono_Isotopic_Weight	390.0111167
15951420	Covalent_Unit_Count	1
66599	Tautomer_Count	15
12848394	TPSA	36.3
5281771	TPSA	324
6917663	Structure_Complexity	268
44565779	Molecular_Weight	302.37
13349549	Isotope_Atom_Count	0
69507	Non-hydrogen_Atom_Count	16
23627460	Isotope_Atom_Count	0
21942786	Hydrogen_Bond_Donor_Count	1
79242	Mono_Isotopic_Weight	166.074227566
156618042	TPSA	190
34794	Hydrogen_Bond_Acceptor_Count	2
306862	XLogP3-AA	5.7
166775	Exact_Mass	666.22185834
2331	Hydrogen_Bond_Acceptor_Count	1
12444627	Rotatable_Bond_Count	13
12856218	Isotope_Atom_Count	0
535823	Hydrogen_Bond_Donor_Count	0
20323	XLogP3-AA	1.6
74453	Undefined_Bond_Stereo_Count	0
111318	Structure_Complexity	697
129747104	XLogP3-AA	0.2
80792	TPSA	26.3
13198341	Exact_Mass	120.078644241
53856650	Exact_Mass	110.109550447
137699570	Covalent_Unit_Count	1
6537	Isotope_Atom_Count	0
83822	Isotope_Atom_Count	0
8256	Hydrogen_Bond_Donor_Count	0
3038501	Hydrogen_Bond_Acceptor_Count	6
46224572	Structure_Complexity	482
12657448	Undefined_Bond_Stereo_Count	0
70255	Total_Formal_Charge	0
152743492	Structure_Complexity	588
6256685	Covalent_Unit_Count	1
44563177	Rotatable_Bond_Count	5
135465079	Covalent_Unit_Count	1
31013	Non-hydrogen_Atom_Count	16
342570	Hydrogen_Bond_Donor_Count	1
146156882	Hydrogen_Bond_Acceptor_Count	26
69240	Hydrogen_Bond_Donor_Count	0
65667	Total_Formal_Charge	0
75317	Undefined_Atom_Stereo_Count	0
10102486	Structure_Complexity	1640
60196319	Defined_Atom_Stereo_Count	1
122174042	Non-hydrogen_Atom_Count	58
67432369	Non-hydrogen_Atom_Count	7
27868	Hydrogen_Bond_Acceptor_Count	2
171409	Rotatable_Bond_Count	15
10256440	Exact_Mass	530.17770440
3083659	Isotope_Atom_Count	0
102428	Molecular_Weight	327.8
393037	Defined_Bond_Stereo_Count	0
15950518	XLogP3-AA	2.2
5237030	Defined_Atom_Stereo_Count	0
14242109	Mono_Isotopic_Weight	114.104465066
160355	Molecular_Weight	354.4
188267	Defined_Atom_Stereo_Count	0
535532	Undefined_Bond_Stereo_Count	0
6436082	Isotope_Atom_Count	0
6429274	Undefined_Bond_Stereo_Count	0
2192	Molecular_Weight	284.4
42512	Covalent_Unit_Count	1
140349	Total_Formal_Charge	0
32592	Undefined_Bond_Stereo_Count	0
1667	Isotope_Atom_Count	0
73005	Covalent_Unit_Count	1
34408	TPSA	94.2
10727	Hydrogen_Bond_Donor_Count	0
670	Undefined_Bond_Stereo_Count	0
54681623	Non-hydrogen_Atom_Count	23
135424770	Hydrogen_Bond_Donor_Count	1
12231382	Defined_Bond_Stereo_Count	0
14379827	Isotope_Atom_Count	0
12519677	Undefined_Bond_Stereo_Count	0
68465774	Molecular_Weight	138.12
56848	XLogP3-AA	4.2
9926832	Defined_Atom_Stereo_Count	3
25114553	Mono_Isotopic_Weight	492.25973691
4423	Structure_Complexity	549
9886917	Mono_Isotopic_Weight	394.15287181
17930361	Hydrogen_Bond_Donor_Count	0
153534619	Covalent_Unit_Count	1
2733779	Hydrogen_Bond_Acceptor_Count	8
6232	Isotope_Atom_Count	0
420	Isotope_Atom_Count	0
82738	Non-hydrogen_Atom_Count	49
44205240	Rotatable_Bond_Count	5
15580	Molecular_Weight	277.14
3002820	Defined_Atom_Stereo_Count	0
7778	Undefined_Bond_Stereo_Count	0
68958	Hydrogen_Bond_Acceptor_Count	3
123167	XLogP3	3.4
54682458	Mono_Isotopic_Weight	608.17295580
54235966	Structure_Complexity	107
5352728	Non-hydrogen_Atom_Count	10
12285863	Non-hydrogen_Atom_Count	12
6918509	XLogP3-AA	3.1
20691	Hydrogen_Bond_Donor_Count	0
11474	Tautomer_Count	1
688009	Rotatable_Bond_Count	3
12248518	Exact_Mass	116.083729621
13207481	TPSA	63.3
5702690	Mono_Isotopic_Weight	497.90605924
12285890	Isotope_Atom_Count	1
16678941	Mono_Isotopic_Weight	452.11837800
16218740	Undefined_Bond_Stereo_Count	0
16211948	Total_Formal_Charge	0
12262	Defined_Bond_Stereo_Count	0
10407275	Total_Formal_Charge	0
62441	Covalent_Unit_Count	2
5984	Hydrogen_Bond_Acceptor_Count	6
23663418	Non-hydrogen_Atom_Count	23
19816937	Molecular_Weight	111.10
15793001	XLogP3-AA	0.2
13923	Undefined_Bond_Stereo_Count	0
10110	Hydrogen_Bond_Donor_Count	1
49869312	TPSA	63.6
69	Total_Formal_Charge	0
107647	Tautomer_Count	1
2115	Molecular_Weight	224.15
91867648	Exact_Mass	13.005739
163201191	Structure_Complexity	99.7
74040195	Rotatable_Bond_Count	2
173548	Mono_Isotopic_Weight	315.17942091
134715456	Non-hydrogen_Atom_Count	29
16752772	Tautomer_Count	1
73950789	Total_Formal_Charge	0
66603768	Defined_Atom_Stereo_Count	2
28767	Mono_Isotopic_Weight	307.029747
9953732	Non-hydrogen_Atom_Count	30
21943184	Hydrogen_Bond_Acceptor_Count	3
29656	Hydrogen_Bond_Acceptor_Count	1
3400822	Covalent_Unit_Count	1
9887884	Non-hydrogen_Atom_Count	31
410099	Defined_Atom_Stereo_Count	0
12339044	Isotope_Atom_Count	0
449555	TPSA	428
265	Mono_Isotopic_Weight	837.15707506
47183	Mono_Isotopic_Weight	362.1761058
3876660	Molecular_Weight	380.5
19143	Rotatable_Bond_Count	2
40234	Hydrogen_Bond_Donor_Count	0
82197	Tautomer_Count	2
84029	TPSA	183
6918412	TPSA	246
10654193	Undefined_Atom_Stereo_Count	0
3077	Structure_Complexity	103
21679899	TPSA	9.2
73566	Rotatable_Bond_Count	5
60196269	TPSA	182
20056950	Rotatable_Bond_Count	3
104143	TPSA	99
247470	Molecular_Weight	104.15
15099876	Isotope_Atom_Count	0
23690453	Defined_Bond_Stereo_Count	0
7768	Total_Formal_Charge	0
60825	Molecular_Weight	229.26
9211	TPSA	9.2
8310	Isotope_Atom_Count	0
22001134	Exact_Mass	100.027277375
208924	Defined_Bond_Stereo_Count	0
27368	Defined_Atom_Stereo_Count	0
96354	Defined_Bond_Stereo_Count	0
59557415	Hydrogen_Bond_Donor_Count	2
101171	Molecular_Weight	114.14
22836366	Total_Formal_Charge	0
5492898	Undefined_Bond_Stereo_Count	0
3033968	Structure_Complexity	648
10867835	Exact_Mass	221.09292838
71742521	Mono_Isotopic_Weight	111.068413911
163050684	Covalent_Unit_Count	1
19868281	Hydrogen_Bond_Donor_Count	2
9794218	TPSA	54
10868	Non-hydrogen_Atom_Count	15
440966	Structure_Complexity	177
11189402	Hydrogen_Bond_Donor_Count	1
44345665	Covalent_Unit_Count	1
68682	Molecular_Weight	552.6
70683024	Hydrogen_Bond_Donor_Count	12
109016492	Hydrogen_Bond_Donor_Count	2
69216	Isotope_Atom_Count	0
15286	Covalent_Unit_Count	1
5477380	Covalent_Unit_Count	1
23681233	Structure_Complexity	544
35898	Molecular_Weight	276.37
11574	Total_Formal_Charge	0
5284363	Isotope_Atom_Count	0
70690020	Hydrogen_Bond_Acceptor_Count	5
5351154	Tautomer_Count	108
6883	Defined_Atom_Stereo_Count	4
688323	Total_Formal_Charge	0
9568077	Non-hydrogen_Atom_Count	21
12298579	Covalent_Unit_Count	1
17429	Exact_Mass	113.084063974
62884	Rotatable_Bond_Count	4
158038961	Hydrogen_Bond_Acceptor_Count	1
541675	Undefined_Bond_Stereo_Count	0
4149208	Hydrogen_Bond_Acceptor_Count	2
701841	Hydrogen_Bond_Acceptor_Count	4
4323	Isotope_Atom_Count	0
54375073	Hydrogen_Bond_Acceptor_Count	1
61101	Mono_Isotopic_Weight	208.06953611
63826	Total_Formal_Charge	0
12100	Hydrogen_Bond_Acceptor_Count	0
101658	Total_Formal_Charge	0
122767	Structure_Complexity	354
9812790	Covalent_Unit_Count	1
135403828	Mono_Isotopic_Weight	473.16589610
17499	XLogP3	0.8
18691	Rotatable_Bond_Count	3
58992	Defined_Atom_Stereo_Count	1
3312	Undefined_Bond_Stereo_Count	4
129803162	Undefined_Bond_Stereo_Count	0
165154846	Structure_Complexity	139
91753	Isotope_Atom_Count	0
4673	Tautomer_Count	1
23079882	Hydrogen_Bond_Acceptor_Count	6
90779122	Non-hydrogen_Atom_Count	7
14265	XLogP3-AA	1
17040	Covalent_Unit_Count	1
24699	Molecular_Weight	358.6
23663979	Molecular_Weight	371.4
53786	Exact_Mass	370.18566972
44338981	Defined_Atom_Stereo_Count	0
18624857	Hydrogen_Bond_Acceptor_Count	2
9776841	XLogP3-AA	8.9
164667083	Defined_Atom_Stereo_Count	2
76968505	Molecular_Weight	325.9
441236	Mono_Isotopic_Weight	746.31717767
126710233	Exact_Mass	100.100048391
112039	Hydrogen_Bond_Donor_Count	0
68365444	Covalent_Unit_Count	1
4874	Hydrogen_Bond_Donor_Count	2
5754	Defined_Bond_Stereo_Count	0
14197638	Non-hydrogen_Atom_Count	8
736351	Defined_Bond_Stereo_Count	0
156592059	Mono_Isotopic_Weight	895.04440356
20784557	Total_Formal_Charge	0
527764	Covalent_Unit_Count	1
265520	Covalent_Unit_Count	1
17898	Total_Formal_Charge	0
71374162	Defined_Atom_Stereo_Count	0
102089288	Undefined_Atom_Stereo_Count	0
12062	TPSA	89.3
5486172	Hydrogen_Bond_Donor_Count	6
9906028	Isotope_Atom_Count	0
40438	Structure_Complexity	330
71237	Mono_Isotopic_Weight	277.04802588
124409111	Mono_Isotopic_Weight	342.11621151
31312	Non-hydrogen_Atom_Count	35
117709	Molecular_Weight	151.16
55317	Undefined_Bond_Stereo_Count	0
24184393	Undefined_Bond_Stereo_Count	0
23311753	Undefined_Bond_Stereo_Count	0
519846	Structure_Complexity	72.9
104902	Total_Formal_Charge	0
162290	Covalent_Unit_Count	3
443366	Total_Formal_Charge	0
88301824	Rotatable_Bond_Count	1
2117	Tautomer_Count	1
446541	Total_Formal_Charge	0
54378536	Total_Formal_Charge	0
649852	Total_Formal_Charge	0
44629654	TPSA	47.9
6671	Non-hydrogen_Atom_Count	11
4618	Undefined_Atom_Stereo_Count	1
721436	Defined_Bond_Stereo_Count	0
69242	Isotope_Atom_Count	0
10148984	Hydrogen_Bond_Donor_Count	2
32350	Undefined_Atom_Stereo_Count	0
88300	Isotope_Atom_Count	0
57123750	Hydrogen_Bond_Donor_Count	5
71807	Defined_Atom_Stereo_Count	3
25058166	Hydrogen_Bond_Donor_Count	7
134564038	Rotatable_Bond_Count	0
129696925	Mono_Isotopic_Weight	685.38356257
60196366	Defined_Bond_Stereo_Count	0
101602	Isotope_Atom_Count	0
3033953	Defined_Bond_Stereo_Count	0
72221005	Undefined_Atom_Stereo_Count	1
159603	TPSA	86.2
70177	Hydrogen_Bond_Donor_Count	2
15277	Undefined_Atom_Stereo_Count	0
23432895	Defined_Bond_Stereo_Count	0
41743	Non-hydrogen_Atom_Count	18
5282428	Rotatable_Bond_Count	8
446284	Structure_Complexity	398
119098876	Exact_Mass	1120.19982200
4084	Hydrogen_Bond_Acceptor_Count	6
96522	Rotatable_Bond_Count	1
68624	Rotatable_Bond_Count	3
1394	Rotatable_Bond_Count	21
51402807	Exact_Mass	464.09547607
11788264	Isotope_Atom_Count	0
41649	Defined_Bond_Stereo_Count	0
71751553	Molecular_Weight	396.3
7919	Total_Formal_Charge	0
15273943	Structure_Complexity	82.6
75923	TPSA	0
22967002	Non-hydrogen_Atom_Count	7
793	Mono_Isotopic_Weight	156.05349212
4066245	Non-hydrogen_Atom_Count	22
134688323	Hydrogen_Bond_Acceptor_Count	5
12614	Molecular_Weight	108.18
12218432	Undefined_Bond_Stereo_Count	0
439935	Hydrogen_Bond_Donor_Count	2
3415	Structure_Complexity	120
118917438	Molecular_Weight	115.13
27400	Undefined_Atom_Stereo_Count	0
134070	XLogP3-AA	5.1
11501341	Undefined_Atom_Stereo_Count	0
151245	TPSA	38.3
21566834	Undefined_Atom_Stereo_Count	0
2779031	Isotope_Atom_Count	0
16158208	Total_Formal_Charge	0
71743	Non-hydrogen_Atom_Count	23
12623598	Defined_Bond_Stereo_Count	0
5359563	Rotatable_Bond_Count	3
7474	Defined_Atom_Stereo_Count	0
9980241	Defined_Bond_Stereo_Count	0
87280027	Exact_Mass	112.027277375
97824	Molecular_Weight	159.23
753040	Molecular_Weight	344.16
395450	Hydrogen_Bond_Donor_Count	0
125286694	Mono_Isotopic_Weight	842.51400504
65836	Molecular_Weight	324.2
15830	Non-hydrogen_Atom_Count	10
3047795	Total_Formal_Charge	0
18622350	Isotope_Atom_Count	0
243556	Hydrogen_Bond_Acceptor_Count	1
10882	TPSA	26.3
54316592	Hydrogen_Bond_Acceptor_Count	1
10958914	Isotope_Atom_Count	1
53710320	TPSA	56.2
11634725	Defined_Atom_Stereo_Count	1
70433668	Exact_Mass	114.068079557
15664	Structure_Complexity	161
67656913	Rotatable_Bond_Count	1
11951725	Total_Formal_Charge	0
10797	Undefined_Bond_Stereo_Count	0
62525	Molecular_Weight	431.10
10197702	Non-hydrogen_Atom_Count	10
12534276	Molecular_Weight	112.17
15026073	TPSA	30.8
101186587	Hydrogen_Bond_Donor_Count	0
71625272	Structure_Complexity	464
521994	Non-hydrogen_Atom_Count	7
21788	XLogP3-AA	5.6
46224603	Undefined_Bond_Stereo_Count	0
135524781	Covalent_Unit_Count	5
138756126	Undefined_Atom_Stereo_Count	6
59259660	Rotatable_Bond_Count	3
54352844	Molecular_Weight	98.10
1551553	TPSA	74.6
82538	Total_Formal_Charge	0
5921	TPSA	32.7
115237	Undefined_Bond_Stereo_Count	0
81217	Tautomer_Count	1
14231	Undefined_Atom_Stereo_Count	1
28360672	Structure_Complexity	789
248370	Non-hydrogen_Atom_Count	27
156369283	Rotatable_Bond_Count	2
119373	Total_Formal_Charge	0
20710	Non-hydrogen_Atom_Count	22
33344	Total_Formal_Charge	0
3085023	Molecular_Weight	114.15
74441105	XLogP3-AA	1.8
6778	TPSA	52.6
12057264	Hydrogen_Bond_Acceptor_Count	1
5334356	Hydrogen_Bond_Acceptor_Count	4
125017	Hydrogen_Bond_Donor_Count	2
216326	Undefined_Bond_Stereo_Count	0
44560911	Isotope_Atom_Count	0
25076512	Defined_Bond_Stereo_Count	0
12868192	XLogP3-AA	0.9
18102	Structure_Complexity	175
484128	Total_Formal_Charge	0
8055	Non-hydrogen_Atom_Count	8
53153	XLogP3	0.3
640096	Undefined_Atom_Stereo_Count	0
23700188	Undefined_Atom_Stereo_Count	0
68672	Undefined_Atom_Stereo_Count	1
53315110	Undefined_Bond_Stereo_Count	0
99930	Total_Formal_Charge	0
12243027	Undefined_Bond_Stereo_Count	0
45878	Covalent_Unit_Count	1
81876	Undefined_Atom_Stereo_Count	0
14520	Total_Formal_Charge	0
163460608	Hydrogen_Bond_Acceptor_Count	1
140172	Mono_Isotopic_Weight	96.032362755
161830	Defined_Bond_Stereo_Count	0
702186	Defined_Bond_Stereo_Count	0
263	Molecular_Weight	74.12
45008	Non-hydrogen_Atom_Count	19
68849	Mono_Isotopic_Weight	297.19400834
86305	Rotatable_Bond_Count	5
12364784	Undefined_Bond_Stereo_Count	0
696858	Total_Formal_Charge	0
9914506	Rotatable_Bond_Count	8
87438804	Exact_Mass	104.094963011
159603	Isotope_Atom_Count	0
24351	Isotope_Atom_Count	0
94570	Non-hydrogen_Atom_Count	12
10995	Non-hydrogen_Atom_Count	7
4432690	Defined_Bond_Stereo_Count	0
21441185	Isotope_Atom_Count	0
21680724	Defined_Atom_Stereo_Count	2
5311	Exact_Mass	264.14739250
92020576	Exact_Mass	146.05790880
44407737	Hydrogen_Bond_Donor_Count	1
521939	Undefined_Atom_Stereo_Count	0
28107	Total_Formal_Charge	0
115817	Molecular_Weight	413.3
134283942	Isotope_Atom_Count	0
125183304	Exact_Mass	904.44565070
160280695	Hydrogen_Bond_Donor_Count	0
122433	Total_Formal_Charge	0
54681623	Defined_Atom_Stereo_Count	0
102501728	Exact_Mass	477.16885622
71777654	Structure_Complexity	151
61635	Defined_Atom_Stereo_Count	0
6195	Tautomer_Count	1
61181	Structure_Complexity	25.5
2999	Hydrogen_Bond_Acceptor_Count	2
62332	Mono_Isotopic_Weight	242.094294304
4567175	Exact_Mass	318.18444672
45040320	Defined_Bond_Stereo_Count	0
61541	Non-hydrogen_Atom_Count	3
33925	Undefined_Atom_Stereo_Count	0
129627802	Isotope_Atom_Count	0
5486971	Defined_Bond_Stereo_Count	0
12561969	XLogP3-AA	1.4
3497	Hydrogen_Bond_Acceptor_Count	4
5447	Hydrogen_Bond_Donor_Count	2
175988	Tautomer_Count	1
7291	Hydrogen_Bond_Donor_Count	3
115011062	Undefined_Atom_Stereo_Count	0
25069561	Defined_Bond_Stereo_Count	0
65487	Defined_Atom_Stereo_Count	0
95259	Undefined_Bond_Stereo_Count	0
16069302	XLogP3-AA	4.2
24578	Defined_Atom_Stereo_Count	0
49836027	Undefined_Atom_Stereo_Count	0
71611	Undefined_Atom_Stereo_Count	0
12229743	TPSA	38
44310775	TPSA	73.3
147707445	Total_Formal_Charge	0
330654	Rotatable_Bond_Count	1
1177	Mono_Isotopic_Weight	244.06953611
59295925	Covalent_Unit_Count	1
135565471	Defined_Atom_Stereo_Count	4
15981397	Hydrogen_Bond_Donor_Count	1
9864687	Total_Formal_Charge	0
13927379	Rotatable_Bond_Count	4
16290686	Covalent_Unit_Count	1
441476	Covalent_Unit_Count	1
73813	Molecular_Weight	110.20
74066	Hydrogen_Bond_Donor_Count	2
15139	Isotope_Atom_Count	0
271488	Isotope_Atom_Count	0
22843	Undefined_Bond_Stereo_Count	0
19809513	Structure_Complexity	104
56020	Covalent_Unit_Count	1
2109	Molecular_Weight	147.13
86711	Non-hydrogen_Atom_Count	29
22141508	Rotatable_Bond_Count	2
9873570	Molecular_Weight	323.5
4217966	Undefined_Atom_Stereo_Count	1
71450704	XLogP3-AA	2
67247971	Total_Formal_Charge	0
27976	Rotatable_Bond_Count	2
89068	Isotope_Atom_Count	0
18696583	Tautomer_Count	1
339213	Exact_Mass	314.15180918
10871	Hydrogen_Bond_Donor_Count	1
86640	Hydrogen_Bond_Donor_Count	0
11528340	Mono_Isotopic_Weight	118.074227566
54573150	Mono_Isotopic_Weight	111.068413911
543	Structure_Complexity	304
10291131	Undefined_Atom_Stereo_Count	0
12420323	Undefined_Bond_Stereo_Count	0
50990393	Mono_Isotopic_Weight	923.48784986
55300789	Defined_Atom_Stereo_Count	0
6604910	Hydrogen_Bond_Acceptor_Count	3
54258707	Isotope_Atom_Count	0
3037582	Total_Formal_Charge	0
2798315	Undefined_Atom_Stereo_Count	0
118210121	Isotope_Atom_Count	0
6537490	Hydrogen_Bond_Acceptor_Count	4
47294	Rotatable_Bond_Count	3
22081149	Molecular_Weight	94.11
12405	Undefined_Bond_Stereo_Count	0
87748	Undefined_Atom_Stereo_Count	0
91610	Defined_Atom_Stereo_Count	0
17455	TPSA	74.6
138404353	Undefined_Atom_Stereo_Count	0
12431565	Undefined_Atom_Stereo_Count	1
105026	Undefined_Bond_Stereo_Count	0
2216	TPSA	62.4
69946325	Exact_Mass	185.10519334
89811	Undefined_Bond_Stereo_Count	0
22058225	Isotope_Atom_Count	0
14359030	Molecular_Weight	116.11
156614100	Rotatable_Bond_Count	9
25110841	Covalent_Unit_Count	1
10155136	XLogP3-AA	3.6
640997	Isotope_Atom_Count	0
53387504	Defined_Atom_Stereo_Count	2
678081	Hydrogen_Bond_Acceptor_Count	4
632835	Mono_Isotopic_Weight	370.10525291
164158597	Non-hydrogen_Atom_Count	8
15204529	Rotatable_Bond_Count	0
4684505	Mono_Isotopic_Weight	338.08668395
643968	Non-hydrogen_Atom_Count	17
1794427	Defined_Atom_Stereo_Count	4
159470	Undefined_Atom_Stereo_Count	0
21438817	Exact_Mass	98.048012819
3097	Isotope_Atom_Count	0
160617	Undefined_Bond_Stereo_Count	0
441233	Defined_Atom_Stereo_Count	1
23080901	Hydrogen_Bond_Donor_Count	0
19690565	Total_Formal_Charge	0
3305	Defined_Atom_Stereo_Count	0
130804992	Total_Formal_Charge	0
4056	Undefined_Atom_Stereo_Count	0
163900	Defined_Bond_Stereo_Count	0
109022	Hydrogen_Bond_Donor_Count	3
11731903	Exact_Mass	391.00951716
439318	Exact_Mass	483.25404239
105426940	Undefined_Bond_Stereo_Count	0
23190	Tautomer_Count	2
5284441	Isotope_Atom_Count	0
92822	Isotope_Atom_Count	0
131704	Hydrogen_Bond_Acceptor_Count	8
91194554	Undefined_Bond_Stereo_Count	0
68602	Defined_Bond_Stereo_Count	0
132276561	Hydrogen_Bond_Acceptor_Count	12
56801	TPSA	140
62774675	Rotatable_Bond_Count	3
33463	Structure_Complexity	761
24849168	Mono_Isotopic_Weight	316.14230712
9821945	Defined_Atom_Stereo_Count	0
102118	Exact_Mass	444.06926132
439709	Structure_Complexity	162
11954389	Molecular_Weight	470.9
68933	Covalent_Unit_Count	1
20644245	Molecular_Weight	98.14
96402	Exact_Mass	278.0629059
946	Rotatable_Bond_Count	0
20240	Undefined_Atom_Stereo_Count	0
121267708	Covalent_Unit_Count	1
774	Hydrogen_Bond_Acceptor_Count	2
76428	TPSA	45.8
5362376	Undefined_Atom_Stereo_Count	0
18735	Non-hydrogen_Atom_Count	17
54024247	Hydrogen_Bond_Acceptor_Count	2
124202844	Exact_Mass	479.09438454
20472522	Mono_Isotopic_Weight	94.078250319
16073662	Non-hydrogen_Atom_Count	42
16560	Total_Formal_Charge	0
92041	Defined_Bond_Stereo_Count	0
15853200	Rotatable_Bond_Count	2
71515	Exact_Mass	176.143924578
54038691	TPSA	20.2
410914	XLogP3-AA	3.5
67439664	TPSA	143
274426	Rotatable_Bond_Count	0
5284506	Hydrogen_Bond_Donor_Count	0
104143	Undefined_Bond_Stereo_Count	0
2901	Isotope_Atom_Count	0
137240373	Covalent_Unit_Count	6
13661819	Hydrogen_Bond_Donor_Count	1
54700	Tautomer_Count	1
388136	Hydrogen_Bond_Donor_Count	1
11062335	Covalent_Unit_Count	1
10582477	Covalent_Unit_Count	1
117479	Defined_Bond_Stereo_Count	0
10775424	Rotatable_Bond_Count	0
131400288	Hydrogen_Bond_Acceptor_Count	3
129681963	Exact_Mass	269.0486528
92211533	Non-hydrogen_Atom_Count	25
46853632	Isotope_Atom_Count	0
12398272	Total_Formal_Charge	0
54391876	Defined_Bond_Stereo_Count	0
6427079	Undefined_Bond_Stereo_Count	0
13422580	Mono_Isotopic_Weight	940.42049858
388029	Defined_Bond_Stereo_Count	0
54949	Hydrogen_Bond_Acceptor_Count	15
6473767	Undefined_Bond_Stereo_Count	0
23635364	Total_Formal_Charge	0
5108383	Exact_Mass	335.09397721
156619056	Defined_Bond_Stereo_Count	0
11365506	Undefined_Atom_Stereo_Count	0
163090692	Total_Formal_Charge	0
2351	Structure_Complexity	382
6916033	Undefined_Atom_Stereo_Count	0
141248885	Defined_Atom_Stereo_Count	0
185792	Hydrogen_Bond_Donor_Count	1
120070	Hydrogen_Bond_Donor_Count	0
22311	Hydrogen_Bond_Donor_Count	0
6415	Molecular_Weight	296.74
8119	Isotope_Atom_Count	0
5702238	Hydrogen_Bond_Donor_Count	0
127894	Non-hydrogen_Atom_Count	20
54064807	Molecular_Weight	112.17
81920	Total_Formal_Charge	0
11611402	Undefined_Atom_Stereo_Count	1
156418	Hydrogen_Bond_Acceptor_Count	4
133083079	Mono_Isotopic_Weight	1825.89989849
18955278	Hydrogen_Bond_Donor_Count	0
44520	Covalent_Unit_Count	1
70967	Exact_Mass	146.084398327
20473149	Molecular_Weight	146.14
364836	Structure_Complexity	117
139243813	Molecular_Weight	80.10
12506259	Defined_Bond_Stereo_Count	0
72199540	Rotatable_Bond_Count	15
4942	Isotope_Atom_Count	0
135121972	Mono_Isotopic_Weight	364.0713660
53708930	Structure_Complexity	87.7
7	Total_Formal_Charge	0
4876	Non-hydrogen_Atom_Count	10
107327	Exact_Mass	226.229665576
9798547	TPSA	54.5
5364361	TPSA	0
6604472	Hydrogen_Bond_Donor_Count	3
5367805	Exact_Mass	100.063662883
69994	Defined_Atom_Stereo_Count	0
3032572	Total_Formal_Charge	0
11612445	Undefined_Atom_Stereo_Count	1
6119	Undefined_Atom_Stereo_Count	0
9863827	Structure_Complexity	645
529076	Undefined_Atom_Stereo_Count	0
17304	XLogP3-AA	2
6436658	Hydrogen_Bond_Donor_Count	4
703965	Total_Formal_Charge	0
70695616	TPSA	3080
5388936	Hydrogen_Bond_Acceptor_Count	11
88423	Structure_Complexity	154
447956	Covalent_Unit_Count	1
344693	Undefined_Atom_Stereo_Count	1
1093	Covalent_Unit_Count	1
67125	Undefined_Atom_Stereo_Count	0
40468	Rotatable_Bond_Count	1
9906028	TPSA	87.4
10668284	Defined_Atom_Stereo_Count	0
18793	Structure_Complexity	166
527559	Rotatable_Bond_Count	2
13245716	Undefined_Bond_Stereo_Count	0
8862	Structure_Complexity	66.9
19932705	Non-hydrogen_Atom_Count	8
119391	Mono_Isotopic_Weight	85.99386925
738033	Undefined_Atom_Stereo_Count	0
35455	Rotatable_Bond_Count	4
9589475	Molecular_Weight	522.6
44339089	Molecular_Weight	496.7
5139	Defined_Bond_Stereo_Count	0
13493	Defined_Bond_Stereo_Count	0
40784491	Mono_Isotopic_Weight	145.052763847
3073200	Covalent_Unit_Count	1
694	Isotope_Atom_Count	0
57583195	Mono_Isotopic_Weight	101.084063974
1	Covalent_Unit_Count	1
788781	Hydrogen_Bond_Donor_Count	0
56968128	Covalent_Unit_Count	1
6931238	TPSA	52
6983	Total_Formal_Charge	0
82313	Exact_Mass	221.08993720
68245262	Covalent_Unit_Count	1
83872171	Non-hydrogen_Atom_Count	7
73334	Isotope_Atom_Count	0
565589	Defined_Atom_Stereo_Count	0
44338970	Defined_Bond_Stereo_Count	0
9971980	Covalent_Unit_Count	2
15558640	Covalent_Unit_Count	1
15558640	Structure_Complexity	574
57990869	Hydrogen_Bond_Acceptor_Count	7
53631403	Hydrogen_Bond_Acceptor_Count	2
72257	Covalent_Unit_Count	1
98341	Defined_Atom_Stereo_Count	0
20839131	Non-hydrogen_Atom_Count	16
143331072	Covalent_Unit_Count	1
1148	Undefined_Atom_Stereo_Count	1
16155603	Structure_Complexity	4430
285657	Defined_Bond_Stereo_Count	0
5702096	Tautomer_Count	8
11477084	Defined_Atom_Stereo_Count	0
42540	TPSA	18.5
54682930	Undefined_Atom_Stereo_Count	0
3530398	Hydrogen_Bond_Donor_Count	0
33557	Defined_Bond_Stereo_Count	0
6445562	Isotope_Atom_Count	0
53728	Defined_Bond_Stereo_Count	0
3918	XLogP3	3.1
550825	Isotope_Atom_Count	0
620080	Molecular_Weight	91.11
44125988	Rotatable_Bond_Count	5
533866	Isotope_Atom_Count	0
18471709	Rotatable_Bond_Count	3
87219146	Mono_Isotopic_Weight	115.063328530
45055378	Non-hydrogen_Atom_Count	26
5966	Hydrogen_Bond_Donor_Count	0
11668187	Exact_Mass	387.16952493
24871329	Mono_Isotopic_Weight	639.8696636
6989253	Undefined_Bond_Stereo_Count	0
123670820	Non-hydrogen_Atom_Count	23
92729	Covalent_Unit_Count	1
5281116	Molecular_Weight	338.6
12513422	Mono_Isotopic_Weight	96.057514874
8512	Non-hydrogen_Atom_Count	17
28864	Defined_Atom_Stereo_Count	2
723	Rotatable_Bond_Count	2
19502	Exact_Mass	112.125200510
2520	Mono_Isotopic_Weight	454.28315770
97754	Rotatable_Bond_Count	1
64781	Hydrogen_Bond_Acceptor_Count	7
56955180	Defined_Bond_Stereo_Count	0
5284553	Undefined_Bond_Stereo_Count	0
10041070	Defined_Bond_Stereo_Count	0
53631526	Undefined_Bond_Stereo_Count	0
84398	Tautomer_Count	1
54778	Undefined_Atom_Stereo_Count	0
77009	Total_Formal_Charge	0
20372060	TPSA	46.2
177843	Defined_Atom_Stereo_Count	0
13570060	Covalent_Unit_Count	1
13266	Structure_Complexity	236
7	Mono_Isotopic_Weight	163.08579531
66254	Molecular_Weight	192.07
280526	Covalent_Unit_Count	2
436520	Rotatable_Bond_Count	17
254	Hydrogen_Bond_Acceptor_Count	2
3061	Hydrogen_Bond_Acceptor_Count	13
114751	Undefined_Atom_Stereo_Count	2
59217416	TPSA	38.9
6438376	Isotope_Atom_Count	0
95169	Undefined_Atom_Stereo_Count	0
9576002	Isotope_Atom_Count	0
20494989	Rotatable_Bond_Count	0
34829729	Structure_Complexity	659
145679260	Structure_Complexity	125
48041	Rotatable_Bond_Count	6
83063	Rotatable_Bond_Count	3
5780	Undefined_Bond_Stereo_Count	0
47304	Undefined_Atom_Stereo_Count	0
5839	TPSA	91.7
56955286	XLogP3-AA	3.7
75614	Isotope_Atom_Count	0
114681	Covalent_Unit_Count	1
322	Hydrogen_Bond_Acceptor_Count	3
4760	Defined_Bond_Stereo_Count	0
271792	Covalent_Unit_Count	1
216237	Defined_Bond_Stereo_Count	0
146356470	Hydrogen_Bond_Donor_Count	1
22134406	Molecular_Weight	113.11
2580	Hydrogen_Bond_Acceptor_Count	4
5353495	Undefined_Atom_Stereo_Count	2
140719461	Rotatable_Bond_Count	0
32249	Total_Formal_Charge	0
146019527	Non-hydrogen_Atom_Count	43
43233	TPSA	49.2
6891	Molecular_Weight	201.25
12734569	Non-hydrogen_Atom_Count	8
306211	Mono_Isotopic_Weight	289.0505709
20519788	Covalent_Unit_Count	1
5815	Isotope_Atom_Count	0
6918412	Mono_Isotopic_Weight	871.36264935
22352992	Non-hydrogen_Atom_Count	8
80152	Covalent_Unit_Count	1
22134026	XLogP3-AA	0
12367598	Defined_Atom_Stereo_Count	0
44629456	Hydrogen_Bond_Donor_Count	6
643790	Defined_Bond_Stereo_Count	1
23505018	Exact_Mass	116.083729621
6450830	Hydrogen_Bond_Donor_Count	3
141545	Non-hydrogen_Atom_Count	8
5284549	Mono_Isotopic_Weight	324.02722052
7255	Undefined_Bond_Stereo_Count	0
7472	Covalent_Unit_Count	1
398515	Covalent_Unit_Count	1
67938791	Hydrogen_Bond_Acceptor_Count	6
22015942	Rotatable_Bond_Count	3
68229136	Rotatable_Bond_Count	4
120303	Hydrogen_Bond_Donor_Count	0
122499	Isotope_Atom_Count	0
88323	TPSA	64.9
126962001	Non-hydrogen_Atom_Count	55
19098324	Defined_Atom_Stereo_Count	0
2228691	Molecular_Weight	367.8
153085381	Covalent_Unit_Count	1
24180824	Hydrogen_Bond_Acceptor_Count	3
411817	Undefined_Bond_Stereo_Count	0
517121	Exact_Mass	218.9214405
14219	Non-hydrogen_Atom_Count	10
88794	Total_Formal_Charge	0
413528	Non-hydrogen_Atom_Count	19
19370497	Rotatable_Bond_Count	0
129009929	Structure_Complexity	415
18218196	Defined_Bond_Stereo_Count	0
22385729	Defined_Atom_Stereo_Count	0
19077516	Molecular_Weight	430.9
53396299	Defined_Atom_Stereo_Count	0
11825335	Mono_Isotopic_Weight	391.1350495
54475	Hydrogen_Bond_Acceptor_Count	1
75112	Isotope_Atom_Count	0
11523	Isotope_Atom_Count	0
8961	Hydrogen_Bond_Donor_Count	1
20190406	Structure_Complexity	94.5
21718270	TPSA	63.4
5460822	Undefined_Bond_Stereo_Count	0
9543082	Undefined_Bond_Stereo_Count	0
3806	Exact_Mass	174.031694049
4268635	Exact_Mass	152.0392780
44556162	Hydrogen_Bond_Acceptor_Count	11
8800	Defined_Bond_Stereo_Count	0
81320	TPSA	52.6
24706	Isotope_Atom_Count	0
84815	TPSA	88.6
138694	Defined_Bond_Stereo_Count	0
7825	Covalent_Unit_Count	1
126455659	Hydrogen_Bond_Donor_Count	1
2733525	Isotope_Atom_Count	0
12571	Hydrogen_Bond_Donor_Count	0
23576	Non-hydrogen_Atom_Count	26
68591	Structure_Complexity	655
44224133	Hydrogen_Bond_Acceptor_Count	4
2758223	Rotatable_Bond_Count	0
9264	Exact_Mass	137.96316371
9422	Molecular_Weight	242.3
136797998	Mono_Isotopic_Weight	396.0044419
133268467	Hydrogen_Bond_Acceptor_Count	3
155893809	Non-hydrogen_Atom_Count	8
225688	Defined_Bond_Stereo_Count	0
21124389	Hydrogen_Bond_Acceptor_Count	4
5086	Total_Formal_Charge	0
23675312	Total_Formal_Charge	0
40399	Undefined_Bond_Stereo_Count	0
2167092	Tautomer_Count	1
87829093	Undefined_Atom_Stereo_Count	0
71296969	Covalent_Unit_Count	2
99646	Hydrogen_Bond_Donor_Count	0
135407408	Total_Formal_Charge	0
68570	Non-hydrogen_Atom_Count	20
93556	Defined_Bond_Stereo_Count	0
858	Covalent_Unit_Count	1
70333	Hydrogen_Bond_Donor_Count	0
16129809	TPSA	478
11715766	Undefined_Bond_Stereo_Count	0
85763	TPSA	60.7
18622372	Molecular_Weight	111.10
4555	Defined_Bond_Stereo_Count	0
12933341	Isotope_Atom_Count	0
7566642	TPSA	1
135484551	Total_Formal_Charge	0
400010	Defined_Bond_Stereo_Count	0
104883	TPSA	0
102426	Exact_Mass	297.1495567
81466	Defined_Atom_Stereo_Count	0
13776	Defined_Bond_Stereo_Count	0
246	Hydrogen_Bond_Acceptor_Count	5
2109	Tautomer_Count	1
67707	Isotope_Atom_Count	0
22406051	Defined_Atom_Stereo_Count	0
78959	Defined_Atom_Stereo_Count	0
5280448	Structure_Complexity	432
53987564	Mono_Isotopic_Weight	117.042593085
26130	Mono_Isotopic_Weight	139.026943022
20930	Undefined_Bond_Stereo_Count	1
66837179	Total_Formal_Charge	0
124701961	Hydrogen_Bond_Acceptor_Count	1
146158553	Defined_Atom_Stereo_Count	1
529273	Total_Formal_Charge	0
23665728	Defined_Atom_Stereo_Count	0
23704143	Undefined_Atom_Stereo_Count	0
7940	Hydrogen_Bond_Acceptor_Count	3
10140	Molecular_Weight	465.6
52949543	Undefined_Atom_Stereo_Count	0
92389	Exact_Mass	264.0301698
3828	Undefined_Atom_Stereo_Count	0
83644	XLogP3-AA	3.3
512984	XLogP3-AA	2.9
9556	Defined_Bond_Stereo_Count	0
398495	Non-hydrogen_Atom_Count	22
44809	Total_Formal_Charge	0
11344002	TPSA	40.3
91505	Undefined_Atom_Stereo_Count	1
54686187	Hydrogen_Bond_Donor_Count	9
72521	Hydrogen_Bond_Donor_Count	3
448702	Non-hydrogen_Atom_Count	12
134824657	Defined_Bond_Stereo_Count	0
31250	Total_Formal_Charge	0
70276605	Isotope_Atom_Count	0
162883450	TPSA	272
25171666	Undefined_Atom_Stereo_Count	0
39538	Defined_Atom_Stereo_Count	0
32485	Non-hydrogen_Atom_Count	10
58195	Undefined_Bond_Stereo_Count	0
35343	TPSA	0
8433	Mono_Isotopic_Weight	224.083729621
12702413	Undefined_Atom_Stereo_Count	0
59107469	Defined_Atom_Stereo_Count	0
676041	Exact_Mass	219.125928785
33786	Undefined_Atom_Stereo_Count	0
12019	Rotatable_Bond_Count	2
24771824	Isotope_Atom_Count	0
19013934	Defined_Atom_Stereo_Count	0
10419	Rotatable_Bond_Count	0
15559154	Covalent_Unit_Count	1
11255	Hydrogen_Bond_Donor_Count	0
56669107	Undefined_Bond_Stereo_Count	0
172296	Total_Formal_Charge	0
57445155	Exact_Mass	102.068079557
119418	Mono_Isotopic_Weight	292.13107373
72034	Tautomer_Count	81
23525700	Hydrogen_Bond_Donor_Count	1
135565932	Mono_Isotopic_Weight	560.11995504
51380890	Mono_Isotopic_Weight	275.0257161
57445154	Rotatable_Bond_Count	2
52007	Total_Formal_Charge	0
10572530	Rotatable_Bond_Count	4
69301	TPSA	27.7
65573986	Hydrogen_Bond_Acceptor_Count	1
57871279	Non-hydrogen_Atom_Count	8
57399426	TPSA	52.6
410099	Defined_Bond_Stereo_Count	0
22318	Defined_Atom_Stereo_Count	0
89144	Exact_Mass	240.151415257
27465	Molecular_Weight	322.0
3110	Hydrogen_Bond_Donor_Count	0
2789	Undefined_Atom_Stereo_Count	0
12740771	Defined_Bond_Stereo_Count	0
11957635	Molecular_Weight	246.73
13286	Hydrogen_Bond_Acceptor_Count	6
89445694	TPSA	17.1
189563	Structure_Complexity	483
76288	Covalent_Unit_Count	1
54285963	Total_Formal_Charge	0
539829	Exact_Mass	222.08920892
5311176	Total_Formal_Charge	0
135403657	Mono_Isotopic_Weight	522.00664561
70686822	TPSA	127
139465606	Undefined_Atom_Stereo_Count	0
12425839	Structure_Complexity	402
33886	Isotope_Atom_Count	0
134399	Structure_Complexity	86.9
349094	Hydrogen_Bond_Donor_Count	1
6419912	Hydrogen_Bond_Acceptor_Count	42
11954319	Rotatable_Bond_Count	4
10658	Covalent_Unit_Count	1
11494412	Defined_Atom_Stereo_Count	2
71415	Tautomer_Count	3
153	Defined_Bond_Stereo_Count	0
12671690	Defined_Bond_Stereo_Count	0
46830291	Molecular_Weight	399.8
97383	Isotope_Atom_Count	0
12076	Hydrogen_Bond_Acceptor_Count	5
84148	Structure_Complexity	86.5
13082452	Mono_Isotopic_Weight	114.068079557
7013	Covalent_Unit_Count	1
7363	Total_Formal_Charge	0
58806244	Isotope_Atom_Count	0
21417244	Covalent_Unit_Count	1
66684	Hydrogen_Bond_Acceptor_Count	6
16038399	Molecular_Weight	373.4
34697	Total_Formal_Charge	0
5639	Defined_Atom_Stereo_Count	0
62432	Molecular_Weight	233.27
11547499	Defined_Atom_Stereo_Count	1
33630	Hydrogen_Bond_Acceptor_Count	7
6436628	Covalent_Unit_Count	2
2781	Undefined_Atom_Stereo_Count	2
6943	Undefined_Atom_Stereo_Count	0
91683	Non-hydrogen_Atom_Count	22
812042	Hydrogen_Bond_Acceptor_Count	2
255680	Molecular_Weight	191.18
76922	Structure_Complexity	92.3
81885	TPSA	27.7
90727	Defined_Atom_Stereo_Count	0
534012	XLogP3-AA	0.9
131709170	Hydrogen_Bond_Donor_Count	9
65039	Mono_Isotopic_Weight	378.12494298
5842000	Defined_Bond_Stereo_Count	1
673681	Molecular_Weight	155.18
70684298	TPSA	69
13018409	Undefined_Atom_Stereo_Count	0
680429	Molecular_Weight	338.4
97869	Defined_Bond_Stereo_Count	0
11192129	Total_Formal_Charge	0
5280373	Undefined_Bond_Stereo_Count	0
23706212	Total_Formal_Charge	0
20660020	Hydrogen_Bond_Donor_Count	1
115368	Molecular_Weight	426.6
219081	Rotatable_Bond_Count	5
1979	Mono_Isotopic_Weight	169.110278721
856	Molecular_Weight	426.7
153519852	Rotatable_Bond_Count	2
12318923	Covalent_Unit_Count	1
473148	Total_Formal_Charge	0
5486821	Isotope_Atom_Count	0
6165447	Mono_Isotopic_Weight	226.03381930
5249	Undefined_Atom_Stereo_Count	0
19702729	Hydrogen_Bond_Acceptor_Count	3
88191	Total_Formal_Charge	0
61254	Hydrogen_Bond_Acceptor_Count	3
59202444	Undefined_Bond_Stereo_Count	0
62235132	Rotatable_Bond_Count	2
85847719	TPSA	42.5
193516	Covalent_Unit_Count	1
9862937	Defined_Atom_Stereo_Count	0
151085	XLogP3-AA	0.2
454878	Hydrogen_Bond_Donor_Count	6
5289143	Undefined_Bond_Stereo_Count	0
387447	Tautomer_Count	4
81472	Rotatable_Bond_Count	3
22172474	Defined_Bond_Stereo_Count	0
6557	Total_Formal_Charge	0
38310	TPSA	46.3
11355464	Undefined_Atom_Stereo_Count	1
445715	Undefined_Bond_Stereo_Count	0
16654980	Molecular_Weight	410.4
21642823	Undefined_Bond_Stereo_Count	0
449015	Covalent_Unit_Count	1
21343371	Covalent_Unit_Count	1
133562767	Rotatable_Bond_Count	18
15617	Undefined_Bond_Stereo_Count	0
83193	Non-hydrogen_Atom_Count	10
86656004	Hydrogen_Bond_Acceptor_Count	3
60196412	Exact_Mass	587.28183511
12435	Defined_Atom_Stereo_Count	0
3526102	Undefined_Atom_Stereo_Count	0
1437	Exact_Mass	322.25079494
8667	Structure_Complexity	235
5387838	Defined_Atom_Stereo_Count	0
54601825	Tautomer_Count	1
54422686	Structure_Complexity	55.7
13157	Total_Formal_Charge	0
868031	Total_Formal_Charge	0
95559	Molecular_Weight	114.14
100933147	Defined_Bond_Stereo_Count	0
32801	TPSA	40.5
755	Covalent_Unit_Count	1
147895	Hydrogen_Bond_Donor_Count	4
80009	Mono_Isotopic_Weight	99.104799419
73977860	Isotope_Atom_Count	0
55008	Rotatable_Bond_Count	26
87815038	Covalent_Unit_Count	1
11063784	Isotope_Atom_Count	0
10953443	Undefined_Bond_Stereo_Count	0
5463411	Total_Formal_Charge	0
295864	Total_Formal_Charge	0
527559	Total_Formal_Charge	0
3082532	Undefined_Atom_Stereo_Count	2
190291	Defined_Atom_Stereo_Count	0
522266	XLogP3-AA	3.1
122362413	TPSA	202
12116847	Hydrogen_Bond_Acceptor_Count	4
65664	Tautomer_Count	1
6419719	Defined_Bond_Stereo_Count	0
260859	Non-hydrogen_Atom_Count	25
6539027	Molecular_Weight	437.5
15739356	Structure_Complexity	127
11725766	XLogP3-AA	4.7
3040551	Total_Formal_Charge	0
9816506	Exact_Mass	255.11201006
88589624	Non-hydrogen_Atom_Count	47
52141942	Non-hydrogen_Atom_Count	8
6918457	Undefined_Atom_Stereo_Count	0
85065	Hydrogen_Bond_Acceptor_Count	5
6540298	Undefined_Atom_Stereo_Count	0
6572	Total_Formal_Charge	0
123070	Mono_Isotopic_Weight	20.0564071114
2451	Undefined_Bond_Stereo_Count	0
13449768	Covalent_Unit_Count	1
76013	Defined_Bond_Stereo_Count	0
123264207	Undefined_Bond_Stereo_Count	0
179342	Hydrogen_Bond_Donor_Count	0
69889594	Undefined_Atom_Stereo_Count	1
6502	Mono_Isotopic_Weight	120.078644241
69160	Hydrogen_Bond_Donor_Count	3
69140538	TPSA	47.6
42471	Defined_Bond_Stereo_Count	0
87774825	Total_Formal_Charge	0
146395	Hydrogen_Bond_Donor_Count	3
119828	Hydrogen_Bond_Acceptor_Count	5
21443942	Covalent_Unit_Count	1
96509	Isotope_Atom_Count	0
6618	Covalent_Unit_Count	1
20253	Isotope_Atom_Count	0
124202907	Molecular_Weight	354.21
141093	Undefined_Atom_Stereo_Count	0
23422066	Exact_Mass	162.05416083
637668	Mono_Isotopic_Weight	178.062994177
41721	Rotatable_Bond_Count	1
66384	Hydrogen_Bond_Donor_Count	0
7048569	Undefined_Bond_Stereo_Count	0
71117	Rotatable_Bond_Count	5
26249	Hydrogen_Bond_Acceptor_Count	8
63025	Hydrogen_Bond_Donor_Count	1
23409	TPSA	67.8
3427828	Undefined_Bond_Stereo_Count	0
27914	Undefined_Bond_Stereo_Count	0
963	TPSA	347
17753867	Hydrogen_Bond_Donor_Count	1
44392131	Undefined_Atom_Stereo_Count	0
7153	Non-hydrogen_Atom_Count	14
656829	Tautomer_Count	1
8283	Mono_Isotopic_Weight	220.182715385
9843750	Isotope_Atom_Count	0
129905275	Hydrogen_Bond_Donor_Count	4
89143843	Covalent_Unit_Count	1
76959818	Mono_Isotopic_Weight	369.254203300
165857173	Hydrogen_Bond_Donor_Count	0
141831210	Covalent_Unit_Count	1
8854	XLogP3	0
6751	XLogP3-AA	3.6
662369	Covalent_Unit_Count	1
2687	Undefined_Atom_Stereo_Count	1
99564	TPSA	25.2
5287855	Hydrogen_Bond_Acceptor_Count	7
91214254	Covalent_Unit_Count	1
10017965	Undefined_Bond_Stereo_Count	0
564864	Rotatable_Bond_Count	2
24848419	TPSA	93.5
9539	Defined_Atom_Stereo_Count	0
89349945	Non-hydrogen_Atom_Count	8
64980	XLogP3-AA	6.2
35958	Tautomer_Count	1
18428363	Exact_Mass	92.037448136
20056625	Undefined_Atom_Stereo_Count	0
14570995	Rotatable_Bond_Count	1
6303	Undefined_Bond_Stereo_Count	0
70390	TPSA	41.1
242912	Undefined_Bond_Stereo_Count	0
5494425	Total_Formal_Charge	0
2801525	Rotatable_Bond_Count	2
30951	XLogP3	2.5
102470202	TPSA	264
440552	Isotope_Atom_Count	0
54676860	Covalent_Unit_Count	1
12196274	Defined_Atom_Stereo_Count	0
37858	Isotope_Atom_Count	0
70686373	Hydrogen_Bond_Donor_Count	2
91769	Hydrogen_Bond_Acceptor_Count	5
44321290	Mono_Isotopic_Weight	548.35151204
11592	Total_Formal_Charge	0
6184667	Tautomer_Count	1
24825272	Defined_Bond_Stereo_Count	0
447451	Tautomer_Count	30
11583	TPSA	17.1
24840146	Total_Formal_Charge	0
3246390	TPSA	93.4
6998296	Exact_Mass	146.08171824
73554303	Non-hydrogen_Atom_Count	13
91168	Structure_Complexity	143
23667628	Undefined_Atom_Stereo_Count	0
38018	Hydrogen_Bond_Acceptor_Count	0
24243	Undefined_Bond_Stereo_Count	0
9800194	Exact_Mass	383.09734851
643835	Structure_Complexity	35.3
137554722	Structure_Complexity	151
179547	Molecular_Weight	144.09
9964188	Undefined_Atom_Stereo_Count	2
24361	XLogP3-AA	2.4
193504	Mono_Isotopic_Weight	102.115698455
31635	Undefined_Bond_Stereo_Count	0
22340	Structure_Complexity	39.2
16682730	Undefined_Atom_Stereo_Count	0
628370	Defined_Atom_Stereo_Count	0
71208	Non-hydrogen_Atom_Count	12
18684904	Undefined_Bond_Stereo_Count	0
13707503	Structure_Complexity	101
66558664	Isotope_Atom_Count	0
71583494	Mono_Isotopic_Weight	413.18517499
118023034	Tautomer_Count	1
28424	Undefined_Atom_Stereo_Count	0
67030919	Structure_Complexity	68.6
35641	XLogP3-AA	2.5
11646829	Defined_Bond_Stereo_Count	0
31336	Non-hydrogen_Atom_Count	24
604	Rotatable_Bond_Count	5
15744	Undefined_Bond_Stereo_Count	0
86566	Mono_Isotopic_Weight	282.328651340
15953353	Rotatable_Bond_Count	11
17801140	Undefined_Bond_Stereo_Count	0
71362816	Undefined_Atom_Stereo_Count	1
5547	Mono_Isotopic_Weight	478.34469533
29756	Undefined_Bond_Stereo_Count	0
24085	Isotope_Atom_Count	0
120084	Structure_Complexity	30.7
16821	Rotatable_Bond_Count	7
88483174	Defined_Bond_Stereo_Count	0
7015	Non-hydrogen_Atom_Count	13
5284503	Hydrogen_Bond_Acceptor_Count	1
15256327	Covalent_Unit_Count	1
2724640	Total_Formal_Charge	0
3085267	Exact_Mass	274.06636548
102601142	Total_Formal_Charge	0
5282340	Hydrogen_Bond_Donor_Count	0
89421960	TPSA	29.5
59859430	Non-hydrogen_Atom_Count	23
11673085	Defined_Bond_Stereo_Count	0
12507028	Undefined_Bond_Stereo_Count	0
74889149	Mono_Isotopic_Weight	113.084063974
13042689	Non-hydrogen_Atom_Count	8
17462	Isotope_Atom_Count	0
430914	Defined_Bond_Stereo_Count	0
53728	Undefined_Atom_Stereo_Count	0
68901	Exact_Mass	265.06111730
449381	Hydrogen_Bond_Acceptor_Count	5
16395512	Non-hydrogen_Atom_Count	58
6057875	Total_Formal_Charge	0
44031	TPSA	16.6
23269081	TPSA	0
27854	Total_Formal_Charge	2
76172179	XLogP3-AA	3.1
5382853	XLogP3-AA	2.6
11017510	Hydrogen_Bond_Donor_Count	0
137719	Rotatable_Bond_Count	2
138077	Covalent_Unit_Count	1
15926139	Isotope_Atom_Count	0
14892	TPSA	40
87743	Molecular_Weight	378.25
9844833	Molecular_Weight	416.6
3033836	Structure_Complexity	196
635	Hydrogen_Bond_Donor_Count	4
15903	Exact_Mass	114.068079557
144702	Total_Formal_Charge	0
40308	Defined_Bond_Stereo_Count	0
68939	Undefined_Bond_Stereo_Count	0
1268252	Undefined_Bond_Stereo_Count	0
14250	Mono_Isotopic_Weight	335.21876
5323977	Structure_Complexity	152
179697	Tautomer_Count	4
161166	Isotope_Atom_Count	0
4093	Exact_Mass	86.036779430
23	Undefined_Atom_Stereo_Count	0
26964	Defined_Bond_Stereo_Count	0
12721	Undefined_Atom_Stereo_Count	0
518874	Isotope_Atom_Count	0
87298	TPSA	15.3
21121497	XLogP3-AA	1.6
134008	Hydrogen_Bond_Acceptor_Count	6
3593	Structure_Complexity	413
99010	Isotope_Atom_Count	0
154419142	Rotatable_Bond_Count	1
12487261	Exact_Mass	116.047344113
28207	Defined_Bond_Stereo_Count	0
10047141	Isotope_Atom_Count	0
137518	Defined_Bond_Stereo_Count	0
104748	Hydrogen_Bond_Acceptor_Count	4
246476	Structure_Complexity	496
146480	Tautomer_Count	5
134032	Hydrogen_Bond_Donor_Count	0
12539494	Mono_Isotopic_Weight	94.078250319
19748724	Defined_Atom_Stereo_Count	0
82418996	TPSA	75.8
80145	Undefined_Atom_Stereo_Count	0
131751341	Molecular_Weight	513.5
54580845	TPSA	34.2
443111	Total_Formal_Charge	0
5378708	Total_Formal_Charge	0
3068367	Structure_Complexity	756
90895196	Hydrogen_Bond_Donor_Count	5
21325329	Covalent_Unit_Count	1
44144829	Total_Formal_Charge	0
54692950	Tautomer_Count	1000
83904774	XLogP3-AA	0.2
725	Structure_Complexity	110
14475	XLogP3	2.9
9948588	Exact_Mass	309.184112366
11205	Exact_Mass	331.66925
99894	Hydrogen_Bond_Donor_Count	1
344693	TPSA	37.3
9050	Defined_Atom_Stereo_Count	1
2521	Molecular_Weight	622.5
2815	Molecular_Weight	294.50
84151	Total_Formal_Charge	0
12397138	Non-hydrogen_Atom_Count	7
18439449	Mono_Isotopic_Weight	115.063328530
66000	XLogP3-AA	1.5
54460486	Isotope_Atom_Count	0
107250	Defined_Bond_Stereo_Count	0
73759663	TPSA	93.1
6436055	Exact_Mass	453.07767569
56613357	Rotatable_Bond_Count	0
69777	Hydrogen_Bond_Acceptor_Count	6
6428543	XLogP3-AA	1.7
53396299	Defined_Bond_Stereo_Count	0
5354284	Undefined_Bond_Stereo_Count	0
6318	Total_Formal_Charge	0
70040	Covalent_Unit_Count	1
26191	Molecular_Weight	278.78
10627323	TPSA	105
68405	Covalent_Unit_Count	3
11261	Total_Formal_Charge	0
16665100	Mono_Isotopic_Weight	461.23145648
53877022	Hydrogen_Bond_Donor_Count	0
11983193	Rotatable_Bond_Count	12
12241083	Defined_Atom_Stereo_Count	0
20256	Hydrogen_Bond_Donor_Count	2
3789	Isotope_Atom_Count	0
105145	Mono_Isotopic_Weight	68.92557
44589090	Total_Formal_Charge	0
102286157	Structure_Complexity	333
21987892	Isotope_Atom_Count	0
3017434	Structure_Complexity	72.9
9843744	Covalent_Unit_Count	1
26816	Hydrogen_Bond_Donor_Count	1
7657	Structure_Complexity	137
92765	Tautomer_Count	1
6536	TPSA	32.7
12200171	Non-hydrogen_Atom_Count	8
39272	Undefined_Bond_Stereo_Count	0
139033724	Mono_Isotopic_Weight	3035.1547236
170317	Non-hydrogen_Atom_Count	23
186100	Rotatable_Bond_Count	4
5103	Molecular_Weight	516.5
12381421	Exact_Mass	96.057514874
137228068	Isotope_Atom_Count	0
22281424	Hydrogen_Bond_Acceptor_Count	2
1834	Defined_Atom_Stereo_Count	0
4366885	Defined_Bond_Stereo_Count	0
17162	XLogP3-AA	2.9
3803614	XLogP3-AA	0.6
6526	Defined_Atom_Stereo_Count	0
47316	Rotatable_Bond_Count	6
11858153	TPSA	138
60921	Defined_Atom_Stereo_Count	0
21946307	Defined_Bond_Stereo_Count	0
77	Structure_Complexity	198
23279533	Hydrogen_Bond_Acceptor_Count	3
9737	Defined_Bond_Stereo_Count	0
5281764	Rotatable_Bond_Count	11
524670	TPSA	0
136437	Non-hydrogen_Atom_Count	4
129668601	Rotatable_Bond_Count	3
21093784	Total_Formal_Charge	0
57286318	Defined_Atom_Stereo_Count	0
19648	Isotope_Atom_Count	0
16063245	Mono_Isotopic_Weight	530.17904181
11240435	Undefined_Atom_Stereo_Count	0
5378825	Hydrogen_Bond_Donor_Count	1
18392	Isotope_Atom_Count	0
35020890	Molecular_Weight	334.4
78493	Hydrogen_Bond_Acceptor_Count	1
20770532	Covalent_Unit_Count	1
521196	Defined_Atom_Stereo_Count	0
59172784	Molecular_Weight	95.14
129827453	Undefined_Bond_Stereo_Count	0
27211	TPSA	20.3
694857	Total_Formal_Charge	0
10350561	Mono_Isotopic_Weight	841.44598505
437721	Structure_Complexity	91.7
1010	Total_Formal_Charge	0
23696271	Isotope_Atom_Count	0
3037886	Molecular_Weight	231.33
4349	Molecular_Weight	467.6
2734952	Covalent_Unit_Count	3
84623	Defined_Bond_Stereo_Count	0
2752638	Non-hydrogen_Atom_Count	13
88553883	Molecular_Weight	100.07
62403	Hydrogen_Bond_Donor_Count	15
56120	Non-hydrogen_Atom_Count	18
25005580	Rotatable_Bond_Count	7
131876601	Hydrogen_Bond_Acceptor_Count	16
159609	Hydrogen_Bond_Acceptor_Count	1
575101	Covalent_Unit_Count	1
2116	Non-hydrogen_Atom_Count	31
81364	Tautomer_Count	1
2212	Rotatable_Bond_Count	11
42231	Undefined_Bond_Stereo_Count	0
10219398	Mono_Isotopic_Weight	111.032028402
23293	Covalent_Unit_Count	1
5361092	Hydrogen_Bond_Donor_Count	2
15174915	Exact_Mass	360.16852187
5288672	Undefined_Atom_Stereo_Count	0
59896759	Total_Formal_Charge	0
134925337	Defined_Bond_Stereo_Count	0
59330719	Undefined_Atom_Stereo_Count	0
5370481	TPSA	74.6
10414749	Undefined_Bond_Stereo_Count	0
967126	Undefined_Atom_Stereo_Count	0
37094	Defined_Atom_Stereo_Count	1
3084447	Mono_Isotopic_Weight	297.1495567
70789197	Defined_Atom_Stereo_Count	9
10455790	Hydrogen_Bond_Acceptor_Count	4
12037	Mono_Isotopic_Weight	354.13617637
13349549	Defined_Atom_Stereo_Count	0
3610	Rotatable_Bond_Count	5
73895182	Non-hydrogen_Atom_Count	23
15396543	Isotope_Atom_Count	0
24870942	Structure_Complexity	1220
56845689	Total_Formal_Charge	0
5225092	Rotatable_Bond_Count	7
71562	Defined_Bond_Stereo_Count	0
66577038	Rotatable_Bond_Count	9
66201	XLogP3-AA	0.6
14218	Hydrogen_Bond_Acceptor_Count	4
3683	Structure_Complexity	602
22728753	Covalent_Unit_Count	1
44521017	Defined_Atom_Stereo_Count	0
4205687	Defined_Atom_Stereo_Count	0
19734140	Undefined_Bond_Stereo_Count	0
57548589	Total_Formal_Charge	0
163488608	Structure_Complexity	113
558148	Non-hydrogen_Atom_Count	7
45116617	Mono_Isotopic_Weight	101.084063974
79242	Hydrogen_Bond_Donor_Count	2
3480138	Covalent_Unit_Count	1
73415804	Isotope_Atom_Count	0
59750537	XLogP3-AA	1
104276777	Molecular_Weight	110.15
90915688	Defined_Atom_Stereo_Count	0
31222	Hydrogen_Bond_Acceptor_Count	2
67242154	Non-hydrogen_Atom_Count	8
6537	Defined_Atom_Stereo_Count	0
443131	XLogP3	3.3
32603	Exact_Mass	504.1462019
9855454	Undefined_Atom_Stereo_Count	1
20576	Isotope_Atom_Count	0
60196293	Rotatable_Bond_Count	3
87349895	TPSA	60.7
194383	Hydrogen_Bond_Acceptor_Count	11
6793	Hydrogen_Bond_Donor_Count	2
2400	Tautomer_Count	3
5362440	Defined_Bond_Stereo_Count	0
19540	Rotatable_Bond_Count	4
141627366	Defined_Atom_Stereo_Count	0
11524144	Exact_Mass	399.20591044
878	Covalent_Unit_Count	1
5384200	Undefined_Atom_Stereo_Count	0
11073376	Hydrogen_Bond_Donor_Count	2
854749	Exact_Mass	248.094963011
3552	Hydrogen_Bond_Acceptor_Count	5
54675783	TPSA	165
25142175	Covalent_Unit_Count	1
18597	Mono_Isotopic_Weight	150.104465066
21679645	Defined_Bond_Stereo_Count	0
20977	XLogP3-AA	0.5
91754484	Non-hydrogen_Atom_Count	26
45278337	Mono_Isotopic_Weight	421.28983728
143060	Rotatable_Bond_Count	1
8672	TPSA	64.9
5287571	Undefined_Bond_Stereo_Count	0
122214397	Undefined_Atom_Stereo_Count	0
907457	Total_Formal_Charge	0
18626415	Molecular_Weight	102.13
14813	Mono_Isotopic_Weight	321.78220
401171	Non-hydrogen_Atom_Count	17
66494	Total_Formal_Charge	0
10196873	Non-hydrogen_Atom_Count	43
16667736	Hydrogen_Bond_Donor_Count	2
23665731	Isotope_Atom_Count	0
104975	Non-hydrogen_Atom_Count	15
20774103	Undefined_Atom_Stereo_Count	1
313215	Defined_Atom_Stereo_Count	0
6657	Non-hydrogen_Atom_Count	7
13556	Defined_Bond_Stereo_Count	0
3397	Isotope_Atom_Count	0
22612	Undefined_Bond_Stereo_Count	0
2733244	Structure_Complexity	108
100165	Undefined_Atom_Stereo_Count	2
57448758	Hydrogen_Bond_Donor_Count	9
69070	Covalent_Unit_Count	1
17131	Total_Formal_Charge	0
1222	Covalent_Unit_Count	1
67781	Rotatable_Bond_Count	0
6518189	Defined_Atom_Stereo_Count	0
66316	Structure_Complexity	260
1202	Covalent_Unit_Count	1
85787452	Structure_Complexity	134
20483617	Non-hydrogen_Atom_Count	8
2771758	Defined_Bond_Stereo_Count	0
3744660	Undefined_Bond_Stereo_Count	0
234818	Exact_Mass	309.172878976
62705863	Defined_Bond_Stereo_Count	0
620625	XLogP3-AA	1
33567	Structure_Complexity	2
71191	Total_Formal_Charge	0
141354627	TPSA	59.4
21880519	Exact_Mass	144.151415257
42890	Structure_Complexity	912
14782	Total_Formal_Charge	0
61508	Isotope_Atom_Count	0
6632	Defined_Atom_Stereo_Count	0
10355	Total_Formal_Charge	0
22628430	Hydrogen_Bond_Donor_Count	0
21117215	Undefined_Atom_Stereo_Count	2
9494	Covalent_Unit_Count	1
5801	Hydrogen_Bond_Acceptor_Count	2
62995	Defined_Bond_Stereo_Count	0
134506	Exact_Mass	288.208930132
40113	Defined_Atom_Stereo_Count	0
5362712	Total_Formal_Charge	0
22833295	Exact_Mass	766.30363561
2783176	Exact_Mass	115.02335542
75394	Structure_Complexity	118
53677339	Defined_Atom_Stereo_Count	0
148022	XLogP3-AA	0.2
23669619	Defined_Bond_Stereo_Count	0
4418	TPSA	45.2
6427071	Undefined_Atom_Stereo_Count	0
118705485	Structure_Complexity	426
9892539	Mono_Isotopic_Weight	509.1751200
557495	Covalent_Unit_Count	1
71467	Isotope_Atom_Count	0
4686	Exact_Mass	434.21046687
54567	Undefined_Bond_Stereo_Count	0
165664742	Mono_Isotopic_Weight	98.036779430
1561	Isotope_Atom_Count	0
26068	Hydrogen_Bond_Donor_Count	1
50317	XLogP3-AA	3.6
5746249	Undefined_Bond_Stereo_Count	0
58077	Structure_Complexity	422
12599701	Structure_Complexity	63.1
70240	Undefined_Bond_Stereo_Count	0
11454753	Hydrogen_Bond_Acceptor_Count	6
740525	Defined_Atom_Stereo_Count	1
64965	Exact_Mass	413.03098
56646651	Non-hydrogen_Atom_Count	26
22563	Undefined_Bond_Stereo_Count	0
12759	Hydrogen_Bond_Acceptor_Count	1
17910644	Rotatable_Bond_Count	0
10402760	Rotatable_Bond_Count	6
146156670	Total_Formal_Charge	0
14263	Rotatable_Bond_Count	0
4179	Isotope_Atom_Count	0
93558	Non-hydrogen_Atom_Count	17
11271730	Total_Formal_Charge	0
92386	Undefined_Atom_Stereo_Count	0
22983309	Molecular_Weight	110.20
14619629	Hydrogen_Bond_Donor_Count	1
21835032	TPSA	12
66137	TPSA	0
592279	Defined_Atom_Stereo_Count	0
178024	TPSA	130
7864	Structure_Complexity	10
68026923	XLogP3-AA	1.2
3598879	Exact_Mass	165.06122053
57399142	Mono_Isotopic_Weight	389.0268720
277767	Non-hydrogen_Atom_Count	18
63963	Covalent_Unit_Count	1
12241264	Defined_Atom_Stereo_Count	2
10236005	Defined_Atom_Stereo_Count	1
17860	Undefined_Atom_Stereo_Count	0
60924	Hydrogen_Bond_Acceptor_Count	4
148350	Undefined_Atom_Stereo_Count	1
12933280	Undefined_Bond_Stereo_Count	0
409409	Defined_Bond_Stereo_Count	0
48845	Covalent_Unit_Count	1
65635	Hydrogen_Bond_Acceptor_Count	4
16217852	Non-hydrogen_Atom_Count	9
23724827	Covalent_Unit_Count	3
16142	Rotatable_Bond_Count	2
44338843	Hydrogen_Bond_Donor_Count	3
3153	TPSA	66.5
88789571	Defined_Bond_Stereo_Count	0
6418	Total_Formal_Charge	0
11442292	Covalent_Unit_Count	1
8670	Hydrogen_Bond_Donor_Count	1
9952446	Covalent_Unit_Count	1
53822679	Structure_Complexity	76.1
112029	Hydrogen_Bond_Donor_Count	1
915014	Non-hydrogen_Atom_Count	26
2147	Rotatable_Bond_Count	0
135412736	Tautomer_Count	1
83904778	Undefined_Atom_Stereo_Count	0
20314	Non-hydrogen_Atom_Count	8
6420071	Covalent_Unit_Count	2
544629	Isotope_Atom_Count	0
37910	Defined_Atom_Stereo_Count	0
73943	Undefined_Bond_Stereo_Count	0
121025	Non-hydrogen_Atom_Count	14
153400963	Structure_Complexity	92.4
1715135	Defined_Bond_Stereo_Count	1
22260381	Hydrogen_Bond_Acceptor_Count	3
156212	Hydrogen_Bond_Donor_Count	0
452949	Defined_Atom_Stereo_Count	8
141260926	Rotatable_Bond_Count	0
7929	Molecular_Weight	106.16
7612	Non-hydrogen_Atom_Count	5
1993	Isotope_Atom_Count	0
595161	XLogP3-AA	1.7
2059	Non-hydrogen_Atom_Count	25
74168	Structure_Complexity	67.4
6971098	Hydrogen_Bond_Donor_Count	5
439950	Defined_Atom_Stereo_Count	0
67963	Exact_Mass	195.0062613
83167	Total_Formal_Charge	0
72566	Defined_Atom_Stereo_Count	0
138024	Hydrogen_Bond_Donor_Count	0
42395	Undefined_Bond_Stereo_Count	0
15679	Exact_Mass	288.04160728
143466591	Defined_Atom_Stereo_Count	0
16004	Exact_Mass	230.899010
129704588	Hydrogen_Bond_Donor_Count	3
117072551	XLogP3-AA	4.4
24759089	Isotope_Atom_Count	0
117439	Exact_Mass	281.12632271
11269297	Hydrogen_Bond_Donor_Count	3
3009363	Isotope_Atom_Count	0
830033	Defined_Bond_Stereo_Count	0
28620	Molecular_Weight	943.1
16102855	Non-hydrogen_Atom_Count	35
4743	Undefined_Atom_Stereo_Count	7
5351564	Tautomer_Count	1
529308	Molecular_Weight	86.13
572717	XLogP3-AA	1.8
10866664	Molecular_Weight	164.16
14171936	Covalent_Unit_Count	1
71624344	Defined_Atom_Stereo_Count	0
4202286	Covalent_Unit_Count	1
16133899	Molecular_Weight	6094
130510864	Structure_Complexity	94
22594387	Isotope_Atom_Count	0
72604488	Structure_Complexity	88.2
167085	Undefined_Atom_Stereo_Count	0
44517	Defined_Bond_Stereo_Count	0
22831357	Mono_Isotopic_Weight	154.135765193
72200720	Undefined_Atom_Stereo_Count	0
46451	TPSA	30.5
574495	Structure_Complexity	682
87552098	Undefined_Bond_Stereo_Count	0
30976	Hydrogen_Bond_Acceptor_Count	5
76292	Non-hydrogen_Atom_Count	12
67465	Undefined_Bond_Stereo_Count	0
69588	TPSA	28.7
76658	Structure_Complexity	192
11782763	Exact_Mass	94.041864811
11286453	XLogP3-AA	0.2
12743050	Defined_Atom_Stereo_Count	0
69501250	TPSA	73.6
65407	Hydrogen_Bond_Donor_Count	3
10526	Mono_Isotopic_Weight	398.20932405
135449331	Hydrogen_Bond_Acceptor_Count	11
11858	Undefined_Bond_Stereo_Count	0
6436135	Defined_Bond_Stereo_Count	1
23646072	Mono_Isotopic_Weight	515.22810243
34203	XLogP3-AA	2
14251035	Undefined_Bond_Stereo_Count	0
56626310	Exact_Mass	226.110613074
5281426	Undefined_Bond_Stereo_Count	0
5353985	Hydrogen_Bond_Acceptor_Count	11
187079	Non-hydrogen_Atom_Count	30
11753673	Exact_Mass	597.33150487
60209583	Hydrogen_Bond_Donor_Count	1
89253146	Undefined_Bond_Stereo_Count	0
13083763	Covalent_Unit_Count	1
4323059	Exact_Mass	138.05932639
267	TPSA	573
21445949	Hydrogen_Bond_Donor_Count	2
40391	Hydrogen_Bond_Donor_Count	0
8489	Total_Formal_Charge	0
105031	Defined_Bond_Stereo_Count	0
6933312	Isotope_Atom_Count	0
136516	Covalent_Unit_Count	1
70312242	Covalent_Unit_Count	1
8396	Undefined_Atom_Stereo_Count	0
83907	Tautomer_Count	1
14813	Defined_Atom_Stereo_Count	0
11685945	Hydrogen_Bond_Donor_Count	7
57322830	Molecular_Weight	116.11
56841975	Non-hydrogen_Atom_Count	23
138860	Mono_Isotopic_Weight	104.062600255
67406	Total_Formal_Charge	0
28594	Isotope_Atom_Count	0
45791267	Exact_Mass	134.059246208
2734117	Structure_Complexity	281
177085	Covalent_Unit_Count	1
445302	Total_Formal_Charge	0
69215	Hydrogen_Bond_Donor_Count	0
137017	Total_Formal_Charge	0
681	Hydrogen_Bond_Donor_Count	3
447634	Isotope_Atom_Count	0
2543	Defined_Bond_Stereo_Count	0
135247704	Exact_Mass	115.063328530
498158	Tautomer_Count	54
520362	Structure_Complexity	101
90736006	Molecular_Weight	110.20
10131269	Mono_Isotopic_Weight	254.0345865
129671450	Covalent_Unit_Count	1
72182	Defined_Bond_Stereo_Count	0
21210	Mono_Isotopic_Weight	132.115029749
3751958	Total_Formal_Charge	1
21044269	Total_Formal_Charge	0
16095274	Covalent_Unit_Count	1
702289	Defined_Bond_Stereo_Count	0
9954739	Covalent_Unit_Count	1
70039	Non-hydrogen_Atom_Count	16
17326	Undefined_Atom_Stereo_Count	0
75881	Rotatable_Bond_Count	6
6161490	Structure_Complexity	234
133082588	Covalent_Unit_Count	2
631271	Molecular_Weight	344.4
443101	Non-hydrogen_Atom_Count	34
108007	Exact_Mass	619.175549
9570438	Defined_Atom_Stereo_Count	0
13314	Total_Formal_Charge	0
447029	Defined_Bond_Stereo_Count	0
570603	Mono_Isotopic_Weight	106.053098200
54311466	Mono_Isotopic_Weight	103.063328530
28280	Undefined_Bond_Stereo_Count	0
3804189	Undefined_Bond_Stereo_Count	0
3267139	Covalent_Unit_Count	1
23270355	Undefined_Atom_Stereo_Count	0
10474339	Mono_Isotopic_Weight	370.0332044
30215	Defined_Atom_Stereo_Count	0
136096147	Defined_Bond_Stereo_Count	0
449035	Defined_Bond_Stereo_Count	0
115069	Non-hydrogen_Atom_Count	24
71391	Mono_Isotopic_Weight	260.05321734
9989264	TPSA	17.8
170018	Undefined_Bond_Stereo_Count	0
59018485	Hydrogen_Bond_Donor_Count	0
232326	Structure_Complexity	441
52918379	Structure_Complexity	617
565574	Isotope_Atom_Count	0
13054977	Exact_Mass	109.063997236
13932051	Molecular_Weight	128.17
13684981	Mono_Isotopic_Weight	104.047344113
71622	Hydrogen_Bond_Acceptor_Count	6
11949689	Structure_Complexity	538
8342	Covalent_Unit_Count	1
10087998	XLogP3	3.5
6450830	Total_Formal_Charge	0
5284402	Defined_Atom_Stereo_Count	0
12596780	TPSA	17.1
134694302	Exact_Mass	478.842666
66588767	Molecular_Weight	582.6
734884	Undefined_Atom_Stereo_Count	0
439456	Rotatable_Bond_Count	6
129893562	Hydrogen_Bond_Donor_Count	11
237031	Mono_Isotopic_Weight	112.063662883
101906815	Structure_Complexity	5530
10887868	Isotope_Atom_Count	0
133121364	Rotatable_Bond_Count	1
57725	Tautomer_Count	1
45488111	Mono_Isotopic_Weight	444.12093841
199402	Hydrogen_Bond_Donor_Count	18
10184665	Hydrogen_Bond_Acceptor_Count	6
5319022	Covalent_Unit_Count	1
197344	Defined_Atom_Stereo_Count	0
10243599	Defined_Bond_Stereo_Count	0
54479104	Exact_Mass	101.084063974
9457	Defined_Bond_Stereo_Count	0
25849	Rotatable_Bond_Count	5
16719	Undefined_Bond_Stereo_Count	0
2829432	Isotope_Atom_Count	0
169969	Molecular_Weight	68.08
45467	Hydrogen_Bond_Acceptor_Count	6
59018485	Hydrogen_Bond_Acceptor_Count	1
69319	Undefined_Bond_Stereo_Count	0
10872638	Undefined_Atom_Stereo_Count	0
92600	TPSA	74.6
11093674	Exact_Mass	98.073164938
11636816	Defined_Bond_Stereo_Count	0
23678597	Total_Formal_Charge	0
134687950	TPSA	173
86063	Rotatable_Bond_Count	2
21867279	Defined_Atom_Stereo_Count	0
23676736	Non-hydrogen_Atom_Count	30
134537	Mono_Isotopic_Weight	526.1441542
636345	Exact_Mass	880.1479789
9983292	Undefined_Bond_Stereo_Count	0
66550979	Rotatable_Bond_Count	7
40898	Defined_Bond_Stereo_Count	0
44242939	Isotope_Atom_Count	0
17234	Defined_Bond_Stereo_Count	0
91555	TPSA	52
25271884	XLogP3-AA	2.2
153976605	TPSA	49.3
134860471	Rotatable_Bond_Count	1
1548943	Total_Formal_Charge	0
11953808	Structure_Complexity	1520
11297955	Undefined_Atom_Stereo_Count	1
3363	Defined_Bond_Stereo_Count	0
22505043	Defined_Atom_Stereo_Count	0
69674601	Hydrogen_Bond_Donor_Count	1
7716	XLogP3	7.7
16682730	Hydrogen_Bond_Acceptor_Count	2
219096	TPSA	23.5
1549098	Covalent_Unit_Count	1
18867	Exact_Mass	224.094963011
12598	Tautomer_Count	2
9967055	Defined_Atom_Stereo_Count	4
23681909	Mono_Isotopic_Weight	886.0546507
6326947	Undefined_Bond_Stereo_Count	0
71453618	Exact_Mass	392.0927701
21922278	Defined_Atom_Stereo_Count	0
258	Non-hydrogen_Atom_Count	30
24759094	Non-hydrogen_Atom_Count	32
14868106	Isotope_Atom_Count	0
129655960	Hydrogen_Bond_Acceptor_Count	9
56638112	Defined_Bond_Stereo_Count	0
71311162	Exact_Mass	484.072670
45214	Hydrogen_Bond_Donor_Count	1
25195346	Non-hydrogen_Atom_Count	35
16666	Structure_Complexity	120
3035668	Rotatable_Bond_Count	1
6539038	Defined_Atom_Stereo_Count	0
54961	TPSA	31.7
71208	Covalent_Unit_Count	1
22522	Non-hydrogen_Atom_Count	17
445319	Isotope_Atom_Count	0
5311027	Covalent_Unit_Count	1
3833001	Structure_Complexity	240
6974	Hydrogen_Bond_Donor_Count	0
123933412	Structure_Complexity	174
116021439	Mono_Isotopic_Weight	113.084063974
211468	Total_Formal_Charge	0
5353422	Hydrogen_Bond_Donor_Count	1
3033690	Structure_Complexity	582
7327	Isotope_Atom_Count	0
15475284	Total_Formal_Charge	0
2812	Structure_Complexity	396
90843502	Undefined_Bond_Stereo_Count	0
123133923	Undefined_Atom_Stereo_Count	0
6992039	Hydrogen_Bond_Donor_Count	3
61309780	Isotope_Atom_Count	0
3000	XLogP3	2.3
31923	Molecular_Weight	341.5
40500	Tautomer_Count	1
10051341	Molecular_Weight	492.6
44864	Undefined_Bond_Stereo_Count	0
107771	TPSA	73.8
87438806	Defined_Atom_Stereo_Count	0
20669981	Hydrogen_Bond_Donor_Count	0
9543050	TPSA	426
12570	Structure_Complexity	90.7
40855	TPSA	132
15139	Defined_Atom_Stereo_Count	0
448372	Undefined_Bond_Stereo_Count	0
53232	Rotatable_Bond_Count	7
280	XLogP3-AA	0.9
9689	XLogP3-AA	2.8
51136438	Structure_Complexity	261
54753	Defined_Bond_Stereo_Count	0
92185	Covalent_Unit_Count	1
3337411	Defined_Atom_Stereo_Count	0
556498	Undefined_Atom_Stereo_Count	4
17076	Isotope_Atom_Count	0
54891	Structure_Complexity	648
144608711	Hydrogen_Bond_Donor_Count	1
71455340	Undefined_Atom_Stereo_Count	1
4627783	TPSA	17.1
636402	Rotatable_Bond_Count	4
25142043	Mono_Isotopic_Weight	408.19615422
53815669	Hydrogen_Bond_Acceptor_Count	2
118318030	Defined_Bond_Stereo_Count	0
5702160	Total_Formal_Charge	0
1084	Defined_Bond_Stereo_Count	0
16097	Undefined_Bond_Stereo_Count	0
57136075	Molecular_Weight	97.16
65940	Total_Formal_Charge	0
45280821	Defined_Bond_Stereo_Count	0
41541	XLogP3	5.9
544588	Covalent_Unit_Count	1
46841787	Hydrogen_Bond_Donor_Count	1
10026007	Covalent_Unit_Count	2
16113753	Hydrogen_Bond_Acceptor_Count	5
1438038	Undefined_Bond_Stereo_Count	0
6441265	Covalent_Unit_Count	1
93154	Undefined_Atom_Stereo_Count	1
13478	Hydrogen_Bond_Acceptor_Count	9
23665591	Exact_Mass	237.00395384
62779	Isotope_Atom_Count	0
288549	Hydrogen_Bond_Donor_Count	0
436543	Rotatable_Bond_Count	1
54479104	Defined_Atom_Stereo_Count	0
11768526	Rotatable_Bond_Count	3
3732019	TPSA	29.8
931	Defined_Bond_Stereo_Count	0
5250507	Non-hydrogen_Atom_Count	16
80881	Defined_Atom_Stereo_Count	0
9797059	Defined_Bond_Stereo_Count	0
9966051	Tautomer_Count	4
616631	Exact_Mass	235.12084340
71308696	Defined_Bond_Stereo_Count	0
65478	Defined_Bond_Stereo_Count	0
136477	Total_Formal_Charge	0
3835970	Defined_Bond_Stereo_Count	0
51886	Hydrogen_Bond_Acceptor_Count	4
5282437	Non-hydrogen_Atom_Count	40
144798	Structure_Complexity	37.5
59446219	Isotope_Atom_Count	0
9864348	Defined_Bond_Stereo_Count	0
4619	Rotatable_Bond_Count	13
60196398	Exact_Mass	676.30296691
10115	Undefined_Bond_Stereo_Count	0
164668700	Non-hydrogen_Atom_Count	8
441073	Hydrogen_Bond_Donor_Count	1
1505	Rotatable_Bond_Count	2
6051	Defined_Atom_Stereo_Count	0
61453	Covalent_Unit_Count	1
34170	Structure_Complexity	143
4513	Exact_Mass	331.11366728
398743	Defined_Bond_Stereo_Count	0
22129037	Non-hydrogen_Atom_Count	8
83953	Defined_Bond_Stereo_Count	0
18673160	XLogP3-AA	3.4
17354	Defined_Bond_Stereo_Count	0
373735	Structure_Complexity	63.5
75931	Exact_Mass	400.287849157
3279	Rotatable_Bond_Count	9
60966	Rotatable_Bond_Count	0
9904746	Non-hydrogen_Atom_Count	19
72048	Total_Formal_Charge	0
79717	Defined_Bond_Stereo_Count	0
20146588	Undefined_Atom_Stereo_Count	0
82185	Hydrogen_Bond_Donor_Count	1
13737991	Molecular_Weight	88.11
56948400	Hydrogen_Bond_Donor_Count	5
210172	TPSA	53.1
8606	Undefined_Atom_Stereo_Count	2
54375073	Defined_Atom_Stereo_Count	0
6445008	Defined_Bond_Stereo_Count	1
30921	Exact_Mass	297.1495567
11954359	Defined_Bond_Stereo_Count	0
23599502	TPSA	60.6
6918584	Molecular_Weight	2178.0
76958	Rotatable_Bond_Count	19
152807	Rotatable_Bond_Count	0
881	Exact_Mass	15.0234750957
457302	Exact_Mass	670.31914349
5484	Hydrogen_Bond_Donor_Count	0
163050679	Exact_Mass	284.16237386
720637	Isotope_Atom_Count	0
9897	Mono_Isotopic_Weight	144.03981395
52948146	Total_Formal_Charge	0
129760006	Molecular_Weight	1930.4
153903	XLogP3-AA	1.1
142883	Hydrogen_Bond_Donor_Count	0
12646624	TPSA	38
5702049	Defined_Bond_Stereo_Count	0
15661697	Molecular_Weight	114.10
76113449	Mono_Isotopic_Weight	110.073164938
21783	Exact_Mass	237.10010796
6436059	Covalent_Unit_Count	1
147740	Tautomer_Count	90
5289531	Defined_Bond_Stereo_Count	0
4416	Undefined_Bond_Stereo_Count	0
11992	Defined_Atom_Stereo_Count	0
269842	Structure_Complexity	362
3497012	Undefined_Atom_Stereo_Count	0
67375395	Mono_Isotopic_Weight	411.16952493
54250649	Defined_Atom_Stereo_Count	0
11969465	Defined_Bond_Stereo_Count	0
232656	Structure_Complexity	120
31401	Isotope_Atom_Count	0
13364	Tautomer_Count	1
3032296	Undefined_Atom_Stereo_Count	0
12285822	Rotatable_Bond_Count	3
349713	Exact_Mass	114.068079557
6254	Mono_Isotopic_Weight	395.97220756
321054	Molecular_Weight	486.5
455799	Covalent_Unit_Count	2
14241464	TPSA	42.5
40701	Hydrogen_Bond_Acceptor_Count	2
125702	XLogP3-AA	2.3
41649	Mono_Isotopic_Weight	373.1080858
1463	Isotope_Atom_Count	0
18087	Non-hydrogen_Atom_Count	11
60956	Non-hydrogen_Atom_Count	38
44521019	Undefined_Bond_Stereo_Count	0
55331	Defined_Bond_Stereo_Count	0
1422	Total_Formal_Charge	0
21225236	Covalent_Unit_Count	1
5599	Undefined_Atom_Stereo_Count	0
5388962	Undefined_Atom_Stereo_Count	0
11704101	Mono_Isotopic_Weight	403.16443955
66908001	Covalent_Unit_Count	1
821629	Undefined_Bond_Stereo_Count	0
20226552	Rotatable_Bond_Count	0
8809	Defined_Bond_Stereo_Count	0
17860191	Undefined_Atom_Stereo_Count	0
15559221	Defined_Bond_Stereo_Count	0
21414	Hydrogen_Bond_Acceptor_Count	1
7568485	TPSA	9.2
9834591	TPSA	143
94791	Total_Formal_Charge	0
8136	Hydrogen_Bond_Donor_Count	0
917	Hydrogen_Bond_Donor_Count	3
816	Isotope_Atom_Count	0
8122	Rotatable_Bond_Count	18
15004989	Undefined_Atom_Stereo_Count	1
2729103	Defined_Atom_Stereo_Count	0
1130	Mono_Isotopic_Weight	265.11230735
86373	Molecular_Weight	774.13
10964456	Structure_Complexity	103
12653319	Molecular_Weight	117.15
19849296	Covalent_Unit_Count	1
6917715	TPSA	37.3
25835	Total_Formal_Charge	0
12219859	Non-hydrogen_Atom_Count	8
21041051	Undefined_Atom_Stereo_Count	0
25674	Hydrogen_Bond_Acceptor_Count	4
91583	Rotatable_Bond_Count	5
4651115	TPSA	112
3586	Total_Formal_Charge	0
626738	Defined_Atom_Stereo_Count	0
25875	Undefined_Bond_Stereo_Count	0
8472	Covalent_Unit_Count	1
9147	Non-hydrogen_Atom_Count	15
24838	Undefined_Atom_Stereo_Count	1
21326740	Hydrogen_Bond_Donor_Count	2
91065259	Rotatable_Bond_Count	0
15016080	TPSA	48.9
45266646	Structure_Complexity	1110
59252	Hydrogen_Bond_Acceptor_Count	3
13245088	Mono_Isotopic_Weight	114.068079557
12921774	Covalent_Unit_Count	1
129801083	Defined_Atom_Stereo_Count	0
64113	Mono_Isotopic_Weight	541.2496051
737374	Isotope_Atom_Count	0
67503	Isotope_Atom_Count	0
13112141	Non-hydrogen_Atom_Count	8
78423090	Structure_Complexity	291
79865794	Mono_Isotopic_Weight	112.088815002
121489349	Hydrogen_Bond_Donor_Count	25
53857340	Defined_Atom_Stereo_Count	10
12866541	Defined_Atom_Stereo_Count	0
66908	Defined_Atom_Stereo_Count	0
84647665	Structure_Complexity	134
4100	Defined_Bond_Stereo_Count	0
12242919	Covalent_Unit_Count	1
11565240	TPSA	74.5
4790	Molecular_Weight	260.4
3642	Rotatable_Bond_Count	6
79724	Hydrogen_Bond_Acceptor_Count	8
71234	Undefined_Bond_Stereo_Count	0
61105	Non-hydrogen_Atom_Count	7
441467	Hydrogen_Bond_Acceptor_Count	7
4104621	Covalent_Unit_Count	1
54687420	Mono_Isotopic_Weight	249.03632541
12021642	TPSA	35.8
71342117	Defined_Bond_Stereo_Count	0
28102	Exact_Mass	341.1757714
360129	Non-hydrogen_Atom_Count	28
77259647	Covalent_Unit_Count	1
108157	Hydrogen_Bond_Donor_Count	1
94355	Total_Formal_Charge	0
11906	Undefined_Bond_Stereo_Count	0
6810	Undefined_Atom_Stereo_Count	2
24848261	Molecular_Weight	413.9
130349042	Rotatable_Bond_Count	1
243556	Defined_Atom_Stereo_Count	0
72221005	Hydrogen_Bond_Acceptor_Count	3
739	TPSA	116
124514	Tautomer_Count	4
49862689	Isotope_Atom_Count	0
23657860	Molecular_Weight	342.30
14020433	Total_Formal_Charge	0
18343488	Hydrogen_Bond_Donor_Count	2
8754	Structure_Complexity	240
70647795	Hydrogen_Bond_Acceptor_Count	1
86134	Non-hydrogen_Atom_Count	23
44144	Hydrogen_Bond_Acceptor_Count	5
60988	Isotope_Atom_Count	0
13018409	Rotatable_Bond_Count	0
11225217	Total_Formal_Charge	0
5289347	Mono_Isotopic_Weight	632.26332572
82045	Exact_Mass	315.27734404
123611214	Mono_Isotopic_Weight	112.088815002
4538	Undefined_Atom_Stereo_Count	1
5108689	Hydrogen_Bond_Acceptor_Count	3
13440628	Mono_Isotopic_Weight	115.063328530
12497	Defined_Atom_Stereo_Count	0
163199229	Total_Formal_Charge	0
22544	Isotope_Atom_Count	0
53932534	Hydrogen_Bond_Donor_Count	1
58	Isotope_Atom_Count	0
17925	TPSA	41.5
8715	Structure_Complexity	97.1
6710664	Rotatable_Bond_Count	5
73802	Undefined_Bond_Stereo_Count	0
137967	Rotatable_Bond_Count	0
444170	Structure_Complexity	1130
949	Defined_Atom_Stereo_Count	0
21862291	Rotatable_Bond_Count	4
5354487	Mono_Isotopic_Weight	85.052763847
2582	Undefined_Atom_Stereo_Count	0
84598	Defined_Bond_Stereo_Count	0
137349207	Mono_Isotopic_Weight	363.13830499
24825251	Structure_Complexity	674
45344	Exact_Mass	333.1262344
86733068	Defined_Atom_Stereo_Count	0
36982	Structure_Complexity	173
58436	Molecular_Weight	278.39
15909	Hydrogen_Bond_Donor_Count	0
616573	Mono_Isotopic_Weight	235.110947427
18100	Rotatable_Bond_Count	1
26731	Defined_Atom_Stereo_Count	0
40479693	Hydrogen_Bond_Acceptor_Count	12
11040651	Defined_Atom_Stereo_Count	0
19829703	TPSA	64.2
139254656	Covalent_Unit_Count	1
6436055	Covalent_Unit_Count	1
56955954	Defined_Atom_Stereo_Count	0
517321	Molecular_Weight	330.8
123628273	Defined_Bond_Stereo_Count	0
22135	Defined_Bond_Stereo_Count	0
9604654	Total_Formal_Charge	0
16130571	Undefined_Atom_Stereo_Count	0
16213460	Hydrogen_Bond_Acceptor_Count	4
12576587	Undefined_Bond_Stereo_Count	0
23675349	Rotatable_Bond_Count	4
91618345	Non-hydrogen_Atom_Count	8
54757209	TPSA	107
6971070	Covalent_Unit_Count	1
11966	Rotatable_Bond_Count	4
146868632	TPSA	29.5
131751341	Defined_Bond_Stereo_Count	1
22227528	Defined_Atom_Stereo_Count	0
73219	Exact_Mass	234.161979940
87187299	Defined_Bond_Stereo_Count	0
17948	Covalent_Unit_Count	2
96354	Structure_Complexity	249
10080354	TPSA	17.1
5324	Defined_Atom_Stereo_Count	0
32495	Defined_Bond_Stereo_Count	0
21397222	Undefined_Atom_Stereo_Count	1
526950	Undefined_Bond_Stereo_Count	0
88269708	Defined_Bond_Stereo_Count	0
4695	TPSA	132
13574952	Rotatable_Bond_Count	1
10199016	Isotope_Atom_Count	0
2647	Structure_Complexity	715
12200971	Total_Formal_Charge	0
71623221	Undefined_Bond_Stereo_Count	0
9834478	Hydrogen_Bond_Donor_Count	3
7496	Defined_Atom_Stereo_Count	0
21951770	Exact_Mass	111.05449518
15123308	Undefined_Bond_Stereo_Count	0
22386086	Structure_Complexity	101
109198	Non-hydrogen_Atom_Count	32
131721310	TPSA	0
79483	Hydrogen_Bond_Donor_Count	2
406167	Covalent_Unit_Count	1
124655	XLogP3-AA	1.6
61120	Mono_Isotopic_Weight	263.15214353
58870	Hydrogen_Bond_Donor_Count	2
5375048	Defined_Atom_Stereo_Count	0
60867	Molecular_Weight	280.28
6444186	Undefined_Atom_Stereo_Count	2
6917951	Structure_Complexity	659
37927	Undefined_Bond_Stereo_Count	0
23158703	Exact_Mass	387.15426879
89493247	Structure_Complexity	104
70991	Defined_Atom_Stereo_Count	0
66091	TPSA	92
14976739	Isotope_Atom_Count	0
141343693	Undefined_Atom_Stereo_Count	2
5486830	Defined_Atom_Stereo_Count	1
91169276	XLogP3-AA	0.1
54230	XLogP3-AA	3.3
159652940	XLogP3-AA	0.1
441141	Hydrogen_Bond_Donor_Count	19
141603887	Undefined_Bond_Stereo_Count	0
1180	Non-hydrogen_Atom_Count	60
23671430	Defined_Bond_Stereo_Count	0
803776	Rotatable_Bond_Count	4
87931798	Mono_Isotopic_Weight	115.063328530
219023	Molecular_Weight	398.4
284995	Undefined_Bond_Stereo_Count	0
5280497	Defined_Atom_Stereo_Count	5
60201265	Defined_Atom_Stereo_Count	2
101445	Undefined_Atom_Stereo_Count	0
6999941	TPSA	17.1
20393	Tautomer_Count	1
88294	Structure_Complexity	218
75979	Hydrogen_Bond_Acceptor_Count	2
10809009	Non-hydrogen_Atom_Count	25
24417	Defined_Bond_Stereo_Count	0
11391	Tautomer_Count	1
2003	Mono_Isotopic_Weight	245.116426730
114426	Mono_Isotopic_Weight	114.068079557
11094575	Hydrogen_Bond_Donor_Count	1
19930642	Molecular_Weight	116.12
13207	Undefined_Atom_Stereo_Count	0
44556162	TPSA	126
203433	Undefined_Atom_Stereo_Count	0
72604488	Total_Formal_Charge	0
6537488	Covalent_Unit_Count	1
2529	Hydrogen_Bond_Donor_Count	6
15043600	Total_Formal_Charge	0
72823181	Non-hydrogen_Atom_Count	45
50631	Total_Formal_Charge	0
14050	Undefined_Atom_Stereo_Count	1
6420041	Covalent_Unit_Count	4
76152	Defined_Atom_Stereo_Count	0
4544	Isotope_Atom_Count	0
14405863	Covalent_Unit_Count	1
102063302	Structure_Complexity	270
15806	Molecular_Weight	225.24
54291205	Rotatable_Bond_Count	0
39040	Exact_Mass	189.03606841
1519487	Covalent_Unit_Count	1
22084	Molecular_Weight	143.23
65784	Defined_Bond_Stereo_Count	0
102470202	Hydrogen_Bond_Donor_Count	9
11788264	TPSA	12
5223	Isotope_Atom_Count	0
135509147	TPSA	248
171284	Exact_Mass	582.20608914
54676539	Undefined_Bond_Stereo_Count	0
62865	Undefined_Bond_Stereo_Count	0
86472	Rotatable_Bond_Count	14
10103794	TPSA	110
16687131	Defined_Atom_Stereo_Count	0
544	Hydrogen_Bond_Donor_Count	0
19437303	Structure_Complexity	80.2
123870	Non-hydrogen_Atom_Count	11
146156930	Total_Formal_Charge	0
14262	Hydrogen_Bond_Donor_Count	0
62449	Defined_Bond_Stereo_Count	0
69334703	Defined_Atom_Stereo_Count	0
21894763	Defined_Atom_Stereo_Count	0
6328684	Total_Formal_Charge	1
135968625	Mono_Isotopic_Weight	876.45207349
44201342	Hydrogen_Bond_Acceptor_Count	76
67795854	Exact_Mass	342.11621151
2766744	Exact_Mass	362.0200529
11457	Non-hydrogen_Atom_Count	10
9887053	Non-hydrogen_Atom_Count	15
14236864	Hydrogen_Bond_Donor_Count	2
9848990	Total_Formal_Charge	0
144179158	TPSA	0
90469695	Hydrogen_Bond_Donor_Count	5
543047	Total_Formal_Charge	0
5281068	Tautomer_Count	2
11815284	Defined_Atom_Stereo_Count	0
13089918	Hydrogen_Bond_Donor_Count	0
139057938	Mono_Isotopic_Weight	365.1142338
26470417	Molecular_Weight	342.30
5282108	Structure_Complexity	282
398640	Molecular_Weight	327.3
10094429	Defined_Bond_Stereo_Count	0
135697	TPSA	50.4
443868	Molecular_Weight	528.0
20220682	Hydrogen_Bond_Acceptor_Count	2
16832	Exact_Mass	158.130679813
75472	Hydrogen_Bond_Donor_Count	1
520383	Undefined_Atom_Stereo_Count	1
66080	Mono_Isotopic_Weight	96.093900383
5352771	Exact_Mass	292.240230259
40473182	Defined_Bond_Stereo_Count	0
56841628	Total_Formal_Charge	4
57363	Defined_Atom_Stereo_Count	7
93680	Mono_Isotopic_Weight	430.37705808
4169160	Undefined_Atom_Stereo_Count	1
3225	Defined_Atom_Stereo_Count	0
59680984	Hydrogen_Bond_Acceptor_Count	1
75306	Defined_Atom_Stereo_Count	0
444742	Undefined_Bond_Stereo_Count	0
13613	Exact_Mass	128.094963011
21168	Defined_Atom_Stereo_Count	0
1022	Mono_Isotopic_Weight	312.137496527
153097190	XLogP3-AA	1.2
2609	Total_Formal_Charge	0
3494	Undefined_Bond_Stereo_Count	0
56634286	Exact_Mass	113.095297364
57915	Structure_Complexity	279
36209	Rotatable_Bond_Count	9
31639	Undefined_Bond_Stereo_Count	0
53477948	Defined_Atom_Stereo_Count	1
79154	Hydrogen_Bond_Acceptor_Count	2
6918203	Tautomer_Count	1
26865	Non-hydrogen_Atom_Count	8
87048	Molecular_Weight	141.13
60196407	Total_Formal_Charge	0
135398634	Defined_Bond_Stereo_Count	0
413544	XLogP3-AA	3.2
54405	Structure_Complexity	442
14151226	Non-hydrogen_Atom_Count	8
44586473	Total_Formal_Charge	0
59503407	Hydrogen_Bond_Acceptor_Count	6
140719461	TPSA	21.6
58242071	Undefined_Atom_Stereo_Count	2
439352	TPSA	42.5
6927	Defined_Atom_Stereo_Count	0
13456556	Defined_Atom_Stereo_Count	0
91506	Exact_Mass	911.15746899
16132269	Hydrogen_Bond_Acceptor_Count	17
70689792	Undefined_Bond_Stereo_Count	0
59122	Structure_Complexity	863
581206	Undefined_Atom_Stereo_Count	0
536124	Structure_Complexity	111
32443	Structure_Complexity	253
2915	Isotope_Atom_Count	0
71517867	Defined_Atom_Stereo_Count	1
137224318	Hydrogen_Bond_Acceptor_Count	6
44571221	Non-hydrogen_Atom_Count	30
2714	Hydrogen_Bond_Donor_Count	0
12766	Tautomer_Count	1
146683214	Isotope_Atom_Count	0
643497	Molecular_Weight	341.4
1115	Hydrogen_Bond_Donor_Count	8
77117	Hydrogen_Bond_Acceptor_Count	3
44629600	XLogP3-AA	4.5
23663409	Structure_Complexity	372
9812414	Mono_Isotopic_Weight	594.98190558
22203	Exact_Mass	324.14739250
70452	Mono_Isotopic_Weight	87.104799419
129891	Defined_Bond_Stereo_Count	0
85960305	Rotatable_Bond_Count	1
10510831	Mono_Isotopic_Weight	112.100048391
107694	TPSA	101
141169621	Rotatable_Bond_Count	0
105426929	TPSA	12
11288	Structure_Complexity	275
3085219	Rotatable_Bond_Count	0
12497562	Hydrogen_Bond_Acceptor_Count	1
94229	XLogP3	1.3
22225900	Defined_Atom_Stereo_Count	0
2381	Defined_Atom_Stereo_Count	0
23519822	Rotatable_Bond_Count	6
67901	Hydrogen_Bond_Donor_Count	2
137261994	Undefined_Atom_Stereo_Count	0
37243	Tautomer_Count	1
11747	Total_Formal_Charge	0
12302695	Isotope_Atom_Count	0
119177	Isotope_Atom_Count	0
551	Isotope_Atom_Count	0
65987055	Exact_Mass	99.068413911
6918524	Defined_Bond_Stereo_Count	0
99435	TPSA	81
139254656	Hydrogen_Bond_Donor_Count	2
35781	Molecular_Weight	192.21
90997437	Rotatable_Bond_Count	6
32423	TPSA	73.2
444474	Exact_Mass	239.13822480
91420197	TPSA	58.3
6426699	Rotatable_Bond_Count	2
75530159	Undefined_Atom_Stereo_Count	0
549780	TPSA	24.4
148763531	Covalent_Unit_Count	1
26758	Rotatable_Bond_Count	4
5282944	Defined_Atom_Stereo_Count	0
44093	Non-hydrogen_Atom_Count	14
13635047	Non-hydrogen_Atom_Count	8
522105	Structure_Complexity	70.8
47354	Total_Formal_Charge	0
9919265	Structure_Complexity	1830
6183479	XLogP3	0.3
7503	Undefined_Bond_Stereo_Count	0
68119	XLogP3	1.2
71517700	Isotope_Atom_Count	0
65906	Defined_Atom_Stereo_Count	0
5940153	Exact_Mass	203.058243149
21093905	Molecular_Weight	378.9
2826731	Mono_Isotopic_Weight	255.0784668
154514950	Defined_Atom_Stereo_Count	0
2394	Structure_Complexity	2300
4921	Tautomer_Count	2
102032439	Rotatable_Bond_Count	2
25245437	Mono_Isotopic_Weight	688.34905972
28343	Undefined_Bond_Stereo_Count	0
46196517	Defined_Bond_Stereo_Count	0
101742	Mono_Isotopic_Weight	387.1713548
129629387	Exact_Mass	342.11621151
154183660	Defined_Bond_Stereo_Count	0
10864881	Structure_Complexity	80.6
146680	Exact_Mass	374.07903816
197861	TPSA	20.3
224392	Defined_Atom_Stereo_Count	0
6401	Covalent_Unit_Count	1
52931256	Structure_Complexity	927
665387	Rotatable_Bond_Count	1
13810419	Non-hydrogen_Atom_Count	8
29138	Structure_Complexity	409
19406	TPSA	72.8
12711096	Exact_Mass	110.084398327
1878	Structure_Complexity	666
21696199	Non-hydrogen_Atom_Count	7
142883	Tautomer_Count	1
18851	Defined_Atom_Stereo_Count	0
69341050	Defined_Atom_Stereo_Count	0
5266	Rotatable_Bond_Count	11
413552	Total_Formal_Charge	0
6604909	Defined_Bond_Stereo_Count	0
21321822	Total_Formal_Charge	0
71526	Exact_Mass	307.17317627
440959	Covalent_Unit_Count	1
12213229	Undefined_Atom_Stereo_Count	0
68781	Exact_Mass	416.18350323
50192	Defined_Atom_Stereo_Count	10
550825	Defined_Atom_Stereo_Count	0
57474	Defined_Bond_Stereo_Count	0
12638	TPSA	29.3
76960246	Structure_Complexity	367
688400	Undefined_Atom_Stereo_Count	0
12208570	Defined_Atom_Stereo_Count	0
89990643	TPSA	47.3
53394037	XLogP3-AA	2.3
8109	Mono_Isotopic_Weight	104.083729621
57535	Hydrogen_Bond_Acceptor_Count	4
866	Defined_Atom_Stereo_Count	0
5230877	Undefined_Bond_Stereo_Count	0
3002335	Molecular_Weight	511.6
11833	Molecular_Weight	160.17
19910037	Structure_Complexity	81.8
14691612	Total_Formal_Charge	0
11983193	Undefined_Bond_Stereo_Count	0
17787271	Defined_Bond_Stereo_Count	0
12367598	Hydrogen_Bond_Acceptor_Count	2
146461	Hydrogen_Bond_Donor_Count	1
166581	Tautomer_Count	44
24405	Tautomer_Count	3
653145	Isotope_Atom_Count	0
919792	Undefined_Atom_Stereo_Count	0
607248	Non-hydrogen_Atom_Count	12
53420035	Undefined_Atom_Stereo_Count	2
71785	Defined_Bond_Stereo_Count	0
23678	Undefined_Atom_Stereo_Count	0
2599	Undefined_Atom_Stereo_Count	0
154474669	Hydrogen_Bond_Donor_Count	2
131954609	XLogP3-AA	5.1
25203894	Mono_Isotopic_Weight	682.11214
5360315	Isotope_Atom_Count	0
101012	Mono_Isotopic_Weight	220.98165005
53846420	Defined_Atom_Stereo_Count	6
10660	Mono_Isotopic_Weight	469.1880675
68401	Hydrogen_Bond_Donor_Count	1
20333386	Exact_Mass	141.115364102
78123	Structure_Complexity	177
68321898	Defined_Bond_Stereo_Count	0
36688241	Exact_Mass	427.20331054
154909	Isotope_Atom_Count	0
22833389	Undefined_Bond_Stereo_Count	0
80040	Covalent_Unit_Count	1
92002571	Non-hydrogen_Atom_Count	25
135761165	Hydrogen_Bond_Donor_Count	4
448223	Covalent_Unit_Count	1
38141	Mono_Isotopic_Weight	371.1764402
3739682	Non-hydrogen_Atom_Count	24
9874838	Defined_Atom_Stereo_Count	0
37251	Total_Formal_Charge	0
158340	Tautomer_Count	1
68503813	Rotatable_Bond_Count	0
23189	Structure_Complexity	257
45116684	Rotatable_Bond_Count	1
95391	Molecular_Weight	140.18
26360	Isotope_Atom_Count	0
131430882	Covalent_Unit_Count	1
139105	Isotope_Atom_Count	0
2572037	XLogP3-AA	3.3
56834578	Covalent_Unit_Count	1
721938	Undefined_Bond_Stereo_Count	0
18170	Hydrogen_Bond_Donor_Count	0
11416	Non-hydrogen_Atom_Count	8
40855	Defined_Bond_Stereo_Count	0
7525	Structure_Complexity	59.5
5942099	Undefined_Bond_Stereo_Count	0
75919	Molecular_Weight	122.17
26560	Undefined_Bond_Stereo_Count	0
10258659	Hydrogen_Bond_Acceptor_Count	6
694466	Total_Formal_Charge	0
129867899	Rotatable_Bond_Count	4
489349	Isotope_Atom_Count	0
12308	TPSA	20.2
158849	Molecular_Weight	1028.8
5281698	TPSA	116
156391	Isotope_Atom_Count	0
72373	TPSA	86.9
481	Undefined_Atom_Stereo_Count	3
56846509	Hydrogen_Bond_Donor_Count	0
62705688	Covalent_Unit_Count	1
53970299	Hydrogen_Bond_Acceptor_Count	1
53746047	Structure_Complexity	134
219145	Hydrogen_Bond_Donor_Count	0
18406186	Rotatable_Bond_Count	5
15816	Molecular_Weight	216.27
18755011	Rotatable_Bond_Count	0
8231	Total_Formal_Charge	0
969152	Undefined_Atom_Stereo_Count	0
208951	Undefined_Bond_Stereo_Count	0
5463081	Covalent_Unit_Count	1
20129993	TPSA	46.2
222199	Covalent_Unit_Count	1
190	Covalent_Unit_Count	1
6979027	TPSA	62.3
21906940	Structure_Complexity	510
76959035	Non-hydrogen_Atom_Count	23
9499	XLogP3-AA	2.2
40438	Isotope_Atom_Count	0
12636118	Defined_Bond_Stereo_Count	0
9604	Covalent_Unit_Count	1
16682730	TPSA	26.3
6066	Non-hydrogen_Atom_Count	24
66435	Defined_Bond_Stereo_Count	0
54682541	Exact_Mass	1024.3123164
3788074	Exact_Mass	434.02424314
23574562	Structure_Complexity	143
52942848	Total_Formal_Charge	0
9848786	Total_Formal_Charge	0
11455317	TPSA	85.1
1358	Total_Formal_Charge	0
446845	Hydrogen_Bond_Acceptor_Count	5
6917700	Defined_Bond_Stereo_Count	0
225568	TPSA	43.1
447451	XLogP3-AA	5.4
7705	Hydrogen_Bond_Acceptor_Count	0
59600546	XLogP3-AA	0.8
1205040	Defined_Atom_Stereo_Count	0
19928	Molecular_Weight	144.55
23676736	Hydrogen_Bond_Donor_Count	1
53848219	Hydrogen_Bond_Donor_Count	0
10809678	TPSA	41.6
23723027	Undefined_Atom_Stereo_Count	0
69332601	Undefined_Bond_Stereo_Count	0
4739928	Hydrogen_Bond_Donor_Count	0
13707491	Total_Formal_Charge	0
71358911	Defined_Bond_Stereo_Count	0
35023	Molecular_Weight	246.27
21900379	Defined_Bond_Stereo_Count	0
9815559	Covalent_Unit_Count	1
7415	Exact_Mass	127.136099547
635186	Hydrogen_Bond_Donor_Count	1
12284127	Undefined_Bond_Stereo_Count	0
9804219	Non-hydrogen_Atom_Count	32
3032806	Defined_Atom_Stereo_Count	10
53904133	Hydrogen_Bond_Donor_Count	1
80660	TPSA	9.2
50222	Non-hydrogen_Atom_Count	31
123868	Mono_Isotopic_Weight	146.105527694
5443	Non-hydrogen_Atom_Count	10
12082259	Undefined_Bond_Stereo_Count	0
5724	Exact_Mass	439.95748
657255	Undefined_Bond_Stereo_Count	0
21924868	Undefined_Atom_Stereo_Count	7
9688	Structure_Complexity	317
24721356	Tautomer_Count	970
3086576	Defined_Bond_Stereo_Count	0
57760	Molecular_Weight	423.4
648	Hydrogen_Bond_Donor_Count	3
301520	XLogP3-AA	3.4
66663	Rotatable_Bond_Count	8
24199050	Covalent_Unit_Count	1
9870009	Mono_Isotopic_Weight	485.1928781
529	Non-hydrogen_Atom_Count	9
9210	Covalent_Unit_Count	1
542338	Undefined_Atom_Stereo_Count	0
141828087	Covalent_Unit_Count	1
23362267	Non-hydrogen_Atom_Count	8
73707487	Total_Formal_Charge	0
32438	Undefined_Atom_Stereo_Count	1
45280821	Molecular_Weight	1112.4
101180753	Covalent_Unit_Count	1
9678	Defined_Bond_Stereo_Count	0
76209	Molecular_Weight	102.13
16038399	Hydrogen_Bond_Acceptor_Count	5
137941	Non-hydrogen_Atom_Count	8
12346974	Molecular_Weight	110.15
10171348	Undefined_Bond_Stereo_Count	0
41781	Exact_Mass	348.12561169
9954082	Tautomer_Count	2
267898	Molecular_Weight	204.23
7594067	Covalent_Unit_Count	1
11286453	Non-hydrogen_Atom_Count	8
22068766	Covalent_Unit_Count	1
15811016	Structure_Complexity	53.3
638552	Isotope_Atom_Count	0
3940	Defined_Atom_Stereo_Count	0
114523	Tautomer_Count	1
138195	Mono_Isotopic_Weight	126.068079557
91778	Rotatable_Bond_Count	4
53473572	Molecular_Weight	542.4
149229	Defined_Bond_Stereo_Count	0
95850	Structure_Complexity	351
447199	Molecular_Weight	267.24
5645	Mono_Isotopic_Weight	392.29265975
45084984	Molecular_Weight	110.15
76921	Non-hydrogen_Atom_Count	12
19704592	Defined_Bond_Stereo_Count	0
54023308	Undefined_Atom_Stereo_Count	0
20626699	Defined_Atom_Stereo_Count	0
11357	Mono_Isotopic_Weight	121.089149355
8305	Structure_Complexity	400
10011877	Undefined_Bond_Stereo_Count	0
50914184	Defined_Atom_Stereo_Count	0
103563866	Undefined_Bond_Stereo_Count	0
54433749	Non-hydrogen_Atom_Count	7
92850	Exact_Mass	404.3209791
456255	Structure_Complexity	777
44392124	Structure_Complexity	620
2771919	Defined_Atom_Stereo_Count	0
24766297	Structure_Complexity	776
91556	Defined_Atom_Stereo_Count	0
88941292	Total_Formal_Charge	0
132647840	Molecular_Weight	156.19
147630	Defined_Bond_Stereo_Count	0
6857536	Undefined_Bond_Stereo_Count	0
141168949	Isotope_Atom_Count	0
294864	Exact_Mass	104.047344113
132236745	Molecular_Weight	112.17
2691	Mono_Isotopic_Weight	499.21793167
141096113	Isotope_Atom_Count	0
80790	Exact_Mass	164.120115130
443157	Tautomer_Count	2
17126	Isotope_Atom_Count	0
48409	Hydrogen_Bond_Donor_Count	1
78002	Isotope_Atom_Count	0
27058	Rotatable_Bond_Count	14
94398	Hydrogen_Bond_Donor_Count	0
3042	XLogP3-AA	5.5
76035516	Exact_Mass	409.215412493
134819291	Isotope_Atom_Count	0
5282219	TPSA	82.1
145971	Defined_Atom_Stereo_Count	0
59445439	Exact_Mass	180.06338810
49865973	Isotope_Atom_Count	0
21932619	Molecular_Weight	277.25
94280	Non-hydrogen_Atom_Count	22
11007841	Hydrogen_Bond_Donor_Count	0
616642	Defined_Atom_Stereo_Count	0
21870	Hydrogen_Bond_Acceptor_Count	2
90997839	Exact_Mass	904.44565070
176265	Non-hydrogen_Atom_Count	18
6857474	Total_Formal_Charge	0
3392	Defined_Atom_Stereo_Count	0
19935251	Rotatable_Bond_Count	0
47354	Undefined_Atom_Stereo_Count	1
2676	XLogP3-AA	3.6
44555481	Defined_Atom_Stereo_Count	1
46869955	Isotope_Atom_Count	0
69064	Total_Formal_Charge	0
56436	Hydrogen_Bond_Donor_Count	0
23625548	Undefined_Atom_Stereo_Count	0
82506	Molecular_Weight	192.21
102738	Total_Formal_Charge	0
83150	Hydrogen_Bond_Acceptor_Count	3
160312	Undefined_Bond_Stereo_Count	3
106567	Total_Formal_Charge	0
5757	Hydrogen_Bond_Acceptor_Count	2
3010818	Exact_Mass	679.40573244
11715767	XLogP3-AA	0.6
63786	Undefined_Atom_Stereo_Count	0
87060437	XLogP3-AA	5.1
71587288	Defined_Bond_Stereo_Count	0
22571	Molecular_Weight	361.5
23667627	Total_Formal_Charge	0
3034808	TPSA	119
446167	TPSA	91.7
13257	Total_Formal_Charge	0
5795340	Mono_Isotopic_Weight	331.86837
669019	Total_Formal_Charge	0
114961	Hydrogen_Bond_Acceptor_Count	5
11863	Undefined_Bond_Stereo_Count	0
58513815	Exact_Mass	98.084398327
60196260	Covalent_Unit_Count	2
157641	Structure_Complexity	120
68284	Rotatable_Bond_Count	1
1988	Structure_Complexity	260
85859899	Mono_Isotopic_Weight	96.021129366
134689739	Undefined_Atom_Stereo_Count	0
53387026	Undefined_Bond_Stereo_Count	0
6140	Isotope_Atom_Count	0
10757	Rotatable_Bond_Count	2
2765	Undefined_Bond_Stereo_Count	0
154655788	Defined_Atom_Stereo_Count	0
11625778	Exact_Mass	413.19507097
21622	Covalent_Unit_Count	1
21924633	Mono_Isotopic_Weight	98.073164938
21117498	Defined_Atom_Stereo_Count	0
34192	Defined_Atom_Stereo_Count	0
549240	Undefined_Bond_Stereo_Count	0
167451	Mono_Isotopic_Weight	383.1167324
11442383	Structure_Complexity	640
5366244	Mono_Isotopic_Weight	296.307915895
101602193	Molecular_Weight	666.9
61918	XLogP3-AA	0.6
9821941	Structure_Complexity	593
12115801	Rotatable_Bond_Count	0
12647544	Hydrogen_Bond_Acceptor_Count	2
21720742	Undefined_Bond_Stereo_Count	0
11263488	TPSA	32.3
9641	Non-hydrogen_Atom_Count	14
35023	Mono_Isotopic_Weight	246.11167570
24469	Undefined_Atom_Stereo_Count	1
443879	Molecular_Weight	325.5
23675242	Molecular_Weight	85.962
11065	Undefined_Atom_Stereo_Count	0
2728077	Total_Formal_Charge	0
66414	Hydrogen_Bond_Donor_Count	2
99681	Rotatable_Bond_Count	2
637552	Hydrogen_Bond_Acceptor_Count	4
9867812	Undefined_Atom_Stereo_Count	0
9806615	Hydrogen_Bond_Acceptor_Count	11
72913	Total_Formal_Charge	0
168623	Exact_Mass	365.2121570
43834223	Hydrogen_Bond_Donor_Count	2
4113	Hydrogen_Bond_Acceptor_Count	2
14190	Hydrogen_Bond_Acceptor_Count	8
3000668	Hydrogen_Bond_Donor_Count	1
9800972	Isotope_Atom_Count	0
283654	Molecular_Weight	264.32
51921896	Exact_Mass	342.11621151
2740171	Exact_Mass	274.0985242
3018793	Defined_Atom_Stereo_Count	0
68156	Total_Formal_Charge	0
99306	XLogP3-AA	6.1
4428	Hydrogen_Bond_Acceptor_Count	5
53825857	Structure_Complexity	68.5
3442	Molecular_Weight	179.22
19460	Defined_Atom_Stereo_Count	0
70687254	Defined_Bond_Stereo_Count	0
70690618	Molecular_Weight	398.5
129847429	Molecular_Weight	360.38
3167	Undefined_Bond_Stereo_Count	0
572565	Undefined_Bond_Stereo_Count	0
23687713	Non-hydrogen_Atom_Count	14
904857	TPSA	26.3
49769064	Undefined_Atom_Stereo_Count	5
7711	Rotatable_Bond_Count	4
6537431	Hydrogen_Bond_Donor_Count	3
11485656	Hydrogen_Bond_Donor_Count	4
70023156	Mono_Isotopic_Weight	111.068413911
52950127	Mono_Isotopic_Weight	397.16018325
53835276	Covalent_Unit_Count	1
57475673	Molecular_Weight	125.4
129758641	Covalent_Unit_Count	2
66330	Covalent_Unit_Count	1
5954	Hydrogen_Bond_Acceptor_Count	0
61136	Hydrogen_Bond_Donor_Count	2
117852135	Covalent_Unit_Count	1
55918	Defined_Atom_Stereo_Count	0
55245	Rotatable_Bond_Count	3
167085	Rotatable_Bond_Count	0
101882533	Structure_Complexity	735
11268547	Hydrogen_Bond_Donor_Count	2
91482	Isotope_Atom_Count	0
22054617	Molecular_Weight	169.18
159283	Undefined_Atom_Stereo_Count	0
49869173	Undefined_Bond_Stereo_Count	0
77117	Mono_Isotopic_Weight	153.99446384
74791	Tautomer_Count	1
24385	Isotope_Atom_Count	0
440005	Undefined_Bond_Stereo_Count	0
12068	TPSA	118
131414	Mono_Isotopic_Weight	218.094294304
91489	Hydrogen_Bond_Acceptor_Count	3
6538985	Total_Formal_Charge	0
566032	Total_Formal_Charge	0
7985	Non-hydrogen_Atom_Count	25
20087060	Hydrogen_Bond_Acceptor_Count	3
72924	Exact_Mass	139.026943022
87713	Covalent_Unit_Count	1
12136798	Covalent_Unit_Count	1
56603751	Hydrogen_Bond_Acceptor_Count	9
10499446	Non-hydrogen_Atom_Count	28
68078	Isotope_Atom_Count	0
44565821	TPSA	142
18789128	Covalent_Unit_Count	1
510	Structure_Complexity	248
179336	Undefined_Bond_Stereo_Count	0
53434235	Exact_Mass	93.057849228
542354	Total_Formal_Charge	0
3611397	Defined_Bond_Stereo_Count	0
94381	Defined_Bond_Stereo_Count	0
90977886	Structure_Complexity	96.6
38072	Structure_Complexity	356
57467550	Covalent_Unit_Count	1
11007859	Defined_Atom_Stereo_Count	0
71301276	Tautomer_Count	1
7822	Exact_Mass	128.120115130
8904	XLogP3-AA	3.7
946372	Non-hydrogen_Atom_Count	26
83445	Tautomer_Count	5
91412269	Non-hydrogen_Atom_Count	17
16091096	Non-hydrogen_Atom_Count	46
10176115	Defined_Bond_Stereo_Count	0
17860	Exact_Mass	177.126597491
17882722	Hydrogen_Bond_Donor_Count	0
44392229	Hydrogen_Bond_Donor_Count	1
13346655	XLogP3-AA	1.2
25171662	Isotope_Atom_Count	0
18690759	Structure_Complexity	109
18069	Defined_Bond_Stereo_Count	0
49843517	XLogP3-AA	7.7
99850	Hydrogen_Bond_Donor_Count	1
691409	Isotope_Atom_Count	0
88875	Hydrogen_Bond_Donor_Count	0
11675641	Covalent_Unit_Count	1
2735228	Non-hydrogen_Atom_Count	8
19494	Structure_Complexity	84.1
57681561	Undefined_Atom_Stereo_Count	0
146159982	Undefined_Bond_Stereo_Count	0
2735001	Non-hydrogen_Atom_Count	12
351155	Undefined_Atom_Stereo_Count	0
54726193	Defined_Bond_Stereo_Count	0
5351	Tautomer_Count	1
656833	Undefined_Bond_Stereo_Count	0
23079483	Isotope_Atom_Count	0
73759759	Exact_Mass	908.38775915
11241881	Undefined_Atom_Stereo_Count	0
136305611	Non-hydrogen_Atom_Count	8
15267570	Hydrogen_Bond_Acceptor_Count	4
14051	Hydrogen_Bond_Donor_Count	6
43899	Undefined_Bond_Stereo_Count	0
137295261	Covalent_Unit_Count	1
712377	Tautomer_Count	2
45120378	Total_Formal_Charge	0
5320	Defined_Bond_Stereo_Count	0
16683023	Undefined_Bond_Stereo_Count	0
13194811	Rotatable_Bond_Count	3
23533832	Isotope_Atom_Count	0
690109	Rotatable_Bond_Count	1
45356872	Exact_Mass	545.26248182
3047803	Isotope_Atom_Count	0
57541295	Defined_Atom_Stereo_Count	2
91427979	TPSA	0
10329124	Hydrogen_Bond_Acceptor_Count	23
124173720	Molecular_Weight	407.4
4871804	Exact_Mass	149.05104977
9917013	Hydrogen_Bond_Donor_Count	2
484646	Covalent_Unit_Count	1
5368821	Tautomer_Count	1
19782027	Covalent_Unit_Count	1
21908797	Total_Formal_Charge	0
12315159	Molecular_Weight	152.23
1991	Isotope_Atom_Count	0
182362	Molecular_Weight	254.24
102848	Defined_Atom_Stereo_Count	0
5289024	Covalent_Unit_Count	1
22341299	Hydrogen_Bond_Donor_Count	2
50914976	Defined_Atom_Stereo_Count	0
75530316	Rotatable_Bond_Count	5
71357579	Undefined_Atom_Stereo_Count	0
117120	Rotatable_Bond_Count	4
208836	Non-hydrogen_Atom_Count	28
60165806	Rotatable_Bond_Count	8
638105	Molecular_Weight	80.08
10194504	Defined_Atom_Stereo_Count	1
947097	Molecular_Weight	337.4
67950444	Hydrogen_Bond_Donor_Count	5
60196374	Non-hydrogen_Atom_Count	10
23622607	Structure_Complexity	610
129861481	Rotatable_Bond_Count	0
62232962	Mono_Isotopic_Weight	112.052429494
11062343	Isotope_Atom_Count	0
33255	Molecular_Weight	454.5
129791	Isotope_Atom_Count	0
9577	Total_Formal_Charge	0
54964	Structure_Complexity	408
76324338	Non-hydrogen_Atom_Count	59
53708930	Mono_Isotopic_Weight	101.047678466
136586	Defined_Bond_Stereo_Count	0
162908	Covalent_Unit_Count	1
5462210	Defined_Bond_Stereo_Count	9
14920523	Rotatable_Bond_Count	1
11921	Rotatable_Bond_Count	1
45806	Total_Formal_Charge	2
67246787	Structure_Complexity	652
13514	Exact_Mass	159.924948
10997120	Isotope_Atom_Count	0
8791	Undefined_Atom_Stereo_Count	0
15979	Isotope_Atom_Count	0
22061818	Mono_Isotopic_Weight	112.063662883
116841780	Mono_Isotopic_Weight	109.089149355
68557	Rotatable_Bond_Count	10
135738851	TPSA	231
87098264	Defined_Atom_Stereo_Count	0
9339	Defined_Bond_Stereo_Count	0
454155	XLogP3-AA	6.1
62479	Molecular_Weight	390.44
243	Hydrogen_Bond_Acceptor_Count	2
15493441	Hydrogen_Bond_Donor_Count	0
442872	Rotatable_Bond_Count	0
50997747	Hydrogen_Bond_Donor_Count	0
16211113	Rotatable_Bond_Count	3
21349800	Hydrogen_Bond_Acceptor_Count	3
9574101	Mono_Isotopic_Weight	473.26381923
1550888	Rotatable_Bond_Count	6
44422352	Structure_Complexity	821
11088	Non-hydrogen_Atom_Count	24
1585857	Isotope_Atom_Count	0
16413917	Molecular_Weight	713.1
439255	Hydrogen_Bond_Acceptor_Count	5
72199624	Structure_Complexity	642
39648	Rotatable_Bond_Count	9
5289332	Hydrogen_Bond_Acceptor_Count	5
446596	Defined_Bond_Stereo_Count	1
139383946	Isotope_Atom_Count	0
28346	Hydrogen_Bond_Donor_Count	1
578771	Defined_Atom_Stereo_Count	0
79497	Defined_Bond_Stereo_Count	0
14511497	Undefined_Bond_Stereo_Count	0
11293	TPSA	75.9
163201191	Total_Formal_Charge	0
54687772	Defined_Atom_Stereo_Count	1
128882	Tautomer_Count	3
123831	Defined_Atom_Stereo_Count	1
25683	Covalent_Unit_Count	1
254	Structure_Complexity	175
56846451	Total_Formal_Charge	0
166548151	Hydrogen_Bond_Acceptor_Count	1
25162926	Exact_Mass	583.23212480
44724350	TPSA	36.9
33630	Non-hydrogen_Atom_Count	36
44338785	Hydrogen_Bond_Donor_Count	4
37933	Defined_Atom_Stereo_Count	2
87147109	Isotope_Atom_Count	0
72000	Hydrogen_Bond_Acceptor_Count	8
7758	Defined_Atom_Stereo_Count	0
1535935	Exact_Mass	132.05349212
42608371	Isotope_Atom_Count	0
102182857	Defined_Atom_Stereo_Count	0
6421	Covalent_Unit_Count	1
9862176	Tautomer_Count	1
756229	TPSA	49.4
93189	Molecular_Weight	178.27
6901	Mono_Isotopic_Weight	257.813116
11979781	Rotatable_Bond_Count	22
378532	Molecular_Weight	206.15
587	Mono_Isotopic_Weight	211.03580743
13695806	Total_Formal_Charge	0
688267	Defined_Atom_Stereo_Count	2
18569	Covalent_Unit_Count	1
66	Molecular_Weight	163.00
16686	Defined_Bond_Stereo_Count	0
10034577	Defined_Bond_Stereo_Count	0
17755052	Non-hydrogen_Atom_Count	35
945090	Rotatable_Bond_Count	4
160743752	Defined_Bond_Stereo_Count	0
11502188	XLogP3-AA	3.3
55710	Hydrogen_Bond_Acceptor_Count	3
181978	Undefined_Bond_Stereo_Count	0
8534	Defined_Bond_Stereo_Count	0
43095	Tautomer_Count	1
67375395	Covalent_Unit_Count	1
31639	Non-hydrogen_Atom_Count	14
21864164	Defined_Bond_Stereo_Count	0
78438	Isotope_Atom_Count	0
10462	Hydrogen_Bond_Donor_Count	2
70722	Defined_Atom_Stereo_Count	0
46724	Rotatable_Bond_Count	4
795	Exact_Mass	68.037448136
60196414	Isotope_Atom_Count	0
279819	Hydrogen_Bond_Donor_Count	5
65578	Covalent_Unit_Count	1
6441388	Non-hydrogen_Atom_Count	44
101165369	Structure_Complexity	415
55286004	Undefined_Atom_Stereo_Count	1
2484	Exact_Mass	317.214349865
98941	Hydrogen_Bond_Donor_Count	0
12146767	Hydrogen_Bond_Acceptor_Count	1
94483	Covalent_Unit_Count	1
12367599	Covalent_Unit_Count	1
11462546	Hydrogen_Bond_Donor_Count	0
5311108	Undefined_Atom_Stereo_Count	0
87468661	Covalent_Unit_Count	1
11167602	TPSA	92.4
24978553	Isotope_Atom_Count	0
25196164	Defined_Bond_Stereo_Count	0
133126830	Covalent_Unit_Count	1
74745	Hydrogen_Bond_Donor_Count	0
23724510	Exact_Mass	1711.80301090
6852129	Non-hydrogen_Atom_Count	14
59154494	Hydrogen_Bond_Acceptor_Count	2
228131	Exact_Mass	162.079312947
71675	Rotatable_Bond_Count	5
50993881	Molecular_Weight	433.9
87254	Covalent_Unit_Count	1
6495	Defined_Atom_Stereo_Count	0
12623293	Molecular_Weight	94.15
4662	Molecular_Weight	833.4
12868608	Molecular_Weight	66.10
83859	Molecular_Weight	439.0
34474	Hydrogen_Bond_Donor_Count	0
10263	Hydrogen_Bond_Donor_Count	0
146171122	TPSA	104
92145	Covalent_Unit_Count	1
19991465	Defined_Bond_Stereo_Count	0
15826366	Defined_Atom_Stereo_Count	0
154578334	Hydrogen_Bond_Donor_Count	2
57340467	Molecular_Weight	344.3
25271892	Covalent_Unit_Count	1
32031	Structure_Complexity	165
262752	Structure_Complexity	267
1929	Isotope_Atom_Count	0
16212360	Total_Formal_Charge	0
1397	TPSA	72.8
11314197	Hydrogen_Bond_Donor_Count	1
4901	TPSA	40.5
23265	XLogP3	3.7
135415867	Hydrogen_Bond_Donor_Count	2
35120	XLogP3-AA	5.6
10026604	Hydrogen_Bond_Acceptor_Count	5
66751253	XLogP3-AA	3.3
22416599	Defined_Atom_Stereo_Count	0
59169	Defined_Bond_Stereo_Count	0
25142177	Defined_Bond_Stereo_Count	0
25111945	Covalent_Unit_Count	1
925739	Hydrogen_Bond_Acceptor_Count	4
6915944	Mono_Isotopic_Weight	395.03581088
290807	Exact_Mass	115.099714038
84081255	Covalent_Unit_Count	1
68921	Defined_Atom_Stereo_Count	7
85325038	Isotope_Atom_Count	0
54565105	Molecular_Weight	96.17
22323434	Exact_Mass	466.19771322
3734343	Structure_Complexity	343
6433090	Mono_Isotopic_Weight	319.168462302
11594	Mono_Isotopic_Weight	114.140850574
98416	Defined_Bond_Stereo_Count	0
76957620	Exact_Mass	383.1627620
84647648	Defined_Atom_Stereo_Count	0
23675743	Undefined_Atom_Stereo_Count	0
124081896	Undefined_Atom_Stereo_Count	0
3009363	Defined_Atom_Stereo_Count	0
5578	TPSA	106
101905	Undefined_Bond_Stereo_Count	0
13616	Undefined_Bond_Stereo_Count	0
160889158	Total_Formal_Charge	0
41287	Isotope_Atom_Count	0
5284556	XLogP3-AA	1.5
10219163	Undefined_Bond_Stereo_Count	0
21724548	Undefined_Bond_Stereo_Count	0
13843	TPSA	50.1
12705044	Molecular_Weight	104.15
148362624	Defined_Bond_Stereo_Count	0
4066245	Structure_Complexity	380
59281	Isotope_Atom_Count	0
13348002	Hydrogen_Bond_Acceptor_Count	0
60753	Hydrogen_Bond_Donor_Count	2
643208	Defined_Bond_Stereo_Count	0
133090	Undefined_Atom_Stereo_Count	1
593411	Total_Formal_Charge	0
82058	Undefined_Bond_Stereo_Count	0
54687131	Mono_Isotopic_Weight	602.25879342
1605	Isotope_Atom_Count	0
67105	Molecular_Weight	116.20
57031203	Defined_Atom_Stereo_Count	0
564558	Hydrogen_Bond_Acceptor_Count	2
66908038	Undefined_Atom_Stereo_Count	3
11927	Total_Formal_Charge	0
368	Structure_Complexity	58.4
44149909	Molecular_Weight	691.9
120081	Non-hydrogen_Atom_Count	16
184366	Isotope_Atom_Count	0
2199	Non-hydrogen_Atom_Count	19
10888051	Defined_Bond_Stereo_Count	0
12642447	Total_Formal_Charge	0
20592372	Non-hydrogen_Atom_Count	7
78137849	Total_Formal_Charge	0
21322859	Undefined_Atom_Stereo_Count	0
15475335	Covalent_Unit_Count	1
12561	Covalent_Unit_Count	1
9969613	Defined_Bond_Stereo_Count	0
5282421	Isotope_Atom_Count	0
103079114	Molecular_Weight	113.12
8333	Non-hydrogen_Atom_Count	16
54675769	XLogP3-AA	3.3
57401683	Covalent_Unit_Count	1
22614138	Non-hydrogen_Atom_Count	8
151193	Molecular_Weight	464.9
19434657	Hydrogen_Bond_Acceptor_Count	1
135618542	Non-hydrogen_Atom_Count	41
20526784	Molecular_Weight	111.10
73455777	Mono_Isotopic_Weight	112.088815002
147895	Defined_Atom_Stereo_Count	11
5284530	Rotatable_Bond_Count	7
20522198	Undefined_Bond_Stereo_Count	0
13215601	Undefined_Bond_Stereo_Count	0
68739127	Total_Formal_Charge	0
71902	Defined_Atom_Stereo_Count	5
10898949	Hydrogen_Bond_Donor_Count	2
14437479	Rotatable_Bond_Count	3
6515535	TPSA	70.9
9548687	Total_Formal_Charge	0
15056663	Non-hydrogen_Atom_Count	17
22108	Isotope_Atom_Count	0
2783279	Undefined_Atom_Stereo_Count	0
57452	TPSA	32.3
146158693	Isotope_Atom_Count	3
24875318	Rotatable_Bond_Count	6
15016062	Exact_Mass	278.14528450
45488106	Mono_Isotopic_Weight	445.11618739
10111	Non-hydrogen_Atom_Count	5
10935908	Structure_Complexity	374
57228932	XLogP3-AA	1.4
23665765	Defined_Bond_Stereo_Count	0
6388	Covalent_Unit_Count	1
44306490	Undefined_Atom_Stereo_Count	0
50925625	Isotope_Atom_Count	0
91370278	Covalent_Unit_Count	1
138199	Structure_Complexity	67.9
9307	Molecular_Weight	211.21
14045176	Undefined_Atom_Stereo_Count	0
83694167	XLogP3-AA	1
5289394	Tautomer_Count	4
7543	Defined_Atom_Stereo_Count	0
102102472	Total_Formal_Charge	0
151707353	Undefined_Atom_Stereo_Count	2
56617809	Non-hydrogen_Atom_Count	7
69089	Covalent_Unit_Count	1
71985	Total_Formal_Charge	0
17513	TPSA	157
135398003	Hydrogen_Bond_Acceptor_Count	3
6327109	Undefined_Atom_Stereo_Count	0
10862733	Isotope_Atom_Count	3
9958230	XLogP3-AA	2.4
145961	Defined_Atom_Stereo_Count	0
160883	Undefined_Atom_Stereo_Count	0
11702315	Hydrogen_Bond_Donor_Count	1
23675747	Undefined_Bond_Stereo_Count	0
54520	Exact_Mass	306.19434270
447534	Molecular_Weight	229.17
522	Undefined_Atom_Stereo_Count	5
91747	Isotope_Atom_Count	0
4033	Undefined_Atom_Stereo_Count	0
71449988	Undefined_Atom_Stereo_Count	0
71459117	Mono_Isotopic_Weight	391.18959167
808817	Molecular_Weight	247.33
9835852	Covalent_Unit_Count	1
21868057	Isotope_Atom_Count	0
59167199	Hydrogen_Bond_Donor_Count	0
5308	XLogP3-AA	3.1
80302	Undefined_Bond_Stereo_Count	1
22833326	Exact_Mass	446.33960994
4103	Hydrogen_Bond_Acceptor_Count	7
21696748	Undefined_Atom_Stereo_Count	2
20587905	Molecular_Weight	59.82
5742673	Defined_Atom_Stereo_Count	2
580061	Structure_Complexity	87.1
57400229	Isotope_Atom_Count	0
528405	XLogP3-AA	1.6
58079819	Undefined_Bond_Stereo_Count	0
45116684	Hydrogen_Bond_Acceptor_Count	3
5709222	Covalent_Unit_Count	1
68381	Covalent_Unit_Count	1
161500	Covalent_Unit_Count	1
21116680	Tautomer_Count	2
76646	Undefined_Bond_Stereo_Count	0
6432729	Undefined_Bond_Stereo_Count	0
6476564	Hydrogen_Bond_Donor_Count	5
124005380	Defined_Bond_Stereo_Count	0
7482	Covalent_Unit_Count	1
10271	Non-hydrogen_Atom_Count	16
23684896	Molecular_Weight	161.16
121942	Hydrogen_Bond_Donor_Count	7
9953590	Hydrogen_Bond_Donor_Count	0
2713	Defined_Bond_Stereo_Count	0
5472	Hydrogen_Bond_Acceptor_Count	2
85546	Undefined_Atom_Stereo_Count	0
154825561	Total_Formal_Charge	0
5329056	Covalent_Unit_Count	1
4012	Molecular_Weight	790.8
3510569	Undefined_Atom_Stereo_Count	0
85945952	Hydrogen_Bond_Acceptor_Count	2
98675	Mono_Isotopic_Weight	254.260965704
23616570	Molecular_Weight	359.9
5738	Undefined_Bond_Stereo_Count	0
897	Molecular_Weight	220.22
224392	Defined_Bond_Stereo_Count	0
66487	Covalent_Unit_Count	1
19829701	Structure_Complexity	107
20793292	Rotatable_Bond_Count	0
56606917	XLogP3-AA	1.9
12842598	Mono_Isotopic_Weight	87.068413911
117045394	Total_Formal_Charge	0
32575	Non-hydrogen_Atom_Count	21
56640146	TPSA	113
4420	Molecular_Weight	380.78
107273	Tautomer_Count	1
59792626	Undefined_Bond_Stereo_Count	0
21901092	Exact_Mass	97.016378338
72200863	Defined_Bond_Stereo_Count	0
10772946	Total_Formal_Charge	0
62155	Hydrogen_Bond_Acceptor_Count	9
166572	XLogP3	2.1
13601826	Defined_Bond_Stereo_Count	0
34051	Rotatable_Bond_Count	3
5289085	Total_Formal_Charge	0
54051670	Defined_Atom_Stereo_Count	0
16061135	Covalent_Unit_Count	1
3033332	Defined_Atom_Stereo_Count	0
1578	Hydrogen_Bond_Acceptor_Count	1
9543443	Exact_Mass	361.07661306
441451	Tautomer_Count	1
443073	Molecular_Weight	119.12
134593	Mono_Isotopic_Weight	115.026943022
8185	Rotatable_Bond_Count	9
102614	TPSA	64.2
4376	Hydrogen_Bond_Donor_Count	3
16135076	Molecular_Weight	1459.1
4727	Defined_Bond_Stereo_Count	0
57465	Total_Formal_Charge	1
24873157	Defined_Atom_Stereo_Count	0
144891979	XLogP3-AA	0.8
8859	Exact_Mass	102.05416083
140442165	Exact_Mass	1201.84136802
61286	Defined_Bond_Stereo_Count	0
60011464	XLogP3-AA	2.5
6438372	Isotope_Atom_Count	0
14010989	Isotope_Atom_Count	0
11568443	TPSA	95.5
6917681	TPSA	44.4
11388	Total_Formal_Charge	0
3025986	Isotope_Atom_Count	0
54007	XLogP3	2.7
8747	Mono_Isotopic_Weight	322.999598
21943184	Total_Formal_Charge	0
4671	Isotope_Atom_Count	0
11953153	Molecular_Weight	489.4
445319	Defined_Atom_Stereo_Count	0
3866	Defined_Bond_Stereo_Count	0
3034828	Hydrogen_Bond_Donor_Count	9
929262	Tautomer_Count	2
8069	Covalent_Unit_Count	1
9877	Covalent_Unit_Count	1
20864	Covalent_Unit_Count	1
6438373	Defined_Bond_Stereo_Count	1
1964	Undefined_Bond_Stereo_Count	1
54726191	Covalent_Unit_Count	1
55287853	Rotatable_Bond_Count	2
12579106	Hydrogen_Bond_Donor_Count	1
90997437	Structure_Complexity	688
443868	Structure_Complexity	917
12398272	Non-hydrogen_Atom_Count	8
122236791	Covalent_Unit_Count	2
39031	Isotope_Atom_Count	0
10090285	Undefined_Atom_Stereo_Count	0
45358084	Total_Formal_Charge	0
20684386	Undefined_Bond_Stereo_Count	0
56680335	Hydrogen_Bond_Donor_Count	2
18343	Hydrogen_Bond_Donor_Count	3
57624328	Molecular_Weight	116.11
90495	Total_Formal_Charge	0
6957673	XLogP3-AA	3.3
82148	Defined_Bond_Stereo_Count	0
24781	Total_Formal_Charge	0
627951	Total_Formal_Charge	0
21576	Undefined_Atom_Stereo_Count	0
19284	XLogP3	8
62165	Undefined_Bond_Stereo_Count	1
581	Structure_Complexity	148
97226	Rotatable_Bond_Count	1
54484769	Total_Formal_Charge	0
53978942	XLogP3-AA	1.4
7269	Undefined_Atom_Stereo_Count	0
123766000	Isotope_Atom_Count	0
88534608	Hydrogen_Bond_Donor_Count	0
11418	Covalent_Unit_Count	1
756229	Non-hydrogen_Atom_Count	24
71717902	Exact_Mass	171.08211746
11585872	Hydrogen_Bond_Acceptor_Count	2
80478	Structure_Complexity	298
78202	Rotatable_Bond_Count	14
9835049	Undefined_Atom_Stereo_Count	0
3286	Non-hydrogen_Atom_Count	19
124992	Tautomer_Count	2
139246476	Mono_Isotopic_Weight	186.013186
11310242	Undefined_Bond_Stereo_Count	0
16051947	Hydrogen_Bond_Acceptor_Count	11
101417452	Covalent_Unit_Count	5
123462301	Mono_Isotopic_Weight	86.084398327
72177	XLogP3-AA	5
67822523	Covalent_Unit_Count	1
409642	Mono_Isotopic_Weight	198.02114662
114835	Non-hydrogen_Atom_Count	8
44562492	TPSA	67
219023	Covalent_Unit_Count	1
20190619	Isotope_Atom_Count	0
62118	Undefined_Atom_Stereo_Count	0
62558	Isotope_Atom_Count	0
7260	XLogP3	1.4
13724272	Isotope_Atom_Count	0
6128	Rotatable_Bond_Count	0
1265	Isotope_Atom_Count	0
130002904	Hydrogen_Bond_Acceptor_Count	2
22096	Hydrogen_Bond_Donor_Count	0
15072854	Exact_Mass	113.084063974
12867	Covalent_Unit_Count	1
2967	TPSA	141
46931005	Isotope_Atom_Count	0
9563	Undefined_Atom_Stereo_Count	5
5281647	Exact_Mass	422.08491139
6559236	Rotatable_Bond_Count	3
9811353	Hydrogen_Bond_Donor_Count	10
24360	XLogP3-AA	1
536683	Defined_Bond_Stereo_Count	0
7500	Molecular_Weight	106.16
12103	Structure_Complexity	83
85056	Undefined_Atom_Stereo_Count	0
22981451	Undefined_Bond_Stereo_Count	0
5320313	Isotope_Atom_Count	0
17533	Covalent_Unit_Count	1
75598	Exact_Mass	151.063328530
102201652	Isotope_Atom_Count	0
1367	Covalent_Unit_Count	1
5236	Mono_Isotopic_Weight	77.00388246
10638446	Undefined_Atom_Stereo_Count	0
704233	TPSA	69.6
25058186	Molecular_Weight	448.5
58506875	Mono_Isotopic_Weight	285.209264485
471161	Isotope_Atom_Count	0
31005	Defined_Bond_Stereo_Count	0
3074	Undefined_Bond_Stereo_Count	0
59966628	Exact_Mass	416.32904526
15584178	Defined_Atom_Stereo_Count	0
2736527	Tautomer_Count	2
292659	Undefined_Atom_Stereo_Count	0
134820051	XLogP3-AA	2.5
718862	Non-hydrogen_Atom_Count	20
161988362	XLogP3-AA	1.6
53895	Defined_Atom_Stereo_Count	0
11768518	Defined_Bond_Stereo_Count	0
542152	Tautomer_Count	1
4125253	Rotatable_Bond_Count	11
5876	Total_Formal_Charge	0
62034	Undefined_Bond_Stereo_Count	0
92114	Hydrogen_Bond_Donor_Count	0
37037	Undefined_Atom_Stereo_Count	0
10184774	XLogP3-AA	3.7
72208264	Rotatable_Bond_Count	0
88098	Defined_Bond_Stereo_Count	0
139024271	Defined_Bond_Stereo_Count	0
131876601	Defined_Bond_Stereo_Count	2
5062223	Defined_Atom_Stereo_Count	0
89053239	Exact_Mass	107.037113783
18779014	Covalent_Unit_Count	1
123611214	Isotope_Atom_Count	0
135398658	Hydrogen_Bond_Acceptor_Count	10
30914	Exact_Mass	122.048012819
13355	Rotatable_Bond_Count	1
11372270	Structure_Complexity	624
12607584	Hydrogen_Bond_Acceptor_Count	2
66282	Rotatable_Bond_Count	2
18952630	Structure_Complexity	52
1548900	Covalent_Unit_Count	1
60976	Molecular_Weight	215.23
56962337	Undefined_Atom_Stereo_Count	0
13462625	Undefined_Atom_Stereo_Count	1
12210512	Hydrogen_Bond_Donor_Count	0
9097	Total_Formal_Charge	0
62946	Undefined_Atom_Stereo_Count	0
139026056	Exact_Mass	342.11621151
69341308	Hydrogen_Bond_Acceptor_Count	2
130142668	Isotope_Atom_Count	0
718449	XLogP3-AA	1.8
219121	Tautomer_Count	10
12847948	Exact_Mass	111.079647300
75579	Isotope_Atom_Count	0
39223	Isotope_Atom_Count	0
281	Defined_Bond_Stereo_Count	0
10406	Undefined_Atom_Stereo_Count	1
14297260	Undefined_Bond_Stereo_Count	0
96273	Non-hydrogen_Atom_Count	9
23676152	Isotope_Atom_Count	0
535634	Mono_Isotopic_Weight	81.057849228
118209838	Isotope_Atom_Count	0
163468867	Mono_Isotopic_Weight	114.068079557
852344	Tautomer_Count	7
126961192	Undefined_Bond_Stereo_Count	0
3047751	Mono_Isotopic_Weight	309.12257474
637927	Mono_Isotopic_Weight	88.052429494
12942137	Undefined_Bond_Stereo_Count	0
24916869	Molecular_Weight	678.6
14294229	Undefined_Atom_Stereo_Count	0
662986	Covalent_Unit_Count	1
91886354	Rotatable_Bond_Count	0
140328	Isotope_Atom_Count	0
3664740	Structure_Complexity	509
6983	Hydrogen_Bond_Donor_Count	0
132596289	Mono_Isotopic_Weight	192.162648646
6451148	Molecular_Weight	247.25
517313	Total_Formal_Charge	0
5486182	Hydrogen_Bond_Acceptor_Count	12
147059143	Total_Formal_Charge	0
61594	Hydrogen_Bond_Acceptor_Count	1
17360	Undefined_Bond_Stereo_Count	1
533866	Undefined_Atom_Stereo_Count	0
18283	Total_Formal_Charge	0
134824657	Non-hydrogen_Atom_Count	38
664136	Rotatable_Bond_Count	4
58265621	Hydrogen_Bond_Acceptor_Count	2
146156670	Hydrogen_Bond_Acceptor_Count	8
22848362	Non-hydrogen_Atom_Count	24
5462350	Defined_Atom_Stereo_Count	4
8753	Mono_Isotopic_Weight	339.2692779
81207	Covalent_Unit_Count	1
7488	Covalent_Unit_Count	1
30209	Defined_Atom_Stereo_Count	0
9803119	Isotope_Atom_Count	0
7430	Mono_Isotopic_Weight	205.9649828
9870185	Hydrogen_Bond_Acceptor_Count	5
93079	Hydrogen_Bond_Donor_Count	0
4871	Exact_Mass	420.15728848
565855	Hydrogen_Bond_Acceptor_Count	3
62708	Covalent_Unit_Count	2
23667638	Undefined_Atom_Stereo_Count	0
11048104	Structure_Complexity	467
54580844	Undefined_Bond_Stereo_Count	0
24412	Hydrogen_Bond_Donor_Count	0
15535273	Undefined_Atom_Stereo_Count	0
146465392	Defined_Atom_Stereo_Count	0
24892775	Non-hydrogen_Atom_Count	34
9421	Non-hydrogen_Atom_Count	28
47932	Total_Formal_Charge	0
219077	Hydrogen_Bond_Donor_Count	0
9833444	TPSA	486
11857488	Defined_Atom_Stereo_Count	2
60478	Defined_Atom_Stereo_Count	0
444742	Rotatable_Bond_Count	25
69347707	Defined_Atom_Stereo_Count	0
6444826	Defined_Bond_Stereo_Count	1
56670170	Hydrogen_Bond_Acceptor_Count	7
10883551	Mono_Isotopic_Weight	100.052429494
73673720	Defined_Bond_Stereo_Count	0
21873527	Total_Formal_Charge	0
4358655	Hydrogen_Bond_Acceptor_Count	3
24510	Covalent_Unit_Count	1
8210	Non-hydrogen_Atom_Count	15
26710	Undefined_Atom_Stereo_Count	0
2009	Non-hydrogen_Atom_Count	15
95005	Undefined_Atom_Stereo_Count	0
35056	Hydrogen_Bond_Acceptor_Count	5
52949760	Mono_Isotopic_Weight	369.18748367
79089	Mono_Isotopic_Weight	112.03467143
11182588	Defined_Bond_Stereo_Count	0
70689387	Molecular_Weight	477.5
164705778	Molecular_Weight	342.30
167811	Mono_Isotopic_Weight	407.18616006
12498	Structure_Complexity	292
10003	Mono_Isotopic_Weight	128.04489933
44454986	Hydrogen_Bond_Acceptor_Count	9
102306506	Defined_Bond_Stereo_Count	1
15424	Exact_Mass	375.1965069
37541	Covalent_Unit_Count	1
90125683	Total_Formal_Charge	0
21106	Undefined_Bond_Stereo_Count	0
11859	Covalent_Unit_Count	1
40473166	Total_Formal_Charge	0
70681777	XLogP3-AA	2.2
70691270	Covalent_Unit_Count	1
54502555	Rotatable_Bond_Count	2
3018793	Defined_Bond_Stereo_Count	0
142482	Isotope_Atom_Count	0
91749	Hydrogen_Bond_Donor_Count	1
129099419	Mono_Isotopic_Weight	114.104465066
49808	Rotatable_Bond_Count	6
102959	Molecular_Weight	182.17
41596	Isotope_Atom_Count	0
189563	Molecular_Weight	405.4
70301	Undefined_Bond_Stereo_Count	0
24848261	Mono_Isotopic_Weight	413.1202852
7557	Total_Formal_Charge	0
12432039	Rotatable_Bond_Count	0
68289914	Isotope_Atom_Count	0
11326	Covalent_Unit_Count	1
108218	Exact_Mass	220.05177804
20974	Defined_Bond_Stereo_Count	0
7091	Structure_Complexity	140
3081361	Undefined_Bond_Stereo_Count	0
37034	Defined_Bond_Stereo_Count	0
76225402	Molecular_Weight	97.12
13349549	Rotatable_Bond_Count	0
16	Hydrogen_Bond_Donor_Count	2
8823	Molecular_Weight	122.21
3000391	TPSA	196
136346	TPSA	40.5
443391	XLogP3-AA	4.1
123247088	Hydrogen_Bond_Donor_Count	0
178145	Non-hydrogen_Atom_Count	26
59471599	XLogP3-AA	0
36457	Total_Formal_Charge	0
2734941	Exact_Mass	398.216337987
11985	Rotatable_Bond_Count	0
162413	Undefined_Bond_Stereo_Count	0
7750121	TPSA	29.1
21777	Mono_Isotopic_Weight	211.1127773
123117	Isotope_Atom_Count	0
696	Structure_Complexity	220
13019073	Undefined_Bond_Stereo_Count	0
456410	Non-hydrogen_Atom_Count	20
13247	XLogP3	2.8
44412186	XLogP3-AA	4.1
160435	Rotatable_Bond_Count	0
2864	Exact_Mass	584.33491849
39793	Hydrogen_Bond_Acceptor_Count	4
24758983	Molecular_Weight	420.4
56680337	Defined_Bond_Stereo_Count	0
86876	Defined_Atom_Stereo_Count	0
11537871	Exact_Mass	364.20115941
40813	Undefined_Atom_Stereo_Count	0
6321411	Undefined_Bond_Stereo_Count	0
54767229	Hydrogen_Bond_Donor_Count	1
49862691	Covalent_Unit_Count	1
72930	XLogP3	1.5
127382	Hydrogen_Bond_Acceptor_Count	5
44338774	XLogP3-AA	3.2
7470	Non-hydrogen_Atom_Count	10
62264	Defined_Bond_Stereo_Count	0
15016062	Defined_Bond_Stereo_Count	0
13804	Exact_Mass	488.10733165
7410	XLogP3	1.6
44455701	XLogP3-AA	3.8
631468	XLogP3-AA	2.2
21955784	Exact_Mass	158.048012819
6538982	Defined_Atom_Stereo_Count	0
25023853	Defined_Bond_Stereo_Count	0
60209141	Isotope_Atom_Count	0
49869877	Hydrogen_Bond_Donor_Count	2
6433334	Exact_Mass	434.08412
53464	Non-hydrogen_Atom_Count	19
19073932	Molecular_Weight	114.14
139771583	Undefined_Bond_Stereo_Count	0
25271812	Isotope_Atom_Count	0
12702413	Molecular_Weight	180.20
12209481	XLogP3-AA	1.2
7751	Mono_Isotopic_Weight	122.0134572
2795425	Structure_Complexity	123
852933	XLogP3-AA	2.2
58645437	Covalent_Unit_Count	1
316177	Mono_Isotopic_Weight	200.083729621
3045402	Rotatable_Bond_Count	0
29498	Isotope_Atom_Count	0
11954236	Isotope_Atom_Count	0
129676242	Defined_Atom_Stereo_Count	0
34005	Structure_Complexity	56
16750094	Structure_Complexity	543
87474167	Structure_Complexity	79.8
160998	Molecular_Weight	81.80
13647	Undefined_Atom_Stereo_Count	0
153754883	Molecular_Weight	114.06
20394923	TPSA	46.2
165491	Mono_Isotopic_Weight	665.10096317
2412	Non-hydrogen_Atom_Count	98
36588	Covalent_Unit_Count	1
16049158	Hydrogen_Bond_Donor_Count	5
102233552	Undefined_Atom_Stereo_Count	0
5193	Undefined_Atom_Stereo_Count	1
70694239	Hydrogen_Bond_Donor_Count	1
137783	XLogP3-AA	0.5
25185057	Mono_Isotopic_Weight	507.30184471
75306	Undefined_Atom_Stereo_Count	0
18447	Structure_Complexity	423
4350	Defined_Bond_Stereo_Count	0
21081761	XLogP3-AA	4.1
16212746	Molecular_Weight	344.40
5353431	Non-hydrogen_Atom_Count	14
9795	Defined_Bond_Stereo_Count	0
12590282	Isotope_Atom_Count	0
10393	Non-hydrogen_Atom_Count	10
22227092	Exact_Mass	96.057514874
143552208	Defined_Bond_Stereo_Count	0
6918562	TPSA	358
67828	XLogP3	2.2
219608	Covalent_Unit_Count	1
6918493	Hydrogen_Bond_Acceptor_Count	6
23049714	Mono_Isotopic_Weight	165.02483502
25201976	Non-hydrogen_Atom_Count	13
6922967	Exact_Mass	166.123189134
4023	TPSA	90.4
134551	Hydrogen_Bond_Acceptor_Count	6
64397633	XLogP3-AA	0.7
19371857	Isotope_Atom_Count	0
9120	Covalent_Unit_Count	1
5568	Defined_Bond_Stereo_Count	0
91061	Total_Formal_Charge	0
11161534	Rotatable_Bond_Count	3
11511	Hydrogen_Bond_Donor_Count	0
16600	Rotatable_Bond_Count	5
5299	Defined_Bond_Stereo_Count	0
636403	XLogP3-AA	6.4
62835	Rotatable_Bond_Count	0
9879368	Tautomer_Count	1
12899069	TPSA	118
439286	Tautomer_Count	2
11366954	Undefined_Bond_Stereo_Count	0
1515	Molecular_Weight	224.26
54413601	Non-hydrogen_Atom_Count	20
86252	Tautomer_Count	2
72823952	Undefined_Atom_Stereo_Count	2
7320	Total_Formal_Charge	0
5223	Defined_Atom_Stereo_Count	0
3083542	Exact_Mass	400.26135963
124014051	Mono_Isotopic_Weight	113.084063974
542882	Structure_Complexity	194
399235	Total_Formal_Charge	0
9013	Defined_Atom_Stereo_Count	0
10662	Defined_Atom_Stereo_Count	0
11701820	Defined_Atom_Stereo_Count	0
61523	Mono_Isotopic_Weight	164.120115130
91468768	Structure_Complexity	161
19375411	Hydrogen_Bond_Donor_Count	0
86388	Molecular_Weight	335.4
20388	Mono_Isotopic_Weight	531.85339
60702934	Defined_Bond_Stereo_Count	0
20996	XLogP3	8.5
9841	Molecular_Weight	120.12
20331520	Hydrogen_Bond_Donor_Count	1
37918	Rotatable_Bond_Count	4
20665999	Undefined_Atom_Stereo_Count	0
19089	Rotatable_Bond_Count	3
31416	Defined_Bond_Stereo_Count	0
164608	Undefined_Bond_Stereo_Count	0
445461	Hydrogen_Bond_Donor_Count	9
98136	Rotatable_Bond_Count	2
970	Hydrogen_Bond_Acceptor_Count	5
17994055	TPSA	74.9
12720	Undefined_Atom_Stereo_Count	0
638116	Hydrogen_Bond_Acceptor_Count	1
1376	Total_Formal_Charge	0
4713215	Rotatable_Bond_Count	0
3014295	Defined_Bond_Stereo_Count	0
451189	Non-hydrogen_Atom_Count	12
24973796	Molecular_Weight	99.13
70789202	Undefined_Bond_Stereo_Count	0
630355	Undefined_Atom_Stereo_Count	0
6713443	XLogP3-AA	3.3
13165124	Total_Formal_Charge	0
13107533	Exact_Mass	102.068079557
7772	Mono_Isotopic_Weight	144.115029749
637	Defined_Bond_Stereo_Count	0
11497836	Total_Formal_Charge	0
127150	TPSA	103
18624859	Undefined_Atom_Stereo_Count	0
21680715	Undefined_Bond_Stereo_Count	0
6422843	Undefined_Atom_Stereo_Count	0
11842633	Molecular_Weight	504.6
4582877	Hydrogen_Bond_Donor_Count	0
135887830	Hydrogen_Bond_Donor_Count	21
554	Isotope_Atom_Count	0
54789	Tautomer_Count	1
93847	Structure_Complexity	264
67314475	TPSA	40.7
40894	Hydrogen_Bond_Acceptor_Count	1
14491	Molecular_Weight	150.3
62731702	Total_Formal_Charge	0
129628889	Structure_Complexity	285
156618034	Hydrogen_Bond_Acceptor_Count	11
107775	Undefined_Bond_Stereo_Count	0
70690637	Molecular_Weight	415.4
35368	Total_Formal_Charge	0
12688	Covalent_Unit_Count	1
51051642	Hydrogen_Bond_Acceptor_Count	17
22053930	Hydrogen_Bond_Acceptor_Count	2
1502	Total_Formal_Charge	1
69117541	Covalent_Unit_Count	1
6441082	Molecular_Weight	356.4
11029779	Non-hydrogen_Atom_Count	8
221493	Rotatable_Bond_Count	4
21803	Structure_Complexity	278
3614092	Hydrogen_Bond_Donor_Count	1
37183	Exact_Mass	46.016712692
5388961	TPSA	171
71310254	Hydrogen_Bond_Donor_Count	8
42808	Exact_Mass	155.930033
18923031	Rotatable_Bond_Count	0
98047379	Defined_Atom_Stereo_Count	8
42602176	XLogP3-AA	1.3
80085	Isotope_Atom_Count	0
13437467	Structure_Complexity	72.1
18373078	Molecular_Weight	97.07
15683	Hydrogen_Bond_Donor_Count	0
372978	Undefined_Bond_Stereo_Count	0
15604	Tautomer_Count	1
5351197	Undefined_Bond_Stereo_Count	0
135508048	Defined_Atom_Stereo_Count	0
126968519	Undefined_Atom_Stereo_Count	1
5283454	Molecular_Weight	325.5
6871	Exact_Mass	216.09977361
53262012	Undefined_Atom_Stereo_Count	1
88709052	Mono_Isotopic_Weight	103.063328530
54751657	Undefined_Atom_Stereo_Count	0
166585863	Covalent_Unit_Count	1
44629593	Hydrogen_Bond_Donor_Count	5
40841	Covalent_Unit_Count	1
15667210	Total_Formal_Charge	0
93171	Defined_Bond_Stereo_Count	0
4964	Rotatable_Bond_Count	2
84598	Rotatable_Bond_Count	0
40468194	TPSA	147
3015210	Hydrogen_Bond_Acceptor_Count	2
75779	Molecular_Weight	452.8
23588	Undefined_Atom_Stereo_Count	0
60203	Defined_Atom_Stereo_Count	0
6457	Mono_Isotopic_Weight	260.120115130
10325129	Hydrogen_Bond_Acceptor_Count	8
283654	Mono_Isotopic_Weight	264.13615911
22983309	Non-hydrogen_Atom_Count	8
6994	XLogP3	1.6
22238266	Undefined_Atom_Stereo_Count	0
43834572	Isotope_Atom_Count	0
178925	Molecular_Weight	193.24
1136	Total_Formal_Charge	0
448837	Defined_Atom_Stereo_Count	8
21414	Defined_Atom_Stereo_Count	0
14782182	Molecular_Weight	115.17
19877808	Undefined_Bond_Stereo_Count	0
11534927	Hydrogen_Bond_Acceptor_Count	7
22226235	Defined_Atom_Stereo_Count	0
17028077	Covalent_Unit_Count	1
57393451	Mono_Isotopic_Weight	671.26744835
637541	Molecular_Weight	164.16
128682	Exact_Mass	315.173547683
483765	Structure_Complexity	479
656612	Hydrogen_Bond_Donor_Count	0
22313123	Structure_Complexity	297
107280	Hydrogen_Bond_Donor_Count	0
14577084	Rotatable_Bond_Count	0
55423	Defined_Bond_Stereo_Count	0
20648899	Non-hydrogen_Atom_Count	8
76974809	Total_Formal_Charge	0
54285963	Structure_Complexity	198
6365696	Exact_Mass	280.240230259
5487496	Exact_Mass	509.28897135
88267	Undefined_Bond_Stereo_Count	0
13808289	Non-hydrogen_Atom_Count	8
74168	TPSA	38
17129	Molecular_Weight	172.26
9073	Rotatable_Bond_Count	5
15122	Defined_Bond_Stereo_Count	0
7146288	Structure_Complexity	427
142959	Molecular_Weight	116.07
87953	Rotatable_Bond_Count	17
134008	Rotatable_Bond_Count	4
21122	Undefined_Atom_Stereo_Count	0
12242810	Defined_Atom_Stereo_Count	3
5684	Hydrogen_Bond_Acceptor_Count	5
4997	Structure_Complexity	340
20590622	Isotope_Atom_Count	0
19972	Hydrogen_Bond_Donor_Count	2
92210	Structure_Complexity	72.9
13834698	Undefined_Bond_Stereo_Count	0
67795854	Rotatable_Bond_Count	4
5462508	Covalent_Unit_Count	1
153939682	Defined_Bond_Stereo_Count	0
20439427	Hydrogen_Bond_Donor_Count	1
3393	Undefined_Atom_Stereo_Count	0
22830	TPSA	63.4
8783	Undefined_Bond_Stereo_Count	0
21983433	Hydrogen_Bond_Acceptor_Count	3
5310957	Covalent_Unit_Count	1
31224	Undefined_Bond_Stereo_Count	2
4648	Rotatable_Bond_Count	10
130525028	Covalent_Unit_Count	1
170530	Covalent_Unit_Count	1
11483754	Defined_Atom_Stereo_Count	4
9989264	Defined_Bond_Stereo_Count	0
567743	Defined_Bond_Stereo_Count	0
91563	Mono_Isotopic_Weight	74.036779430
12278607	Total_Formal_Charge	0
25102938	Mono_Isotopic_Weight	361.11210749
91012209	Defined_Bond_Stereo_Count	0
36119	Molecular_Weight	447.5
14130	Structure_Complexity	212
10377751	Mono_Isotopic_Weight	257.02589765
53898266	Hydrogen_Bond_Acceptor_Count	3
10442928	Mono_Isotopic_Weight	204.187800766
22648408	Mono_Isotopic_Weight	116.047344113
642157	Molecular_Weight	121.16
347402	Isotope_Atom_Count	0
273577	TPSA	24.9
16133850	Hydrogen_Bond_Donor_Count	60
101731271	Undefined_Bond_Stereo_Count	0
9601349	Tautomer_Count	1
125286696	Covalent_Unit_Count	1
8777	Undefined_Atom_Stereo_Count	0
4043	Molecular_Weight	344.5
129474	Defined_Atom_Stereo_Count	0
107950	Mono_Isotopic_Weight	278.07793079
140152869	Rotatable_Bond_Count	2
82322	Molecular_Weight	117.15
18660697	Hydrogen_Bond_Acceptor_Count	9
10007	Exact_Mass	183.0814771
10766	Structure_Complexity	247
54340209	Covalent_Unit_Count	1
519849	Covalent_Unit_Count	1
79809	Defined_Atom_Stereo_Count	0
11294	Undefined_Atom_Stereo_Count	0
115011064	Mono_Isotopic_Weight	114.068079557
95720	TPSA	79.8
4873	Structure_Complexity	2
886088	Mono_Isotopic_Weight	338.0921014
53477781	Rotatable_Bond_Count	12
36272	Mono_Isotopic_Weight	439.21409234
122844	Exact_Mass	454.34469533
57238241	XLogP3-AA	2
77137	Structure_Complexity	50
10923804	Mono_Isotopic_Weight	275.11912932
6178111	Total_Formal_Charge	0
16211032	Non-hydrogen_Atom_Count	23
77690	Defined_Bond_Stereo_Count	0
160355	Non-hydrogen_Atom_Count	26
79346	Covalent_Unit_Count	1
9940864	Structure_Complexity	1460
129830140	Defined_Bond_Stereo_Count	1
2435	Rotatable_Bond_Count	2
27941	Total_Formal_Charge	0
9568613	Non-hydrogen_Atom_Count	49
2100	Molecular_Weight	919.0
76220109	XLogP3-AA	0.2
128815	Hydrogen_Bond_Acceptor_Count	8
135403802	Hydrogen_Bond_Donor_Count	4
35841	Hydrogen_Bond_Acceptor_Count	1
98719	Hydrogen_Bond_Acceptor_Count	2
3158	Rotatable_Bond_Count	3
52941568	Defined_Atom_Stereo_Count	0
46830487	Isotope_Atom_Count	0
5365552	XLogP3-AA	2.4
160508452	Exact_Mass	527.23263824
548282	Isotope_Atom_Count	0
5311093	Undefined_Bond_Stereo_Count	0
51030529	Defined_Bond_Stereo_Count	0
68401	Undefined_Bond_Stereo_Count	0
10563	Isotope_Atom_Count	0
137212229	Exact_Mass	87.043261792
73425700	Defined_Atom_Stereo_Count	0
24197462	Exact_Mass	397.060151
13220642	Rotatable_Bond_Count	0
81466	Structure_Complexity	129
2804680	Mono_Isotopic_Weight	283.0211625
10198719	Mono_Isotopic_Weight	243.08301860
119097554	Structure_Complexity	80.2
9874875	Hydrogen_Bond_Donor_Count	1
69917	Rotatable_Bond_Count	2
57481197	Hydrogen_Bond_Donor_Count	1
68876	Defined_Atom_Stereo_Count	0
103984	Rotatable_Bond_Count	6
36688207	Hydrogen_Bond_Acceptor_Count	2
5284441	Hydrogen_Bond_Acceptor_Count	2
135565106	Defined_Atom_Stereo_Count	0
46909057	Defined_Bond_Stereo_Count	0
56859	XLogP3-AA	2.9
527526	Hydrogen_Bond_Acceptor_Count	0
11226684	Defined_Atom_Stereo_Count	8
46830239	Rotatable_Bond_Count	3
46835136	Hydrogen_Bond_Donor_Count	1
81923	Undefined_Atom_Stereo_Count	0
517045	Undefined_Bond_Stereo_Count	0
53322797	Defined_Bond_Stereo_Count	0
25001849	Mono_Isotopic_Weight	428.17723029
12609623	Hydrogen_Bond_Acceptor_Count	2
65874	Defined_Bond_Stereo_Count	0
414420	TPSA	26.3
4224596	Mono_Isotopic_Weight	207.01159025
2736567	Hydrogen_Bond_Donor_Count	1
78106	Tautomer_Count	1
3404326	Exact_Mass	209.05875492
10435654	Non-hydrogen_Atom_Count	32
289151	Isotope_Atom_Count	0
24191118	Exact_Mass	296.939948
694395	Structure_Complexity	440
20705517	Covalent_Unit_Count	1
60975	Undefined_Atom_Stereo_Count	1
7076	Defined_Bond_Stereo_Count	0
6198	Mono_Isotopic_Weight	226.0872908
2193	Isotope_Atom_Count	0
73672	Rotatable_Bond_Count	7
68414798	Covalent_Unit_Count	3
5376	XLogP3-AA	7.1
19385892	Exact_Mass	88.100048391
1471380	Hydrogen_Bond_Acceptor_Count	5
5817	Undefined_Atom_Stereo_Count	0
57780614	Defined_Atom_Stereo_Count	0
53436345	Molecular_Weight	98.10
36302	Defined_Atom_Stereo_Count	0
51701	Rotatable_Bond_Count	7
549482	TPSA	17.1
68646	Exact_Mass	229.1233420
95162412	Defined_Bond_Stereo_Count	0
20276	Structure_Complexity	71.4
53655	Non-hydrogen_Atom_Count	63
12630477	Isotope_Atom_Count	0
14208378	Tautomer_Count	1
1930	Total_Formal_Charge	0
9919816	Undefined_Atom_Stereo_Count	0
198136	Undefined_Bond_Stereo_Count	0
56842070	Undefined_Atom_Stereo_Count	0
5463911	TPSA	38.7
67805120	TPSA	0
29029	Defined_Atom_Stereo_Count	7
89116579	Non-hydrogen_Atom_Count	8
18506429	Total_Formal_Charge	0
5831	Rotatable_Bond_Count	4
130126869	Undefined_Bond_Stereo_Count	0
3661	Hydrogen_Bond_Acceptor_Count	4
35076	Hydrogen_Bond_Donor_Count	3
1127	Non-hydrogen_Atom_Count	5
10285793	Molecular_Weight	128.09
125027416	Undefined_Atom_Stereo_Count	0
27991	Defined_Bond_Stereo_Count	0
7166	Molecular_Weight	162.18
10975533	Non-hydrogen_Atom_Count	7
134688803	Undefined_Bond_Stereo_Count	0
58265178	Covalent_Unit_Count	1
22083393	Structure_Complexity	129
409548	Total_Formal_Charge	0
20723390	Defined_Atom_Stereo_Count	0
15565266	Defined_Bond_Stereo_Count	0
9840517	Undefined_Atom_Stereo_Count	0
131535	TPSA	192
642325	XLogP3-AA	1.4
122345	TPSA	90.4
21930924	Molecular_Weight	371.2
62474	Covalent_Unit_Count	1
19816186	Structure_Complexity	107
3085168	Defined_Atom_Stereo_Count	0
66102	Hydrogen_Bond_Acceptor_Count	4
79224	Hydrogen_Bond_Donor_Count	0
21117498	Undefined_Atom_Stereo_Count	0
4683	Exact_Mass	319.07257305
1549062	Defined_Atom_Stereo_Count	0
34192	Undefined_Atom_Stereo_Count	0
335	TPSA	20.2
3033968	Undefined_Atom_Stereo_Count	0
13512	Defined_Bond_Stereo_Count	0
6279	Total_Formal_Charge	0
53936528	Covalent_Unit_Count	1
145188444	Molecular_Weight	114.15
37140	Defined_Atom_Stereo_Count	0
6510	Defined_Atom_Stereo_Count	0
16109396	Molecular_Weight	356.4
18962468	Isotope_Atom_Count	0
6880	XLogP3	1.9
129769827	Defined_Bond_Stereo_Count	0
440141	Tautomer_Count	3
85573568	Isotope_Atom_Count	0
7573	Exact_Mass	226.146998583
84647647	Defined_Atom_Stereo_Count	0
68713	Defined_Bond_Stereo_Count	0
6336	Tautomer_Count	1
140523	Covalent_Unit_Count	1
135505	Molecular_Weight	243.35
71586929	Mono_Isotopic_Weight	281.990079
14840499	Defined_Bond_Stereo_Count	0
5271570	Exact_Mass	228.13615911
10265934	Rotatable_Bond_Count	3
12774278	Total_Formal_Charge	0
11748	XLogP3-AA	0
23385871	Rotatable_Bond_Count	0
63686	Tautomer_Count	5
123827359	TPSA	54.4
40894	Isotope_Atom_Count	0
71346	Undefined_Bond_Stereo_Count	0
442965	Tautomer_Count	1
1246	Hydrogen_Bond_Donor_Count	1
19089031	Structure_Complexity	41.4
80230	Molecular_Weight	160.14
71584285	XLogP3-AA	2
28540	Tautomer_Count	3
3260420	Non-hydrogen_Atom_Count	4
31101	TPSA	118
258030	Molecular_Weight	127.57
6432517	Isotope_Atom_Count	0
63826	Tautomer_Count	50
86367	Undefined_Bond_Stereo_Count	0
1268142	Molecular_Weight	218.33
65388	Undefined_Bond_Stereo_Count	0
705145	Rotatable_Bond_Count	6
15951487	Non-hydrogen_Atom_Count	28
53432	TPSA	15.6
20499147	Defined_Bond_Stereo_Count	0
13973341	Exact_Mass	115.099714038
2000	XLogP3	0.6
25000	Exact_Mass	182.908829
58024981	TPSA	50.9
19370943	Undefined_Atom_Stereo_Count	0
14306122	TPSA	52.6
56675795	Isotope_Atom_Count	0
6328163	Exact_Mass	500.0545926
26731	Hydrogen_Bond_Acceptor_Count	2
61918	Defined_Atom_Stereo_Count	0
28327	Exact_Mass	490.0846756
72200940	Hydrogen_Bond_Donor_Count	1
2958	Hydrogen_Bond_Donor_Count	5
156614059	Undefined_Atom_Stereo_Count	0
69188	Covalent_Unit_Count	1
375	Rotatable_Bond_Count	31
6433110	Undefined_Atom_Stereo_Count	0
11137101	Undefined_Atom_Stereo_Count	0
99295	Tautomer_Count	1
3083445	Undefined_Bond_Stereo_Count	0
9855455	Hydrogen_Bond_Acceptor_Count	2
15940949	Exact_Mass	495.27332129
8087	Non-hydrogen_Atom_Count	9
2218	Hydrogen_Bond_Acceptor_Count	2
16686	TPSA	0
721456	Total_Formal_Charge	0
140	Structure_Complexity	624
21863274	Rotatable_Bond_Count	2
31200	Total_Formal_Charge	0
10129907	Defined_Bond_Stereo_Count	0
5311312	TPSA	485
94671	Total_Formal_Charge	0
2795218	Molecular_Weight	113.11
134812042	Total_Formal_Charge	0
71464488	Undefined_Bond_Stereo_Count	0
11048	Hydrogen_Bond_Donor_Count	0
70697507	Structure_Complexity	516
59277765	Defined_Atom_Stereo_Count	0
13562	Molecular_Weight	103.12
5293	Structure_Complexity	858
54567078	Undefined_Bond_Stereo_Count	0
103528	Total_Formal_Charge	0
59350891	Exact_Mass	92.062600255
12240	Undefined_Atom_Stereo_Count	0
19648	Undefined_Atom_Stereo_Count	0
20525471	Exact_Mass	96.043596145
2826036	Molecular_Weight	236.25
221523	Mono_Isotopic_Weight	84.057514874
139190714	Undefined_Atom_Stereo_Count	0
138195	Non-hydrogen_Atom_Count	9
58191	Covalent_Unit_Count	1
6047	Molecular_Weight	197.19
6451477	Non-hydrogen_Atom_Count	7
147193	Molecular_Weight	199.04
9889867	Mono_Isotopic_Weight	448.21105539
121596705	Defined_Bond_Stereo_Count	0
91693	Rotatable_Bond_Count	5
8291	Exact_Mass	264.05514589
11643980	Non-hydrogen_Atom_Count	11
9931156	Covalent_Unit_Count	1
42552713	Exact_Mass	342.11621151
477	Defined_Atom_Stereo_Count	0
62403	Rotatable_Bond_Count	9
5371728	Defined_Atom_Stereo_Count	0
11017	Hydrogen_Bond_Acceptor_Count	7
3034024	Non-hydrogen_Atom_Count	21
153997	Isotope_Atom_Count	0
70677	Total_Formal_Charge	0
65837	Tautomer_Count	4
25959	Molecular_Weight	211.95
2736256	Total_Formal_Charge	0
16211984	Non-hydrogen_Atom_Count	12
8289	Undefined_Atom_Stereo_Count	0
71583049	TPSA	113
639661	Molecular_Weight	84.16
119054	Hydrogen_Bond_Acceptor_Count	5
23680518	Defined_Atom_Stereo_Count	7
141276996	Hydrogen_Bond_Donor_Count	1
409347	Defined_Bond_Stereo_Count	0
54015928	Mono_Isotopic_Weight	97.052763847
104769	Undefined_Bond_Stereo_Count	0
10712	Mono_Isotopic_Weight	342.11621151
736	Defined_Atom_Stereo_Count	0
10197646	Covalent_Unit_Count	1
44485	Structure_Complexity	208
44458766	TPSA	157
37109	Isotope_Atom_Count	0
59290	Undefined_Atom_Stereo_Count	5
12454	Mono_Isotopic_Weight	400.1376123
69161653	XLogP3-AA	1.1
60196333	Undefined_Atom_Stereo_Count	0
338690	Exact_Mass	114.042927438
11127402	Non-hydrogen_Atom_Count	15
129806307	Molecular_Weight	113.11
14236864	Defined_Bond_Stereo_Count	0
27182	Mono_Isotopic_Weight	269.177964357
73829111	XLogP3-AA	1.8
66603768	Exact_Mass	351.1560986
5470	Defined_Atom_Stereo_Count	0
720674	Mono_Isotopic_Weight	210.115698455
6715	TPSA	51.2
20038	XLogP3	3
3054	Non-hydrogen_Atom_Count	20
198015	Isotope_Atom_Count	0
4996851	Mono_Isotopic_Weight	190.00866719
9824953	Undefined_Atom_Stereo_Count	0
166718	Tautomer_Count	1
103564347	Undefined_Atom_Stereo_Count	0
222171	Total_Formal_Charge	0
13651	TPSA	12.9
560	Undefined_Atom_Stereo_Count	2
47364	Undefined_Bond_Stereo_Count	0
131682	Covalent_Unit_Count	1
6003	Hydrogen_Bond_Donor_Count	0
19830152	Molecular_Weight	84.07
8212	Molecular_Weight	302.9
9065	Tautomer_Count	1
73538	Undefined_Atom_Stereo_Count	0
5311027	Mono_Isotopic_Weight	415.27225866
289847	Defined_Atom_Stereo_Count	0
14823	Tautomer_Count	1
91063960	Rotatable_Bond_Count	1
471583	Structure_Complexity	341
7846	Total_Formal_Charge	0
12762328	Defined_Bond_Stereo_Count	0
9136	Tautomer_Count	1
24385	Defined_Atom_Stereo_Count	0
11597697	Mono_Isotopic_Weight	455.17599275
69317	Defined_Bond_Stereo_Count	0
5773	Mono_Isotopic_Weight	415.06604838
78043	Molecular_Weight	112.13
6324	XLogP3-AA	1.3
44324941	TPSA	69.2
54210121	Covalent_Unit_Count	1
23694217	Defined_Atom_Stereo_Count	6
66733	Exact_Mass	217.05613515
57548589	Hydrogen_Bond_Donor_Count	0
18407	Molecular_Weight	130.14
6431301	Isotope_Atom_Count	0
17963227	Undefined_Bond_Stereo_Count	0
36149	TPSA	93.1
3437714	XLogP3-AA	2.3
148013616	Isotope_Atom_Count	0
135408964	Mono_Isotopic_Weight	452.2230560
6442	Hydrogen_Bond_Acceptor_Count	3
116701105	Isotope_Atom_Count	0
18029	Undefined_Atom_Stereo_Count	0
102182857	Mono_Isotopic_Weight	358.1926522
17171354	Exact_Mass	114.079312947
14740383	Hydrogen_Bond_Donor_Count	0
10290728	Total_Formal_Charge	0
9823302	Exact_Mass	421.036590
156651923	Undefined_Bond_Stereo_Count	0
7406	Undefined_Bond_Stereo_Count	0
123840004	Hydrogen_Bond_Acceptor_Count	0
564558	Molecular_Weight	168.23
3280	Isotope_Atom_Count	0
216325	Molecular_Weight	616.9
11655511	Defined_Bond_Stereo_Count	0
5283381	Defined_Atom_Stereo_Count	0
19704592	Rotatable_Bond_Count	0
63624	Undefined_Atom_Stereo_Count	0
121249	XLogP3	4.5
81278	Hydrogen_Bond_Acceptor_Count	1
88901652	TPSA	38.7
80507	Non-hydrogen_Atom_Count	7
12149091	Mono_Isotopic_Weight	556.381749540
4571243	Exact_Mass	342.29123426
77241	Rotatable_Bond_Count	3
11949597	TPSA	69.4
3446	Undefined_Atom_Stereo_Count	0
256019	Hydrogen_Bond_Acceptor_Count	4
54372438	XLogP3-AA	0.3
2995	Non-hydrogen_Atom_Count	20
21314538	Defined_Atom_Stereo_Count	0
5358751	Rotatable_Bond_Count	5
134150	Undefined_Atom_Stereo_Count	0
75534860	Exact_Mass	665.30474055
139081837	Hydrogen_Bond_Acceptor_Count	4
44554	Structure_Complexity	945
14812	Undefined_Bond_Stereo_Count	0
9806063	Covalent_Unit_Count	4
11556711	Rotatable_Bond_Count	20
36405	Hydrogen_Bond_Donor_Count	0
65111	Structure_Complexity	123
5283731	Structure_Complexity	655
18755331	Rotatable_Bond_Count	1
73896891	Defined_Atom_Stereo_Count	12
65211	Non-hydrogen_Atom_Count	33
12757499	Total_Formal_Charge	0
5310993	Undefined_Bond_Stereo_Count	0
6257	Molecular_Weight	223.22
24785538	TPSA	116
9433	Defined_Bond_Stereo_Count	0
123809941	Rotatable_Bond_Count	0
75427	Rotatable_Bond_Count	5
12566815	Non-hydrogen_Atom_Count	16
442196	Hydrogen_Bond_Acceptor_Count	4
14851	Exact_Mass	142.0185425
3231	Exact_Mass	400.18858861
5463854	Total_Formal_Charge	0
54738	Undefined_Bond_Stereo_Count	0
656495	Structure_Complexity	638
59295925	Defined_Atom_Stereo_Count	1
20979505	Non-hydrogen_Atom_Count	8
17142	Mono_Isotopic_Weight	297.09608521
6420039	Tautomer_Count	1
10091748	Structure_Complexity	586
69640	Hydrogen_Bond_Acceptor_Count	2
59290	TPSA	186
129791	Defined_Atom_Stereo_Count	0
2733531	Total_Formal_Charge	0
9898814	XLogP3-AA	0.1
69370	Hydrogen_Bond_Donor_Count	2
599	Isotope_Atom_Count	0
57420151	Rotatable_Bond_Count	0
10258659	Rotatable_Bond_Count	7
6441388	Undefined_Atom_Stereo_Count	0
638228	Hydrogen_Bond_Donor_Count	0
88483	Mono_Isotopic_Weight	115.063328530
64738	Rotatable_Bond_Count	4
50993724	Covalent_Unit_Count	1
19830152	XLogP3-AA	0
78759292	Rotatable_Bond_Count	1
11611	TPSA	0
876	TPSA	88.6
68736	Covalent_Unit_Count	1
12656387	Rotatable_Bond_Count	0
594130	TPSA	44
85500	Non-hydrogen_Atom_Count	26
12059	XLogP3	2.7
129627774	Exact_Mass	1033.54575866
98471	Hydrogen_Bond_Acceptor_Count	2
71683048	Undefined_Bond_Stereo_Count	0
5497	Tautomer_Count	1
11478	Hydrogen_Bond_Acceptor_Count	7
18424759	Undefined_Atom_Stereo_Count	0
74454	Total_Formal_Charge	0
675587	Undefined_Atom_Stereo_Count	0
9845622	Hydrogen_Bond_Donor_Count	4
86790	Defined_Atom_Stereo_Count	0
10991161	Isotope_Atom_Count	0
26514	Rotatable_Bond_Count	6
48104	Molecular_Weight	259.77
144459	Total_Formal_Charge	0
533866	Structure_Complexity	37.1
71652	Covalent_Unit_Count	1
5681	Molecular_Weight	340.9
44339046	Hydrogen_Bond_Donor_Count	2
18692	TPSA	40.5
57400316	XLogP3	1.9
21107383	Structure_Complexity	485
12359154	Total_Formal_Charge	0
10251906	Defined_Bond_Stereo_Count	0
160796	Exact_Mass	295.0894550
185902	Non-hydrogen_Atom_Count	27
147078	Defined_Atom_Stereo_Count	3
79008	Isotope_Atom_Count	0
9794203	Covalent_Unit_Count	1
7568	Molecular_Weight	260.20
11926	Total_Formal_Charge	0
11441554	Undefined_Atom_Stereo_Count	0
24848345	Isotope_Atom_Count	0
2032	Mono_Isotopic_Weight	334.262028332
7118	Isotope_Atom_Count	0
67782142	Covalent_Unit_Count	1
11217523	Defined_Atom_Stereo_Count	2
53678373	Undefined_Bond_Stereo_Count	0
16052007	Hydrogen_Bond_Acceptor_Count	7
5288499	Defined_Atom_Stereo_Count	8
40602794	Rotatable_Bond_Count	3
15980798	Defined_Bond_Stereo_Count	0
6087	Structure_Complexity	600
6921705	Rotatable_Bond_Count	2
2416	Covalent_Unit_Count	1
139133	Exact_Mass	114.068079557
52148	Undefined_Atom_Stereo_Count	0
2462	Undefined_Atom_Stereo_Count	9
668624	Structure_Complexity	396
53316385	Exact_Mass	603.1691619
133119249	Defined_Atom_Stereo_Count	5
16071605	Undefined_Atom_Stereo_Count	0
11474262	Undefined_Bond_Stereo_Count	0
86356	TPSA	35
13183276	Covalent_Unit_Count	1
136005230	Defined_Atom_Stereo_Count	0
6604914	Undefined_Bond_Stereo_Count	0
171375	Defined_Bond_Stereo_Count	0
85963	Covalent_Unit_Count	1
138137	Hydrogen_Bond_Acceptor_Count	0
71462100	Total_Formal_Charge	0
7526	Defined_Atom_Stereo_Count	0
165365661	Covalent_Unit_Count	3
62351	Covalent_Unit_Count	1
52999	Total_Formal_Charge	0
25126798	Rotatable_Bond_Count	4
11768551	Hydrogen_Bond_Acceptor_Count	2
16130957	Covalent_Unit_Count	1
643918	Defined_Bond_Stereo_Count	1
12717520	Hydrogen_Bond_Donor_Count	1
71449805	Defined_Bond_Stereo_Count	0
15830	Isotope_Atom_Count	0
13033202	Rotatable_Bond_Count	0
46841787	Hydrogen_Bond_Acceptor_Count	13
87869859	Covalent_Unit_Count	1
261501	Exact_Mass	261.06709375
71782	Defined_Bond_Stereo_Count	0
3127	XLogP3	2.4
107202	Exact_Mass	166.062994177
100933147	TPSA	277
42608178	Defined_Atom_Stereo_Count	1
9474	Mono_Isotopic_Weight	150.00926271
12202794	Non-hydrogen_Atom_Count	8
6419536	Mono_Isotopic_Weight	240.137496527
441243	Undefined_Bond_Stereo_Count	0
11446863	Molecular_Weight	194.13
25271782	Undefined_Bond_Stereo_Count	0
99033	Hydrogen_Bond_Acceptor_Count	5
22508510	Non-hydrogen_Atom_Count	8
63954	Rotatable_Bond_Count	2
192435	Isotope_Atom_Count	0
71380	Rotatable_Bond_Count	0
10070040	XLogP3	4.2
17807203	Rotatable_Bond_Count	2
289085	TPSA	108
11203	Undefined_Atom_Stereo_Count	0
544380	Defined_Bond_Stereo_Count	0
2775510	Non-hydrogen_Atom_Count	22
44176376	Total_Formal_Charge	1
6438129	Rotatable_Bond_Count	7
71301276	Rotatable_Bond_Count	2
479	Non-hydrogen_Atom_Count	18
79840	XLogP3-AA	0.5
102503853	Defined_Bond_Stereo_Count	0
103687	Undefined_Atom_Stereo_Count	1
10178	Total_Formal_Charge	0
136419	Isotope_Atom_Count	0
11372270	Rotatable_Bond_Count	5
13912815	Mono_Isotopic_Weight	328.13107373
10041	Rotatable_Bond_Count	0
7392	Structure_Complexity	143
24750	Isotope_Atom_Count	0
51397976	TPSA	135
138005	Isotope_Atom_Count	0
91471800	TPSA	56.2
3034034	Hydrogen_Bond_Acceptor_Count	4
16217327	Molecular_Weight	171.41
130032075	XLogP3-AA	0.8
13052632	Hydrogen_Bond_Donor_Count	2
9561131	Non-hydrogen_Atom_Count	12
20890	Undefined_Bond_Stereo_Count	0
55250	Exact_Mass	376.14567842
141411141	Hydrogen_Bond_Acceptor_Count	2
58375	Exact_Mass	301.16779360
18999023	Hydrogen_Bond_Donor_Count	1
90352849	Defined_Atom_Stereo_Count	0
11601669	Exact_Mass	286.193280068
136060	Hydrogen_Bond_Acceptor_Count	0
9093	TPSA	18.5
87480477	Isotope_Atom_Count	0
71678916	Structure_Complexity	688
89484493	Undefined_Bond_Stereo_Count	0
3080935	Isotope_Atom_Count	0
6136	Defined_Bond_Stereo_Count	0
20035332	Undefined_Atom_Stereo_Count	0
5364711	Total_Formal_Charge	0
21356643	XLogP3-AA	0.4
93143	Defined_Bond_Stereo_Count	0
13556	Structure_Complexity	56.6
94330	Tautomer_Count	10
6432198	Mono_Isotopic_Weight	222.173213330
19606581	Total_Formal_Charge	0
57445155	Undefined_Atom_Stereo_Count	0
12698	Undefined_Bond_Stereo_Count	0
21159502	Undefined_Bond_Stereo_Count	0
22263119	Rotatable_Bond_Count	1
98627	Total_Formal_Charge	0
36821	Covalent_Unit_Count	1
7696	Total_Formal_Charge	0
16073659	Hydrogen_Bond_Donor_Count	0
1034	Structure_Complexity	146
5382104	Undefined_Atom_Stereo_Count	9
53960	Undefined_Bond_Stereo_Count	0
22082539	Non-hydrogen_Atom_Count	8
139054114	Non-hydrogen_Atom_Count	42
79834	Hydrogen_Bond_Donor_Count	1
135921797	Hydrogen_Bond_Donor_Count	7
73357703	XLogP3-AA	0.3
10071747	Rotatable_Bond_Count	7
825744	Molecular_Weight	338.4
3053755	Defined_Bond_Stereo_Count	0
12302681	Hydrogen_Bond_Acceptor_Count	11
145068	Hydrogen_Bond_Donor_Count	0
53323739	Hydrogen_Bond_Acceptor_Count	4
82148	Hydrogen_Bond_Acceptor_Count	2
136729	Defined_Atom_Stereo_Count	0
44565798	TPSA	100
45142026	Hydrogen_Bond_Donor_Count	2
92463	XLogP3-AA	2.1
57674785	Non-hydrogen_Atom_Count	8
519103	Total_Formal_Charge	0
83669980	Structure_Complexity	92.5
66700172	Mono_Isotopic_Weight	116.083729621
4320774	Undefined_Bond_Stereo_Count	0
5282546	Molecular_Weight	493.5
158076	Exact_Mass	293.1294900
79612800	XLogP3-AA	0.7
8138	XLogP3	4.2
123626564	Isotope_Atom_Count	0
295275	Mono_Isotopic_Weight	318.0771200
36131	Hydrogen_Bond_Acceptor_Count	2
71777654	Undefined_Bond_Stereo_Count	0
8993	Rotatable_Bond_Count	6
24561	Hydrogen_Bond_Donor_Count	0
8980	Structure_Complexity	211
62398693	Non-hydrogen_Atom_Count	7
1364	Structure_Complexity	624
67656913	Total_Formal_Charge	0
38012	Undefined_Atom_Stereo_Count	0
23255624	Defined_Atom_Stereo_Count	3
10282517	Defined_Atom_Stereo_Count	0
21326601	Covalent_Unit_Count	1
119096639	Covalent_Unit_Count	1
16204922	Structure_Complexity	508
13460228	Isotope_Atom_Count	0
1010	Mono_Isotopic_Weight	339.04676603
118855423	Structure_Complexity	726
95848	Undefined_Bond_Stereo_Count	0
6398764	Undefined_Atom_Stereo_Count	0
6561	Hydrogen_Bond_Acceptor_Count	1
41245	Mono_Isotopic_Weight	318.230728204
22617237	TPSA	81.5
2922	Molecular_Weight	523.6
3424274	Structure_Complexity	201
6951525	Undefined_Atom_Stereo_Count	0
71776101	Undefined_Bond_Stereo_Count	0
2296	XLogP3	4.2
44600	Hydrogen_Bond_Donor_Count	2
44308032	Non-hydrogen_Atom_Count	27
26618	Isotope_Atom_Count	0
6918457	XLogP3-AA	3.2
9402	Hydrogen_Bond_Donor_Count	1
68365445	Mono_Isotopic_Weight	112.027277375
25203400	Mono_Isotopic_Weight	136.112624451
27189	Hydrogen_Bond_Acceptor_Count	2
5459213	Defined_Atom_Stereo_Count	3
5353510	XLogP3	0
11808	Exact_Mass	257.97524
6937	Undefined_Bond_Stereo_Count	0
79535	TPSA	20.2
83322	Undefined_Bond_Stereo_Count	0
75477	Exact_Mass	230.15180918
65724	Total_Formal_Charge	0
815404	Undefined_Atom_Stereo_Count	0
135430996	Defined_Bond_Stereo_Count	0
122121	Tautomer_Count	1
59110799	Defined_Atom_Stereo_Count	0
7672	Defined_Atom_Stereo_Count	0
24972883	Defined_Bond_Stereo_Count	0
29084	Mono_Isotopic_Weight	220.08479225
137240	Hydrogen_Bond_Donor_Count	0
4865	Molecular_Weight	414.4
7265	Hydrogen_Bond_Acceptor_Count	2
6537489	Total_Formal_Charge	0
58097518	Hydrogen_Bond_Acceptor_Count	2
24812731	Exact_Mass	455.09679023
5280493	TPSA	242
53939339	TPSA	21.6
36209	Tautomer_Count	1
178024	Rotatable_Bond_Count	8
373077	Tautomer_Count	7
919205	Tautomer_Count	2
24883735	XLogP3-AA	3.6
23724819	Tautomer_Count	3
24721356	Structure_Complexity	2960
6450531	Undefined_Atom_Stereo_Count	0
118024074	Hydrogen_Bond_Donor_Count	2
760021	Exact_Mass	229.110278721
98150	Defined_Bond_Stereo_Count	0
34755	Structure_Complexity	527
13492441	Molecular_Weight	109.13
9446	Structure_Complexity	374
53784322	Defined_Atom_Stereo_Count	0
46893453	Covalent_Unit_Count	1
12231	Undefined_Bond_Stereo_Count	0
80152	XLogP3	3.2
23466227	Total_Formal_Charge	0
11954041	Non-hydrogen_Atom_Count	24
83818	Mono_Isotopic_Weight	417.1584211
21975	Covalent_Unit_Count	4
13977927	Exact_Mass	100.052429494
26440	Defined_Atom_Stereo_Count	0
60873	XLogP3-AA	3.6
448803	Hydrogen_Bond_Donor_Count	6
155292829	Hydrogen_Bond_Donor_Count	6
20713453	Structure_Complexity	118
35784	Defined_Atom_Stereo_Count	0
12263801	Defined_Bond_Stereo_Count	0
57572	Undefined_Bond_Stereo_Count	0
59184	Isotope_Atom_Count	0
5275508	Non-hydrogen_Atom_Count	18
11850983	Isotope_Atom_Count	0
37545	Structure_Complexity	31.2
80302	Defined_Bond_Stereo_Count	0
38093	Hydrogen_Bond_Donor_Count	3
104820	Exact_Mass	165.026060
23079483	XLogP3-AA	1.9
54051670	Undefined_Atom_Stereo_Count	0
71460852	Covalent_Unit_Count	1
14266	Hydrogen_Bond_Donor_Count	0
19223	Covalent_Unit_Count	1
22226235	Defined_Bond_Stereo_Count	0
50918929	Hydrogen_Bond_Donor_Count	0
8018	Structure_Complexity	16.4
11569	Defined_Atom_Stereo_Count	0
82479	TPSA	59.8
70023156	Structure_Complexity	140
10197656	Hydrogen_Bond_Acceptor_Count	3
138442	Defined_Bond_Stereo_Count	0
91231076	Rotatable_Bond_Count	0
71462102	Mono_Isotopic_Weight	478.1426128
60150535	Hydrogen_Bond_Acceptor_Count	6
42710	Total_Formal_Charge	0
10466948	TPSA	81.6
3872	Isotope_Atom_Count	0
15757501	Hydrogen_Bond_Donor_Count	0
74448	Covalent_Unit_Count	1
69317	XLogP3-AA	4.6
13015037	Undefined_Atom_Stereo_Count	0
129716995	Structure_Complexity	388
69935742	TPSA	52
9803119	Structure_Complexity	652
12387212	Defined_Bond_Stereo_Count	0
139254656	Hydrogen_Bond_Acceptor_Count	4
57265913	Molecular_Weight	112.17
8146	Undefined_Bond_Stereo_Count	0
56955280	XLogP3-AA	4.6
165105	TPSA	107
11213	Defined_Bond_Stereo_Count	0
100472	Total_Formal_Charge	0
118437609	Mono_Isotopic_Weight	115.063328530
146395	Covalent_Unit_Count	3
91667979	Isotope_Atom_Count	4
59295974	Mono_Isotopic_Weight	581.1154122
289149	Covalent_Unit_Count	1
53774272	Defined_Bond_Stereo_Count	0
441667	Exact_Mass	449.10838648
71713948	TPSA	101
6321405	Hydrogen_Bond_Donor_Count	1
57174031	Molecular_Weight	284.35
23674496	Covalent_Unit_Count	2
92546	Exact_Mass	224.07970687
32777	Non-hydrogen_Atom_Count	7
65776	Hydrogen_Bond_Acceptor_Count	3
15757501	Molecular_Weight	109.13
10351178	Hydrogen_Bond_Donor_Count	2
7327	Undefined_Atom_Stereo_Count	0
22614138	TPSA	0
20041	Defined_Bond_Stereo_Count	0
94343	Hydrogen_Bond_Donor_Count	0
15209694	Covalent_Unit_Count	1
156618042	Defined_Atom_Stereo_Count	10
10189783	Undefined_Atom_Stereo_Count	0
51402807	XLogP3-AA	0.4
14452005	Defined_Bond_Stereo_Count	0
162955682	Isotope_Atom_Count	0
135747285	Rotatable_Bond_Count	6
11210	XLogP3-AA	2.7
6428	Defined_Atom_Stereo_Count	0
11477180	Mono_Isotopic_Weight	480.1483669
900090	Structure_Complexity	355
211468	Hydrogen_Bond_Donor_Count	0
18698713	Molecular_Weight	100.12
5790	Hydrogen_Bond_Donor_Count	3
123662875	Covalent_Unit_Count	1
14597941	TPSA	18.5
70400	Hydrogen_Bond_Donor_Count	0
57551933	Mono_Isotopic_Weight	114.104465066
135431094	Defined_Bond_Stereo_Count	3
52361	Undefined_Atom_Stereo_Count	1
129722163	Defined_Atom_Stereo_Count	0
443404	Tautomer_Count	3
54584775	Hydrogen_Bond_Donor_Count	1
5912039	Defined_Bond_Stereo_Count	1
74068	TPSA	50.1
11476467	TPSA	122
26111	XLogP3-AA	8
1960	Hydrogen_Bond_Acceptor_Count	4
45794	TPSA	20.2
70848	Molecular_Weight	233.27
49057	Defined_Atom_Stereo_Count	0
21517	Molecular_Weight	469.7
2775316	Hydrogen_Bond_Donor_Count	0
54758307	Molecular_Weight	458.6
17563	Tautomer_Count	2
46231556	Covalent_Unit_Count	1
10963	Structure_Complexity	51.2
148573599	Molecular_Weight	106.16
1175	Mono_Isotopic_Weight	168.02834000
6440	Defined_Atom_Stereo_Count	0
11294	Structure_Complexity	516
11550005	Isotope_Atom_Count	0
200734	Mono_Isotopic_Weight	118.099379685
63503	TPSA	48.4
72199381	Defined_Bond_Stereo_Count	0
8078	Exact_Mass	84.093900383
3714831	Total_Formal_Charge	0
456190	Isotope_Atom_Count	0
66261	Total_Formal_Charge	0
42645244	Non-hydrogen_Atom_Count	35
128605	Isotope_Atom_Count	0
59172784	Non-hydrogen_Atom_Count	7
14988402	Mono_Isotopic_Weight	99.104799419
3036261	Hydrogen_Bond_Donor_Count	4
6761	Undefined_Atom_Stereo_Count	0
39018	Defined_Atom_Stereo_Count	0
9865223	Rotatable_Bond_Count	4
3088	Hydrogen_Bond_Donor_Count	1
46877881	Mono_Isotopic_Weight	813.42859314
53326156	Defined_Bond_Stereo_Count	0
34533	Structure_Complexity	255
5287620	Total_Formal_Charge	0
404289	Non-hydrogen_Atom_Count	23
115089	Defined_Bond_Stereo_Count	0
13351	Hydrogen_Bond_Acceptor_Count	4
67249135	XLogP3-AA	4.8
674754	Exact_Mass	314.05725734
25961	Rotatable_Bond_Count	6
97041723	Mono_Isotopic_Weight	790.22615588
173730	Hydrogen_Bond_Acceptor_Count	5
150718	Defined_Atom_Stereo_Count	0
23992	Undefined_Atom_Stereo_Count	0
79004	Defined_Bond_Stereo_Count	0
55624	Total_Formal_Charge	0
182137	XLogP3	2.2
56955285	Isotope_Atom_Count	0
5814	TPSA	86.7
42602351	Rotatable_Bond_Count	6
10051341	Isotope_Atom_Count	0
6837	Isotope_Atom_Count	0
13150526	Hydrogen_Bond_Donor_Count	1
410875	XLogP3-AA	3.5
24779724	Structure_Complexity	494
22833295	TPSA	149
60196338	Mono_Isotopic_Weight	935.47259372
81056	Exact_Mass	152.0141259
70949	Non-hydrogen_Atom_Count	10
529278	Hydrogen_Bond_Donor_Count	0
21688635	Total_Formal_Charge	0
118797621	Rotatable_Bond_Count	1
102093221	Undefined_Atom_Stereo_Count	0
4146595	Undefined_Bond_Stereo_Count	0
12096	Total_Formal_Charge	0
7551	Covalent_Unit_Count	1
76922	Isotope_Atom_Count	0
83904774	Total_Formal_Charge	0
23270069	Covalent_Unit_Count	1
3792	TPSA	60
74183	Total_Formal_Charge	0
168924	Isotope_Atom_Count	0
52021	Exact_Mass	409.2172423
83095	Non-hydrogen_Atom_Count	10
21185399	Structure_Complexity	72.5
11829354	Non-hydrogen_Atom_Count	6
8073	Hydrogen_Bond_Donor_Count	0
39131	Mono_Isotopic_Weight	218.141913202
34633	Exact_Mass	427.15657746
69190	Non-hydrogen_Atom_Count	12
22833294	Molecular_Weight	377.3
119119	Undefined_Bond_Stereo_Count	0
2576591	Total_Formal_Charge	0
129630227	Mono_Isotopic_Weight	7340.9926854
71950363	Hydrogen_Bond_Acceptor_Count	3
6604200	Non-hydrogen_Atom_Count	17
54712148	Undefined_Atom_Stereo_Count	0
24848325	Defined_Bond_Stereo_Count	0
68723	TPSA	57.7
2042	Isotope_Atom_Count	0
14783	Hydrogen_Bond_Acceptor_Count	1
219990	Undefined_Atom_Stereo_Count	0
51371732	Structure_Complexity	451
6435808	Rotatable_Bond_Count	2
156432753	Defined_Bond_Stereo_Count	0
15293	Undefined_Atom_Stereo_Count	0
5366149	Undefined_Bond_Stereo_Count	0
11655511	Undefined_Atom_Stereo_Count	0
528603	Undefined_Bond_Stereo_Count	0
19754146	Undefined_Bond_Stereo_Count	0
705856	Undefined_Atom_Stereo_Count	0
76415	Isotope_Atom_Count	0
121444434	Molecular_Weight	109.17
14529	TPSA	20.2
4883	Isotope_Atom_Count	0
21908	Structure_Complexity	310
5487313	Undefined_Bond_Stereo_Count	0
47576	XLogP3	4.3
133520	Rotatable_Bond_Count	1
3007744	Undefined_Atom_Stereo_Count	0
71555	Defined_Atom_Stereo_Count	0
161094262	Structure_Complexity	15.5
49866025	Hydrogen_Bond_Acceptor_Count	3
236115	Defined_Bond_Stereo_Count	0
7619	Non-hydrogen_Atom_Count	16
39095	Exact_Mass	321.0767857
118701718	TPSA	46.5
13532837	Isotope_Atom_Count	0
17807203	Total_Formal_Charge	0
330740	Hydrogen_Bond_Donor_Count	4
11607904	Undefined_Atom_Stereo_Count	0
6327799	Non-hydrogen_Atom_Count	40
44338970	Molecular_Weight	485.6
11241863	Undefined_Bond_Stereo_Count	0
96273	Defined_Atom_Stereo_Count	0
7020128	Defined_Atom_Stereo_Count	1
6995013	Rotatable_Bond_Count	6
16049024	Rotatable_Bond_Count	13
24865999	Isotope_Atom_Count	0
16324	Total_Formal_Charge	0
129629392	Total_Formal_Charge	0
83909	XLogP3	3
23680518	Structure_Complexity	957
17912	Tautomer_Count	3
96299	Hydrogen_Bond_Donor_Count	2
5942099	Exact_Mass	306.13280507
10299410	Defined_Bond_Stereo_Count	0
22833326	Isotope_Atom_Count	0
627458	Undefined_Atom_Stereo_Count	0
10444413	XLogP3	3.2
89217	Isotope_Atom_Count	0
850501	Non-hydrogen_Atom_Count	25
447569	Defined_Atom_Stereo_Count	2
86287524	Rotatable_Bond_Count	0
10429215	Hydrogen_Bond_Acceptor_Count	4
258383	Defined_Bond_Stereo_Count	0
90066559	Exact_Mass	100.100048391
10614	Structure_Complexity	196
16718576	Defined_Bond_Stereo_Count	0
33184	Hydrogen_Bond_Acceptor_Count	2
646135	Hydrogen_Bond_Donor_Count	2
67736	Tautomer_Count	1
67532	Tautomer_Count	2
31116	Tautomer_Count	8
130037140	Covalent_Unit_Count	1
10197660	Undefined_Atom_Stereo_Count	2
15652148	Molecular_Weight	125.13
521207	Isotope_Atom_Count	0
45285	Rotatable_Bond_Count	11
23555879	Exact_Mass	99.068413911
21303152	Covalent_Unit_Count	1
56438	Hydrogen_Bond_Acceptor_Count	4
41892	Hydrogen_Bond_Donor_Count	1
537037	Non-hydrogen_Atom_Count	39
54580767	Defined_Bond_Stereo_Count	0
266052	Defined_Atom_Stereo_Count	0
46783795	Mono_Isotopic_Weight	514.22028266
9380	Total_Formal_Charge	0
62238	Exact_Mass	512.55323154
8797	Hydrogen_Bond_Donor_Count	0
5147	Total_Formal_Charge	0
132804	Isotope_Atom_Count	0
413520	TPSA	3.9
524217	Undefined_Bond_Stereo_Count	0
547696	Non-hydrogen_Atom_Count	7
67569543	Covalent_Unit_Count	1
9162	XLogP3	7
53773588	Isotope_Atom_Count	0
101821629	Hydrogen_Bond_Donor_Count	0
6918332	Hydrogen_Bond_Donor_Count	5
6477182	Molecular_Weight	396.4
59999797	Hydrogen_Bond_Acceptor_Count	1
135492976	Covalent_Unit_Count	1
85614476	Defined_Atom_Stereo_Count	0
146558401	Rotatable_Bond_Count	2
67619	Molecular_Weight	206.06
10877064	Covalent_Unit_Count	1
14116441	Undefined_Atom_Stereo_Count	0
1046	Rotatable_Bond_Count	1
101306917	Hydrogen_Bond_Acceptor_Count	4
3073200	Structure_Complexity	421
801132	Molecular_Weight	331.4
248333	Structure_Complexity	158
5359563	Structure_Complexity	282
83478498	Structure_Complexity	84.1
7454	Defined_Atom_Stereo_Count	0
130443287	Hydrogen_Bond_Donor_Count	5
124037382	Structure_Complexity	19100
123316507	Molecular_Weight	1202.6
102594	Non-hydrogen_Atom_Count	7
2812075	Rotatable_Bond_Count	4
158432	Exact_Mass	313.03348495
2736567	Mono_Isotopic_Weight	113.047678466
119418	Undefined_Atom_Stereo_Count	0
5922	Structure_Complexity	108
131673820	Defined_Atom_Stereo_Count	12
54341391	Exact_Mass	94.078250319
16129759	Undefined_Bond_Stereo_Count	0
66323	Undefined_Bond_Stereo_Count	0
45085047	Hydrogen_Bond_Acceptor_Count	3
52038	Molecular_Weight	225.31
72385	Molecular_Weight	616.8
13582607	Isotope_Atom_Count	0
20055283	Structure_Complexity	1780
17950293	Mono_Isotopic_Weight	102.0469501914
3220	Molecular_Weight	270.24
16051955	Rotatable_Bond_Count	13
163957061	Defined_Atom_Stereo_Count	0
92043424	Undefined_Atom_Stereo_Count	21
160312	Total_Formal_Charge	0
25099474	Molecular_Weight	361.4
442501	Tautomer_Count	1
2355	Non-hydrogen_Atom_Count	16
65309	TPSA	157
371715	Rotatable_Bond_Count	1
130905498	Undefined_Bond_Stereo_Count	0
643327	TPSA	57.5
59777381	Non-hydrogen_Atom_Count	8
26868	Molecular_Weight	535.5
22058225	Mono_Isotopic_Weight	438.14607235
3068840	Defined_Bond_Stereo_Count	0
33938	Undefined_Atom_Stereo_Count	0
33802	TPSA	0
2724192	Tautomer_Count	1
21803156	Rotatable_Bond_Count	1
54585032	Mono_Isotopic_Weight	211.063328530
521459	Mono_Isotopic_Weight	49.0078250319
2712	Non-hydrogen_Atom_Count	21
18510	Mono_Isotopic_Weight	226.193280068
60196360	Mono_Isotopic_Weight	844.38573014
66171	Rotatable_Bond_Count	1
139444	Undefined_Atom_Stereo_Count	4
5326160	Structure_Complexity	27
424893	TPSA	128
4344	Molecular_Weight	105.16
13751	Defined_Atom_Stereo_Count	0
3714053	TPSA	54.8
16224456	Isotope_Atom_Count	0
3086674	Undefined_Bond_Stereo_Count	0
6999977	Undefined_Atom_Stereo_Count	0
4219136	Defined_Bond_Stereo_Count	0
19738210	Hydrogen_Bond_Donor_Count	1
6452481	Hydrogen_Bond_Acceptor_Count	2
13772685	Non-hydrogen_Atom_Count	11
11559	XLogP3-AA	0.6
62477	Covalent_Unit_Count	1
52885	Hydrogen_Bond_Acceptor_Count	3
40826	Undefined_Atom_Stereo_Count	1
933	Undefined_Bond_Stereo_Count	0
441344	Undefined_Bond_Stereo_Count	0
136305444	TPSA	41.8
7958	TPSA	17.1
23480	Defined_Atom_Stereo_Count	0
70692035	Hydrogen_Bond_Donor_Count	1
30175	Isotope_Atom_Count	0
210320	Structure_Complexity	448
6588	XLogP3-AA	3.6
12452021	Total_Formal_Charge	0
38464	Mono_Isotopic_Weight	265.1000197
65953	Undefined_Bond_Stereo_Count	0
15267570	Total_Formal_Charge	0
54742	Defined_Atom_Stereo_Count	0
5092	Structure_Complexity	341
3973230	Defined_Bond_Stereo_Count	0
76592	Total_Formal_Charge	0
10931404	Undefined_Atom_Stereo_Count	0
60396	Rotatable_Bond_Count	2
62553	Total_Formal_Charge	0
13758360	Exact_Mass	112.100048391
3736	Non-hydrogen_Atom_Count	32
10197660	Structure_Complexity	139
147336409	Hydrogen_Bond_Acceptor_Count	0
11768503	Total_Formal_Charge	0
150994	Structure_Complexity	183
2759	XLogP3-AA	1.5
16599	Non-hydrogen_Atom_Count	33
2883	Hydrogen_Bond_Donor_Count	0
69335004	Defined_Bond_Stereo_Count	0
72712745	Covalent_Unit_Count	1
90297	Defined_Atom_Stereo_Count	0
43057	Total_Formal_Charge	0
21804	Isotope_Atom_Count	0
62412	Isotope_Atom_Count	0
135473834	Hydrogen_Bond_Acceptor_Count	10
64819	Non-hydrogen_Atom_Count	85
5702073	Undefined_Atom_Stereo_Count	2
8345	TPSA	71.1
664126	Molecular_Weight	323.5
31863	Total_Formal_Charge	0
105104	Defined_Atom_Stereo_Count	3
64740	Exact_Mass	404.1117066
6702	Mono_Isotopic_Weight	237.078978594
13378766	Molecular_Weight	101.10
57079767	Total_Formal_Charge	0
6484	Undefined_Atom_Stereo_Count	0
135442941	Covalent_Unit_Count	2
10945834	Mono_Isotopic_Weight	280.13107373
27952	Undefined_Atom_Stereo_Count	0
49865859	Isotope_Atom_Count	0
135121698	Structure_Complexity	258
24131	Mono_Isotopic_Weight	304.03315060
65726	Covalent_Unit_Count	1
12286866	XLogP3-AA	0.8
5005498	Defined_Bond_Stereo_Count	0
76692	Covalent_Unit_Count	1
15565412	Undefined_Bond_Stereo_Count	0
314787	Undefined_Atom_Stereo_Count	0
17279	Defined_Atom_Stereo_Count	0
5289205	Defined_Atom_Stereo_Count	5
57109318	Defined_Atom_Stereo_Count	0
11673921	Covalent_Unit_Count	1
650625	Molecular_Weight	268.24
15295	Undefined_Bond_Stereo_Count	0
54682463	Covalent_Unit_Count	1
162908	Defined_Bond_Stereo_Count	0
419490	Exact_Mass	125.047678466
75184787	Exact_Mass	412.15691181
1742210	Mono_Isotopic_Weight	220.182715385
6112	Undefined_Bond_Stereo_Count	0
141201	Hydrogen_Bond_Donor_Count	0
10333641	Mono_Isotopic_Weight	275.93957
10857507	Hydrogen_Bond_Donor_Count	6
12596780	Covalent_Unit_Count	1
246	Total_Formal_Charge	0
44560806	Molecular_Weight	348.4
79095	Rotatable_Bond_Count	1
100308	Molecular_Weight	338.98
21879756	Undefined_Bond_Stereo_Count	0
91668	Defined_Atom_Stereo_Count	6
53480934	Hydrogen_Bond_Acceptor_Count	8
130443288	Structure_Complexity	2330
23328892	Non-hydrogen_Atom_Count	8
5625	Defined_Bond_Stereo_Count	0
10101269	Mono_Isotopic_Weight	703.87857
49862578	Undefined_Atom_Stereo_Count	1
12656856	Total_Formal_Charge	0
1141	Tautomer_Count	1
8222	Undefined_Atom_Stereo_Count	0
6915732	Mono_Isotopic_Weight	179.07937252
309	Defined_Atom_Stereo_Count	0
694634	Undefined_Atom_Stereo_Count	0
52660	Undefined_Atom_Stereo_Count	3
882533	Hydrogen_Bond_Donor_Count	0
24883735	Mono_Isotopic_Weight	408.28757437
5380976	Undefined_Bond_Stereo_Count	0
118253852	Total_Formal_Charge	0
34549	Tautomer_Count	2
95187	Hydrogen_Bond_Acceptor_Count	4
2734040	Molecular_Weight	377.2
10677836	XLogP3-AA	7.5
24916942	Exact_Mass	654.27615838
136790	TPSA	0
4922	Isotope_Atom_Count	0
66837179	Exact_Mass	118.062994177
151275184	Undefined_Atom_Stereo_Count	2
84945	Hydrogen_Bond_Donor_Count	0
190550	Isotope_Atom_Count	0
18955264	Hydrogen_Bond_Acceptor_Count	2
74031	Non-hydrogen_Atom_Count	12
11568	Structure_Complexity	74.9
9801640	Rotatable_Bond_Count	6
283637	Molecular_Weight	110.15
11804674	TPSA	17.1
12305	Non-hydrogen_Atom_Count	7
347590	Mono_Isotopic_Weight	180.07211956
44134800	Covalent_Unit_Count	5
10308	TPSA	12
58970	Defined_Atom_Stereo_Count	0
126994353	Isotope_Atom_Count	0
139591683	Total_Formal_Charge	0
42519	Total_Formal_Charge	0
139070837	Undefined_Atom_Stereo_Count	0
33793	TPSA	40.5
471360	Mono_Isotopic_Weight	185.10519334
74506	Tautomer_Count	1
6603836	XLogP3-AA	7.6
24802163	Defined_Atom_Stereo_Count	3
4913256	Isotope_Atom_Count	0
56598471	Molecular_Weight	406.4
45116616	Hydrogen_Bond_Acceptor_Count	2
3806	TPSA	54.4
39727	Hydrogen_Bond_Acceptor_Count	2
77082	Covalent_Unit_Count	2
2958	Tautomer_Count	54
9892815	Undefined_Atom_Stereo_Count	0
12856218	TPSA	135
57156265	Structure_Complexity	147
675901	Rotatable_Bond_Count	3
54759	Covalent_Unit_Count	2
5361848	Molecular_Weight	383.4
20392754	Defined_Bond_Stereo_Count	0
12171	Tautomer_Count	1
23430	Non-hydrogen_Atom_Count	32
66016	XLogP3-AA	1.3
124426476	Defined_Atom_Stereo_Count	8
6950199	Rotatable_Bond_Count	2
10061651	Total_Formal_Charge	0
5283134	Molecular_Weight	625.8
73277	Hydrogen_Bond_Donor_Count	0
71751937	TPSA	45.6
129716995	Non-hydrogen_Atom_Count	26
123542114	Mono_Isotopic_Weight	99.068413911
543112	Total_Formal_Charge	0
124769752	Hydrogen_Bond_Donor_Count	1
424747	Molecular_Weight	298.4
636523	Total_Formal_Charge	0
71273	Exact_Mass	274.204513457
15741634	Molecular_Weight	101.19
22505043	Mono_Isotopic_Weight	99.068413911
11693896	Rotatable_Bond_Count	1
11062545	Non-hydrogen_Atom_Count	8
87870846	Molecular_Weight	113.11
43976	TPSA	67
5284513	Mono_Isotopic_Weight	326.18819469
6436138	Structure_Complexity	499
88728889	TPSA	58.7
175967	Isotope_Atom_Count	0
32226	Hydrogen_Bond_Donor_Count	0
23978	Tautomer_Count	9
2537	Hydrogen_Bond_Acceptor_Count	1
99143	Undefined_Atom_Stereo_Count	0
23090352	Defined_Bond_Stereo_Count	0
16996	Total_Formal_Charge	0
59464331	Molecular_Weight	438.5
13848133	Structure_Complexity	72.1
14027412	Molecular_Weight	113.16
11263492	XLogP3-AA	2.2
24635	Hydrogen_Bond_Acceptor_Count	2
101033892	Undefined_Bond_Stereo_Count	0
14646171	Undefined_Atom_Stereo_Count	1
21417010	Non-hydrogen_Atom_Count	8
77781	Structure_Complexity	152
8425	Hydrogen_Bond_Acceptor_Count	1
29373	TPSA	37.3
961335	Hydrogen_Bond_Acceptor_Count	3
8408	Defined_Bond_Stereo_Count	0
12957	Defined_Bond_Stereo_Count	0
129627812	Defined_Bond_Stereo_Count	0
14294923	Non-hydrogen_Atom_Count	8
65902	XLogP3-AA	3.4
80085	Defined_Atom_Stereo_Count	0
5368784	Mono_Isotopic_Weight	204.187800766
135409347	Hydrogen_Bond_Acceptor_Count	6
46782912	TPSA	62.3
41438	Hydrogen_Bond_Acceptor_Count	8
14195	Defined_Bond_Stereo_Count	0
17764882	Molecular_Weight	116.12
95609	Undefined_Atom_Stereo_Count	1
13078198	Molecular_Weight	111.14
49007	Defined_Atom_Stereo_Count	0
12685	Non-hydrogen_Atom_Count	9
90695524	TPSA	0
5464084	Tautomer_Count	1
54171635	Undefined_Atom_Stereo_Count	1
96160	Defined_Bond_Stereo_Count	0
6669	Mono_Isotopic_Weight	294.12157168
235738	Hydrogen_Bond_Acceptor_Count	3
22416599	Rotatable_Bond_Count	0
133562785	TPSA	662
11632113	Hydrogen_Bond_Acceptor_Count	7
7456	Defined_Atom_Stereo_Count	0
3817	Structure_Complexity	940
6421522	Total_Formal_Charge	0
71773445	XLogP3	0.3
118499237	TPSA	43.4
74652199	TPSA	55.3
53316382	Covalent_Unit_Count	1
20255128	Hydrogen_Bond_Acceptor_Count	1
84788	Total_Formal_Charge	0
18372143	Structure_Complexity	109
42051894	Defined_Bond_Stereo_Count	0
57370509	XLogP3-AA	18.3
10022229	Defined_Bond_Stereo_Count	0
267769	Hydrogen_Bond_Acceptor_Count	3
21789	Rotatable_Bond_Count	1
57392503	Hydrogen_Bond_Donor_Count	3
12434155	Rotatable_Bond_Count	1
54517091	Exact_Mass	94.078250319
4978	TPSA	176
24986999	Non-hydrogen_Atom_Count	68
14258	Non-hydrogen_Atom_Count	19
15983287	Undefined_Atom_Stereo_Count	1
21185116	Non-hydrogen_Atom_Count	7
9596	Rotatable_Bond_Count	2
133562634	Isotope_Atom_Count	0
2735172	Rotatable_Bond_Count	0
134717663	Hydrogen_Bond_Acceptor_Count	16
145454	Mono_Isotopic_Weight	215.09799996
465951	Exact_Mass	353.12094084
9860424	Defined_Bond_Stereo_Count	0
9984487	Total_Formal_Charge	0
13296868	Rotatable_Bond_Count	4
19432668	Rotatable_Bond_Count	2
5284613	Mono_Isotopic_Weight	530.28796829
12291486	Hydrogen_Bond_Donor_Count	0
5274271	Isotope_Atom_Count	0
11947765	Hydrogen_Bond_Acceptor_Count	5
55255930	TPSA	12
10291131	Exact_Mass	343.11956635
22878123	Total_Formal_Charge	0
20188397	Structure_Complexity	101
1781	Hydrogen_Bond_Acceptor_Count	2
99894	Molecular_Weight	103.12
10258	Tautomer_Count	5
3179255	XLogP3-AA	3.7
4369233	Covalent_Unit_Count	1
25271790	Rotatable_Bond_Count	7
5284604	TPSA	70
56678999	Isotope_Atom_Count	0
11370864	Mono_Isotopic_Weight	327.1156697
11986122	Mono_Isotopic_Weight	230.003015
10814237	Tautomer_Count	1
69537	Isotope_Atom_Count	0
7842	Rotatable_Bond_Count	0
24845095	Mono_Isotopic_Weight	337.1193192
71316600	Isotope_Atom_Count	0
131254	Rotatable_Bond_Count	11
20727	Undefined_Atom_Stereo_Count	0
13922	Defined_Bond_Stereo_Count	0
2734122	Rotatable_Bond_Count	3
101008927	Non-hydrogen_Atom_Count	20
22644568	Undefined_Atom_Stereo_Count	0
5417	Hydrogen_Bond_Donor_Count	0
70688017	Defined_Atom_Stereo_Count	0
16726630	Defined_Atom_Stereo_Count	0
22697	Defined_Atom_Stereo_Count	0
15083770	Isotope_Atom_Count	0
129664186	Hydrogen_Bond_Donor_Count	0
18316	Molecular_Weight	254.41
3938007	Mono_Isotopic_Weight	257.17662169
165971	Total_Formal_Charge	0
53851	Exact_Mass	317.235479232
186068	Covalent_Unit_Count	1
12551755	Covalent_Unit_Count	1
159871	TPSA	83.6
7165	Rotatable_Bond_Count	3
509554	XLogP3-AA	4.7
57392503	Molecular_Weight	403.6
72064	XLogP3-AA	3.5
13795010	Rotatable_Bond_Count	1
8211	Molecular_Weight	241.46
12508473	Rotatable_Bond_Count	1
87612217	Undefined_Bond_Stereo_Count	0
13930075	Undefined_Atom_Stereo_Count	2
6918286	Non-hydrogen_Atom_Count	26
11245456	Hydrogen_Bond_Donor_Count	1
17253	Structure_Complexity	427
57398391	Molecular_Weight	324.4
101059324	Defined_Atom_Stereo_Count	0
16722125	Rotatable_Bond_Count	7
12731218	Hydrogen_Bond_Acceptor_Count	1
53910819	Undefined_Bond_Stereo_Count	1
59281	Defined_Bond_Stereo_Count	0
77080	Covalent_Unit_Count	1
21579051	Undefined_Bond_Stereo_Count	0
17931	XLogP3	3.6
6447131	Hydrogen_Bond_Donor_Count	2
13573329	Undefined_Atom_Stereo_Count	2
509864	Structure_Complexity	554
4506	Undefined_Bond_Stereo_Count	0
136662680	Total_Formal_Charge	0
17613	Exact_Mass	150.0811428
24090	Hydrogen_Bond_Donor_Count	0
3083585	Mono_Isotopic_Weight	176.047344113
13220194	TPSA	83.8
131801164	Molecular_Weight	453.6
101875160	TPSA	32.3
448165	Exact_Mass	342.11621151
69294796	Isotope_Atom_Count	0
120095	TPSA	20.2
129778798	Non-hydrogen_Atom_Count	8
142912303	Hydrogen_Bond_Acceptor_Count	2
45157716	Hydrogen_Bond_Acceptor_Count	8
73049652	Mono_Isotopic_Weight	958.10256
101658	Rotatable_Bond_Count	2
77445309	Mono_Isotopic_Weight	114.104465066
24978601	Molecular_Weight	624.6
16683093	Mono_Isotopic_Weight	1055.93579
255680	Exact_Mass	191.058243149
13463247	Defined_Atom_Stereo_Count	0
10028830	Exact_Mass	497.19844227
119584	Defined_Bond_Stereo_Count	0
130145407	Molecular_Weight	110.15
129651417	Exact_Mass	163.0188769
14178853	Non-hydrogen_Atom_Count	30
12572502	Undefined_Bond_Stereo_Count	0
46882191	XLogP3-AA	3.7
71533242	Mono_Isotopic_Weight	466.14751164
12654270	Defined_Bond_Stereo_Count	0
1308	Undefined_Bond_Stereo_Count	0
81045	Undefined_Bond_Stereo_Count	0
98053103	Defined_Atom_Stereo_Count	3
453077	Structure_Complexity	247
54046888	Rotatable_Bond_Count	3
2734940	Hydrogen_Bond_Acceptor_Count	0
547935	Mono_Isotopic_Weight	117.078978594
398652	Exact_Mass	429.16885622
294864	Hydrogen_Bond_Acceptor_Count	3
90486	Non-hydrogen_Atom_Count	16
90019226	Molecular_Weight	103.12
18383	Undefined_Bond_Stereo_Count	0
85238	TPSA	24.1
36190	Hydrogen_Bond_Donor_Count	0
70693263	Undefined_Atom_Stereo_Count	0
71312335	Rotatable_Bond_Count	11
44412343	Defined_Bond_Stereo_Count	0
78431	Exact_Mass	239.09799996
3496	Rotatable_Bond_Count	4
10149453	TPSA	107
544613	Structure_Complexity	98.7
23433606	Exact_Mass	218.084398327
73852	Non-hydrogen_Atom_Count	17
139062656	Undefined_Atom_Stereo_Count	0
25245437	Structure_Complexity	1280
139079484	Non-hydrogen_Atom_Count	40
20607721	Structure_Complexity	96.6
130124661	Structure_Complexity	79.3
122980	Defined_Atom_Stereo_Count	0
5281912	Non-hydrogen_Atom_Count	24
13316167	Undefined_Bond_Stereo_Count	0
59392388	Undefined_Atom_Stereo_Count	0
6451143	Non-hydrogen_Atom_Count	13
53806072	Undefined_Bond_Stereo_Count	0
10249057	Isotope_Atom_Count	0
56677275	TPSA	100
20486748	Exact_Mass	85.027611728
46936613	Covalent_Unit_Count	1
65659	XLogP3-AA	1.8
37250	Hydrogen_Bond_Donor_Count	0
57825223	Undefined_Bond_Stereo_Count	0
44571098	Non-hydrogen_Atom_Count	32
6324	Undefined_Bond_Stereo_Count	0
807	TPSA	0
92626	Hydrogen_Bond_Donor_Count	1
135410916	Hydrogen_Bond_Donor_Count	1
165295	Defined_Bond_Stereo_Count	0
8011	Exact_Mass	71.037113783
55652	Rotatable_Bond_Count	4
656954	XLogP3-AA	3.6
219023	Hydrogen_Bond_Donor_Count	1
3017	Hydrogen_Bond_Acceptor_Count	6
56842993	Total_Formal_Charge	0
18787571	Total_Formal_Charge	0
75786	Rotatable_Bond_Count	4
8194	Total_Formal_Charge	0
667639	Defined_Bond_Stereo_Count	1
21885	XLogP3	1.6
21873177	Total_Formal_Charge	0
6677	Structure_Complexity	818
76258	Tautomer_Count	1
11222822	Rotatable_Bond_Count	4
13007516	Rotatable_Bond_Count	1
20821286	Hydrogen_Bond_Donor_Count	0
170327	TPSA	28.2
42602095	Undefined_Bond_Stereo_Count	0
376	Undefined_Bond_Stereo_Count	0
9840857	Total_Formal_Charge	0
23181	Isotope_Atom_Count	0
145679260	Total_Formal_Charge	0
25078013	Defined_Atom_Stereo_Count	0
114789	XLogP3-AA	0.6
23667546	Defined_Atom_Stereo_Count	3
49865973	Undefined_Atom_Stereo_Count	0
17864	Molecular_Weight	152.03
122198140	Undefined_Bond_Stereo_Count	0
14385	Undefined_Atom_Stereo_Count	0
11193251	Defined_Atom_Stereo_Count	0
57514685	Hydrogen_Bond_Donor_Count	4
91933845	Hydrogen_Bond_Acceptor_Count	7
90996	Structure_Complexity	316
13034936	Hydrogen_Bond_Donor_Count	1
68835	Hydrogen_Bond_Acceptor_Count	3
71583043	Hydrogen_Bond_Acceptor_Count	6
46693	Defined_Atom_Stereo_Count	0
3541	Structure_Complexity	570
5053	Structure_Complexity	497
10276962	Structure_Complexity	531
3356829	Total_Formal_Charge	0
102891	Structure_Complexity	388
5464167	Structure_Complexity	27.1
9877346	Molecular_Weight	100.12
59107469	Molecular_Weight	113.20
96826	TPSA	17.1
642799	Mono_Isotopic_Weight	170.96836
551493	Total_Formal_Charge	0
22448	TPSA	45.8
24751	Non-hydrogen_Atom_Count	7
64778	Undefined_Atom_Stereo_Count	0
89335	Non-hydrogen_Atom_Count	14
182139	Tautomer_Count	1
25058186	Defined_Bond_Stereo_Count	0
398635	Mono_Isotopic_Weight	361.0730377
91272	Covalent_Unit_Count	1
24901285	TPSA	119
69088	Exact_Mass	159.068413911
94926	XLogP3-AA	3
9776841	Isotope_Atom_Count	0
91469	Total_Formal_Charge	0
84647662	Defined_Atom_Stereo_Count	0
6450806	TPSA	69.5
67050751	Structure_Complexity	70.1
25114553	Defined_Bond_Stereo_Count	0
146157396	Rotatable_Bond_Count	17
71309905	Covalent_Unit_Count	1
17074	Mono_Isotopic_Weight	157.945683
862	Hydrogen_Bond_Acceptor_Count	23
975767	Rotatable_Bond_Count	4
84598	Exact_Mass	815.4704
637927	Isotope_Atom_Count	0
45259044	Non-hydrogen_Atom_Count	36
65105	XLogP3-AA	0.9
328561	Rotatable_Bond_Count	1
6914152	Molecular_Weight	448.4
699571	Non-hydrogen_Atom_Count	17
1549073	Defined_Bond_Stereo_Count	0
529287	Defined_Bond_Stereo_Count	0
9918381	Defined_Atom_Stereo_Count	0
23540330	Hydrogen_Bond_Acceptor_Count	2
627458	Hydrogen_Bond_Acceptor_Count	2
4915	Structure_Complexity	210
12978170	Hydrogen_Bond_Acceptor_Count	0
4730	Undefined_Atom_Stereo_Count	3
9954944	Hydrogen_Bond_Acceptor_Count	11
6539020	Hydrogen_Bond_Donor_Count	1
15628	Undefined_Bond_Stereo_Count	0
24848177	Defined_Atom_Stereo_Count	0
165542	Total_Formal_Charge	0
71624580	XLogP3-AA	1.7
3589	Rotatable_Bond_Count	0
942	Isotope_Atom_Count	0
136146352	Covalent_Unit_Count	8
14523627	Non-hydrogen_Atom_Count	28
60183	Total_Formal_Charge	0
11460	Covalent_Unit_Count	1
21490219	Mono_Isotopic_Weight	101.084063974
5281127	Hydrogen_Bond_Donor_Count	1
148475193	Exact_Mass	101.084063974
63116	Mono_Isotopic_Weight	280.121177757
135446965	Defined_Bond_Stereo_Count	0
2734237	Defined_Atom_Stereo_Count	0
10855383	Undefined_Atom_Stereo_Count	0
13587	TPSA	13.1
601293	Hydrogen_Bond_Acceptor_Count	2
522041	Covalent_Unit_Count	1
20388	Structure_Complexity	585
7897	Exact_Mass	88.052429494
60148392	Non-hydrogen_Atom_Count	27
90643	Rotatable_Bond_Count	0
11142	TPSA	0
10453870	Undefined_Atom_Stereo_Count	0
54685920	Tautomer_Count	420
45138674	Non-hydrogen_Atom_Count	41
4938	Isotope_Atom_Count	0
58270050	Undefined_Bond_Stereo_Count	0
21659832	Molecular_Weight	117.10
79441	Total_Formal_Charge	0
54610537	Hydrogen_Bond_Acceptor_Count	4
16212118	Exact_Mass	320.20999276
8870	Structure_Complexity	46.1
57066209	Undefined_Atom_Stereo_Count	0
12888377	Mono_Isotopic_Weight	109.063997236
134085	Undefined_Atom_Stereo_Count	1
4205037	Mono_Isotopic_Weight	293.17865558
126505488	Hydrogen_Bond_Acceptor_Count	5
20055283	Rotatable_Bond_Count	17
451187	Mono_Isotopic_Weight	174.131984
2192	Isotope_Atom_Count	0
31336	Defined_Bond_Stereo_Count	0
23571381	Isotope_Atom_Count	0
13659638	Isotope_Atom_Count	0
636822	Molecular_Weight	208.25
21130160	Rotatable_Bond_Count	2
132274070	XLogP3-AA	5.6
983	Exact_Mass	257.90955735
44139752	Undefined_Bond_Stereo_Count	0
9101	Undefined_Atom_Stereo_Count	2
25657	TPSA	17.1
33311	Mono_Isotopic_Weight	297.15512091
24848201	Structure_Complexity	260
69827	Hydrogen_Bond_Donor_Count	0
3989307	Undefined_Atom_Stereo_Count	2
2581	Hydrogen_Bond_Donor_Count	2
38302	Undefined_Bond_Stereo_Count	0
5355019	Undefined_Bond_Stereo_Count	0
5464190	Exact_Mass	480.12496023
688009	Isotope_Atom_Count	0
67849	Undefined_Bond_Stereo_Count	0
154522874	XLogP3-AA	0.4
25051993	TPSA	53.7
46220502	Exact_Mass	506.27179938
69591	Hydrogen_Bond_Acceptor_Count	1
56673014	Hydrogen_Bond_Donor_Count	1
170317	Isotope_Atom_Count	0
70627	Structure_Complexity	236
82273	Total_Formal_Charge	0
164656	Molecular_Weight	104.15
54565105	Covalent_Unit_Count	1
96221	Defined_Bond_Stereo_Count	0
58270057	XLogP3-AA	1.7
75552	Isotope_Atom_Count	0
216454	TPSA	65.2
5870	Undefined_Bond_Stereo_Count	0
165339	Defined_Bond_Stereo_Count	0
8424	Structure_Complexity	123
6654	Non-hydrogen_Atom_Count	10
118460906	Defined_Atom_Stereo_Count	6
5684	Hydrogen_Bond_Donor_Count	0
449035	Mono_Isotopic_Weight	299.12699141
11313946	Exact_Mass	344.13069707
4992	Hydrogen_Bond_Donor_Count	0
14022497	Mono_Isotopic_Weight	331.17183360
52942108	Total_Formal_Charge	0
68321802	Structure_Complexity	686
70693265	TPSA	89.2
3926	Defined_Atom_Stereo_Count	0
38855	Defined_Atom_Stereo_Count	0
5353622	Undefined_Bond_Stereo_Count	0
11705034	Exact_Mass	447.1855608
196445	Tautomer_Count	4
156212	Undefined_Bond_Stereo_Count	0
14815775	Defined_Bond_Stereo_Count	0
516806	TPSA	242
14147082	Defined_Atom_Stereo_Count	0
83517	Mono_Isotopic_Weight	487.49806
66620431	Non-hydrogen_Atom_Count	19
15773	Rotatable_Bond_Count	9
12303047	Total_Formal_Charge	0
2723922	TPSA	23.1
10471931	Undefined_Bond_Stereo_Count	0
7045767	TPSA	66.4
18771155	Rotatable_Bond_Count	2
90192	Rotatable_Bond_Count	11
9026	Hydrogen_Bond_Donor_Count	1
43493	Undefined_Bond_Stereo_Count	1
67239	Hydrogen_Bond_Donor_Count	2
9818	Hydrogen_Bond_Acceptor_Count	6
53316379	Defined_Bond_Stereo_Count	0
160157	Undefined_Atom_Stereo_Count	0
5636	Defined_Bond_Stereo_Count	0
2779124	Exact_Mass	113.084063974
11988953	Structure_Complexity	514
24181099	Structure_Complexity	981
78075	Hydrogen_Bond_Acceptor_Count	7
246206	Total_Formal_Charge	0
54758599	Hydrogen_Bond_Donor_Count	23
8449	Covalent_Unit_Count	1
519642	Covalent_Unit_Count	1
21275418	Covalent_Unit_Count	1
24096961	Structure_Complexity	457
129627734	Defined_Atom_Stereo_Count	17
20188118	Hydrogen_Bond_Acceptor_Count	2
611967	Covalent_Unit_Count	1
276561	XLogP3-AA	0.9
5462355	Hydrogen_Bond_Donor_Count	6
4391	Mono_Isotopic_Weight	260.08307817
627458	Non-hydrogen_Atom_Count	18
79173	Undefined_Atom_Stereo_Count	0
86811213	Exact_Mass	223.10199966
53323740	Molecular_Weight	300.31
5282425	Rotatable_Bond_Count	3
3797915	Hydrogen_Bond_Acceptor_Count	1
549244	Hydrogen_Bond_Donor_Count	0
178787	Hydrogen_Bond_Acceptor_Count	6
89105	Undefined_Bond_Stereo_Count	0
5748217	Hydrogen_Bond_Acceptor_Count	5
5324278	Covalent_Unit_Count	1
1474853	Structure_Complexity	466
12331	Hydrogen_Bond_Donor_Count	1
9555	Defined_Bond_Stereo_Count	0
5017	Isotope_Atom_Count	0
185617	Total_Formal_Charge	0
55284122	Defined_Atom_Stereo_Count	0
153909	TPSA	149
57061642	Rotatable_Bond_Count	2
666673	Structure_Complexity	729
53297383	XLogP3	3.2
768	Hydrogen_Bond_Acceptor_Count	1
70542877	Mono_Isotopic_Weight	97.027611728
85032	XLogP3-AA	1.4
9918559	Non-hydrogen_Atom_Count	35
135424953	Non-hydrogen_Atom_Count	18
4118151	TPSA	59.2
67963	Rotatable_Bond_Count	0
563	Isotope_Atom_Count	0
21962760	Structure_Complexity	57.7
5488579	Undefined_Atom_Stereo_Count	0
52945646	Rotatable_Bond_Count	5
81445	Total_Formal_Charge	0
14818447	TPSA	0
1858	Hydrogen_Bond_Donor_Count	2
71311389	Defined_Bond_Stereo_Count	0
9929785	Hydrogen_Bond_Acceptor_Count	3
63656079	Undefined_Bond_Stereo_Count	0
719044	Total_Formal_Charge	0
609492	Covalent_Unit_Count	1
9306	Undefined_Atom_Stereo_Count	1
53643991	Hydrogen_Bond_Donor_Count	2
13346655	TPSA	26.3
154030350	TPSA	0
742	Isotope_Atom_Count	0
154825180	Mono_Isotopic_Weight	527.23263824
12296	Undefined_Bond_Stereo_Count	0
5311507	Rotatable_Bond_Count	5
70690637	Isotope_Atom_Count	0
447362	Non-hydrogen_Atom_Count	30
39688	Hydrogen_Bond_Acceptor_Count	6
3082	TPSA	105
24781	Molecular_Weight	99.09
59809	Defined_Atom_Stereo_Count	0
85985944	Hydrogen_Bond_Donor_Count	0
24977371	Non-hydrogen_Atom_Count	8
4470790	Total_Formal_Charge	0
38622	Undefined_Atom_Stereo_Count	1
11777	Molecular_Weight	353.1
15981450	Isotope_Atom_Count	0
86200	Non-hydrogen_Atom_Count	17
72070	Undefined_Bond_Stereo_Count	0
67850	Structure_Complexity	134
412781	Hydrogen_Bond_Acceptor_Count	4
57397776	Covalent_Unit_Count	1
6145931	Total_Formal_Charge	0
205953	Undefined_Atom_Stereo_Count	2
10798	Defined_Atom_Stereo_Count	0
12673	Molecular_Weight	161.95
10248	Total_Formal_Charge	0
5111	Undefined_Bond_Stereo_Count	0
135457302	Isotope_Atom_Count	0
95566292	Hydrogen_Bond_Acceptor_Count	3
32881	Covalent_Unit_Count	1
65974	Defined_Bond_Stereo_Count	0
14968486	Exact_Mass	114.068079557
8422	Isotope_Atom_Count	0
112446	Hydrogen_Bond_Donor_Count	0
5230	Rotatable_Bond_Count	3
581	Rotatable_Bond_Count	3
88142236	Rotatable_Bond_Count	4
12314510	Undefined_Bond_Stereo_Count	0
443943	Rotatable_Bond_Count	2
91439	XLogP3-AA	6.5
887	Defined_Bond_Stereo_Count	0
135508231	Isotope_Atom_Count	0
69674281	Structure_Complexity	112
71450115	Hydrogen_Bond_Donor_Count	2
440667	Isotope_Atom_Count	0
135722088	TPSA	44.7
2649	Hydrogen_Bond_Donor_Count	4
166718	TPSA	27.3
18847	Tautomer_Count	1
37511	Mono_Isotopic_Weight	103.099714038
6950248	Total_Formal_Charge	0
5143	Hydrogen_Bond_Donor_Count	1
153754883	Isotope_Atom_Count	0
543885	Defined_Bond_Stereo_Count	0
17630	Isotope_Atom_Count	0
120	Defined_Bond_Stereo_Count	0
3433	Isotope_Atom_Count	0
6436223	Hydrogen_Bond_Donor_Count	4
159199	Non-hydrogen_Atom_Count	9
8186	Isotope_Atom_Count	0
637997	Defined_Atom_Stereo_Count	0
22377554	Structure_Complexity	79.1
57144446	Total_Formal_Charge	0
14536434	Defined_Bond_Stereo_Count	0
49384	Undefined_Bond_Stereo_Count	0
8264	Defined_Atom_Stereo_Count	0
67387401	Rotatable_Bond_Count	0
5461012	Molecular_Weight	253.40
5362118	Defined_Bond_Stereo_Count	0
12430063	Rotatable_Bond_Count	0
13220194	Structure_Complexity	238
526715	Hydrogen_Bond_Acceptor_Count	5
57391205	Hydrogen_Bond_Donor_Count	2
5311014	Molecular_Weight	1422.7
2761171	Non-hydrogen_Atom_Count	11
119057560	Rotatable_Bond_Count	7
23662383	Structure_Complexity	210
756	Rotatable_Bond_Count	1
60196330	Non-hydrogen_Atom_Count	13
11350	Hydrogen_Bond_Donor_Count	2
6325610	Molecular_Weight	318.3
564457	Defined_Atom_Stereo_Count	0
65590	Hydrogen_Bond_Donor_Count	0
624748	Covalent_Unit_Count	1
6314185	Rotatable_Bond_Count	7
382	Structure_Complexity	1540
68847	Molecular_Weight	376.5
90998196	Non-hydrogen_Atom_Count	7
7518	TPSA	32.3
44266486	Non-hydrogen_Atom_Count	21
32800	Mono_Isotopic_Weight	1142.35073945
131801066	Exact_Mass	774.17565762
18719616	Covalent_Unit_Count	1
5486198	Isotope_Atom_Count	0
67258976	Non-hydrogen_Atom_Count	8
158785912	Non-hydrogen_Atom_Count	85
13009112	XLogP3-AA	0.5
15561473	Hydrogen_Bond_Donor_Count	2
11170931	Total_Formal_Charge	0
6918639	Total_Formal_Charge	0
16154789	Molecular_Weight	1198.9
47151	Molecular_Weight	204.5
27622	Non-hydrogen_Atom_Count	11
68591	Undefined_Atom_Stereo_Count	0
74442	Hydrogen_Bond_Acceptor_Count	2
9861124	Exact_Mass	299.0279976
17880	Molecular_Weight	680.7
6917700	XLogP3-AA	1.8
830	Non-hydrogen_Atom_Count	12
2675	Mono_Isotopic_Weight	453.04129018
54682461	Defined_Atom_Stereo_Count	2
140830181	Undefined_Bond_Stereo_Count	0
15442507	XLogP3-AA	0.7
89364481	Undefined_Atom_Stereo_Count	3
14949967	Non-hydrogen_Atom_Count	7
11094587	Defined_Atom_Stereo_Count	0
547686	Undefined_Atom_Stereo_Count	0
66025	Hydrogen_Bond_Acceptor_Count	3
19078029	Structure_Complexity	119
79691	Non-hydrogen_Atom_Count	13
4369536	XLogP3-AA	3.4
24848345	Defined_Atom_Stereo_Count	0
542305	Molecular_Weight	118.17
5092	Non-hydrogen_Atom_Count	20
55286835	Exact_Mass	113.058911855
7118	Defined_Atom_Stereo_Count	0
1745	Structure_Complexity	57.7
544591	Rotatable_Bond_Count	3
10027816	Rotatable_Bond_Count	8
5748845	Hydrogen_Bond_Acceptor_Count	12
598777	XLogP3-AA	1.5
56643420	Structure_Complexity	457
3676	TPSA	32.3
67629	Hydrogen_Bond_Acceptor_Count	1
31246	TPSA	17.1
5282474	Hydrogen_Bond_Acceptor_Count	9
375860	Covalent_Unit_Count	1
7918	Hydrogen_Bond_Acceptor_Count	3
10133975	Non-hydrogen_Atom_Count	28
18397995	Undefined_Atom_Stereo_Count	6
75472	Covalent_Unit_Count	1
675	Defined_Atom_Stereo_Count	0
15020	Non-hydrogen_Atom_Count	22
60196391	Defined_Bond_Stereo_Count	0
6441283	Structure_Complexity	1410
461003	Hydrogen_Bond_Acceptor_Count	4
83884	Defined_Atom_Stereo_Count	5
11232	Isotope_Atom_Count	0
66692781	Molecular_Weight	277.4
13187	Rotatable_Bond_Count	6
11648276	Mono_Isotopic_Weight	460.15109573
54605501	Isotope_Atom_Count	0
92850	Hydrogen_Bond_Donor_Count	0
74070	Rotatable_Bond_Count	5
7161	TPSA	35.5
57656232	Non-hydrogen_Atom_Count	7
34870	Isotope_Atom_Count	0
65605	XLogP3	2.6
76376	Total_Formal_Charge	1
70510	Tautomer_Count	7
68871182	TPSA	23.8
12479	Non-hydrogen_Atom_Count	14
544180	Exact_Mass	112.125200510
451156	XLogP3	3.9
161664	Undefined_Bond_Stereo_Count	0
6450531	Hydrogen_Bond_Donor_Count	3
571	Non-hydrogen_Atom_Count	19
16071605	XLogP3-AA	4.3
445382	Undefined_Atom_Stereo_Count	0
543706	Covalent_Unit_Count	1
12245594	Exact_Mass	92.062600255
25099	Undefined_Bond_Stereo_Count	0
76538	Defined_Bond_Stereo_Count	0
76223467	Covalent_Unit_Count	1
10545864	Defined_Bond_Stereo_Count	0
10197702	Defined_Atom_Stereo_Count	0
72075	TPSA	6.5
1805	Tautomer_Count	3
88631	Undefined_Atom_Stereo_Count	0
5035	Total_Formal_Charge	0
120508	Rotatable_Bond_Count	7
2720	Molecular_Weight	295.7
79510	Mono_Isotopic_Weight	156.02834000
126667515	Rotatable_Bond_Count	2
22447183	Covalent_Unit_Count	1
10125362	Rotatable_Bond_Count	7
21023677	Molecular_Weight	114.19
6368	Undefined_Atom_Stereo_Count	0
103563227	Defined_Bond_Stereo_Count	0
53394675	Rotatable_Bond_Count	1
23680156	Defined_Atom_Stereo_Count	0
9022	Undefined_Atom_Stereo_Count	0
12695798	TPSA	3
139670117	Total_Formal_Charge	0
714222	Defined_Bond_Stereo_Count	0
243575	Exact_Mass	119.058243149
138975	Non-hydrogen_Atom_Count	14
24763119	Rotatable_Bond_Count	5
18517524	Mono_Isotopic_Weight	433.928234
23080684	Covalent_Unit_Count	1
13817	Defined_Atom_Stereo_Count	0
80510	Undefined_Bond_Stereo_Count	0
14505	Exact_Mass	110.036779430
44629596	Rotatable_Bond_Count	11
95512	Undefined_Bond_Stereo_Count	0
4720	Defined_Bond_Stereo_Count	0
19040543	Mono_Isotopic_Weight	89.084063974
23591662	Covalent_Unit_Count	1
54688683	Non-hydrogen_Atom_Count	45
62705686	Defined_Bond_Stereo_Count	0
51253	Isotope_Atom_Count	0
20056814	Hydrogen_Bond_Donor_Count	1
5283344	Defined_Bond_Stereo_Count	1
153623425	Structure_Complexity	150
3763	Exact_Mass	183.9714332
8059	Isotope_Atom_Count	0
810	Structure_Complexity	1450
5282421	Undefined_Atom_Stereo_Count	0
129659218	Undefined_Atom_Stereo_Count	0
253878	Non-hydrogen_Atom_Count	7
13327309	Structure_Complexity	72.9
135972	Hydrogen_Bond_Donor_Count	0
57416910	Hydrogen_Bond_Acceptor_Count	3
15321731	TPSA	24.1
10966	Mono_Isotopic_Weight	87.01427034
564751	Mono_Isotopic_Weight	231.162314293
82162	Structure_Complexity	190
951	Defined_Bond_Stereo_Count	0
12642447	Hydrogen_Bond_Donor_Count	0
1194	Total_Formal_Charge	0
3507056	Hydrogen_Bond_Acceptor_Count	5
7372	Structure_Complexity	104
86298	Defined_Bond_Stereo_Count	0
54680694	Undefined_Bond_Stereo_Count	0
53472683	Defined_Atom_Stereo_Count	1
21150622	Structure_Complexity	545
48419	Non-hydrogen_Atom_Count	24
6609	Defined_Atom_Stereo_Count	0
13140652	Undefined_Bond_Stereo_Count	0
92786	Defined_Atom_Stereo_Count	8
3893	Molecular_Weight	200.32
9820008	Defined_Atom_Stereo_Count	0
87757577	Defined_Bond_Stereo_Count	0
606430	Hydrogen_Bond_Donor_Count	0
26633	Defined_Bond_Stereo_Count	0
6271	Defined_Bond_Stereo_Count	0
2747993	Undefined_Bond_Stereo_Count	0
71825	Exact_Mass	256.109944368
13765439	Molecular_Weight	163.20
118052411	TPSA	190
62354	Isotope_Atom_Count	0
21895922	TPSA	0
3036974	Undefined_Bond_Stereo_Count	0
963715	Rotatable_Bond_Count	6
11534837	Mono_Isotopic_Weight	418.0570545
87653	Covalent_Unit_Count	1
904857	Non-hydrogen_Atom_Count	16
117846599	Total_Formal_Charge	0
31191	Defined_Bond_Stereo_Count	0
97012113	Undefined_Atom_Stereo_Count	0
137268	Defined_Bond_Stereo_Count	0
145458257	Isotope_Atom_Count	0
142901	TPSA	17.1
73114967	Undefined_Atom_Stereo_Count	4
85576	TPSA	33
21242611	Exact_Mass	309.17357019
519963	XLogP3-AA	0.6
146049032	Undefined_Bond_Stereo_Count	0
12023	Total_Formal_Charge	0
537344	Defined_Atom_Stereo_Count	0
154091255	Undefined_Bond_Stereo_Count	0
362828	Isotope_Atom_Count	0
67901	Rotatable_Bond_Count	0
140152869	Mono_Isotopic_Weight	98.084398327
13019077	TPSA	60.7
96356	Covalent_Unit_Count	1
246571	Exact_Mass	196.146329876
4456484	Hydrogen_Bond_Acceptor_Count	12
3262020	Mono_Isotopic_Weight	135.01159025
67151	TPSA	46.9
18408476	Covalent_Unit_Count	1
8794	Structure_Complexity	114
216262	Structure_Complexity	643
5288453	Total_Formal_Charge	0
121397587	Hydrogen_Bond_Acceptor_Count	10
21452007	Non-hydrogen_Atom_Count	11
118437609	TPSA	41.6
53833568	Covalent_Unit_Count	1
66327	Total_Formal_Charge	0
85217	Non-hydrogen_Atom_Count	14
5280649	Rotatable_Bond_Count	3
23465004	Hydrogen_Bond_Donor_Count	1
44560574	Mono_Isotopic_Weight	422.10824754
53326398	Hydrogen_Bond_Donor_Count	2
10658	TPSA	39.4
4173327	Covalent_Unit_Count	1
135472943	Total_Formal_Charge	0
71622385	Molecular_Weight	152.19
92403	Covalent_Unit_Count	1
24180695	Mono_Isotopic_Weight	209.12632271
242493	Mono_Isotopic_Weight	306.255880323
444493	Exact_Mass	809.12577494
57425261	TPSA	50.2
91742	Rotatable_Bond_Count	7
135476260	Hydrogen_Bond_Donor_Count	8
136323	Hydrogen_Bond_Acceptor_Count	0
53921527	TPSA	26.3
914	Hydrogen_Bond_Acceptor_Count	3
18378694	Hydrogen_Bond_Donor_Count	1
17756737	Isotope_Atom_Count	0
5287969	Total_Formal_Charge	0
447360	Hydrogen_Bond_Acceptor_Count	6
51397006	Non-hydrogen_Atom_Count	26
21836527	Molecular_Weight	111.10
19816653	Covalent_Unit_Count	1
7012	Structure_Complexity	148
129653419	Isotope_Atom_Count	0
69215	Undefined_Bond_Stereo_Count	0
62380	Defined_Atom_Stereo_Count	0
27775	Rotatable_Bond_Count	3
64722	Exact_Mass	345.1317986
20568258	Total_Formal_Charge	0
25184541	Total_Formal_Charge	0
110976	Molecular_Weight	254.41
62465	Mono_Isotopic_Weight	152.083729621
99486	TPSA	26.3
3597	Exact_Mass	488.31378912
19755826	TPSA	29.1
65798	Non-hydrogen_Atom_Count	33
18100	Total_Formal_Charge	0
3388301	TPSA	49.4
48041	Total_Formal_Charge	0
1269	Molecular_Weight	534.7
66708	Defined_Atom_Stereo_Count	0
135424747	Covalent_Unit_Count	1
10087661	XLogP3-AA	6.1
23423585	Rotatable_Bond_Count	1
3078952	Defined_Atom_Stereo_Count	0
9283	Hydrogen_Bond_Acceptor_Count	3
101924284	Total_Formal_Charge	0
7858	Hydrogen_Bond_Acceptor_Count	1
59317190	Defined_Atom_Stereo_Count	1
57928403	Molecular_Weight	326.4
14022511	Molecular_Weight	275.33
156022731	Non-hydrogen_Atom_Count	72
54069261	Molecular_Weight	116.07
9957217	Covalent_Unit_Count	1
10967532	Rotatable_Bond_Count	1
7702	Rotatable_Bond_Count	3
53674	Defined_Atom_Stereo_Count	0
3034424	Exact_Mass	196.146329876
4096517	Rotatable_Bond_Count	3
10820486	Molecular_Weight	110.11
11040399	Defined_Bond_Stereo_Count	1
56658436	Defined_Atom_Stereo_Count	0
57519510	Exact_Mass	490.22295748
951315	Isotope_Atom_Count	0
102093221	Hydrogen_Bond_Donor_Count	3
86855	XLogP3-AA	1.8
3032281	Covalent_Unit_Count	1
6628	Total_Formal_Charge	0
2936	Exact_Mass	339.99604987
131704328	Defined_Atom_Stereo_Count	0
87820	Defined_Atom_Stereo_Count	0
3462	Hydrogen_Bond_Donor_Count	2
11524	Structure_Complexity	62.8
911023	Mono_Isotopic_Weight	228.126263138
15982533	Exact_Mass	451.22195442
13487685	Non-hydrogen_Atom_Count	7
16003	Defined_Atom_Stereo_Count	0
78538	Defined_Atom_Stereo_Count	0
1470718	TPSA	57.1
44160137	Total_Formal_Charge	0
11658860	Covalent_Unit_Count	1
53957140	Defined_Bond_Stereo_Count	0
135413546	Mono_Isotopic_Weight	323.00179
54584258	Hydrogen_Bond_Donor_Count	0
92626	TPSA	20.2
83075	Undefined_Bond_Stereo_Count	0
15809	Total_Formal_Charge	0
4320947	Tautomer_Count	1
74496	Total_Formal_Charge	0
45120354	Non-hydrogen_Atom_Count	8
449107	Isotope_Atom_Count	0
5347	Isotope_Atom_Count	0
154515685	Covalent_Unit_Count	1
55289397	Hydrogen_Bond_Donor_Count	2
15273920	Isotope_Atom_Count	0
146570	Hydrogen_Bond_Acceptor_Count	4
12431744	Mono_Isotopic_Weight	92.026214747
13577	Defined_Bond_Stereo_Count	0
6922	Mono_Isotopic_Weight	161.04523368
24176	Covalent_Unit_Count	1
10414810	Mono_Isotopic_Weight	536.13412551
10435916	Structure_Complexity	877
70682078	Rotatable_Bond_Count	4
11332430	Isotope_Atom_Count	0
44358318	XLogP3-AA	4.4
5320250	Undefined_Bond_Stereo_Count	0
145875202	Defined_Atom_Stereo_Count	13
11332503	Non-hydrogen_Atom_Count	10
94297	Defined_Bond_Stereo_Count	0
6539005	Hydrogen_Bond_Acceptor_Count	7
449328	Covalent_Unit_Count	1
5200320	Structure_Complexity	56
8160	Hydrogen_Bond_Acceptor_Count	3
91315907	Structure_Complexity	82.2
9952396	Defined_Bond_Stereo_Count	0
23525993	Structure_Complexity	91.1
147919783	Covalent_Unit_Count	1
536086	Hydrogen_Bond_Acceptor_Count	2
5748152	Exact_Mass	324.183778013
5352846	Defined_Atom_Stereo_Count	0
51935	Defined_Bond_Stereo_Count	0
65898	Tautomer_Count	10
13207481	Molecular_Weight	117.15
54572926	Undefined_Atom_Stereo_Count	0
6752	Undefined_Bond_Stereo_Count	0
11105310	Total_Formal_Charge	0
13896532	Isotope_Atom_Count	0
7130	Rotatable_Bond_Count	2
738	Molecular_Weight	146.14
5353510	TPSA	201
2775510	Isotope_Atom_Count	0
59164	Isotope_Atom_Count	0
642765	Isotope_Atom_Count	0
140554	Molecular_Weight	112.17
101450	Molecular_Weight	196.12
53477948	Mono_Isotopic_Weight	510.42842495
105054	Exact_Mass	380.7134
319343	Undefined_Bond_Stereo_Count	0
3015	Molecular_Weight	374.9
118104	Non-hydrogen_Atom_Count	8
18728	TPSA	0
76464	Mono_Isotopic_Weight	226.07588133
19092	Isotope_Atom_Count	0
17845829	Mono_Isotopic_Weight	113.058911855
114523	Undefined_Bond_Stereo_Count	0
60605	Hydrogen_Bond_Acceptor_Count	9
57077963	Undefined_Bond_Stereo_Count	1
978377	Structure_Complexity	645
85786508	Molecular_Weight	112.17
101010	Exact_Mass	160.09218630
54712709	Defined_Bond_Stereo_Count	0
53909396	Covalent_Unit_Count	1
14020433	Undefined_Atom_Stereo_Count	2
13012673	Hydrogen_Bond_Donor_Count	1
90978	Hydrogen_Bond_Donor_Count	0
89578867	Defined_Atom_Stereo_Count	2
5458769	Structure_Complexity	1830
131966764	Isotope_Atom_Count	0
139670117	Undefined_Atom_Stereo_Count	1
40927	TPSA	53.1
10132	Undefined_Bond_Stereo_Count	0
6937	Exact_Mass	164.120115130
5280793	Molecular_Weight	396.6
8447	Rotatable_Bond_Count	3
824060	TPSA	71.9
45357	Structure_Complexity	201
59646264	Structure_Complexity	382
10102	Hydrogen_Bond_Acceptor_Count	0
13033202	Mono_Isotopic_Weight	98.048012819
3017336	Molecular_Weight	114.14
6436661	Molecular_Weight	626.5
444474	Hydrogen_Bond_Acceptor_Count	4
12729	Mono_Isotopic_Weight	212.177630004
13765	Undefined_Atom_Stereo_Count	0
135665263	Undefined_Atom_Stereo_Count	0
3661	Total_Formal_Charge	0
5966	Non-hydrogen_Atom_Count	40
66319	Rotatable_Bond_Count	1
2758725	Undefined_Bond_Stereo_Count	0
439524	Defined_Bond_Stereo_Count	0
25435	Defined_Atom_Stereo_Count	0
83979	TPSA	206
40474	Exact_Mass	393.802494
55287682	Undefined_Bond_Stereo_Count	0
85117	Total_Formal_Charge	0
44395044	Total_Formal_Charge	0
66259	Hydrogen_Bond_Acceptor_Count	2
5473268	Defined_Bond_Stereo_Count	1
5281718	Structure_Complexity	506
179338	Defined_Bond_Stereo_Count	0
70346812	Defined_Bond_Stereo_Count	0
13006129	Defined_Atom_Stereo_Count	4
56842796	Non-hydrogen_Atom_Count	19
8363	Hydrogen_Bond_Acceptor_Count	3
85760873	Structure_Complexity	118
12921228	Structure_Complexity	101
12546243	Undefined_Atom_Stereo_Count	0
129847313	Mono_Isotopic_Weight	381.19400834
5364714	Tautomer_Count	1
56629862	Molecular_Weight	101.15
43801121	XLogP3-AA	0.7
2331	Structure_Complexity	106
2883813	Exact_Mass	299.11575802
695314	Defined_Atom_Stereo_Count	1
15178985	Covalent_Unit_Count	1
79316	Structure_Complexity	245
724045	Undefined_Atom_Stereo_Count	0
12285878	Structure_Complexity	151
47288	Non-hydrogen_Atom_Count	22
196879	Undefined_Bond_Stereo_Count	0
74724	Rotatable_Bond_Count	2
101289807	Hydrogen_Bond_Donor_Count	0
68551	Hydrogen_Bond_Donor_Count	1
54033586	Covalent_Unit_Count	1
41351	Molecular_Weight	397.8
8995	XLogP3	2.6
12803	Tautomer_Count	1
71449859	XLogP3-AA	3.2
20259182	Exact_Mass	108.093900383
184366	Hydrogen_Bond_Acceptor_Count	2
7292	Isotope_Atom_Count	0
15789550	Exact_Mass	101.084063974
449487	Undefined_Bond_Stereo_Count	0
57397462	Exact_Mass	388.0648413
53326688	Molecular_Weight	463.0
4392	Molecular_Weight	344.26
46173802	Undefined_Atom_Stereo_Count	0
13643838	Hydrogen_Bond_Acceptor_Count	2
12201381	Defined_Bond_Stereo_Count	0
147543335	Mono_Isotopic_Weight	97.089149355
1464	Covalent_Unit_Count	1
57424711	Hydrogen_Bond_Acceptor_Count	3
5771	Defined_Bond_Stereo_Count	0
54684461	Defined_Atom_Stereo_Count	6
94744	Defined_Atom_Stereo_Count	0
6028	Mono_Isotopic_Weight	229.885975
11178236	Isotope_Atom_Count	0
11408688	Covalent_Unit_Count	2
68078	Hydrogen_Bond_Acceptor_Count	2
164946793	Rotatable_Bond_Count	24
32243	Isotope_Atom_Count	0
68548	Undefined_Bond_Stereo_Count	0
9855455	Mono_Isotopic_Weight	101.047678466
17531	Molecular_Weight	345.4
68938028	XLogP3-AA	4.2
2042	Defined_Atom_Stereo_Count	0
20782632	Mono_Isotopic_Weight	114.104465066
69851383	Undefined_Bond_Stereo_Count	1
98954	Isotope_Atom_Count	0
44251425	Defined_Atom_Stereo_Count	1
23286	Isotope_Atom_Count	0
60363	Hydrogen_Bond_Donor_Count	0
18980946	Isotope_Atom_Count	0
72862	Non-hydrogen_Atom_Count	13
94948	Exact_Mass	253.03750770
535722	Undefined_Bond_Stereo_Count	0
11027582	Exact_Mass	506.97095
433956	Rotatable_Bond_Count	3
25435	Exact_Mass	526.28768825
5289006	TPSA	124
22650	XLogP3	4.1
90657669	Mono_Isotopic_Weight	582.27164427
87892	Rotatable_Bond_Count	16
103609	Undefined_Bond_Stereo_Count	0
69370	Defined_Bond_Stereo_Count	0
11306073	Defined_Bond_Stereo_Count	0
71080	Non-hydrogen_Atom_Count	6
5284554	Exact_Mass	1059.74333626
67085	Exact_Mass	422.07428
20333380	Rotatable_Bond_Count	0
104975	XLogP3-AA	2.6
12309460	Non-hydrogen_Atom_Count	19
53477781	Molecular_Weight	368.5
3352	Hydrogen_Bond_Donor_Count	1
16758827	Hydrogen_Bond_Donor_Count	4
90427261	TPSA	20.2
21635382	Exact_Mass	105.078978594
64737	TPSA	32.3
102115685	Structure_Complexity	102
21522	Non-hydrogen_Atom_Count	17
5281884	Molecular_Weight	1214.6
221523	Undefined_Atom_Stereo_Count	0
81184	Tautomer_Count	3
101649230	Undefined_Bond_Stereo_Count	0
20054887	Defined_Atom_Stereo_Count	15
135450591	Mono_Isotopic_Weight	473.16589610
69392	Undefined_Atom_Stereo_Count	0
162461	Molecular_Weight	213.27
7088	Defined_Bond_Stereo_Count	0
167029	Defined_Atom_Stereo_Count	0
497377	Undefined_Bond_Stereo_Count	0
5311052	Molecular_Weight	410.9
534439	Molecular_Weight	114.19
71751164	Undefined_Bond_Stereo_Count	0
253	Covalent_Unit_Count	1
135451068	Structure_Complexity	834
114840	Defined_Bond_Stereo_Count	0
25079425	Tautomer_Count	996
9548620	Exact_Mass	373.05012353
10159630	Mono_Isotopic_Weight	428.15835111
13424661	Covalent_Unit_Count	1
52914006	Exact_Mass	468.32395988
84339	Covalent_Unit_Count	1
6496	Hydrogen_Bond_Donor_Count	0
44560703	Defined_Atom_Stereo_Count	0
6148	Mono_Isotopic_Weight	275.188529040
22219016	Total_Formal_Charge	0
64772	Total_Formal_Charge	0
1574	Hydrogen_Bond_Acceptor_Count	2
7537	Isotope_Atom_Count	0
13473	Mono_Isotopic_Weight	331.1161486
24807494	Non-hydrogen_Atom_Count	8
64950	Undefined_Bond_Stereo_Count	0
136705	Covalent_Unit_Count	1
14895679	Molecular_Weight	87.12
146158340	TPSA	157
11829386	Total_Formal_Charge	0
6791	XLogP3	2.1
9709	Mono_Isotopic_Weight	129.03900549
71898	Covalent_Unit_Count	2
37612	Rotatable_Bond_Count	3
25315	Undefined_Atom_Stereo_Count	1
54315893	Isotope_Atom_Count	0
657275	Exact_Mass	271.1451400
15981237	Mono_Isotopic_Weight	434.0297083
47750	Hydrogen_Bond_Acceptor_Count	6
68983	Mono_Isotopic_Weight	76.044187285
119097331	Non-hydrogen_Atom_Count	7
53477778	Mono_Isotopic_Weight	518.18602241
72924	Tautomer_Count	5
54586720	Total_Formal_Charge	0
23724801	Mono_Isotopic_Weight	375.1601214
12614	Total_Formal_Charge	0
12201511	Non-hydrogen_Atom_Count	8
10305301	Defined_Atom_Stereo_Count	1
67818	Structure_Complexity	448
1018	Total_Formal_Charge	0
12545984	TPSA	21.3
43216	TPSA	41.5
57401682	Undefined_Atom_Stereo_Count	0
5287958	Defined_Atom_Stereo_Count	8
6481	Covalent_Unit_Count	1
96237	Undefined_Atom_Stereo_Count	0
2775003	Molecular_Weight	115.13
10444413	Covalent_Unit_Count	1
121329665	TPSA	190
95524	Undefined_Atom_Stereo_Count	1
15013749	Non-hydrogen_Atom_Count	39
441254	Isotope_Atom_Count	0
9926054	Tautomer_Count	5
183809	Undefined_Bond_Stereo_Count	0
1078	Exact_Mass	355.15523479
10428273	Total_Formal_Charge	0
11316094	XLogP3-AA	2.4
44310775	Mono_Isotopic_Weight	375.21580641
12350	Total_Formal_Charge	0
90125683	Hydrogen_Bond_Donor_Count	0
61103	Tautomer_Count	1
57483323	Undefined_Atom_Stereo_Count	1
10701	Mono_Isotopic_Weight	113.022526347
159055	Tautomer_Count	2
68027290	Total_Formal_Charge	0
54698175	Exact_Mass	542.17049376
133169	Isotope_Atom_Count	0
16064	Non-hydrogen_Atom_Count	17
131673845	TPSA	726
2222	Covalent_Unit_Count	1
91561252	Isotope_Atom_Count	0
19239	Undefined_Bond_Stereo_Count	0
3230	Total_Formal_Charge	0
71583603	Covalent_Unit_Count	1
10193406	Hydrogen_Bond_Acceptor_Count	4
53627587	Structure_Complexity	72.1
93563	Isotope_Atom_Count	0
89418505	Undefined_Bond_Stereo_Count	0
13582607	Defined_Atom_Stereo_Count	0
5351	Undefined_Bond_Stereo_Count	0
54726514	Molecular_Weight	634.6
5707	Defined_Bond_Stereo_Count	0
58599	Non-hydrogen_Atom_Count	22
317053	Hydrogen_Bond_Donor_Count	1
208922	Mono_Isotopic_Weight	292.193948774
23521592	Total_Formal_Charge	0
23667619	Undefined_Atom_Stereo_Count	0
12285886	Rotatable_Bond_Count	1
12389634	Exact_Mass	94.078250319
636398	Hydrogen_Bond_Acceptor_Count	7
58496428	Structure_Complexity	732
70969	Defined_Bond_Stereo_Count	0
13073879	Undefined_Atom_Stereo_Count	0
440577	TPSA	240
84265	Structure_Complexity	235
22024814	Molecular_Weight	98.14
57645443	TPSA	110
2482	Hydrogen_Bond_Acceptor_Count	3
66071945	Exact_Mass	111.068413911
103032	Defined_Bond_Stereo_Count	0
684	Molecular_Weight	564.3
6414	Undefined_Atom_Stereo_Count	0
2285	Undefined_Bond_Stereo_Count	0
136335	Undefined_Atom_Stereo_Count	0
12634652	Molecular_Weight	80.13
11282394	Covalent_Unit_Count	1
3318739	XLogP3-AA	7.9
15939272	Rotatable_Bond_Count	0
6433176	Undefined_Bond_Stereo_Count	0
5288672	Exact_Mass	359.1036691
37865	Non-hydrogen_Atom_Count	21
6536825	Non-hydrogen_Atom_Count	13
97740	Covalent_Unit_Count	1
135753908	Hydrogen_Bond_Donor_Count	1
156460742	Molecular_Weight	117.15
10180799	Defined_Bond_Stereo_Count	0
439282	Undefined_Bond_Stereo_Count	0
130354549	Non-hydrogen_Atom_Count	7
145994872	Hydrogen_Bond_Donor_Count	2
61828	Mono_Isotopic_Weight	239.93012
67807	Defined_Atom_Stereo_Count	0
42611257	Defined_Atom_Stereo_Count	0
164748	Exact_Mass	155.9909149
12414280	Structure_Complexity	134
8107	TPSA	29.5
634423	Structure_Complexity	835
151994	Hydrogen_Bond_Donor_Count	0
151090	TPSA	43.8
122173102	Total_Formal_Charge	0
13163	Total_Formal_Charge	0
9940999	Molecular_Weight	419.2
101835694	Mono_Isotopic_Weight	94.078250319
10972	Undefined_Bond_Stereo_Count	0
3482	Rotatable_Bond_Count	1
138112	Undefined_Atom_Stereo_Count	0
23617864	Mono_Isotopic_Weight	210.161979940
5281394	Undefined_Bond_Stereo_Count	0
117065485	Defined_Atom_Stereo_Count	4
131954673	Exact_Mass	1254.62847470
9908306	Non-hydrogen_Atom_Count	27
6918502	Molecular_Weight	499.6
6918188	Mono_Isotopic_Weight	733.15140
76398	Structure_Complexity	82.2
9919265	Undefined_Atom_Stereo_Count	0
2086	Hydrogen_Bond_Acceptor_Count	4
129631779	Rotatable_Bond_Count	8
49865733	XLogP3-AA	3.5
134688930	Undefined_Bond_Stereo_Count	0
135413554	Isotope_Atom_Count	0
6745	Mono_Isotopic_Weight	414.386166214
190818	Hydrogen_Bond_Acceptor_Count	10
13138	Total_Formal_Charge	0
44593340	Total_Formal_Charge	0
2783363	Undefined_Bond_Stereo_Count	0
81827	Non-hydrogen_Atom_Count	8
164135990	Molecular_Weight	95.14
20821294	Structure_Complexity	122
2864	TPSA	108
134669	Defined_Bond_Stereo_Count	0
90735699	Undefined_Atom_Stereo_Count	0
11073371	Undefined_Bond_Stereo_Count	0
53709010	Non-hydrogen_Atom_Count	13
8126	Hydrogen_Bond_Donor_Count	0
160139	Defined_Atom_Stereo_Count	3
121316818	Isotope_Atom_Count	0
20289356	TPSA	49.7
443239	Covalent_Unit_Count	1
10245972	Covalent_Unit_Count	1
274074	TPSA	15.6
527111	Covalent_Unit_Count	1
57572416	TPSA	240
21572608	Covalent_Unit_Count	1
10329946	Molecular_Weight	181.15
12103	Mono_Isotopic_Weight	159.9846556
154809859	Hydrogen_Bond_Acceptor_Count	14
130150414	Hydrogen_Bond_Acceptor_Count	4
16639	Mono_Isotopic_Weight	232.121177757
47714	TPSA	50.8
5281006	Undefined_Bond_Stereo_Count	0
242426	Isotope_Atom_Count	0
3793	Structure_Complexity	1120
543664	Defined_Bond_Stereo_Count	0
7608	Hydrogen_Bond_Donor_Count	1
499988	Non-hydrogen_Atom_Count	30
1261	Defined_Atom_Stereo_Count	0
67554835	Hydrogen_Bond_Donor_Count	1
71782	Undefined_Bond_Stereo_Count	2
60200126	Structure_Complexity	802
8058	Covalent_Unit_Count	1
118613234	Isotope_Atom_Count	0
6604866	Non-hydrogen_Atom_Count	22
164868049	TPSA	9.2
4712993	Hydrogen_Bond_Donor_Count	0
5281099	Undefined_Bond_Stereo_Count	0
6563	Rotatable_Bond_Count	1
76840	Isotope_Atom_Count	0
54848	Undefined_Bond_Stereo_Count	0
12313523	Defined_Atom_Stereo_Count	5
2776282	TPSA	41.1
54689800	XLogP3	1.8
74210	XLogP3	3.7
3083444	TPSA	761
124021	Defined_Atom_Stereo_Count	5
772	Hydrogen_Bond_Donor_Count	15
458096	Rotatable_Bond_Count	13
5281034	Undefined_Bond_Stereo_Count	0
92210	Rotatable_Bond_Count	1
25246316	XLogP3-AA	7.5
21917690	Isotope_Atom_Count	0
18668047	Hydrogen_Bond_Donor_Count	1
54610537	Covalent_Unit_Count	2
145971	Isotope_Atom_Count	0
148013616	Defined_Bond_Stereo_Count	0
11448496	Non-hydrogen_Atom_Count	11
44392096	Non-hydrogen_Atom_Count	37
25116186	Non-hydrogen_Atom_Count	29
25724	XLogP3-AA	1.2
22464	Total_Formal_Charge	0
735940	Non-hydrogen_Atom_Count	10
15817841	Hydrogen_Bond_Donor_Count	3
3829279	Covalent_Unit_Count	1
137553930	Total_Formal_Charge	0
67403	TPSA	60.7
21047	Isotope_Atom_Count	0
53321481	XLogP3-AA	3.1
7260	TPSA	26
86646597	Mono_Isotopic_Weight	281.05442107
13925935	Hydrogen_Bond_Donor_Count	0
30913	Hydrogen_Bond_Acceptor_Count	5
7496	TPSA	142
104287	Non-hydrogen_Atom_Count	30
16072155	Mono_Isotopic_Weight	582.3085169
64148	Mono_Isotopic_Weight	239.99869710
72121	Defined_Atom_Stereo_Count	0
58854	Total_Formal_Charge	0
529264	Covalent_Unit_Count	1
46930044	Isotope_Atom_Count	0
52361	Hydrogen_Bond_Acceptor_Count	3
15038	Isotope_Atom_Count	0
6918123	Mono_Isotopic_Weight	331.03264982
54980	Structure_Complexity	323
4523964	Defined_Bond_Stereo_Count	0
145815	Defined_Bond_Stereo_Count	0
55560	Non-hydrogen_Atom_Count	40
5319754	Exact_Mass	98.073164938
656823	Isotope_Atom_Count	0
23276065	Exact_Mass	362.0144595
15284	Undefined_Bond_Stereo_Count	0
6363	XLogP3-AA	0.1
709	Exact_Mass	194.05790880
11289630	Total_Formal_Charge	0
44563109	Defined_Atom_Stereo_Count	0
14819036	Molecular_Weight	78.07
6098	Undefined_Bond_Stereo_Count	0
5993	Molecular_Weight	409.8
6548	Undefined_Atom_Stereo_Count	1
154808064	Isotope_Atom_Count	0
124631517	Defined_Bond_Stereo_Count	0
53689772	Undefined_Atom_Stereo_Count	0
16278	Defined_Atom_Stereo_Count	0
99058	Non-hydrogen_Atom_Count	16
6382	Molecular_Weight	209.82
53815669	Undefined_Atom_Stereo_Count	0
131751341	Hydrogen_Bond_Donor_Count	8
142538	Undefined_Atom_Stereo_Count	2
70445	Structure_Complexity	76.5
14502691	TPSA	12
24532	Undefined_Bond_Stereo_Count	0
91490	Structure_Complexity	201
10832	Total_Formal_Charge	0
124921374	TPSA	231
304265	Total_Formal_Charge	0
70695760	Defined_Atom_Stereo_Count	0
133952	Hydrogen_Bond_Acceptor_Count	7
23552407	Total_Formal_Charge	0
4952	Total_Formal_Charge	0
67248938	XLogP3-AA	3
81762	Covalent_Unit_Count	1
9579252	Hydrogen_Bond_Acceptor_Count	6
6917860	Exact_Mass	554.05420021
19063360	Mono_Isotopic_Weight	112.125200510
24414	Undefined_Atom_Stereo_Count	0
16213473	Molecular_Weight	672.9
625295	Undefined_Bond_Stereo_Count	0
6371710	Isotope_Atom_Count	0
21093792	Rotatable_Bond_Count	4
71460924	TPSA	99.2
846	Isotope_Atom_Count	0
134	XLogP3-AA	0.1
6433695	Defined_Atom_Stereo_Count	0
137967	Undefined_Atom_Stereo_Count	0
56737	TPSA	106
14532580	Non-hydrogen_Atom_Count	8
72429	Undefined_Bond_Stereo_Count	0
136010411	Hydrogen_Bond_Acceptor_Count	3
3694570	XLogP3-AA	3.9
60789	Defined_Atom_Stereo_Count	1
4205037	Hydrogen_Bond_Acceptor_Count	4
54475034	XLogP3-AA	0.1
154461366	Exact_Mass	107.037113783
11164	Isotope_Atom_Count	0
97469	Non-hydrogen_Atom_Count	12
6413	Total_Formal_Charge	0
442294	Mono_Isotopic_Weight	264.13615911
53851	Non-hydrogen_Atom_Count	23
87586559	Rotatable_Bond_Count	0
101643209	Defined_Bond_Stereo_Count	0
943	Tautomer_Count	1
102372243	Hydrogen_Bond_Acceptor_Count	3
31953	Undefined_Atom_Stereo_Count	0
26248	Isotope_Atom_Count	0
94543	Structure_Complexity	174
5319	Rotatable_Bond_Count	3
67178850	Non-hydrogen_Atom_Count	7
9953630	Hydrogen_Bond_Acceptor_Count	9
10493732	Mono_Isotopic_Weight	290.199428076
141411141	Isotope_Atom_Count	0
66330	Exact_Mass	178.062994177
39147	Rotatable_Bond_Count	6
9828310	Non-hydrogen_Atom_Count	37
22242539	Defined_Bond_Stereo_Count	0
19665	Isotope_Atom_Count	0
6681	Undefined_Atom_Stereo_Count	0
90708518	Undefined_Atom_Stereo_Count	0
74724	Total_Formal_Charge	0
71464685	Hydrogen_Bond_Donor_Count	6
2733335	Defined_Bond_Stereo_Count	0
68648	Total_Formal_Charge	0
70267665	Total_Formal_Charge	0
72155	Total_Formal_Charge	0
135403804	Undefined_Bond_Stereo_Count	0
163326	Covalent_Unit_Count	1
69061828	Mono_Isotopic_Weight	108.057514874
84682	Molecular_Weight	74.12
9830317	Defined_Atom_Stereo_Count	2
25138203	Mono_Isotopic_Weight	354.11504700
91171	Exact_Mass	118.099379685
4666	Undefined_Atom_Stereo_Count	11
42648	Total_Formal_Charge	0
51346808	XLogP3-AA	3
12298391	Structure_Complexity	122
13382623	Non-hydrogen_Atom_Count	8
686	Mono_Isotopic_Weight	548.08084212
10464328	Total_Formal_Charge	0
51063134	TPSA	102
20283	Total_Formal_Charge	0
56993535	Hydrogen_Bond_Acceptor_Count	1
17684448	Structure_Complexity	279
17231	XLogP3	5
8305	Covalent_Unit_Count	1
78802	Defined_Bond_Stereo_Count	0
19962939	Undefined_Atom_Stereo_Count	0
21474	Exact_Mass	230.105527694
16132443	Rotatable_Bond_Count	41
138113415	Mono_Isotopic_Weight	765.42004509
716312	TPSA	63.3
72823181	Covalent_Unit_Count	1
6529	Hydrogen_Bond_Donor_Count	0
91386640	Exact_Mass	101.084063974
234041	Undefined_Bond_Stereo_Count	2
522086	TPSA	20.2
21637995	Undefined_Bond_Stereo_Count	0
163090689	Undefined_Bond_Stereo_Count	0
107871	Mono_Isotopic_Weight	181.9537494
12607503	Undefined_Bond_Stereo_Count	0
9885981	Hydrogen_Bond_Acceptor_Count	5
13348005	Covalent_Unit_Count	1
2723789	Undefined_Bond_Stereo_Count	0
43102	Defined_Bond_Stereo_Count	0
5803	TPSA	66.8
606512	Exact_Mass	369.17630742
6433197	Molecular_Weight	518.5
11883891	Non-hydrogen_Atom_Count	13
174174	Undefined_Bond_Stereo_Count	0
5283547	Molecular_Weight	580.9
3062316	Undefined_Bond_Stereo_Count	0
6194	Structure_Complexity	288
71709	Total_Formal_Charge	0
34515	Isotope_Atom_Count	0
100094	Covalent_Unit_Count	1
11846570	Rotatable_Bond_Count	12
101008927	Hydrogen_Bond_Acceptor_Count	2
545317	Mono_Isotopic_Weight	226.12050905
5489029	Structure_Complexity	854
5395	Mono_Isotopic_Weight	173.141578849
118121642	Molecular_Weight	110.11
130796	Rotatable_Bond_Count	4
12301	Exact_Mass	104.047344113
11961423	Exact_Mass	112.063662883
24825271	XLogP3-AA	2.7
59999797	Defined_Atom_Stereo_Count	0
24891700	Molecular_Weight	427.5
15774823	Hydrogen_Bond_Donor_Count	0
16129616	Molecular_Weight	3431.9
54682505	Structure_Complexity	558
156617908	TPSA	190
4257	Rotatable_Bond_Count	4
54688686	Undefined_Bond_Stereo_Count	0
11589590	Isotope_Atom_Count	0
5458589	Covalent_Unit_Count	2
9857256	Non-hydrogen_Atom_Count	18
26310	Hydrogen_Bond_Donor_Count	0
72784	Molecular_Weight	277.94
57390217	Exact_Mass	513.27399000
3366	Isotope_Atom_Count	0
121861	Total_Formal_Charge	0
4555	XLogP3-AA	5.3
25654	Molecular_Weight	389.4
151897	XLogP3	1.2
56834575	Molecular_Weight	465.5
25199807	Covalent_Unit_Count	3
7098680	Defined_Atom_Stereo_Count	2
9818231	Rotatable_Bond_Count	3
140523	Structure_Complexity	194
24680	TPSA	17.1
57874	Covalent_Unit_Count	1
14440697	Mono_Isotopic_Weight	364.10592162
76478	Isotope_Atom_Count	0
135451156	Hydrogen_Bond_Acceptor_Count	3
60154328	Mono_Isotopic_Weight	285.13380813
2734223	Isotope_Atom_Count	0
131749560	Exact_Mass	164.139901825
219104	Hydrogen_Bond_Donor_Count	1
1325	Isotope_Atom_Count	0
118701498	Hydrogen_Bond_Donor_Count	2
11773081	Hydrogen_Bond_Acceptor_Count	4
10007	Isotope_Atom_Count	0
51371222	TPSA	91.2
16737690	Hydrogen_Bond_Acceptor_Count	12
7203	Undefined_Atom_Stereo_Count	0
15208558	Hydrogen_Bond_Acceptor_Count	1
11369	Defined_Atom_Stereo_Count	0
23423585	Hydrogen_Bond_Acceptor_Count	3
1486	Defined_Bond_Stereo_Count	0
57396041	Exact_Mass	454.33077660
2467	Defined_Bond_Stereo_Count	0
70978	XLogP3-AA	1
18718394	Hydrogen_Bond_Donor_Count	0
1064	Non-hydrogen_Atom_Count	13
10877967	Rotatable_Bond_Count	2
512289	Undefined_Bond_Stereo_Count	0
71141	Mono_Isotopic_Weight	519.06645956
299643	Hydrogen_Bond_Donor_Count	1
915	Total_Formal_Charge	0
78457	Undefined_Atom_Stereo_Count	0
9012	Molecular_Weight	246.4
45480603	Hydrogen_Bond_Donor_Count	3
46204396	Defined_Atom_Stereo_Count	0
3653	Undefined_Bond_Stereo_Count	0
6433415	Undefined_Bond_Stereo_Count	0
35384	Defined_Bond_Stereo_Count	0
68002	TPSA	74
1499	Defined_Atom_Stereo_Count	0
102856	Total_Formal_Charge	0
22918788	Exact_Mass	88.052429494
1382043	Mono_Isotopic_Weight	107.048347172
6145931	Hydrogen_Bond_Acceptor_Count	5
56845780	Isotope_Atom_Count	0
12362	Undefined_Atom_Stereo_Count	0
16295	Mono_Isotopic_Weight	148.125200510
134129858	Hydrogen_Bond_Acceptor_Count	7
377	Exact_Mass	547.19474967
70258	Defined_Bond_Stereo_Count	0
69990	Structure_Complexity	148
114801	Mono_Isotopic_Weight	116.083729621
52716	Molecular_Weight	399.8
4871	Defined_Atom_Stereo_Count	0
165880629	TPSA	41.2
44126086	TPSA	106
78557	Hydrogen_Bond_Donor_Count	0
33721	Exact_Mass	99.068413911
71307	Total_Formal_Charge	0
89576913	Defined_Atom_Stereo_Count	0
413520	Hydrogen_Bond_Donor_Count	0
10170	Structure_Complexity	963
6436661	Defined_Bond_Stereo_Count	2
5370052	Exact_Mass	208.146329876
22889103	Hydrogen_Bond_Donor_Count	1
21574	Undefined_Bond_Stereo_Count	0
83949	Structure_Complexity	1210
99845	Covalent_Unit_Count	1
60803	Hydrogen_Bond_Acceptor_Count	5
519200	Hydrogen_Bond_Donor_Count	0
4517	Undefined_Bond_Stereo_Count	0
656598	Isotope_Atom_Count	0
25512	Defined_Atom_Stereo_Count	0
43	Undefined_Bond_Stereo_Count	0
4274588	Defined_Bond_Stereo_Count	0
118723025	Rotatable_Bond_Count	6
22639586	TPSA	38
5281404	Isotope_Atom_Count	0
5440	Total_Formal_Charge	0
85421	Mono_Isotopic_Weight	505.208512955
149164152	Mono_Isotopic_Weight	112.052429494
129845	Defined_Bond_Stereo_Count	0
572717	Hydrogen_Bond_Acceptor_Count	0
5282443	Exact_Mass	278.178298710
380611	XLogP3-AA	2
122706434	Defined_Atom_Stereo_Count	10
5484366	Rotatable_Bond_Count	2
3514	Non-hydrogen_Atom_Count	22
20298594	XLogP3-AA	0.3
12714402	Undefined_Atom_Stereo_Count	1
633526	Isotope_Atom_Count	0
16971	Isotope_Atom_Count	0
75588	Undefined_Bond_Stereo_Count	0
599239	Covalent_Unit_Count	1
57441994	Defined_Bond_Stereo_Count	0
13584550	Defined_Atom_Stereo_Count	0
2966	Defined_Bond_Stereo_Count	0
9934347	Rotatable_Bond_Count	7
101973938	Rotatable_Bond_Count	4
23655	Hydrogen_Bond_Donor_Count	1
129027658	Rotatable_Bond_Count	0
55	Total_Formal_Charge	0
612499	Molecular_Weight	260.30
57784	Tautomer_Count	3
91758	Molecular_Weight	283.4
24871329	Rotatable_Bond_Count	4
255191	Hydrogen_Bond_Donor_Count	0
6992023	Hydrogen_Bond_Acceptor_Count	5
17892701	Isotope_Atom_Count	0
12201380	Structure_Complexity	123
17321	Total_Formal_Charge	0
71300410	Rotatable_Bond_Count	0
61067	Molecular_Weight	116.16
44563178	Total_Formal_Charge	0
645886	Defined_Bond_Stereo_Count	0
86821	Undefined_Bond_Stereo_Count	0
54427	Defined_Bond_Stereo_Count	0
598696	Defined_Atom_Stereo_Count	0
23677989	Molecular_Weight	751.8
9533	Total_Formal_Charge	0
118701038	Exact_Mass	363.872766
117186636	Rotatable_Bond_Count	1
11830	Structure_Complexity	202
3045335	Defined_Bond_Stereo_Count	0
73919	Undefined_Bond_Stereo_Count	0
3415	Undefined_Bond_Stereo_Count	0
155649598	Covalent_Unit_Count	1
134693165	Exact_Mass	742.23202911
129668601	Isotope_Atom_Count	0
168088	Structure_Complexity	442
90737888	Non-hydrogen_Atom_Count	7
123809	Defined_Bond_Stereo_Count	0
135938	Hydrogen_Bond_Donor_Count	1
47294	TPSA	72.9
3035240	Rotatable_Bond_Count	3
1550470	Isotope_Atom_Count	0
798232	Molecular_Weight	340.8
53484290	Hydrogen_Bond_Acceptor_Count	2
174240	Hydrogen_Bond_Donor_Count	1
107879	Hydrogen_Bond_Acceptor_Count	8
26033	Non-hydrogen_Atom_Count	24
115266	TPSA	37.3
71800	Isotope_Atom_Count	1
6919175	Rotatable_Bond_Count	3
554363	Defined_Atom_Stereo_Count	0
16685262	Total_Formal_Charge	0
274075	Covalent_Unit_Count	1
122522140	Covalent_Unit_Count	1
135565589	Defined_Atom_Stereo_Count	4
135398635	TPSA	155
10181729	Undefined_Bond_Stereo_Count	0
23293193	Defined_Atom_Stereo_Count	0
6918146	Undefined_Atom_Stereo_Count	2
12976	Rotatable_Bond_Count	1
5288769	Structure_Complexity	382
118053313	Undefined_Atom_Stereo_Count	2
712239	Defined_Bond_Stereo_Count	0
66254	Rotatable_Bond_Count	4
62820	Exact_Mass	209.9606158
7669	Total_Formal_Charge	0
13037934	Rotatable_Bond_Count	15
54586718	Isotope_Atom_Count	0
9801	Mono_Isotopic_Weight	329.214349865
11815316	Exact_Mass	112.063662883
118210808	Undefined_Atom_Stereo_Count	2
39628	Isotope_Atom_Count	0
527633	Exact_Mass	117.078978594
49853406	Undefined_Bond_Stereo_Count	0
45359105	Molecular_Weight	306.37
80715	Structure_Complexity	262
138921	Structure_Complexity	107
57572416	Hydrogen_Bond_Donor_Count	4
49756	Hydrogen_Bond_Acceptor_Count	2
134715513	Undefined_Bond_Stereo_Count	0
54732122	Undefined_Bond_Stereo_Count	0
1414	Rotatable_Bond_Count	12
4797	Isotope_Atom_Count	0
5962	Hydrogen_Bond_Acceptor_Count	4
46220502	Hydrogen_Bond_Donor_Count	1
56672413	Covalent_Unit_Count	1
53389	Hydrogen_Bond_Acceptor_Count	2
21493122	Non-hydrogen_Atom_Count	7
227801	Molecular_Weight	224.30
10130337	Defined_Atom_Stereo_Count	1
45351	Mono_Isotopic_Weight	277.1233420
124005380	Exact_Mass	110.109550447
25200272	Hydrogen_Bond_Donor_Count	6
38876	Structure_Complexity	233
24825758	Hydrogen_Bond_Acceptor_Count	18
2040	Defined_Bond_Stereo_Count	0
70111	Defined_Atom_Stereo_Count	0
22385729	Defined_Bond_Stereo_Count	0
10047045	Mono_Isotopic_Weight	408.20490738
14459508	Total_Formal_Charge	0
47714	Exact_Mass	390.28824308
108675	TPSA	0
67137411	Molecular_Weight	111.06
55289602	Hydrogen_Bond_Donor_Count	1
65174649	Molecular_Weight	112.17
1937	Rotatable_Bond_Count	4
11332471	Mono_Isotopic_Weight	128.04489933
5460504	Undefined_Bond_Stereo_Count	0
78933	Tautomer_Count	1
60196383	Hydrogen_Bond_Acceptor_Count	6
8446	Defined_Bond_Stereo_Count	0
72002	XLogP3-AA	4.7
84762050	Defined_Bond_Stereo_Count	0
5472495	Rotatable_Bond_Count	4
8323	Mono_Isotopic_Weight	239.058243149
14815780	Defined_Bond_Stereo_Count	0
133667882	Exact_Mass	110.073164938
28896	Defined_Atom_Stereo_Count	0
162302	Molecular_Weight	291.4
20949	Isotope_Atom_Count	0
56841939	Total_Formal_Charge	0
44560807	TPSA	139
278580	Molecular_Weight	116.11
134694857	Hydrogen_Bond_Acceptor_Count	9
5059	XLogP3-AA	5.2
68790	Defined_Bond_Stereo_Count	0
73278	Hydrogen_Bond_Acceptor_Count	3
9865442	TPSA	83.8
57264323	Rotatable_Bond_Count	0
4659387	Hydrogen_Bond_Donor_Count	2
639102	Isotope_Atom_Count	0
448537	Structure_Complexity	286
2507	Undefined_Atom_Stereo_Count	1
102614	Undefined_Atom_Stereo_Count	1
118216	Defined_Bond_Stereo_Count	0
3034645	Rotatable_Bond_Count	1
268370	Molecular_Weight	324.4
114523	Molecular_Weight	160.25
8320	Defined_Bond_Stereo_Count	0
86656004	Non-hydrogen_Atom_Count	8
17019	Non-hydrogen_Atom_Count	16
9816483	XLogP3-AA	3
6519	Hydrogen_Bond_Donor_Count	4
13275541	Hydrogen_Bond_Donor_Count	1
53803945	XLogP3-AA	3
56149	Non-hydrogen_Atom_Count	15
13242839	Covalent_Unit_Count	1
11647679	Hydrogen_Bond_Acceptor_Count	3
77990	Molecular_Weight	400.4
78759283	Covalent_Unit_Count	2
58420421	Defined_Bond_Stereo_Count	0
5361202	Structure_Complexity	798
127000832	Total_Formal_Charge	0
131852189	Total_Formal_Charge	0
10564696	Tautomer_Count	1
654	Tautomer_Count	1
2723755	Non-hydrogen_Atom_Count	6
82505	Defined_Bond_Stereo_Count	0
15624	Total_Formal_Charge	0
4551	TPSA	51.1
5368491	Hydrogen_Bond_Donor_Count	1
74470	Defined_Bond_Stereo_Count	0
763185	Total_Formal_Charge	0
19354533	TPSA	9.2
23603	Hydrogen_Bond_Donor_Count	1
46226173	Undefined_Atom_Stereo_Count	0
22602670	Defined_Atom_Stereo_Count	0
8308	Defined_Bond_Stereo_Count	0
8425	Defined_Atom_Stereo_Count	0
524314	Non-hydrogen_Atom_Count	11
90753032	Undefined_Bond_Stereo_Count	0
9917021	Isotope_Atom_Count	0
129670580	Defined_Atom_Stereo_Count	0
21868057	Mono_Isotopic_Weight	96.093900383
86295112	Molecular_Weight	340.4
71719928	Molecular_Weight	525.6
7214	Undefined_Bond_Stereo_Count	1
86305	Covalent_Unit_Count	1
38286	Exact_Mass	327.1237359
23661014	Molecular_Weight	434.9
163201191	Undefined_Atom_Stereo_Count	2
44531649	Covalent_Unit_Count	1
32326	Total_Formal_Charge	0
78916	Non-hydrogen_Atom_Count	30
11544170	XLogP3-AA	4.1
11431912	Hydrogen_Bond_Donor_Count	2
10219408	Defined_Atom_Stereo_Count	0
18728	Molecular_Weight	427.80
12149454	Covalent_Unit_Count	2
5494449	Mono_Isotopic_Weight	464.21067872
140203	Isotope_Atom_Count	0
102069	Exact_Mass	422.272199093
76223940	Undefined_Bond_Stereo_Count	0
62904	Hydrogen_Bond_Acceptor_Count	8
500460	Hydrogen_Bond_Donor_Count	0
5284627	Structure_Complexity	556
8614	Mono_Isotopic_Weight	304.95489
445114	Tautomer_Count	4
13803506	Undefined_Atom_Stereo_Count	0
528405	Isotope_Atom_Count	0
5249080	Defined_Bond_Stereo_Count	0
65679	TPSA	105
11708045	Molecular_Weight	73.05
142739236	Isotope_Atom_Count	0
25116	Molecular_Weight	212.67
16040270	Exact_Mass	194.134502709
15553	Exact_Mass	190.9540837
4168142	Isotope_Atom_Count	0
114416774	Mono_Isotopic_Weight	108.068748264
146049044	Structure_Complexity	96.3
20219	Undefined_Atom_Stereo_Count	0
4595	Hydrogen_Bond_Donor_Count	0
10219396	Hydrogen_Bond_Acceptor_Count	2
5353970	Non-hydrogen_Atom_Count	37
16212959	Hydrogen_Bond_Acceptor_Count	6
7341	Molecular_Weight	116.16
4534	Undefined_Atom_Stereo_Count	2
17997105	Structure_Complexity	91.7
11789033	Rotatable_Bond_Count	4
13391464	Exact_Mass	229.06987046
688492	Hydrogen_Bond_Donor_Count	1
3082052	Covalent_Unit_Count	1
54428	Molecular_Weight	360.9
13113267	Molecular_Weight	112.17
6498	Rotatable_Bond_Count	0
6439420	Isotope_Atom_Count	0
102003559	Exact_Mass	1438.56054879
70838	Rotatable_Bond_Count	4
154825180	Isotope_Atom_Count	0
13635047	XLogP3-AA	0.2
42623223	Total_Formal_Charge	0
5083	Defined_Bond_Stereo_Count	0
24864462	Undefined_Bond_Stereo_Count	0
53632493	Mono_Isotopic_Weight	100.052429494
71573986	Structure_Complexity	873
57888	Hydrogen_Bond_Donor_Count	2
6154	Non-hydrogen_Atom_Count	27
90547	Covalent_Unit_Count	2
82419	Covalent_Unit_Count	1
253762	Molecular_Weight	100.12
54020983	Non-hydrogen_Atom_Count	9
14307964	Molecular_Weight	102.13
25799416	Defined_Bond_Stereo_Count	0
62709	Tautomer_Count	1
51357127	Structure_Complexity	614
9866186	Defined_Bond_Stereo_Count	1
12622744	Hydrogen_Bond_Donor_Count	0
70789955	Total_Formal_Charge	0
66297	TPSA	0
10866290	Exact_Mass	111.104799419
246	Molecular_Weight	370.5
107641	Non-hydrogen_Atom_Count	22
72518	Exact_Mass	528.16316171
8	Undefined_Atom_Stereo_Count	2
24901211	Mono_Isotopic_Weight	493.20352765
18801784	Isotope_Atom_Count	0
17036	Mono_Isotopic_Weight	327.18344366
87250	XLogP3	3.2
447715	Tautomer_Count	1
21407	Hydrogen_Bond_Donor_Count	1
58655	Hydrogen_Bond_Donor_Count	4
53316380	Structure_Complexity	380
9778	TPSA	0
129395999	Undefined_Bond_Stereo_Count	0
713762	Defined_Atom_Stereo_Count	0
132519	Structure_Complexity	554
364849	Undefined_Bond_Stereo_Count	0
65013	Defined_Bond_Stereo_Count	0
21271257	Covalent_Unit_Count	1
70715	Total_Formal_Charge	0
3366	Non-hydrogen_Atom_Count	9
3827	Mono_Isotopic_Weight	309.11873540
2130	Total_Formal_Charge	0
87645235	Defined_Atom_Stereo_Count	0
163548545	Non-hydrogen_Atom_Count	8
963699	Exact_Mass	289.0869564
55285271	Rotatable_Bond_Count	1
97944	Tautomer_Count	1
156599239	Hydrogen_Bond_Acceptor_Count	3
446596	Rotatable_Bond_Count	17
15945857	Exact_Mass	387.16952493
7085	Rotatable_Bond_Count	1
637497	Hydrogen_Bond_Donor_Count	2
6232	Defined_Atom_Stereo_Count	0
569599	TPSA	79.5
135121698	Molecular_Weight	104.07
637932	Mono_Isotopic_Weight	84.05512859
153767626	Covalent_Unit_Count	1
37901	Structure_Complexity	520
414243	Structure_Complexity	72.8
54496446	Undefined_Atom_Stereo_Count	1
135515430	Hydrogen_Bond_Donor_Count	1
36422	Isotope_Atom_Count	0
101100163	Undefined_Bond_Stereo_Count	0
3038498	Mono_Isotopic_Weight	288.11266076
133640201	Defined_Bond_Stereo_Count	1
21180574	Defined_Bond_Stereo_Count	0
12231415	Rotatable_Bond_Count	1
9002	Rotatable_Bond_Count	2
23724509	Mono_Isotopic_Weight	1021.47316054
70615	Total_Formal_Charge	0
12757499	Hydrogen_Bond_Donor_Count	0
16038399	Total_Formal_Charge	0
6433	Defined_Atom_Stereo_Count	0
20486	Mono_Isotopic_Weight	421.9782500
71759	Defined_Atom_Stereo_Count	0
71072050	Structure_Complexity	644
23670770	Tautomer_Count	2
71530	XLogP3-AA	3.8
4538	Total_Formal_Charge	0
10560335	Undefined_Bond_Stereo_Count	0
94176	Hydrogen_Bond_Acceptor_Count	4
66263	Hydrogen_Bond_Donor_Count	1
10066275	Rotatable_Bond_Count	3
71750923	Isotope_Atom_Count	0
22175537	Defined_Bond_Stereo_Count	0
9874175	Defined_Atom_Stereo_Count	1
11554076	XLogP3-AA	2.4
6436148	Defined_Atom_Stereo_Count	7
82202	Exact_Mass	115.97544247
3468	XLogP3-AA	4.9
79811	Defined_Atom_Stereo_Count	0
87663190	Hydrogen_Bond_Donor_Count	0
520326	Rotatable_Bond_Count	6
408964	Defined_Bond_Stereo_Count	0
133556498	Mono_Isotopic_Weight	620.23163518
25015677	Undefined_Atom_Stereo_Count	0
9090	Molecular_Weight	160.3
15953	Total_Formal_Charge	0
89206022	Hydrogen_Bond_Donor_Count	4
30541	TPSA	29.5
134826477	Structure_Complexity	1180
313325	Hydrogen_Bond_Donor_Count	7
214347	Molecular_Weight	329.4
208922	Rotatable_Bond_Count	4
157610150	Undefined_Atom_Stereo_Count	2
44342925	Defined_Atom_Stereo_Count	2
9823454	XLogP3-AA	4.2
11672491	Total_Formal_Charge	0
7415	Covalent_Unit_Count	1
25192275	Molecular_Weight	447.5
4739617	Isotope_Atom_Count	0
85979179	Hydrogen_Bond_Acceptor_Count	2
86498	Hydrogen_Bond_Acceptor_Count	8
439215	Defined_Atom_Stereo_Count	4
16637	Hydrogen_Bond_Acceptor_Count	1
3084091	Defined_Atom_Stereo_Count	12
41575	TPSA	66.4
3173542	Hydrogen_Bond_Donor_Count	0
54601151	Defined_Atom_Stereo_Count	6
45040472	Defined_Bond_Stereo_Count	0
3082780	TPSA	32.3
5372683	Hydrogen_Bond_Donor_Count	1
86118188	Rotatable_Bond_Count	3
67556876	Exact_Mass	388.29774513
11400746	Hydrogen_Bond_Acceptor_Count	3
14378821	Exact_Mass	100.052429494
37767	TPSA	104
136750	Defined_Atom_Stereo_Count	0
68079	Undefined_Bond_Stereo_Count	0
1570	Isotope_Atom_Count	0
21336418	Hydrogen_Bond_Donor_Count	0
528407	Isotope_Atom_Count	0
4552223	Total_Formal_Charge	0
519726	Molecular_Weight	111.15
12416832	Isotope_Atom_Count	0
97724	Molecular_Weight	154.21
10246701	Mono_Isotopic_Weight	341.17394160
13794998	Undefined_Atom_Stereo_Count	0
40029	XLogP3-AA	3.8
54353190	Covalent_Unit_Count	1
9955534	Hydrogen_Bond_Donor_Count	2
8560	Undefined_Bond_Stereo_Count	0
6883	XLogP3	1.3
4649	Exact_Mass	153.042593085
92089	Molecular_Weight	349.4
1211	Undefined_Atom_Stereo_Count	2
3791919	XLogP3-AA	0
8522	Exact_Mass	313.99161
13302066	Rotatable_Bond_Count	3
18601660	Isotope_Atom_Count	0
57441855	Structure_Complexity	578
6921	Hydrogen_Bond_Acceptor_Count	3
34170	Exact_Mass	150.068079557
66954934	Hydrogen_Bond_Acceptor_Count	1
55286536	Mono_Isotopic_Weight	113.058911855
119097293	Covalent_Unit_Count	1
11688573	Hydrogen_Bond_Acceptor_Count	4
18596	TPSA	40.1
6358	Defined_Atom_Stereo_Count	0
317940	Undefined_Bond_Stereo_Count	0
21643653	Isotope_Atom_Count	0
6918204	Rotatable_Bond_Count	29
101554	Rotatable_Bond_Count	1
131704172	Isotope_Atom_Count	0
53903478	Isotope_Atom_Count	0
57385877	Mono_Isotopic_Weight	369.24162724
14626857	Covalent_Unit_Count	1
55560	Mono_Isotopic_Weight	554.33558719
71583159	Structure_Complexity	676
616651	Isotope_Atom_Count	0
12754519	Isotope_Atom_Count	0
44571187	Isotope_Atom_Count	0
11256720	Isotope_Atom_Count	0
126969054	Covalent_Unit_Count	1
4470790	Exact_Mass	356.10083623
61945	Exact_Mass	140.04081944
71713948	Hydrogen_Bond_Donor_Count	2
135564773	Rotatable_Bond_Count	3
18361854	Total_Formal_Charge	0
15853020	XLogP3-AA	0.3
15504	TPSA	0
57109318	Rotatable_Bond_Count	0
6293	Undefined_Atom_Stereo_Count	0
71448903	Mono_Isotopic_Weight	851.17272513
87279497	Hydrogen_Bond_Donor_Count	4
154474669	Mono_Isotopic_Weight	99.068413911
5360970	TPSA	58.9
91453	Exact_Mass	430.30830982
11957684	Isotope_Atom_Count	0
44229138	TPSA	77.3
11249342	Undefined_Bond_Stereo_Count	0
2763078	Undefined_Bond_Stereo_Count	0
448965	Undefined_Atom_Stereo_Count	0
71720675	Rotatable_Bond_Count	4
2782201	Mono_Isotopic_Weight	255.07317976
4132	Covalent_Unit_Count	1
3140955	Undefined_Bond_Stereo_Count	0
120507	Undefined_Atom_Stereo_Count	0
141407440	Defined_Bond_Stereo_Count	0
6708461	Structure_Complexity	1370
18719616	Hydrogen_Bond_Acceptor_Count	3
3806	Covalent_Unit_Count	1
4832	XLogP3-AA	3.6
5311010	Structure_Complexity	1770
72171	Undefined_Bond_Stereo_Count	0
54285331	Mono_Isotopic_Weight	96.057514874
30295	Structure_Complexity	219
14815775	Rotatable_Bond_Count	0
1490119	Defined_Bond_Stereo_Count	0
9808235	Hydrogen_Bond_Donor_Count	0
3283968	Structure_Complexity	74.1
53462828	Structure_Complexity	822
12967	Exact_Mass	117.053826475
101267493	Non-hydrogen_Atom_Count	46
75043	Non-hydrogen_Atom_Count	13
4048	Covalent_Unit_Count	1
156963480	XLogP3-AA	1.8
47811	Defined_Bond_Stereo_Count	0
5282340	Tautomer_Count	1
10267	Undefined_Bond_Stereo_Count	0
83679654	Rotatable_Bond_Count	1
202519	Exact_Mass	346.21440943
123875607	XLogP3-AA	0.1
90479798	Defined_Bond_Stereo_Count	0
77680	Undefined_Bond_Stereo_Count	0
4201	Exact_Mass	209.12766012
7098630	Mono_Isotopic_Weight	342.11621151
122239	Hydrogen_Bond_Donor_Count	1
70989	Exact_Mass	173.084063974
54046888	TPSA	31.2
165367979	Hydrogen_Bond_Donor_Count	12
25142175	Hydrogen_Bond_Donor_Count	2
135435111	Isotope_Atom_Count	0
8368	Exact_Mass	159.9846556
159289	Mono_Isotopic_Weight	333.08956053
16220172	Undefined_Atom_Stereo_Count	0
54727975	Rotatable_Bond_Count	4
16212950	Rotatable_Bond_Count	47
17831	Defined_Bond_Stereo_Count	0
439918	Exact_Mass	175.05930578
69004	Covalent_Unit_Count	1
55840	Defined_Bond_Stereo_Count	0
135618566	Covalent_Unit_Count	1
39752	Defined_Atom_Stereo_Count	0
122077	Non-hydrogen_Atom_Count	28
88983	Mono_Isotopic_Weight	226.13174244
85255	Molecular_Weight	252.33
77463	TPSA	9.7
74440	Isotope_Atom_Count	0
2734172	Molecular_Weight	199.72
1424	Hydrogen_Bond_Donor_Count	2
5311024	Defined_Bond_Stereo_Count	0
5748352	Exact_Mass	892.5353131
36401	Isotope_Atom_Count	0
7029	Total_Formal_Charge	0
21121497	Defined_Bond_Stereo_Count	0
5281794	TPSA	46.5
77345	Undefined_Atom_Stereo_Count	0
2456	Isotope_Atom_Count	0
51357124	Hydrogen_Bond_Acceptor_Count	5
625	Rotatable_Bond_Count	8
448812	Non-hydrogen_Atom_Count	57
529031	Rotatable_Bond_Count	1
18600	Exact_Mass	458.060754
70719	Molecular_Weight	109.13
7566942	Structure_Complexity	382
53807546	Isotope_Atom_Count	0
86138	Mono_Isotopic_Weight	336.1141743
5491612	Covalent_Unit_Count	1
12546243	Rotatable_Bond_Count	0
19787449	Structure_Complexity	115
37517	Non-hydrogen_Atom_Count	21
139348436	Isotope_Atom_Count	0
77011628	Molecular_Weight	101.10
681274	Defined_Atom_Stereo_Count	0
130128864	Hydrogen_Bond_Acceptor_Count	2
8580	Total_Formal_Charge	0
7171	Undefined_Atom_Stereo_Count	1
136648	Tautomer_Count	1
137295275	Exact_Mass	1029.60248569
1549992	Tautomer_Count	1
7238	Hydrogen_Bond_Acceptor_Count	0
91563	Undefined_Bond_Stereo_Count	0
70299	Molecular_Weight	172.56
53	Isotope_Atom_Count	0
138107	Undefined_Bond_Stereo_Count	0
68022407	Undefined_Bond_Stereo_Count	0
131668418	Exact_Mass	326.24570956
34409	Non-hydrogen_Atom_Count	26
20062226	Total_Formal_Charge	0
37508	Hydrogen_Bond_Donor_Count	0
439468	Exact_Mass	579.89504254
5363858	Molecular_Weight	198.26
159325	Tautomer_Count	1
6097177	Hydrogen_Bond_Acceptor_Count	6
5283134	Exact_Mass	625.30330126
71825	Hydrogen_Bond_Donor_Count	1
669019	TPSA	54.6
551491	Defined_Atom_Stereo_Count	0
11852355	Molecular_Weight	376.5
135738851	Hydrogen_Bond_Donor_Count	7
42762	Defined_Bond_Stereo_Count	0
13015	Mono_Isotopic_Weight	137.0032268
8106	Defined_Bond_Stereo_Count	0
6777	Non-hydrogen_Atom_Count	24
48040	Mono_Isotopic_Weight	388.1917559
11586912	Rotatable_Bond_Count	4
85999939	Mono_Isotopic_Weight	107.073499291
13019052	Mono_Isotopic_Weight	416.32904526
794	TPSA	83
44119608	Hydrogen_Bond_Donor_Count	1
1548887	Isotope_Atom_Count	0
103023	Covalent_Unit_Count	1
6713	Hydrogen_Bond_Acceptor_Count	5
5826113	Exact_Mass	370.21574685
673647	Non-hydrogen_Atom_Count	12
43184	Total_Formal_Charge	0
138395106	Non-hydrogen_Atom_Count	85
102262612	Structure_Complexity	514
16051942	Hydrogen_Bond_Donor_Count	1
56955286	Non-hydrogen_Atom_Count	28
138752609	Total_Formal_Charge	0
9870185	TPSA	90.9
62354	Non-hydrogen_Atom_Count	44
82711397	Rotatable_Bond_Count	1
10219	TPSA	52.2
11539562	Rotatable_Bond_Count	4
7045767	Defined_Bond_Stereo_Count	0
10246085	Total_Formal_Charge	0
22168583	Total_Formal_Charge	0
3567443	Mono_Isotopic_Weight	231.100776666
292661	Rotatable_Bond_Count	0
67248272	TPSA	46.2
15927	Tautomer_Count	1
24154	Defined_Bond_Stereo_Count	0
16180	Defined_Bond_Stereo_Count	0
9848628	Total_Formal_Charge	0
596336	Rotatable_Bond_Count	2
590908	Total_Formal_Charge	0
90444	Total_Formal_Charge	0
57465453	XLogP3-AA	1
535532	Covalent_Unit_Count	1
6427476	Total_Formal_Charge	0
22379495	Undefined_Atom_Stereo_Count	0
6762	Total_Formal_Charge	0
22661080	Total_Formal_Charge	0
548545	Total_Formal_Charge	0
133621	Isotope_Atom_Count	0
6852400	Molecular_Weight	398.0
60921	Structure_Complexity	979
67669	Hydrogen_Bond_Donor_Count	0
1899	Undefined_Bond_Stereo_Count	0
11850698	Rotatable_Bond_Count	6
67054	Undefined_Atom_Stereo_Count	0
16212959	Defined_Atom_Stereo_Count	4
14967651	Undefined_Bond_Stereo_Count	0
79069	Tautomer_Count	1
27123	Rotatable_Bond_Count	7
240	Defined_Atom_Stereo_Count	0
23667636	Isotope_Atom_Count	1
21460	Total_Formal_Charge	0
16051495	Non-hydrogen_Atom_Count	31
9892539	Undefined_Bond_Stereo_Count	0
9903853	Total_Formal_Charge	0
5086465	Defined_Bond_Stereo_Count	0
3719	Structure_Complexity	707
136874	Structure_Complexity	68.5
91865076	Undefined_Bond_Stereo_Count	0
954673	Structure_Complexity	360
83287	TPSA	18.5
753050	XLogP3-AA	3.9
4284	Hydrogen_Bond_Donor_Count	0
731361	Mono_Isotopic_Weight	315.14053348
107327	Non-hydrogen_Atom_Count	16
65456803	Molecular_Weight	100.16
12576852	Structure_Complexity	74.4
2775941	Undefined_Bond_Stereo_Count	0
61235	Covalent_Unit_Count	1
91202	Covalent_Unit_Count	1
123630	Hydrogen_Bond_Donor_Count	1
20811708	XLogP3-AA	1.6
123071	Hydrogen_Bond_Acceptor_Count	4
215932	Hydrogen_Bond_Donor_Count	1
49769064	Structure_Complexity	1340
631779	Mono_Isotopic_Weight	352.101702159
135398560	TPSA	204
3037233	Non-hydrogen_Atom_Count	32
5713976	Hydrogen_Bond_Acceptor_Count	3
11469057	Covalent_Unit_Count	1
527568	Molecular_Weight	94.15
196396	Mono_Isotopic_Weight	538.1765170
67916	Undefined_Atom_Stereo_Count	0
67075765	Undefined_Bond_Stereo_Count	0
6999977	XLogP3-AA	1.1
85708088	Non-hydrogen_Atom_Count	8
688356	Total_Formal_Charge	0
80385	Total_Formal_Charge	0
16692	Molecular_Weight	403.7
117867	Isotope_Atom_Count	0
33498	Isotope_Atom_Count	0
8795	Covalent_Unit_Count	1
150929	Hydrogen_Bond_Donor_Count	3
8551	Rotatable_Bond_Count	1
44468216	Rotatable_Bond_Count	2
10989	Mono_Isotopic_Weight	158.167065321
136305445	Exact_Mass	114.00654193
118689593	Undefined_Atom_Stereo_Count	1
25522	Exact_Mass	324.183778013
171808	Total_Formal_Charge	0
2728270	Hydrogen_Bond_Donor_Count	1
522216	Isotope_Atom_Count	0
11539725	Isotope_Atom_Count	0
11979316	Defined_Atom_Stereo_Count	0
18546557	Isotope_Atom_Count	0
11281445	Mono_Isotopic_Weight	415.17433553
27368	Non-hydrogen_Atom_Count	19
72402	Exact_Mass	363.12190603
91713	Non-hydrogen_Atom_Count	37
8072	Structure_Complexity	23.5
75821	Total_Formal_Charge	0
3763520	Rotatable_Bond_Count	3
439811	Rotatable_Bond_Count	3
87682885	Rotatable_Bond_Count	1
138813	XLogP3-AA	0.9
23661981	Defined_Atom_Stereo_Count	0
157568	Hydrogen_Bond_Acceptor_Count	2
175967	Structure_Complexity	627
12364784	XLogP3-AA	0.7
53415109	Undefined_Bond_Stereo_Count	1
16807	Undefined_Bond_Stereo_Count	0
129009972	Undefined_Bond_Stereo_Count	0
16170	Mono_Isotopic_Weight	331.1339066
267449	Molecular_Weight	286.32
23897	Structure_Complexity	354
444863	Defined_Bond_Stereo_Count	0
42291	Defined_Atom_Stereo_Count	0
5319	Exact_Mass	276.05686342
75755	Undefined_Bond_Stereo_Count	0
14027329	Non-hydrogen_Atom_Count	8
74470	Undefined_Atom_Stereo_Count	0
7530	TPSA	9.2
59105109	Hydrogen_Bond_Acceptor_Count	6
4369080	Mono_Isotopic_Weight	427.01960774
16767378	Structure_Complexity	175
5104	Rotatable_Bond_Count	1
11303	Isotope_Atom_Count	0
24916942	Hydrogen_Bond_Acceptor_Count	8
57871279	Undefined_Atom_Stereo_Count	2
10964	Mono_Isotopic_Weight	72.021129366
5282360	Non-hydrogen_Atom_Count	21
9930049	Defined_Atom_Stereo_Count	3
33478	Rotatable_Bond_Count	9
76959818	Total_Formal_Charge	1
138122	Undefined_Bond_Stereo_Count	0
923638	Structure_Complexity	400
7777	Isotope_Atom_Count	0
59173	Defined_Bond_Stereo_Count	0
16224	XLogP3	4.2
4514	Tautomer_Count	2
44401271	Covalent_Unit_Count	1
434207	Mono_Isotopic_Weight	342.04795251
171829	Exact_Mass	293.847903
9500	Defined_Bond_Stereo_Count	0
72943	XLogP3-AA	6.1
53317131	TPSA	78.3
95064	Molecular_Weight	211.34
71949	Molecular_Weight	461.8
14373	Hydrogen_Bond_Acceptor_Count	2
93162	Defined_Bond_Stereo_Count	0
9354	Hydrogen_Bond_Donor_Count	4
123467456	Structure_Complexity	72.9
11689	Tautomer_Count	5
9841240	Mono_Isotopic_Weight	348.14739250
703128	Isotope_Atom_Count	0
11960529	Exact_Mass	244.13241115
96922	Mono_Isotopic_Weight	114.02516937
12672	Undefined_Atom_Stereo_Count	0
12663409	Hydrogen_Bond_Acceptor_Count	0
2733293	Covalent_Unit_Count	1
18956015	Non-hydrogen_Atom_Count	8
24901348	Exact_Mass	531.1150183
222155	Molecular_Weight	548.7
5356697	Hydrogen_Bond_Acceptor_Count	1
6432903	Mono_Isotopic_Weight	204.115029749
106824195	Hydrogen_Bond_Donor_Count	0
9351	TPSA	63.8
6364620	Undefined_Atom_Stereo_Count	5
68869	Covalent_Unit_Count	1
44453028	Exact_Mass	534.21547206
80694	Undefined_Bond_Stereo_Count	0
3540	Covalent_Unit_Count	1
119828	XLogP3-AA	3.3
155290	Total_Formal_Charge	0
12428018	Structure_Complexity	120
78896	Covalent_Unit_Count	1
89416	Defined_Bond_Stereo_Count	0
15438	Covalent_Unit_Count	1
21336418	Isotope_Atom_Count	0
1219914	Undefined_Atom_Stereo_Count	0
67126	Defined_Bond_Stereo_Count	0
21058171	Defined_Atom_Stereo_Count	0
44144517	Rotatable_Bond_Count	2
61341	TPSA	30.2
70783	Covalent_Unit_Count	1
15496999	Exact_Mass	97.052763847
674879	Isotope_Atom_Count	0
9823224	Non-hydrogen_Atom_Count	30
6623	Exact_Mass	228.115029749
2132	Hydrogen_Bond_Donor_Count	3
13506	Tautomer_Count	3
40459111	Structure_Complexity	370
86498	Non-hydrogen_Atom_Count	26
87203	Covalent_Unit_Count	1
36920	Hydrogen_Bond_Acceptor_Count	4
11700696	Defined_Atom_Stereo_Count	0
71362	Non-hydrogen_Atom_Count	96
11635721	Molecular_Weight	596.8
6386307	Covalent_Unit_Count	1
5367415	Isotope_Atom_Count	0
5808883	Defined_Atom_Stereo_Count	0
9570290	XLogP3	4.4
65410	Undefined_Atom_Stereo_Count	2
1516505	Total_Formal_Charge	0
5496539	Total_Formal_Charge	1
527511	Hydrogen_Bond_Acceptor_Count	0
71541177	Structure_Complexity	522
11636	Total_Formal_Charge	0
681701	Undefined_Bond_Stereo_Count	1
11482181	Hydrogen_Bond_Acceptor_Count	4
18506428	Hydrogen_Bond_Donor_Count	2
19876500	Hydrogen_Bond_Donor_Count	0
3710	Defined_Bond_Stereo_Count	0
42302	TPSA	46.2
585	Defined_Bond_Stereo_Count	0
121827	Total_Formal_Charge	0
136069	Defined_Bond_Stereo_Count	0
12085802	Defined_Atom_Stereo_Count	5
1639	Total_Formal_Charge	0
71323	Tautomer_Count	2
637892	Defined_Bond_Stereo_Count	1
10272953	Structure_Complexity	757
135398508	Isotope_Atom_Count	0
13792372	Mono_Isotopic_Weight	102.068079557
22344	Mono_Isotopic_Weight	219.847482
7364	XLogP3	1
101305714	Exact_Mass	885.48745594
79076	Undefined_Atom_Stereo_Count	1
2774635	TPSA	12.9
91267	Isotope_Atom_Count	0
171995	Total_Formal_Charge	0
53677339	Defined_Bond_Stereo_Count	0
163829	Tautomer_Count	1001
23663979	Defined_Atom_Stereo_Count	4
87279973	Exact_Mass	111.032028402
20035332	Mono_Isotopic_Weight	84.057514874
5189	TPSA	112
145454105	TPSA	193
163640634	Molecular_Weight	114.15
24149	Isotope_Atom_Count	0
517827	Total_Formal_Charge	0
14040	Total_Formal_Charge	0
548	Hydrogen_Bond_Donor_Count	3
13445099	Undefined_Atom_Stereo_Count	0
92866	Undefined_Atom_Stereo_Count	1
54136224	TPSA	41.8
23667639	Undefined_Atom_Stereo_Count	0
89976630	XLogP3-AA	1
126968498	Defined_Bond_Stereo_Count	0
21853	Total_Formal_Charge	0
193653	Hydrogen_Bond_Donor_Count	3
63016	Non-hydrogen_Atom_Count	31
6000	Covalent_Unit_Count	1
7697	Tautomer_Count	1
70257	XLogP3-AA	3.5
71455276	Undefined_Bond_Stereo_Count	0
3050432	XLogP3-AA	2.9
11908488	Defined_Atom_Stereo_Count	10
10715	Undefined_Bond_Stereo_Count	0
138106567	Exact_Mass	1322.0938467
129868321	Defined_Atom_Stereo_Count	0
10044792	Molecular_Weight	372.4
11962616	Exact_Mass	460.21736377
20838642	Isotope_Atom_Count	0
5273569	Defined_Atom_Stereo_Count	0
13019047	Isotope_Atom_Count	0
78847	Non-hydrogen_Atom_Count	11
61101	Hydrogen_Bond_Acceptor_Count	8
54178371	Rotatable_Bond_Count	1
13203	Rotatable_Bond_Count	0
151205	Total_Formal_Charge	0
5365794	Exact_Mass	226.193280068
2729	TPSA	28.5
49766037	Mono_Isotopic_Weight	111.068413911
14443	Exact_Mass	428.23112213
5282180	Undefined_Atom_Stereo_Count	0
67016	Defined_Atom_Stereo_Count	0
123519634	Non-hydrogen_Atom_Count	8
12578535	Defined_Bond_Stereo_Count	0
84647603	Defined_Bond_Stereo_Count	0
9984374	Hydrogen_Bond_Acceptor_Count	12
9877746	Covalent_Unit_Count	1
135399895	Non-hydrogen_Atom_Count	8
11178236	Defined_Atom_Stereo_Count	0
135394876	Isotope_Atom_Count	0
40466957	Total_Formal_Charge	0
5356789	Isotope_Atom_Count	0
10084648	XLogP3-AA	3.5
139595999	Undefined_Atom_Stereo_Count	3
87255468	TPSA	229
21225563	Isotope_Atom_Count	0
12749	XLogP3	0.2
2750	TPSA	80.7
39494	Exact_Mass	345.1607901
643990	Structure_Complexity	1320
57304791	Undefined_Bond_Stereo_Count	0
23545554	Exact_Mass	112.052429494
11263492	Isotope_Atom_Count	0
118388035	Hydrogen_Bond_Donor_Count	2
197998	Total_Formal_Charge	0
34312	Hydrogen_Bond_Acceptor_Count	2
73604	Defined_Bond_Stereo_Count	0
5460819	Total_Formal_Charge	1
129668601	Molecular_Weight	145.12
1481733	Hydrogen_Bond_Donor_Count	2
132471895	Isotope_Atom_Count	0
10167713	XLogP3-AA	5
23689980	Molecular_Weight	118.09
12435	Undefined_Atom_Stereo_Count	0
19217	Defined_Atom_Stereo_Count	0
3613700	XLogP3	1.9
56680334	Structure_Complexity	694
74600475	Hydrogen_Bond_Donor_Count	3
142123799	TPSA	32.3
8532	Rotatable_Bond_Count	0
1229	Hydrogen_Bond_Donor_Count	1
119499	Non-hydrogen_Atom_Count	13
657014	Non-hydrogen_Atom_Count	11
21673601	Hydrogen_Bond_Donor_Count	1
49864532	Mono_Isotopic_Weight	343.1199879
21945716	Hydrogen_Bond_Acceptor_Count	1
119096546	Molecular_Weight	116.11
162955687	Mono_Isotopic_Weight	342.11621151
86592	Defined_Bond_Stereo_Count	0
647120	Hydrogen_Bond_Acceptor_Count	5
539829	TPSA	52.6
92763	Covalent_Unit_Count	1
52941030	TPSA	91.7
21192690	Hydrogen_Bond_Donor_Count	1
53773588	Undefined_Atom_Stereo_Count	0
55397	Structure_Complexity	243
4707	Defined_Atom_Stereo_Count	0
12360	Covalent_Unit_Count	1
9256	Isotope_Atom_Count	0
4580	Structure_Complexity	608
12217061	XLogP3-AA	0.4
10887834	Undefined_Atom_Stereo_Count	0
86467	Defined_Atom_Stereo_Count	0
65064	Total_Formal_Charge	0
114849	Mono_Isotopic_Weight	131.069476538
153665501	TPSA	0
190291	Undefined_Atom_Stereo_Count	0
11002	Covalent_Unit_Count	1
19675	Non-hydrogen_Atom_Count	29
87098264	Exact_Mass	189.94322646
220878	Non-hydrogen_Atom_Count	7
117717938	Structure_Complexity	382
41245	Defined_Atom_Stereo_Count	0
2647	Exact_Mass	365.10454189
67473	Total_Formal_Charge	0
6432709	Total_Formal_Charge	0
11285	Rotatable_Bond_Count	1
5282375	Exact_Mass	354.21949481
135566455	Hydrogen_Bond_Donor_Count	5
13293130	XLogP3-AA	0
57545	Isotope_Atom_Count	0
7510	Hydrogen_Bond_Acceptor_Count	2
164179927	TPSA	95.7
139062654	Rotatable_Bond_Count	4
73285	Hydrogen_Bond_Donor_Count	0
13559281	Hydrogen_Bond_Acceptor_Count	4
5282416	Structure_Complexity	507
12305986	Rotatable_Bond_Count	0
68890784	Isotope_Atom_Count	0
11073365	Defined_Bond_Stereo_Count	0
11788287	Covalent_Unit_Count	1
5281071	XLogP3	1.5
25953	Defined_Bond_Stereo_Count	0
69333963	Hydrogen_Bond_Acceptor_Count	2
54393203	Total_Formal_Charge	0
96269	Hydrogen_Bond_Donor_Count	0
171284	Hydrogen_Bond_Acceptor_Count	13
20590622	Rotatable_Bond_Count	0
24848261	Hydrogen_Bond_Acceptor_Count	4
21791633	Covalent_Unit_Count	1
8168	Rotatable_Bond_Count	11
24314	Covalent_Unit_Count	1
11671	Isotope_Atom_Count	0
18779032	Undefined_Atom_Stereo_Count	0
7888	Molecular_Weight	172.26
6093	Structure_Complexity	268
88937798	XLogP3-AA	0.4
104741	TPSA	76.7
14577080	Molecular_Weight	285.8
68129	Molecular_Weight	112.08
829795	TPSA	101
48432	Undefined_Atom_Stereo_Count	0
16109396	XLogP3-AA	2.6
10390	XLogP3	4.8
31068	Undefined_Atom_Stereo_Count	1
23688976	Non-hydrogen_Atom_Count	14
206311	Defined_Atom_Stereo_Count	2
3009	Defined_Atom_Stereo_Count	0
10306	XLogP3-AA	3.3
22065216	Molecular_Weight	83.05
10393	Isotope_Atom_Count	0
2536	Molecular_Weight	398.4
19938019	Undefined_Atom_Stereo_Count	0
79717	Undefined_Atom_Stereo_Count	0
71583044	Undefined_Atom_Stereo_Count	0
7757	Non-hydrogen_Atom_Count	8
737	Hydrogen_Bond_Donor_Count	7
908836	Isotope_Atom_Count	0
73415798	Covalent_Unit_Count	3
49862626	Defined_Bond_Stereo_Count	0
67242154	Structure_Complexity	113
2077	Total_Formal_Charge	0
16097729	Non-hydrogen_Atom_Count	38
10555851	Total_Formal_Charge	0
10331	Isotope_Atom_Count	0
16412	TPSA	28.3
24825253	XLogP3-AA	6.8
162059	Structure_Complexity	110
1696	Molecular_Weight	202.19
6829	Tautomer_Count	1
8759	Exact_Mass	336.05455397
22812306	Defined_Bond_Stereo_Count	0
55560	Molecular_Weight	554.7
13327	Non-hydrogen_Atom_Count	25
101321425	Undefined_Atom_Stereo_Count	1
101602	Defined_Bond_Stereo_Count	0
89133905	Hydrogen_Bond_Donor_Count	1
319344	TPSA	42
6710735	Undefined_Atom_Stereo_Count	0
22099238	Isotope_Atom_Count	0
9539	Undefined_Atom_Stereo_Count	0
10466809	Mono_Isotopic_Weight	240.11234441
37142	Tautomer_Count	1
58087	Mono_Isotopic_Weight	388.0210617
10038849	Hydrogen_Bond_Donor_Count	1
32154	Defined_Bond_Stereo_Count	0
19357220	Non-hydrogen_Atom_Count	8
8264	Exact_Mass	154.06712817
82412	Defined_Atom_Stereo_Count	0
9895247	Defined_Bond_Stereo_Count	0
2723598	Tautomer_Count	2
10407	Exact_Mass	204.187800766
15950518	Isotope_Atom_Count	0
15432	Exact_Mass	391.19546489
11703161	Covalent_Unit_Count	3
9913	Tautomer_Count	1
5687	Molecular_Weight	297.31
20387216	Non-hydrogen_Atom_Count	8
472181	Defined_Bond_Stereo_Count	0
6169	Defined_Atom_Stereo_Count	5
23	Hydrogen_Bond_Donor_Count	3
21953621	Mono_Isotopic_Weight	316.09468823
628370	Undefined_Atom_Stereo_Count	0
51030984	XLogP3-AA	2
7945	XLogP3-AA	1.7
11696668	Defined_Bond_Stereo_Count	0
11105340	Undefined_Bond_Stereo_Count	0
70103	Mono_Isotopic_Weight	83.073499291
91248258	Defined_Bond_Stereo_Count	0
163727	Mono_Isotopic_Weight	235.0279174
285129	Total_Formal_Charge	0
67444	Isotope_Atom_Count	0
12305037	Defined_Atom_Stereo_Count	1
9334	TPSA	18.1
9823293	Isotope_Atom_Count	0
12705073	Undefined_Bond_Stereo_Count	0
249502	Structure_Complexity	127
20003	Undefined_Bond_Stereo_Count	0
119432	Covalent_Unit_Count	1
16239	Defined_Atom_Stereo_Count	0
115162	Hydrogen_Bond_Acceptor_Count	7
90571	Isotope_Atom_Count	0
67739711	Exact_Mass	648.36755603
69140538	Defined_Atom_Stereo_Count	0
625305	Undefined_Atom_Stereo_Count	9
10240789	Covalent_Unit_Count	1
28660	Total_Formal_Charge	0
71403949	Undefined_Atom_Stereo_Count	0
141248885	Hydrogen_Bond_Acceptor_Count	2
108156	Hydrogen_Bond_Acceptor_Count	7
146962972	Exact_Mass	97.089149355
138323	Rotatable_Bond_Count	2
5365125	Rotatable_Bond_Count	16
99382	Hydrogen_Bond_Acceptor_Count	0
153884978	Rotatable_Bond_Count	2
123702	Exact_Mass	288.21748344
23683747	TPSA	87.2
16161850	Non-hydrogen_Atom_Count	93
13245	Non-hydrogen_Atom_Count	13
44468216	Total_Formal_Charge	0
42153	Defined_Atom_Stereo_Count	0
20839605	Defined_Atom_Stereo_Count	0
30143	Mono_Isotopic_Weight	250.00847
5924208	TPSA	49.3
71019	Isotope_Atom_Count	0
11974020	XLogP3-AA	3.7
131460	Undefined_Bond_Stereo_Count	0
15129466	Defined_Bond_Stereo_Count	0
45248	Tautomer_Count	4
83763	Rotatable_Bond_Count	2
57609	Defined_Bond_Stereo_Count	0
94217	Undefined_Atom_Stereo_Count	3
37907	Total_Formal_Charge	0
7048634	Structure_Complexity	674
62333	Undefined_Atom_Stereo_Count	2
40459111	Isotope_Atom_Count	0
22628	XLogP3-AA	2.2
96393	Structure_Complexity	97.1
4552	Exact_Mass	362.04899647
70717	Mono_Isotopic_Weight	113.047678466
20465	Hydrogen_Bond_Donor_Count	1
21867279	Defined_Bond_Stereo_Count	0
9903930	Undefined_Atom_Stereo_Count	0
5284443	Defined_Bond_Stereo_Count	0
92965	Isotope_Atom_Count	0
64758	Rotatable_Bond_Count	19
128419	Undefined_Atom_Stereo_Count	0
57392611	Undefined_Bond_Stereo_Count	0
21333560	Molecular_Weight	99.13
165363357	Molecular_Weight	1047.2
21760452	Hydrogen_Bond_Acceptor_Count	3
13072114	Undefined_Atom_Stereo_Count	1
603	Structure_Complexity	273
122172945	Defined_Atom_Stereo_Count	11
15721166	Rotatable_Bond_Count	1
295763	Hydrogen_Bond_Acceptor_Count	3
23662389	Structure_Complexity	670
69402	XLogP3-AA	1.4
544701	Molecular_Weight	100.16
71309905	Isotope_Atom_Count	1
71459165	Rotatable_Bond_Count	3
25201794	Non-hydrogen_Atom_Count	25
129009909	TPSA	231
10343454	Hydrogen_Bond_Donor_Count	1
11750009	Non-hydrogen_Atom_Count	29
9935073	Non-hydrogen_Atom_Count	32
601293	Structure_Complexity	160
16212317	Tautomer_Count	1
16224	Hydrogen_Bond_Acceptor_Count	1
9472	Undefined_Bond_Stereo_Count	0
2734248	Total_Formal_Charge	0
66803155	Covalent_Unit_Count	1
69733	Undefined_Bond_Stereo_Count	0
194670	Hydrogen_Bond_Acceptor_Count	3
69677	Mono_Isotopic_Weight	134.00918253
9287	Rotatable_Bond_Count	2
6919	Structure_Complexity	99.8
1973	Mono_Isotopic_Weight	462.08037
43838	Isotope_Atom_Count	0
59296099	Covalent_Unit_Count	1
448014	TPSA	137
9953887	Isotope_Atom_Count	0
72253	Mono_Isotopic_Weight	303.07325556
66829	Defined_Atom_Stereo_Count	0
116842112	Undefined_Atom_Stereo_Count	2
90227	Undefined_Bond_Stereo_Count	0
4932	Non-hydrogen_Atom_Count	25
12563179	Structure_Complexity	156
9832301	Undefined_Atom_Stereo_Count	0
10068207	Defined_Atom_Stereo_Count	0
59768	Isotope_Atom_Count	0
6435500	Total_Formal_Charge	0
65499	Structure_Complexity	569
55300028	Covalent_Unit_Count	1
10399	Covalent_Unit_Count	1
2823078	Rotatable_Bond_Count	4
8540	Hydrogen_Bond_Donor_Count	1
63418	Molecular_Weight	345.8
97868	XLogP3	1.6
5781	Undefined_Bond_Stereo_Count	0
31677	Hydrogen_Bond_Acceptor_Count	2
441073	Hydrogen_Bond_Acceptor_Count	4
360	Hydrogen_Bond_Acceptor_Count	9
49646	Tautomer_Count	1
9905875	Defined_Atom_Stereo_Count	1
477	Rotatable_Bond_Count	8
11578610	XLogP3-AA	3.9
246219	Defined_Bond_Stereo_Count	0
398641	XLogP3-AA	2.2
143852	Covalent_Unit_Count	1
54697325	Total_Formal_Charge	0
129009973	Hydrogen_Bond_Acceptor_Count	4
85760873	Defined_Atom_Stereo_Count	0
12956086	Undefined_Atom_Stereo_Count	0
12835056	Total_Formal_Charge	0
11906	XLogP3	3.2
22481615	Undefined_Atom_Stereo_Count	2
5328940	Undefined_Atom_Stereo_Count	0
54477013	Structure_Complexity	753
57396951	Mono_Isotopic_Weight	640.25646912
73648	Mono_Isotopic_Weight	388.11581759
7078557	Exact_Mass	410.24570956
120081	Mono_Isotopic_Weight	222.06405680
6710664	Structure_Complexity	540
20055560	Undefined_Bond_Stereo_Count	0
18744	Covalent_Unit_Count	1
139488	Tautomer_Count	2
11393	Exact_Mass	186.068079557
6918309	Isotope_Atom_Count	0
55288256	Undefined_Bond_Stereo_Count	0
24883735	Defined_Bond_Stereo_Count	0
6419898	Molecular_Weight	843.1
46856340	Covalent_Unit_Count	3
61285	Hydrogen_Bond_Donor_Count	1
556498	Mono_Isotopic_Weight	176.120115130
656980	Total_Formal_Charge	0
81627	Structure_Complexity	185
63198	Mono_Isotopic_Weight	252.126263138
941915	Covalent_Unit_Count	1
19621	Tautomer_Count	2
90614	TPSA	87.4
10364560	XLogP3-AA	2
21876618	Molecular_Weight	108.10
3034450	Non-hydrogen_Atom_Count	10
18376592	Defined_Atom_Stereo_Count	0
5064267	Covalent_Unit_Count	1
94424	Defined_Atom_Stereo_Count	0
3393610	Undefined_Bond_Stereo_Count	0
86308574	Undefined_Bond_Stereo_Count	0
24917007	Mono_Isotopic_Weight	220.15488318
6010	Hydrogen_Bond_Acceptor_Count	2
53408681	Rotatable_Bond_Count	1
2520	TPSA	64
4628	Non-hydrogen_Atom_Count	19
130000966	Exact_Mass	101.084063974
63179	Hydrogen_Bond_Acceptor_Count	5
12597	Covalent_Unit_Count	1
22737404	Undefined_Bond_Stereo_Count	0
375860	Tautomer_Count	3
9832136	Undefined_Atom_Stereo_Count	0
5794	Defined_Atom_Stereo_Count	0
17110	Mono_Isotopic_Weight	287.25727730
87155	Mono_Isotopic_Weight	178.062994177
11400741	Defined_Atom_Stereo_Count	0
87446	Rotatable_Bond_Count	0
55329	Molecular_Weight	263.34
31205	Molecular_Weight	388.7
139202519	Molecular_Weight	426.3
10592	TPSA	94.8
6129	Mono_Isotopic_Weight	201.078978594
145755	Rotatable_Bond_Count	0
73943	Mono_Isotopic_Weight	154.02416388
12905096	Rotatable_Bond_Count	1
119058013	Tautomer_Count	6
5484735	Defined_Atom_Stereo_Count	2
74209	Rotatable_Bond_Count	15
67938294	Molecular_Weight	95.10
60740	TPSA	37.3
154103	Hydrogen_Bond_Acceptor_Count	5
439570	Exact_Mass	150.104465066
32933	Non-hydrogen_Atom_Count	19
96356	Exact_Mass	219.9935200
54315893	Defined_Atom_Stereo_Count	0
60060441	Defined_Atom_Stereo_Count	0
4205687	Undefined_Atom_Stereo_Count	0
188583	Covalent_Unit_Count	1
6638	Undefined_Atom_Stereo_Count	0
24643	Defined_Atom_Stereo_Count	0
13350797	Defined_Bond_Stereo_Count	0
25100590	Undefined_Bond_Stereo_Count	0
11587584	Molecular_Weight	306.4
28610	XLogP3-AA	7
69260946	XLogP3-AA	3.6
250074	Molecular_Weight	166.17
14344952	Mono_Isotopic_Weight	112.063662883
5751	Covalent_Unit_Count	1
88093945	TPSA	60.7
11181837	XLogP3-AA	13.6
5372	Rotatable_Bond_Count	7
78858	XLogP3	0.9
20708	Defined_Bond_Stereo_Count	0
5281525	Total_Formal_Charge	0
54569113	Isotope_Atom_Count	0
36307	Molecular_Weight	273.31
57459433	Undefined_Bond_Stereo_Count	0
47703	Structure_Complexity	264
45029742	Tautomer_Count	693
87365092	Rotatable_Bond_Count	3
72200409	Defined_Bond_Stereo_Count	0
62576	Isotope_Atom_Count	0
77449069	Undefined_Atom_Stereo_Count	1
3505109	TPSA	86.3
72221005	Molecular_Weight	95.10
119097406	Covalent_Unit_Count	1
15950003	Hydrogen_Bond_Donor_Count	1
5288320	Hydrogen_Bond_Acceptor_Count	5
3105	Undefined_Bond_Stereo_Count	0
24856436	Covalent_Unit_Count	1
11332423	Hydrogen_Bond_Donor_Count	2
22843	Exact_Mass	505.9524465
12735	Defined_Bond_Stereo_Count	0
20054849	Defined_Bond_Stereo_Count	2
70476156	Hydrogen_Bond_Donor_Count	3
59903796	Total_Formal_Charge	0
8718	Isotope_Atom_Count	0
5944	TPSA	52.6
56463	Total_Formal_Charge	0
5283393	XLogP3-AA	5.6
136091	Defined_Bond_Stereo_Count	0
142123799	Defined_Bond_Stereo_Count	0
72207871	Molecular_Weight	101.15
423792	Defined_Atom_Stereo_Count	0
13035004	Molecular_Weight	101.10
25245167	Exact_Mass	122.98472060
160666	Undefined_Atom_Stereo_Count	0
2210	Hydrogen_Bond_Acceptor_Count	4
164886662	TPSA	304
23377189	Hydrogen_Bond_Acceptor_Count	0
21973793	Rotatable_Bond_Count	0
24977371	Rotatable_Bond_Count	2
89374436	Defined_Atom_Stereo_Count	0
6610296	TPSA	279
13299177	Exact_Mass	94.078250319
56841897	Covalent_Unit_Count	1
4327536	Total_Formal_Charge	0
346695	Molecular_Weight	261.70
4369560	Rotatable_Bond_Count	4
116842253	Mono_Isotopic_Weight	109.089149355
131082430	Covalent_Unit_Count	1
446915	Structure_Complexity	1730
82763	Undefined_Atom_Stereo_Count	0
8130	XLogP3	2.3
29385	TPSA	0
41442	Rotatable_Bond_Count	3
5459830	Isotope_Atom_Count	0
160310226	TPSA	45.6
19104	Hydrogen_Bond_Acceptor_Count	3
57043	Mono_Isotopic_Weight	470.29669976
6328657	Hydrogen_Bond_Acceptor_Count	13
14510872	Undefined_Bond_Stereo_Count	0
7761	Hydrogen_Bond_Acceptor_Count	4
141	Non-hydrogen_Atom_Count	34
98043897	TPSA	60.7
90393	Isotope_Atom_Count	0
556722	Non-hydrogen_Atom_Count	8
3631	Defined_Atom_Stereo_Count	0
135409471	Molecular_Weight	314.17
15535737	Non-hydrogen_Atom_Count	8
66824709	Covalent_Unit_Count	1
411817	XLogP3	3.7
54192233	Exact_Mass	143.131014166
562683	Undefined_Atom_Stereo_Count	0
12285890	Undefined_Atom_Stereo_Count	1
25195294	Exact_Mass	406.19059473
159199	Undefined_Atom_Stereo_Count	0
5362420	Hydrogen_Bond_Acceptor_Count	10
132779642	Total_Formal_Charge	0
5360134	Molecular_Weight	116.17
90472388	Covalent_Unit_Count	2
15284	Exact_Mass	512.24101810
68704	Defined_Bond_Stereo_Count	0
62414	Hydrogen_Bond_Acceptor_Count	6
14181658	Defined_Atom_Stereo_Count	4
72257	Tautomer_Count	3
71356052	Covalent_Unit_Count	1
2811264	Covalent_Unit_Count	1
132252	TPSA	67.8
138403272	Defined_Atom_Stereo_Count	18
1893	Tautomer_Count	2
10855384	TPSA	26
58137170	Hydrogen_Bond_Acceptor_Count	8
119081	Isotope_Atom_Count	0
156035640	Covalent_Unit_Count	1
6978	XLogP3	2
134695353	Covalent_Unit_Count	1
21872909	TPSA	173
4526530	Total_Formal_Charge	0
9795434	Molecular_Weight	270.35
23056	Mono_Isotopic_Weight	337.16779360
7567	TPSA	6.5
12231381	Hydrogen_Bond_Donor_Count	0
52941462	Exact_Mass	350.199428076
10276962	Covalent_Unit_Count	1
4731	Non-hydrogen_Atom_Count	24
138074	Exact_Mass	98.109550447
4293	Exact_Mass	337.95234150
123	Hydrogen_Bond_Donor_Count	3
13611193	Covalent_Unit_Count	1
5057599	Undefined_Bond_Stereo_Count	0
12976	Mono_Isotopic_Weight	118.03784206
60063	XLogP3-AA	0.4
98468	Isotope_Atom_Count	0
25191018	Hydrogen_Bond_Donor_Count	2
135402037	Exact_Mass	268.08076950
18521	Covalent_Unit_Count	1
54758034	Hydrogen_Bond_Acceptor_Count	5
520802	Tautomer_Count	1
3002119	Structure_Complexity	481
34624	Hydrogen_Bond_Donor_Count	0
25154714	TPSA	175
98148765	Covalent_Unit_Count	1
10132844	Isotope_Atom_Count	0
4196	Hydrogen_Bond_Donor_Count	1
7080	Undefined_Bond_Stereo_Count	0
80434	Isotope_Atom_Count	0
15766	Non-hydrogen_Atom_Count	13
165708195	Rotatable_Bond_Count	3
71180	Rotatable_Bond_Count	0
734999	Defined_Bond_Stereo_Count	0
3050410	Exact_Mass	305.1870048
62583	Undefined_Atom_Stereo_Count	1
64692	Undefined_Bond_Stereo_Count	0
6501	Defined_Atom_Stereo_Count	0
83904778	TPSA	26.3
11582982	XLogP3-AA	3.1
57395178	Defined_Atom_Stereo_Count	0
546957	Mono_Isotopic_Weight	171.173547683
19935381	Molecular_Weight	110.15
419182	Defined_Bond_Stereo_Count	0
146159752	Undefined_Atom_Stereo_Count	5
5357580	Defined_Bond_Stereo_Count	2
7790	TPSA	52.6
22321577	Covalent_Unit_Count	1
16760	Hydrogen_Bond_Acceptor_Count	4
23694214	Defined_Atom_Stereo_Count	7
5151436	Undefined_Atom_Stereo_Count	1
115011049	Mono_Isotopic_Weight	112.052429494
165870	Molecular_Weight	214.22
70267665	Exact_Mass	98.048012819
7133	TPSA	3.9
5468154	Undefined_Atom_Stereo_Count	0
130390356	Non-hydrogen_Atom_Count	8
25211988	XLogP3-AA	2
45138674	Hydrogen_Bond_Donor_Count	1
84976	Rotatable_Bond_Count	4
140048	Exact_Mass	120.02450067
16971	Defined_Atom_Stereo_Count	0
92943	Exact_Mass	392.246378268
52948810	Molecular_Weight	362.8
5326566	Defined_Bond_Stereo_Count	0
114017	Total_Formal_Charge	0
72137	Covalent_Unit_Count	1
40772	Defined_Atom_Stereo_Count	0
6433586	Total_Formal_Charge	0
69429	XLogP3-AA	7.8
32343	Covalent_Unit_Count	3
387	Isotope_Atom_Count	0
4567175	TPSA	31.4
544563	TPSA	12.5
3356829	Hydrogen_Bond_Donor_Count	0
126968545	TPSA	37.3
518713	Covalent_Unit_Count	1
17892701	Defined_Atom_Stereo_Count	0
70523	Isotope_Atom_Count	0
12118	Molecular_Weight	191.27
69803	Non-hydrogen_Atom_Count	12
101077	Tautomer_Count	1
70589	Non-hydrogen_Atom_Count	25
146159199	Non-hydrogen_Atom_Count	36
53465849	Undefined_Bond_Stereo_Count	0
12656387	Defined_Bond_Stereo_Count	0
6436860	Undefined_Atom_Stereo_Count	0
12011	Structure_Complexity	235
4471892	Hydrogen_Bond_Acceptor_Count	2
95170	Structure_Complexity	227
51946	Exact_Mass	192.175224706
75090	Non-hydrogen_Atom_Count	22
72199539	XLogP3-AA	4.4
155903765	Hydrogen_Bond_Donor_Count	4
16224	Isotope_Atom_Count	0
163727	Undefined_Atom_Stereo_Count	0
94811	Undefined_Bond_Stereo_Count	0
638047	Non-hydrogen_Atom_Count	7
81325	Rotatable_Bond_Count	3
163646941	Exact_Mass	101.084063974
44224131	Mono_Isotopic_Weight	376.0760747
74245	Defined_Atom_Stereo_Count	0
55285315	Molecular_Weight	125.13
87485	Isotope_Atom_Count	0
439888	Undefined_Bond_Stereo_Count	0
596805	Undefined_Bond_Stereo_Count	0
5478936	Total_Formal_Charge	0
6399027	TPSA	58.9
247771	Exact_Mass	99.104799419
7551	TPSA	38.3
10173277	Undefined_Bond_Stereo_Count	0
606817	Molecular_Weight	211.13
10287749	XLogP3-AA	3.6
127441	TPSA	52.5
84590	Exact_Mass	98.048012819
37686	Non-hydrogen_Atom_Count	23
11502243	Exact_Mass	401.0877226
23545756	Total_Formal_Charge	0
5288573	Mono_Isotopic_Weight	220.07355886
44310743	Hydrogen_Bond_Acceptor_Count	4
162531	Hydrogen_Bond_Donor_Count	0
20097886	Hydrogen_Bond_Donor_Count	0
8779	Hydrogen_Bond_Donor_Count	0
642	Structure_Complexity	1100
43858	Undefined_Bond_Stereo_Count	0
155087254	Non-hydrogen_Atom_Count	85
15412227	Molecular_Weight	95.14
20929	Tautomer_Count	1
13247016	Undefined_Bond_Stereo_Count	0
16115	XLogP3	3.5
38771	Defined_Atom_Stereo_Count	0
65876	Defined_Atom_Stereo_Count	0
10059810	Rotatable_Bond_Count	2
158882	XLogP3-AA	6.1
79865794	Structure_Complexity	118
21806652	Defined_Atom_Stereo_Count	0
545093	Hydrogen_Bond_Donor_Count	1
138988041	Undefined_Bond_Stereo_Count	0
544596	Undefined_Bond_Stereo_Count	0
133562737	TPSA	161
6709	Undefined_Bond_Stereo_Count	0
85983	Hydrogen_Bond_Acceptor_Count	4
9048976	Covalent_Unit_Count	1
9909054	Total_Formal_Charge	0
44455012	Rotatable_Bond_Count	6
2800	Exact_Mass	405.1859422
137118	Tautomer_Count	1
14813	Undefined_Atom_Stereo_Count	0
22608833	Defined_Bond_Stereo_Count	0
11419335	Total_Formal_Charge	0
104276777	TPSA	9.2
6693	XLogP3	2.3
30744	Hydrogen_Bond_Acceptor_Count	5
54685734	Rotatable_Bond_Count	2
123924	Isotope_Atom_Count	0
8248	Molecular_Weight	452.6
54187438	Non-hydrogen_Atom_Count	7
66412	Rotatable_Bond_Count	1
49798481	Mono_Isotopic_Weight	432.19098865
70498808	Non-hydrogen_Atom_Count	7
12704941	Covalent_Unit_Count	1
11326613	Isotope_Atom_Count	0
21096	Structure_Complexity	151
55804	Tautomer_Count	3
82517	Defined_Bond_Stereo_Count	0
124541742	Molecular_Weight	378.5
16224	Tautomer_Count	1
87485	Tautomer_Count	1
16666	XLogP3-AA	3
11594966	Non-hydrogen_Atom_Count	24
20949	Defined_Atom_Stereo_Count	0
144750	Total_Formal_Charge	0
12228201	Non-hydrogen_Atom_Count	6
15051325	Covalent_Unit_Count	1
443157	Defined_Atom_Stereo_Count	1
48103	Tautomer_Count	1
65575	TPSA	20.2
13485108	Mono_Isotopic_Weight	112.088815002
13738268	Hydrogen_Bond_Donor_Count	0
44588964	Undefined_Bond_Stereo_Count	0
5362456	Rotatable_Bond_Count	0
673832	Defined_Atom_Stereo_Count	0
7474	TPSA	45.8
128907	Exact_Mass	345.0226421
44563177	Hydrogen_Bond_Acceptor_Count	7
53247304	Hydrogen_Bond_Acceptor_Count	2
81099	Undefined_Atom_Stereo_Count	0
149026	Total_Formal_Charge	0
6659	Structure_Complexity	97.9
97065	XLogP3-AA	4
21684469	Isotope_Atom_Count	0
639102	Defined_Atom_Stereo_Count	0
7387	Non-hydrogen_Atom_Count	13
8270	Defined_Atom_Stereo_Count	3
17549	Mono_Isotopic_Weight	224.04332136
216992	Molecular_Weight	284.4
5368838	TPSA	24.4
139061810	Rotatable_Bond_Count	9
10912274	Non-hydrogen_Atom_Count	14
130802	Total_Formal_Charge	0
67156338	Covalent_Unit_Count	1
12262506	Rotatable_Bond_Count	4
22320095	Structure_Complexity	83
551592	Hydrogen_Bond_Donor_Count	0
5311110	Covalent_Unit_Count	1
14917	Defined_Bond_Stereo_Count	0
577126	TPSA	17.1
524211	Mono_Isotopic_Weight	106.078250319
11974213	Molecular_Weight	485.0
101755686	Mono_Isotopic_Weight	977.52483213
87504	Defined_Atom_Stereo_Count	1
37207	Non-hydrogen_Atom_Count	15
11867	Mono_Isotopic_Weight	173.99867984
11060	Undefined_Atom_Stereo_Count	0
14170926	Hydrogen_Bond_Acceptor_Count	2
13925600	TPSA	20.2
25244520	Molecular_Weight	167.03
135624041	Defined_Bond_Stereo_Count	0
60196430	Hydrogen_Bond_Donor_Count	0
99451	Undefined_Atom_Stereo_Count	0
4713	Undefined_Atom_Stereo_Count	0
101863	Tautomer_Count	1
4277439	Defined_Bond_Stereo_Count	0
20426485	Rotatable_Bond_Count	3
14280898	Hydrogen_Bond_Donor_Count	2
1245	TPSA	87
516356	Undefined_Atom_Stereo_Count	0
5369258	Defined_Bond_Stereo_Count	1
222572	Mono_Isotopic_Weight	364.157563266
62873	Structure_Complexity	678
109014	Undefined_Bond_Stereo_Count	0
4202	Hydrogen_Bond_Acceptor_Count	8
70258	Rotatable_Bond_Count	0
66599893	Mono_Isotopic_Weight	453.20524173
73549	Defined_Atom_Stereo_Count	0
71234	Rotatable_Bond_Count	5
265776	Molecular_Weight	109.13
408763	Defined_Bond_Stereo_Count	0
44589090	Undefined_Bond_Stereo_Count	0
20508	Covalent_Unit_Count	1
1811	Exact_Mass	190.01135253
17818	TPSA	46.2
81869	Hydrogen_Bond_Donor_Count	0
136394	Tautomer_Count	1
40666	Tautomer_Count	1
59875983	Exact_Mass	100.052429494
23278861	Hydrogen_Bond_Acceptor_Count	14
160534	Defined_Bond_Stereo_Count	0
3382778	Hydrogen_Bond_Acceptor_Count	8
2863	Undefined_Bond_Stereo_Count	0
4658963	Hydrogen_Bond_Donor_Count	2
12813	TPSA	26.3
7638	Rotatable_Bond_Count	3
156618186	Undefined_Bond_Stereo_Count	0
12285870	Defined_Atom_Stereo_Count	4
12993143	Exact_Mass	100.100048391
604519	Undefined_Bond_Stereo_Count	0
489129	Exact_Mass	348.17616766
23103323	Isotope_Atom_Count	0
13306877	Hydrogen_Bond_Acceptor_Count	2
124087	Covalent_Unit_Count	1
51763	TPSA	62.4
9254	Defined_Atom_Stereo_Count	0
53315103	Non-hydrogen_Atom_Count	28
4226	Covalent_Unit_Count	1
78072498	Exact_Mass	331.168462302
4339838	Hydrogen_Bond_Donor_Count	0
5362123	Molecular_Weight	460.9
21922278	Undefined_Atom_Stereo_Count	0
86767860	Rotatable_Bond_Count	1
3277	Mono_Isotopic_Weight	289.15387487
141329202	Rotatable_Bond_Count	0
11725766	TPSA	46.3
70377524	Undefined_Bond_Stereo_Count	0
76830	Mono_Isotopic_Weight	256.98298323
139902903	Undefined_Bond_Stereo_Count	0
24865390	Total_Formal_Charge	0
57662	Covalent_Unit_Count	1
50897	Undefined_Bond_Stereo_Count	0
87323	Undefined_Bond_Stereo_Count	0
11040399	Structure_Complexity	2060
49863420	Exact_Mass	667.18292334
7411	Covalent_Unit_Count	1
97252	Rotatable_Bond_Count	0
446871	Structure_Complexity	900
12289998	Covalent_Unit_Count	1
90701	Undefined_Bond_Stereo_Count	0
5865	Tautomer_Count	27
134160331	Rotatable_Bond_Count	12
56963011	Total_Formal_Charge	0
325	Hydrogen_Bond_Donor_Count	1
10198719	Molecular_Weight	243.33
93680	Defined_Atom_Stereo_Count	0
91301938	TPSA	26.3
8733	Tautomer_Count	1
90016	Undefined_Atom_Stereo_Count	0
55067	Molecular_Weight	262.8
18755331	Total_Formal_Charge	0
61664	Hydrogen_Bond_Donor_Count	0
138979	XLogP3-AA	0.9
16109396	Non-hydrogen_Atom_Count	26
166957	Exact_Mass	196.96721
3086400	Rotatable_Bond_Count	7
676328	Defined_Bond_Stereo_Count	0
83674	Mono_Isotopic_Weight	169.90096141
8573	Defined_Bond_Stereo_Count	0
96269	Tautomer_Count	1
21693	Rotatable_Bond_Count	10
15765	Isotope_Atom_Count	0
5455	Rotatable_Bond_Count	3
459235	Hydrogen_Bond_Acceptor_Count	2
71270	Molecular_Weight	335.4
21650900	Undefined_Atom_Stereo_Count	0
537396	Defined_Bond_Stereo_Count	0
657250	Hydrogen_Bond_Acceptor_Count	14
68026923	Non-hydrogen_Atom_Count	7
15139	Undefined_Atom_Stereo_Count	0
7017101	Mono_Isotopic_Weight	124.063662883
6947	Hydrogen_Bond_Acceptor_Count	3
41990	Undefined_Bond_Stereo_Count	0
101089158	Exact_Mass	116.083729621
86467	Defined_Bond_Stereo_Count	0
105039	Hydrogen_Bond_Acceptor_Count	3
7672	Mono_Isotopic_Weight	119.037113783
6527	Rotatable_Bond_Count	6
614100	Mono_Isotopic_Weight	254.130679813
84648	Isotope_Atom_Count	0
439583	Hydrogen_Bond_Donor_Count	5
71773445	Exact_Mass	552.03040840
16759177	Hydrogen_Bond_Donor_Count	2
869	Hydrogen_Bond_Donor_Count	10
28754	Covalent_Unit_Count	1
90657669	Undefined_Atom_Stereo_Count	0
5527	Non-hydrogen_Atom_Count	24
57586910	Defined_Bond_Stereo_Count	0
24871744	Hydrogen_Bond_Donor_Count	1
23666711	TPSA	242
8412	Defined_Bond_Stereo_Count	0
88257494	Defined_Atom_Stereo_Count	0
6918543	Undefined_Atom_Stereo_Count	0
1189	Hydrogen_Bond_Donor_Count	5
2773	Molecular_Weight	159.21
525785	Molecular_Weight	111.14
10295295	Mono_Isotopic_Weight	414.230728204
521928	Non-hydrogen_Atom_Count	24
160368576	Hydrogen_Bond_Donor_Count	1
78225435	Rotatable_Bond_Count	5
520907	Isotope_Atom_Count	0
10081060	Undefined_Bond_Stereo_Count	0
9245	Non-hydrogen_Atom_Count	7
46199646	Molecular_Weight	520.5
31244	Covalent_Unit_Count	1
20055397	Hydrogen_Bond_Acceptor_Count	5
10450027	Hydrogen_Bond_Donor_Count	8
61306	Defined_Bond_Stereo_Count	0
197926	TPSA	12
13765439	Exact_Mass	163.03031432
39764	Defined_Atom_Stereo_Count	10
41109	Isotope_Atom_Count	0
135539121	Mono_Isotopic_Weight	516.16787042
40471	TPSA	0
23090608	Defined_Atom_Stereo_Count	0
12444627	Tautomer_Count	83
129689385	Exact_Mass	156.0481910
59907918	Isotope_Atom_Count	0
21391554	Exact_Mass	101.047678466
21145	Structure_Complexity	257
15559317	XLogP3-AA	2.1
69325	Tautomer_Count	1
17477	Defined_Bond_Stereo_Count	0
36689718	Covalent_Unit_Count	1
123618563	Defined_Bond_Stereo_Count	0
67277	Undefined_Atom_Stereo_Count	0
121587	Hydrogen_Bond_Acceptor_Count	4
69632065	Non-hydrogen_Atom_Count	8
134754219	Mono_Isotopic_Weight	785.35235945
12673086	Non-hydrogen_Atom_Count	14
19193	Molecular_Weight	109.13
93519	Defined_Atom_Stereo_Count	0
907991	Rotatable_Bond_Count	5
6051	Undefined_Atom_Stereo_Count	0
12589	Non-hydrogen_Atom_Count	9
146160078	Mono_Isotopic_Weight	384.17841785
4571	Non-hydrogen_Atom_Count	29
45266826	XLogP3-AA	2
7680	Isotope_Atom_Count	0
163640634	Defined_Bond_Stereo_Count	0
94746	Mono_Isotopic_Weight	114.068079557
5284551	Undefined_Bond_Stereo_Count	0
79642	Exact_Mass	231.0509649
70111	Hydrogen_Bond_Acceptor_Count	2
518818	Defined_Atom_Stereo_Count	0
7825	Defined_Bond_Stereo_Count	0
453915	Defined_Bond_Stereo_Count	0
23441	Isotope_Atom_Count	0
164330	Defined_Bond_Stereo_Count	0
93009	Molecular_Weight	196.29
679777	Non-hydrogen_Atom_Count	22
68891	Mono_Isotopic_Weight	408.019911
17882607	XLogP3-AA	0.6
69391	XLogP3-AA	0.4
21929	Molecular_Weight	237.64
7530950	Hydrogen_Bond_Donor_Count	0
427842	Covalent_Unit_Count	1
2771013	TPSA	95.9
86380	Molecular_Weight	197.23
58391580	Exact_Mass	315.19467705
12184591	Rotatable_Bond_Count	9
76968505	Non-hydrogen_Atom_Count	23
10290812	Mono_Isotopic_Weight	129.98777838
360081	Hydrogen_Bond_Donor_Count	2
1241420	Exact_Mass	173.10519334
23690449	Hydrogen_Bond_Acceptor_Count	6
3036443	Undefined_Atom_Stereo_Count	0
15415	Defined_Bond_Stereo_Count	0
135974	Tautomer_Count	1
139062015	Non-hydrogen_Atom_Count	21
10974	Tautomer_Count	1
7021156	Covalent_Unit_Count	1
144404363	TPSA	46.3
688930	Exact_Mass	286.0396719
519726	Defined_Atom_Stereo_Count	0
3742	Rotatable_Bond_Count	10
11973	Structure_Complexity	543
21411178	Hydrogen_Bond_Acceptor_Count	4
87468828	Hydrogen_Bond_Donor_Count	0
11345692	Hydrogen_Bond_Donor_Count	0
102515443	Covalent_Unit_Count	1
8437	Total_Formal_Charge	0
398596	Undefined_Bond_Stereo_Count	0
11966124	Total_Formal_Charge	0
7259	Rotatable_Bond_Count	0
10498206	Rotatable_Bond_Count	8
14484	Defined_Bond_Stereo_Count	0
32091	Isotope_Atom_Count	0
44565778	Defined_Atom_Stereo_Count	0
60144418	XLogP3-AA	2.5
5311054	Defined_Bond_Stereo_Count	0
11992	Undefined_Atom_Stereo_Count	0
9841233	Hydrogen_Bond_Acceptor_Count	4
76319	TPSA	26
14765771	Exact_Mass	108.032362755
104799	Exact_Mass	315.0750854
11567	Hydrogen_Bond_Acceptor_Count	1
105426996	Covalent_Unit_Count	1
445071	Undefined_Bond_Stereo_Count	0
18618975	Non-hydrogen_Atom_Count	8
91583	Covalent_Unit_Count	1
11983	TPSA	17.1
54582799	Defined_Bond_Stereo_Count	0
21131860	Defined_Atom_Stereo_Count	0
23674739	Defined_Atom_Stereo_Count	0
16212966	Mono_Isotopic_Weight	181.06674293
22934413	Rotatable_Bond_Count	2
37183	Non-hydrogen_Atom_Count	3
24848382	Mono_Isotopic_Weight	152.107539070
44558536	Mono_Isotopic_Weight	373.1808568
123168	Structure_Complexity	51.3
2123	Isotope_Atom_Count	0
23505018	Undefined_Bond_Stereo_Count	0
139062526	Molecular_Weight	308.22
616651	Defined_Atom_Stereo_Count	0
23354329	Structure_Complexity	111
71512	Undefined_Bond_Stereo_Count	0
31243	Molecular_Weight	158.65
12367843	Mono_Isotopic_Weight	108.093900383
66913	Total_Formal_Charge	0
91845299	Non-hydrogen_Atom_Count	23
54755438	Non-hydrogen_Atom_Count	34
18283	Rotatable_Bond_Count	2
1548986	Covalent_Unit_Count	1
3515	Covalent_Unit_Count	1
22263119	Total_Formal_Charge	0
54111	Molecular_Weight	290.12
206347	Hydrogen_Bond_Donor_Count	14
10246418	Rotatable_Bond_Count	4
172306	Exact_Mass	591.1707033
33032	Non-hydrogen_Atom_Count	10
24153	Defined_Atom_Stereo_Count	0
3117	Mono_Isotopic_Weight	296.05093334
123611	Mono_Isotopic_Weight	1726.7707769
86912	Structure_Complexity	256
443118	Isotope_Atom_Count	0
89292361	Molecular_Weight	100.16
84589	Hydrogen_Bond_Donor_Count	1
39624	Hydrogen_Bond_Acceptor_Count	3
3905	Covalent_Unit_Count	1
1329	Structure_Complexity	436
12720	Mono_Isotopic_Weight	52.0313001276
129689816	Defined_Bond_Stereo_Count	0
76973769	Defined_Atom_Stereo_Count	6
6427044	Structure_Complexity	2070
42963	Mono_Isotopic_Weight	294.12157168
118972006	Undefined_Bond_Stereo_Count	0
10221024	Defined_Bond_Stereo_Count	0
23721629	TPSA	60.4
337100	Isotope_Atom_Count	0
20265292	Mono_Isotopic_Weight	114.068079557
139149	Hydrogen_Bond_Acceptor_Count	0
78576	Molecular_Weight	189.26
22979	Exact_Mass	487.11279790
15007	Exact_Mass	250.15689456
604519	Tautomer_Count	2
23689036	Hydrogen_Bond_Acceptor_Count	4
4195974	Rotatable_Bond_Count	2
57392505	Undefined_Atom_Stereo_Count	1
71727581	Isotope_Atom_Count	0
5465	XLogP3	2.8
19835	Hydrogen_Bond_Acceptor_Count	2
11205717	Covalent_Unit_Count	1
2203	Undefined_Atom_Stereo_Count	3
5107	Non-hydrogen_Atom_Count	34
129148	TPSA	138
56988963	Exact_Mass	102.079312947
404566	Non-hydrogen_Atom_Count	23
12040508	Structure_Complexity	457
29656	Non-hydrogen_Atom_Count	7
161764	Structure_Complexity	585
656615	Molecular_Weight	358.5
10202492	Undefined_Bond_Stereo_Count	0
518964	Rotatable_Bond_Count	0
126969097	Structure_Complexity	1390
87279996	Defined_Bond_Stereo_Count	0
10621	Non-hydrogen_Atom_Count	43
54688694	Isotope_Atom_Count	0
6476333	Structure_Complexity	936
19917	Covalent_Unit_Count	1
76621	Mono_Isotopic_Weight	207.0886878
23369154	Structure_Complexity	82.1
35912	Defined_Bond_Stereo_Count	0
24846	Molecular_Weight	164.14
797972	Undefined_Bond_Stereo_Count	0
3085401	XLogP3	3.1
11247	Undefined_Bond_Stereo_Count	0
54151808	Mono_Isotopic_Weight	114.104465066
123415454	Structure_Complexity	86.2
535857	Structure_Complexity	68.8
55285775	Rotatable_Bond_Count	1
712421	Defined_Atom_Stereo_Count	1
130144234	Molecular_Weight	96.13
702015	Structure_Complexity	352
104973	Covalent_Unit_Count	1
67782238	Defined_Bond_Stereo_Count	0
15439201	Undefined_Atom_Stereo_Count	1
9818231	Hydrogen_Bond_Donor_Count	1
60527	Total_Formal_Charge	0
90127780	Undefined_Bond_Stereo_Count	0
131801471	Non-hydrogen_Atom_Count	457
71184	XLogP3-AA	1
118988662	Molecular_Weight	591.1
236114	Undefined_Atom_Stereo_Count	2
5289419	Defined_Atom_Stereo_Count	0
123226	Molecular_Weight	142.11
4980	Defined_Bond_Stereo_Count	0
19920	XLogP3-AA	0.6
2766744	Defined_Atom_Stereo_Count	0
36978	Non-hydrogen_Atom_Count	21
88580088	Undefined_Atom_Stereo_Count	0
15347676	Exact_Mass	111.079647300
77311	Covalent_Unit_Count	2
44310721	Mono_Isotopic_Weight	415.1429471
23643936	Molecular_Weight	893.2
9888340	Undefined_Bond_Stereo_Count	0
137321858	Structure_Complexity	982
71572	Rotatable_Bond_Count	1
11198850	Covalent_Unit_Count	1
149784	Exact_Mass	277.19026037
40585	TPSA	59.3
21180574	Rotatable_Bond_Count	0
66561	Hydrogen_Bond_Donor_Count	1
20138187	Molecular_Weight	111.11
164	Undefined_Bond_Stereo_Count	1
5365125	Covalent_Unit_Count	1
57303454	Non-hydrogen_Atom_Count	7
44603531	Defined_Bond_Stereo_Count	0
723	Structure_Complexity	119
4044	Hydrogen_Bond_Acceptor_Count	3
28166	Hydrogen_Bond_Donor_Count	0
539244	Mono_Isotopic_Weight	478.20029610
9576891	XLogP3-AA	2.2
1362	Isotope_Atom_Count	0
14417041	Exact_Mass	113.084063974
15926139	Defined_Bond_Stereo_Count	0
59539	Covalent_Unit_Count	1
9395	Mono_Isotopic_Weight	275.05587416
102248370	Undefined_Bond_Stereo_Count	0
165615710	Exact_Mass	112.088815002
11815817	Undefined_Atom_Stereo_Count	0
78979	XLogP3-AA	3
580518	Structure_Complexity	265
460987	Defined_Atom_Stereo_Count	6
748	Mono_Isotopic_Weight	387.04062148
130866606	Undefined_Atom_Stereo_Count	2
97535	Tautomer_Count	4
19734140	Covalent_Unit_Count	1
181976	Rotatable_Bond_Count	4
27402	Defined_Bond_Stereo_Count	0
89356917	Undefined_Bond_Stereo_Count	0
129027658	Structure_Complexity	103
525065	XLogP3-AA	3.1
16657	Molecular_Weight	98.19
23680396	Hydrogen_Bond_Donor_Count	2
5281232	TPSA	74.6
659840	Total_Formal_Charge	0
3674	Molecular_Weight	311.3
54949	Rotatable_Bond_Count	11
13593982	Hydrogen_Bond_Donor_Count	1
87106053	Isotope_Atom_Count	0
2412	Covalent_Unit_Count	1
162014	Defined_Bond_Stereo_Count	0
44392114	Covalent_Unit_Count	1
66245	Structure_Complexity	330
67375395	Hydrogen_Bond_Donor_Count	2
11722	Structure_Complexity	42.9
162883450	Mono_Isotopic_Weight	527.23263824
77077	Covalent_Unit_Count	1
129679806	Rotatable_Bond_Count	3
3036222	Structure_Complexity	355
88063521	TPSA	20.2
10240761	Defined_Bond_Stereo_Count	0
76365	Defined_Atom_Stereo_Count	0
7693	Isotope_Atom_Count	0
21753162	Structure_Complexity	74.1
23667651	Non-hydrogen_Atom_Count	9
11654876	Total_Formal_Charge	0
41744	TPSA	215
25137873	Isotope_Atom_Count	0
11750009	Rotatable_Bond_Count	5
139242912	Non-hydrogen_Atom_Count	57
24455	Undefined_Atom_Stereo_Count	0
7464	Mono_Isotopic_Weight	135.104799419
176960	Hydrogen_Bond_Donor_Count	1
6540262	Covalent_Unit_Count	1
20055121	Covalent_Unit_Count	1
80376	Non-hydrogen_Atom_Count	6
1466	Hydrogen_Bond_Donor_Count	2
13291788	Undefined_Atom_Stereo_Count	0
65501	Defined_Bond_Stereo_Count	0
11962412	Hydrogen_Bond_Acceptor_Count	5
15330921	Hydrogen_Bond_Donor_Count	1
656954	Defined_Bond_Stereo_Count	0
6850789	Molecular_Weight	501.98
15402	Defined_Bond_Stereo_Count	0
130125724	Defined_Bond_Stereo_Count	0
54688694	Molecular_Weight	459.4
24536	Structure_Complexity	135
65263	Undefined_Bond_Stereo_Count	0
23688461	Covalent_Unit_Count	2
10328	Mono_Isotopic_Weight	119.073499291
8371	Exact_Mass	245.862290
60148392	Mono_Isotopic_Weight	403.09397682
8340	TPSA	41.8
20256	Defined_Bond_Stereo_Count	0
8053	Undefined_Bond_Stereo_Count	0
57164040	Molecular_Weight	645.7
136135	Hydrogen_Bond_Donor_Count	0
54682469	Defined_Atom_Stereo_Count	5
10269	Mono_Isotopic_Weight	236.177630004
15122661	Undefined_Atom_Stereo_Count	1
12029691	Undefined_Atom_Stereo_Count	0
102210	Mono_Isotopic_Weight	316.20384475
536124	Non-hydrogen_Atom_Count	8
5281650	TPSA	96.2
16212939	Rotatable_Bond_Count	10
57398150	Non-hydrogen_Atom_Count	26
101707	Exact_Mass	235.136099547
98086793	Structure_Complexity	418
441348	Exact_Mass	306.0901833
10401	Hydrogen_Bond_Acceptor_Count	2
13698	Exact_Mass	193.089149355
3083346	Mono_Isotopic_Weight	335.15801676
9852188	Exact_Mass	628.44916039
87074	Non-hydrogen_Atom_Count	8
86098790	Non-hydrogen_Atom_Count	14
20209436	Covalent_Unit_Count	5
66647165	Structure_Complexity	42.8
9143	Mono_Isotopic_Weight	202.078250319
6971018	TPSA	67.8
36573	Hydrogen_Bond_Acceptor_Count	4
208920	Exact_Mass	620.38656014
24682	Undefined_Bond_Stereo_Count	0
59082714	Undefined_Bond_Stereo_Count	0
9874838	Molecular_Weight	657.8
71356656	Hydrogen_Bond_Donor_Count	0
601791	XLogP3	4.8
22954661	Defined_Atom_Stereo_Count	0
65562	Undefined_Atom_Stereo_Count	0
146159812	XLogP3-AA	6
71170	Undefined_Bond_Stereo_Count	0
596244	Defined_Atom_Stereo_Count	0
123745949	Rotatable_Bond_Count	2
134167153	Non-hydrogen_Atom_Count	47
91749	Non-hydrogen_Atom_Count	15
59221	Mono_Isotopic_Weight	367.15108
261555	Total_Formal_Charge	0
21824034	TPSA	64.7
11147714	Hydrogen_Bond_Donor_Count	0
103002	Defined_Atom_Stereo_Count	0
524670	Hydrogen_Bond_Acceptor_Count	0
5018304	Undefined_Bond_Stereo_Count	0
136837	Undefined_Bond_Stereo_Count	0
54929	Undefined_Bond_Stereo_Count	0
5282398	Total_Formal_Charge	0
14453684	Exact_Mass	100.088815002
11661757	Structure_Complexity	529
850502	Structure_Complexity	340
54167752	Mono_Isotopic_Weight	95.94876769
12298558	Exact_Mass	115.063328530
117768413	TPSA	110
595	Structure_Complexity	192
20024	Non-hydrogen_Atom_Count	5
443880	TPSA	89.9
49849523	Structure_Complexity	415
49853507	Covalent_Unit_Count	2
11697676	XLogP3-AA	4.2
10110	Covalent_Unit_Count	1
3372016	Exact_Mass	524.11228755
11647899	Hydrogen_Bond_Donor_Count	2
26651	Non-hydrogen_Atom_Count	30
12933341	Undefined_Atom_Stereo_Count	0
31013	Total_Formal_Charge	0
122501	Covalent_Unit_Count	1
231931	Defined_Atom_Stereo_Count	0
12835187	Undefined_Bond_Stereo_Count	0
28936	Mono_Isotopic_Weight	425.94662
929	Total_Formal_Charge	1
145705978	Non-hydrogen_Atom_Count	76
62276	Exact_Mass	461.0489140
10302451	Undefined_Bond_Stereo_Count	0
21168	Undefined_Atom_Stereo_Count	0
156417	Mono_Isotopic_Weight	765.42004509
35525	Exact_Mass	166.110613074
70690634	Undefined_Atom_Stereo_Count	0
479503	Hydrogen_Bond_Donor_Count	3
23665874	TPSA	69.2
139782102	Non-hydrogen_Atom_Count	7
25137678	Defined_Atom_Stereo_Count	3
11483754	TPSA	52.3
3025961	XLogP3-AA	3.3
13229	Isotope_Atom_Count	0
31297	Mono_Isotopic_Weight	113.9542282
135765350	TPSA	53.5
84	Covalent_Unit_Count	1
20632752	TPSA	24.1
68494	Exact_Mass	286.05897142
73277	Hydrogen_Bond_Acceptor_Count	2
87329230	Hydrogen_Bond_Donor_Count	1
521324	Total_Formal_Charge	0
90420227	Hydrogen_Bond_Donor_Count	1
11224	Undefined_Atom_Stereo_Count	1
118210244	Hydrogen_Bond_Donor_Count	0
60196396	Isotope_Atom_Count	0
21613900	Exact_Mass	111.043261792
15982151	Mono_Isotopic_Weight	467.21686904
2568387	Undefined_Bond_Stereo_Count	0
2348	XLogP3	0.9
37825	Structure_Complexity	441
4583824	Undefined_Atom_Stereo_Count	0
19077501	Defined_Atom_Stereo_Count	0
20259185	Non-hydrogen_Atom_Count	8
53943526	Non-hydrogen_Atom_Count	7
73425380	Total_Formal_Charge	0
21249654	Defined_Atom_Stereo_Count	0
10446567	Undefined_Atom_Stereo_Count	0
694728	Defined_Bond_Stereo_Count	1
23662384	Covalent_Unit_Count	3
197883	TPSA	76.6
8081	Mono_Isotopic_Weight	90.031694049
23599502	Undefined_Bond_Stereo_Count	0
3016390	Hydrogen_Bond_Donor_Count	2
242364	Structure_Complexity	209
16754849	Defined_Atom_Stereo_Count	2
9926621	Non-hydrogen_Atom_Count	23
40030	Hydrogen_Bond_Acceptor_Count	3
529274	Isotope_Atom_Count	0
24180680	Isotope_Atom_Count	0
151419	Covalent_Unit_Count	1
587128	Non-hydrogen_Atom_Count	11
9051	Defined_Bond_Stereo_Count	0
118210808	XLogP3-AA	0.3
448972	Mono_Isotopic_Weight	433.1316954
298391	Undefined_Bond_Stereo_Count	0
68012	Non-hydrogen_Atom_Count	14
71461541	Structure_Complexity	728
123373137	Defined_Atom_Stereo_Count	0
21503772	Total_Formal_Charge	0
7618	Covalent_Unit_Count	1
7506	Tautomer_Count	1
32698	Total_Formal_Charge	0
71357579	Exact_Mass	115.099714038
20758492	Mono_Isotopic_Weight	483.96852877
5325574	Covalent_Unit_Count	1
523547	Structure_Complexity	179
71486	Tautomer_Count	1
3323161	Isotope_Atom_Count	0
154824336	Undefined_Bond_Stereo_Count	0
24621	Mono_Isotopic_Weight	161.885062
136053758	TPSA	56.3
115107	XLogP3	2
13562	Covalent_Unit_Count	1
67258795	Hydrogen_Bond_Donor_Count	0
86017	Hydrogen_Bond_Acceptor_Count	4
123920	Hydrogen_Bond_Donor_Count	1
23497	Mono_Isotopic_Weight	211.08445790
7848	Hydrogen_Bond_Acceptor_Count	1
5311498	Covalent_Unit_Count	3
115140	Non-hydrogen_Atom_Count	21
10236037	TPSA	63.3
133134	Molecular_Weight	554.6
10548	Defined_Atom_Stereo_Count	0
22832	Structure_Complexity	1640
115208	TPSA	72.9
1565	Defined_Bond_Stereo_Count	0
5281884	Defined_Bond_Stereo_Count	1
465069	Rotatable_Bond_Count	8
413505	Hydrogen_Bond_Acceptor_Count	4
107144	Isotope_Atom_Count	0
90281906	Defined_Bond_Stereo_Count	0
52946123	Undefined_Bond_Stereo_Count	0
4570	Defined_Bond_Stereo_Count	0
9865421	Total_Formal_Charge	0
534324	Defined_Atom_Stereo_Count	0
3299	Total_Formal_Charge	0
52945260	Mono_Isotopic_Weight	353.13103142
864969	Structure_Complexity	448
249778	Defined_Atom_Stereo_Count	0
84647715	Covalent_Unit_Count	1
42713	Undefined_Bond_Stereo_Count	0
16683101	Isotope_Atom_Count	0
5702279	Non-hydrogen_Atom_Count	36
23681107	Rotatable_Bond_Count	5
12600	Non-hydrogen_Atom_Count	14
135887824	Covalent_Unit_Count	1
91986	Hydrogen_Bond_Donor_Count	0
59519119	Undefined_Atom_Stereo_Count	1
1257	TPSA	31.9
57389999	Total_Formal_Charge	0
31411	Rotatable_Bond_Count	4
6437371	Hydrogen_Bond_Donor_Count	0
6323236	Undefined_Atom_Stereo_Count	0
23450	Molecular_Weight	137.14
940	Structure_Complexity	314
23622607	Defined_Atom_Stereo_Count	10
14194342	XLogP3-AA	0.5
6321414	Mono_Isotopic_Weight	557.12501980
16682746	TPSA	9.2
37865	Undefined_Bond_Stereo_Count	0
143047391	Hydrogen_Bond_Donor_Count	1
91895876	Hydrogen_Bond_Donor_Count	1
1807	Defined_Atom_Stereo_Count	0
88358812	Total_Formal_Charge	0
20055121	TPSA	190
66751347	Isotope_Atom_Count	0
102565432	Total_Formal_Charge	0
76965007	Non-hydrogen_Atom_Count	26
13032	Non-hydrogen_Atom_Count	10
131709156	Undefined_Bond_Stereo_Count	0
91464153	Mono_Isotopic_Weight	111.032028402
7225	Undefined_Atom_Stereo_Count	0
28951015	Undefined_Bond_Stereo_Count	0
9989	Hydrogen_Bond_Donor_Count	1
2218	Undefined_Atom_Stereo_Count	0
135430795	Molecular_Weight	491.18
15004706	Undefined_Bond_Stereo_Count	0
53435617	Undefined_Atom_Stereo_Count	0
139074319	Undefined_Atom_Stereo_Count	0
41881	Undefined_Atom_Stereo_Count	0
15982018	Isotope_Atom_Count	0
9231	XLogP3	3.2
91945062	Covalent_Unit_Count	1
525128	Defined_Atom_Stereo_Count	0
55281352	Undefined_Bond_Stereo_Count	0
12711600	Structure_Complexity	72.9
541087	XLogP3-AA	2.3
145751	Undefined_Atom_Stereo_Count	1
52945780	Hydrogen_Bond_Donor_Count	3
81129	XLogP3	2.4
24643	Undefined_Atom_Stereo_Count	0
535813	Covalent_Unit_Count	1
152057	Hydrogen_Bond_Acceptor_Count	3
50878565	Molecular_Weight	452.5
5361	TPSA	534
84979	Mono_Isotopic_Weight	126.90308
54300272	Mono_Isotopic_Weight	101.084063974
9955534	Defined_Bond_Stereo_Count	0
13632	Mono_Isotopic_Weight	141.115364102
3032285	Defined_Atom_Stereo_Count	0
670359	Defined_Bond_Stereo_Count	0
16141	Undefined_Bond_Stereo_Count	0
1046	Total_Formal_Charge	0
44525553	Hydrogen_Bond_Acceptor_Count	6
10465	Undefined_Bond_Stereo_Count	0
182951	Non-hydrogen_Atom_Count	26
229075	Mono_Isotopic_Weight	110.059246208
129635186	Molecular_Weight	791.5
41779	Isotope_Atom_Count	0
5462306	Exact_Mass	297.13649347
5438	Isotope_Atom_Count	0
10076625	Hydrogen_Bond_Donor_Count	2
257630	XLogP3-AA	3.8
165345	Defined_Atom_Stereo_Count	0
134694302	Defined_Bond_Stereo_Count	0
5281877	Undefined_Atom_Stereo_Count	0
87424384	Total_Formal_Charge	0
54586718	Defined_Bond_Stereo_Count	0
3180466	Total_Formal_Charge	0
216293	Molecular_Weight	812.4
3277	Covalent_Unit_Count	1
135402045	Non-hydrogen_Atom_Count	17
21823262	Non-hydrogen_Atom_Count	6
7924	Isotope_Atom_Count	0
824657	Total_Formal_Charge	0
6452127	Defined_Atom_Stereo_Count	4
6326947	Structure_Complexity	532
10284	Defined_Atom_Stereo_Count	0
8271	Defined_Bond_Stereo_Count	0
449346	Non-hydrogen_Atom_Count	13
11395145	Rotatable_Bond_Count	7
12235162	Undefined_Atom_Stereo_Count	0
118008485	Mono_Isotopic_Weight	110.073164938
66545759	XLogP3-AA	1.3
95162203	Rotatable_Bond_Count	4
28768	Undefined_Atom_Stereo_Count	0
19427867	Rotatable_Bond_Count	0
516902	Tautomer_Count	1
16222096	TPSA	64.6
24906321	Non-hydrogen_Atom_Count	29
146159501	TPSA	35.5
5324168	Structure_Complexity	63.1
2680	Hydrogen_Bond_Donor_Count	2
571736	TPSA	52.5
83815	Rotatable_Bond_Count	2
64185	Non-hydrogen_Atom_Count	17
10734	Tautomer_Count	1
26235	Non-hydrogen_Atom_Count	21
141011968	Non-hydrogen_Atom_Count	8
4866625	Defined_Bond_Stereo_Count	0
4896	TPSA	141
442436	Covalent_Unit_Count	1
96316	XLogP3-AA	0.5
10197675	Non-hydrogen_Atom_Count	8
155113	Total_Formal_Charge	0
542892	Defined_Bond_Stereo_Count	0
9131	Undefined_Bond_Stereo_Count	0
6994	Mono_Isotopic_Weight	122.073164938
12211348	Defined_Bond_Stereo_Count	0
10683	Hydrogen_Bond_Acceptor_Count	3
75987156	Rotatable_Bond_Count	4
5281068	Mono_Isotopic_Weight	390.1346349
7566539	Isotope_Atom_Count	0
1416277	Tautomer_Count	3
156255626	Isotope_Atom_Count	0
73442	Hydrogen_Bond_Donor_Count	0
59966656	Non-hydrogen_Atom_Count	30
644273	Hydrogen_Bond_Acceptor_Count	3
123373137	Molecular_Weight	301.36
15702065	TPSA	37.3
12630265	Rotatable_Bond_Count	0
2201	Undefined_Bond_Stereo_Count	0
10436103	Hydrogen_Bond_Acceptor_Count	16
56857	Defined_Atom_Stereo_Count	0
10909502	Total_Formal_Charge	0
15510	Covalent_Unit_Count	1
32743	Exact_Mass	86.036779430
7693	Tautomer_Count	1
10219396	Isotope_Atom_Count	0
7714	Hydrogen_Bond_Donor_Count	0
53240376	Mono_Isotopic_Weight	726.07603
5059	Defined_Atom_Stereo_Count	0
59841	Total_Formal_Charge	0
12248306	Rotatable_Bond_Count	3
54686764	TPSA	182
65825	Covalent_Unit_Count	1
37114	Defined_Bond_Stereo_Count	0
57369411	Defined_Bond_Stereo_Count	0
15208461	Covalent_Unit_Count	1
20705517	Undefined_Atom_Stereo_Count	1
7315	XLogP3-AA	4.2
49836058	Isotope_Atom_Count	0
92421	Undefined_Bond_Stereo_Count	0
9571109	Undefined_Bond_Stereo_Count	0
12746990	Molecular_Weight	113.12
84041	Isotope_Atom_Count	0
520527	Mono_Isotopic_Weight	80.062600255
14808025	Mono_Isotopic_Weight	101.047678466
672296	Hydrogen_Bond_Donor_Count	0
12201383	Defined_Atom_Stereo_Count	0
2724552	Hydrogen_Bond_Donor_Count	5
90771306	Undefined_Bond_Stereo_Count	0
4127	Non-hydrogen_Atom_Count	19
3080825	Defined_Bond_Stereo_Count	0
14949721	Mono_Isotopic_Weight	99.104799419
12590456	Hydrogen_Bond_Donor_Count	1
22574	Exact_Mass	232.99940812
60139	TPSA	432
18789128	Exact_Mass	101.047678466
13867124	Exact_Mass	288.183778013
74242	Structure_Complexity	175
23692768	Defined_Atom_Stereo_Count	0
27648	Defined_Atom_Stereo_Count	0
28837	XLogP3	6.6
11188898	Isotope_Atom_Count	0
38674	Defined_Bond_Stereo_Count	0
3264839	Total_Formal_Charge	0
23064530	Hydrogen_Bond_Donor_Count	1
70687305	Exact_Mass	402.29813906
11576068	Hydrogen_Bond_Acceptor_Count	4
6433520	Molecular_Weight	289.33
12313981	Undefined_Atom_Stereo_Count	0
6432437	Rotatable_Bond_Count	1
31233	Exact_Mass	166.099379685
9883259	Tautomer_Count	5
62078	Total_Formal_Charge	0
123611	TPSA	901
5834	Undefined_Atom_Stereo_Count	0
219020	Hydrogen_Bond_Acceptor_Count	3
13235329	TPSA	0
25314	Molecular_Weight	291.8
68072	Defined_Atom_Stereo_Count	0
5742590	Total_Formal_Charge	0
42599603	TPSA	86
13659	Defined_Bond_Stereo_Count	0
18847	Undefined_Bond_Stereo_Count	0
90687044	Molecular_Weight	109.13
54840	TPSA	21.3
15721166	Non-hydrogen_Atom_Count	8
11105319	Hydrogen_Bond_Acceptor_Count	2
87990	Isotope_Atom_Count	0
2610	Defined_Atom_Stereo_Count	0
16351	Mono_Isotopic_Weight	343.0909965
20872204	Covalent_Unit_Count	1
38879	Isotope_Atom_Count	0
7762	XLogP3-AA	1.3
102233553	Covalent_Unit_Count	1
122623	Total_Formal_Charge	0
10917	Molecular_Weight	161.20
4896	Undefined_Bond_Stereo_Count	0
86582	Molecular_Weight	188.31
135476770	Exact_Mass	257.11240398
121599	Hydrogen_Bond_Donor_Count	0
5883	Rotatable_Bond_Count	7
18186100	Non-hydrogen_Atom_Count	6
25113190	Undefined_Bond_Stereo_Count	0
5726	Undefined_Bond_Stereo_Count	0
619446	Undefined_Bond_Stereo_Count	0
163255537	Hydrogen_Bond_Donor_Count	0
6300	Tautomer_Count	3
342403	Mono_Isotopic_Weight	137.047678466
11246	Non-hydrogen_Atom_Count	5
5371246	Total_Formal_Charge	0
7380	Total_Formal_Charge	0
5288672	Rotatable_Bond_Count	6
46324	Hydrogen_Bond_Donor_Count	1
15801221	Total_Formal_Charge	0
136419	Structure_Complexity	409
1810216	Defined_Atom_Stereo_Count	0
24873435	Isotope_Atom_Count	0
123298537	Non-hydrogen_Atom_Count	8
521289	Structure_Complexity	2.8
129913833	Undefined_Bond_Stereo_Count	0
54886	Hydrogen_Bond_Acceptor_Count	7
71312086	Total_Formal_Charge	0
5281771	Undefined_Bond_Stereo_Count	0
5702031	TPSA	46.3
304	Hydrogen_Bond_Acceptor_Count	1
1261	Mono_Isotopic_Weight	327.1278028
57399125	Exact_Mass	391.09324650
19782039	Isotope_Atom_Count	0
10723	XLogP3-AA	1.8
9571109	TPSA	107
15677238	Total_Formal_Charge	0
12421370	Structure_Complexity	14
129654479	Hydrogen_Bond_Acceptor_Count	2
23263	Tautomer_Count	1
90730816	Defined_Atom_Stereo_Count	0
21872909	Mono_Isotopic_Weight	648.29413356
13992155	Hydrogen_Bond_Acceptor_Count	8
9997	Structure_Complexity	67.1
21907926	Molecular_Weight	124.06
53867497	Molecular_Weight	261.10
38102	Undefined_Bond_Stereo_Count	0
10537	Undefined_Bond_Stereo_Count	0
5184	Undefined_Atom_Stereo_Count	5
51392	Hydrogen_Bond_Acceptor_Count	2
98490	Defined_Atom_Stereo_Count	0
5032	Rotatable_Bond_Count	3
87642220	Hydrogen_Bond_Acceptor_Count	11
123959	Molecular_Weight	950.1
15926139	Undefined_Atom_Stereo_Count	0
10796238	Exact_Mass	1095.46702979
6456015	Covalent_Unit_Count	2
46174453	Mono_Isotopic_Weight	301.0782389
590907	Non-hydrogen_Atom_Count	12
23675456	Rotatable_Bond_Count	16
15980838	Mono_Isotopic_Weight	495.1673320
236566	Hydrogen_Bond_Acceptor_Count	3
546259	Hydrogen_Bond_Acceptor_Count	1
5081	Covalent_Unit_Count	1
25588	Non-hydrogen_Atom_Count	15
86063	Undefined_Bond_Stereo_Count	0
163090688	Undefined_Atom_Stereo_Count	7
8196	Defined_Bond_Stereo_Count	0
347476	XLogP3-AA	0.9
16118392	Molecular_Weight	633.7
155803776	Defined_Bond_Stereo_Count	0
5311054	Mono_Isotopic_Weight	1154.74992724
7156899	Molecular_Weight	342.30
72492	Rotatable_Bond_Count	6
91773	Covalent_Unit_Count	1
39929	Mono_Isotopic_Weight	303.901626
70919851	Hydrogen_Bond_Acceptor_Count	11
135612794	Tautomer_Count	17
564664	Undefined_Bond_Stereo_Count	0
91017818	Undefined_Bond_Stereo_Count	0
11895	Total_Formal_Charge	0
22611874	Hydrogen_Bond_Acceptor_Count	1
5351	XLogP3-AA	1.2
623849	Isotope_Atom_Count	0
16969	Non-hydrogen_Atom_Count	9
145784171	Structure_Complexity	415
52948843	Structure_Complexity	429
60936	Defined_Bond_Stereo_Count	0
534610	Undefined_Bond_Stereo_Count	0
8663	Non-hydrogen_Atom_Count	11
860	Exact_Mass	278.224580195
145627882	Defined_Bond_Stereo_Count	0
53486702	Exact_Mass	388.03102
3418	Molecular_Weight	218.10
9815326	Hydrogen_Bond_Acceptor_Count	4
21751982	Molecular_Weight	117.15
8280	XLogP3-AA	0.8
96917	Rotatable_Bond_Count	0
25200298	Structure_Complexity	1830
7190	Non-hydrogen_Atom_Count	16
14336	Non-hydrogen_Atom_Count	14
121493082	Isotope_Atom_Count	0
444837	Non-hydrogen_Atom_Count	63
46173707	Covalent_Unit_Count	1
17857	XLogP3-AA	1.1
5291	Exact_Mass	493.25900864
9821545	Undefined_Bond_Stereo_Count	0
10721	Molecular_Weight	117.15
123237074	XLogP3-AA	1.1
14786532	Exact_Mass	111.068413911
57448758	Non-hydrogen_Atom_Count	46
21823	Mono_Isotopic_Weight	217.110278721
91697	Non-hydrogen_Atom_Count	12
20547	Hydrogen_Bond_Donor_Count	0
10953595	Defined_Atom_Stereo_Count	3
24866867	Rotatable_Bond_Count	7
135925740	Defined_Bond_Stereo_Count	3
6433412	Undefined_Bond_Stereo_Count	0
54594881	Isotope_Atom_Count	0
101587427	Defined_Atom_Stereo_Count	0
637796	XLogP3	3.1
12998	Structure_Complexity	89.5
19013328	Molecular_Weight	110.11
3032818	Covalent_Unit_Count	1
66102	TPSA	52.6
14656672	TPSA	70
541384	Defined_Bond_Stereo_Count	0
49865785	Rotatable_Bond_Count	5
11658353	Non-hydrogen_Atom_Count	12
15001198	Undefined_Bond_Stereo_Count	0
5354495	Non-hydrogen_Atom_Count	1
323	Non-hydrogen_Atom_Count	11
11869222	Molecular_Weight	401.5
91994885	Total_Formal_Charge	0
10558601	Hydrogen_Bond_Donor_Count	2
55290159	Exact_Mass	105.078978594
21987892	Undefined_Atom_Stereo_Count	0
62369	Non-hydrogen_Atom_Count	20
77781	Covalent_Unit_Count	1
9799518	Hydrogen_Bond_Acceptor_Count	3
44339100	Undefined_Atom_Stereo_Count	0
11514319	Molecular_Weight	249.26
13315542	Rotatable_Bond_Count	1
101148	Covalent_Unit_Count	1
11971580	Undefined_Atom_Stereo_Count	3
39507	Total_Formal_Charge	0
2724054	Hydrogen_Bond_Donor_Count	1
11957521	Defined_Atom_Stereo_Count	6
16129682	Hydrogen_Bond_Acceptor_Count	62
28145931	Structure_Complexity	437
4130	Undefined_Atom_Stereo_Count	0
68195	Undefined_Atom_Stereo_Count	0
446284	Rotatable_Bond_Count	13
4004	Isotope_Atom_Count	0
9570071	Hydrogen_Bond_Acceptor_Count	4
5642	Undefined_Atom_Stereo_Count	4
12312963	Total_Formal_Charge	0
984396	Rotatable_Bond_Count	8
82513	Hydrogen_Bond_Donor_Count	1
4545429	Hydrogen_Bond_Acceptor_Count	2
3940691	Isotope_Atom_Count	0
21789	Total_Formal_Charge	0
84106834	Exact_Mass	99.104799419
5795	Isotope_Atom_Count	0
7827	Undefined_Bond_Stereo_Count	0
14417887	Undefined_Bond_Stereo_Count	0
580	Structure_Complexity	643
19951	Hydrogen_Bond_Donor_Count	0
713378	Non-hydrogen_Atom_Count	18
12148754	TPSA	98.7
57397809	Undefined_Bond_Stereo_Count	0
11595	Total_Formal_Charge	0
237546	XLogP3-AA	0.1
12956087	Rotatable_Bond_Count	0
75412563	Non-hydrogen_Atom_Count	11
5281899	Total_Formal_Charge	0
55212037	Mono_Isotopic_Weight	112.027277375
8626	Defined_Bond_Stereo_Count	0
11478	Non-hydrogen_Atom_Count	21
70715	TPSA	64.7
17432	Hydrogen_Bond_Donor_Count	0
5366546	Undefined_Bond_Stereo_Count	0
10434	Defined_Bond_Stereo_Count	0
39941	Molecular_Weight	301.72
28114	XLogP3-AA	0.1
5271565	Exact_Mass	144.04225873
60195903	Covalent_Unit_Count	1
7877	Defined_Bond_Stereo_Count	0
2129427	Undefined_Bond_Stereo_Count	0
9356	Tautomer_Count	1
15086	Hydrogen_Bond_Acceptor_Count	0
153067665	Covalent_Unit_Count	1
21643653	Defined_Bond_Stereo_Count	0
117569443	Total_Formal_Charge	0
129830140	Total_Formal_Charge	0
4409	XLogP3	3.1
13719374	Undefined_Bond_Stereo_Count	0
54120934	Isotope_Atom_Count	0
56962313	Mono_Isotopic_Weight	443.19573968
5424	Molecular_Weight	172.09
177708	Covalent_Unit_Count	1
19078026	Exact_Mass	99.068413911
57656641	Mono_Isotopic_Weight	414.1589315
2723654	Total_Formal_Charge	0
65464	Structure_Complexity	344
14045178	Covalent_Unit_Count	1
44422352	Defined_Bond_Stereo_Count	0
23989	Exact_Mass	238.05079
3763	Non-hydrogen_Atom_Count	10
88922160	Covalent_Unit_Count	3
63002	Non-hydrogen_Atom_Count	38
15367	Mono_Isotopic_Weight	102.05032149
68933	Exact_Mass	264.06809681
135968625	XLogP3-AA	6.7
107867	Undefined_Atom_Stereo_Count	1
10820489	Molecular_Weight	111.14
734999	Non-hydrogen_Atom_Count	24
11970261	Defined_Bond_Stereo_Count	3
68975085	Exact_Mass	86.084398327
91166883	Structure_Complexity	124
84866	Non-hydrogen_Atom_Count	14
53701416	Covalent_Unit_Count	1
90956916	Non-hydrogen_Atom_Count	8
118505252	Defined_Atom_Stereo_Count	0
146472812	Mono_Isotopic_Weight	486.0841144
46187519	XLogP3-AA	4.6
8482	Total_Formal_Charge	0
72323	Mono_Isotopic_Weight	338.13923312
64991794	Isotope_Atom_Count	0
167845	Total_Formal_Charge	0
10197625	Exact_Mass	89.084063974
148763531	Exact_Mass	107.048347172
319954	Defined_Atom_Stereo_Count	0
21895383	Defined_Bond_Stereo_Count	0
87425	Isotope_Atom_Count	0
61044	Tautomer_Count	1
136304	Covalent_Unit_Count	1
6815	Isotope_Atom_Count	0
44592366	Structure_Complexity	404
57707	Hydrogen_Bond_Acceptor_Count	3
134692587	Exact_Mass	861.50858530
62504	Defined_Atom_Stereo_Count	0
43795	Exact_Mass	355.12805404
11697676	Hydrogen_Bond_Donor_Count	1
145731381	TPSA	240
44590447	Defined_Bond_Stereo_Count	0
55067	Non-hydrogen_Atom_Count	10
20725980	Rotatable_Bond_Count	26
440927	Defined_Bond_Stereo_Count	0
123358	Isotope_Atom_Count	0
14671573	Structure_Complexity	70.8
16219954	Total_Formal_Charge	0
15533	Isotope_Atom_Count	0
22836365	Structure_Complexity	151
6717	Structure_Complexity	461
168447	Structure_Complexity	116
4594378	Non-hydrogen_Atom_Count	15
57656657	Undefined_Bond_Stereo_Count	0
123239743	Rotatable_Bond_Count	1
115219	TPSA	137
12576587	Covalent_Unit_Count	1
57136377	Structure_Complexity	62.7
8080	Undefined_Bond_Stereo_Count	0
58902739	Isotope_Atom_Count	0
51051629	Undefined_Bond_Stereo_Count	0
25160	TPSA	46.6
446715	Defined_Bond_Stereo_Count	0
10258659	Isotope_Atom_Count	0
2296	Mono_Isotopic_Weight	491.20563565
5743396	Mono_Isotopic_Weight	113.02992040
7375	Tautomer_Count	1
33184	Undefined_Atom_Stereo_Count	0
15546	Molecular_Weight	221.64
6918160	Isotope_Atom_Count	0
18506428	Defined_Bond_Stereo_Count	0
89651175	Defined_Bond_Stereo_Count	0
421442	Covalent_Unit_Count	1
549405	Defined_Atom_Stereo_Count	0
137849	Total_Formal_Charge	0
136183446	XLogP3-AA	5.4
99451	Rotatable_Bond_Count	0
9886249	Molecular_Weight	382.4
10788	Undefined_Bond_Stereo_Count	0
13415147	Mono_Isotopic_Weight	118.074227566
14536538	XLogP3-AA	4.9
127832	Total_Formal_Charge	0
21868524	Isotope_Atom_Count	0
10532	Mono_Isotopic_Weight	535.17221
594832	Structure_Complexity	193
456389	Covalent_Unit_Count	1
443003	TPSA	60.8
526950	Mono_Isotopic_Weight	110.036779430
73182	Tautomer_Count	1
3781	Covalent_Unit_Count	1
54280	Total_Formal_Charge	0
25171665	Hydrogen_Bond_Acceptor_Count	9
77533	Structure_Complexity	201
442431	Rotatable_Bond_Count	6
47455	Non-hydrogen_Atom_Count	21
3933	Mono_Isotopic_Weight	649.7822
65681	Molecular_Weight	236.27
248271	Total_Formal_Charge	0
33672	Isotope_Atom_Count	0
85122	Rotatable_Bond_Count	1
57394330	Defined_Atom_Stereo_Count	3
3533588	Hydrogen_Bond_Donor_Count	2
87704774	Non-hydrogen_Atom_Count	14
150899	Isotope_Atom_Count	0
13584912	Non-hydrogen_Atom_Count	15
91486	Total_Formal_Charge	0
25211988	Rotatable_Bond_Count	4
5497143	Defined_Atom_Stereo_Count	5
101815863	Hydrogen_Bond_Donor_Count	2
10844367	Defined_Atom_Stereo_Count	0
22160808	Non-hydrogen_Atom_Count	8
71481106	Hydrogen_Bond_Donor_Count	2
45484135	Rotatable_Bond_Count	12
453307	Molecular_Weight	254.29
6918149	Structure_Complexity	543
12560816	Undefined_Atom_Stereo_Count	0
5736	Defined_Atom_Stereo_Count	0
37274	Molecular_Weight	325.79
86929	Total_Formal_Charge	0
135398729	Exact_Mass	237.08618923
9958188	Covalent_Unit_Count	1
25208	Undefined_Atom_Stereo_Count	2
129630422	Structure_Complexity	1410
61508	Undefined_Atom_Stereo_Count	0
44629681	TPSA	107
10796703	Isotope_Atom_Count	0
22834549	Hydrogen_Bond_Donor_Count	49
86830	Molecular_Weight	523.5
165363121	Undefined_Bond_Stereo_Count	0
54311720	Undefined_Bond_Stereo_Count	0
11126249	XLogP3-AA	2.3
70815	Structure_Complexity	239
11586735	TPSA	54.7
12001831	TPSA	97.3
3852430	Undefined_Atom_Stereo_Count	0
71584165	Total_Formal_Charge	0
153852218	Hydrogen_Bond_Acceptor_Count	2
3677	Tautomer_Count	1
2771	Exact_Mass	324.16379146
85254	Molecular_Weight	107.07
33184	Mono_Isotopic_Weight	74.048012819
3971	XLogP3-AA	2.8
46	Isotope_Atom_Count	0
9845622	Total_Formal_Charge	0
1561	Undefined_Atom_Stereo_Count	0
161930	Total_Formal_Charge	0
69342023	TPSA	76.7
89525526	Molecular_Weight	136.19
22859	Isotope_Atom_Count	0
3941	Defined_Atom_Stereo_Count	0
5702098	Hydrogen_Bond_Acceptor_Count	3
21180	Non-hydrogen_Atom_Count	16
2733	Isotope_Atom_Count	0
3634	Total_Formal_Charge	0
3035914	Exact_Mass	258.15929460
24762165	Undefined_Atom_Stereo_Count	0
12105	Defined_Bond_Stereo_Count	0
101120059	Mono_Isotopic_Weight	268.125200510
12124	Defined_Atom_Stereo_Count	0
2762	TPSA	88.4
163090690	Exact_Mass	842.51400504
21343371	Molecular_Weight	84.12
107697	Hydrogen_Bond_Donor_Count	2
98614	Rotatable_Bond_Count	0
6918474	Undefined_Atom_Stereo_Count	0
6427102	Undefined_Bond_Stereo_Count	0
715568	Total_Formal_Charge	0
117295	Defined_Bond_Stereo_Count	0
15864840	Isotope_Atom_Count	0
59907918	Non-hydrogen_Atom_Count	23
18431843	Hydrogen_Bond_Donor_Count	0
11477651	Isotope_Atom_Count	0
107963	Isotope_Atom_Count	0
638021	TPSA	12
2222	Non-hydrogen_Atom_Count	53
5362894	Hydrogen_Bond_Donor_Count	0
56846351	Total_Formal_Charge	0
79535	Molecular_Weight	232.36
58098237	Defined_Atom_Stereo_Count	0
10374415	XLogP3-AA	1.2
21202	Undefined_Atom_Stereo_Count	0
10892	XLogP3	2.2
33190	Hydrogen_Bond_Acceptor_Count	12
14669	Rotatable_Bond_Count	4
5351564	Undefined_Atom_Stereo_Count	0
10215	Undefined_Atom_Stereo_Count	0
66577116	Undefined_Atom_Stereo_Count	1
90471707	Defined_Bond_Stereo_Count	0
158726884	Molecular_Weight	108.14
115260	Undefined_Atom_Stereo_Count	0
102429819	Defined_Bond_Stereo_Count	0
5460495	Structure_Complexity	90.4
44571915	Undefined_Bond_Stereo_Count	0
123804812	Mono_Isotopic_Weight	94.078250319
24014	Isotope_Atom_Count	0
30550	Structure_Complexity	651
5464265	Tautomer_Count	1
14592758	Covalent_Unit_Count	1
9322	Exact_Mass	57.97514518
2724235	Total_Formal_Charge	0
93128	TPSA	35.5
10930781	Defined_Atom_Stereo_Count	2
46274	Hydrogen_Bond_Donor_Count	1
73094	Covalent_Unit_Count	1
154058	Defined_Atom_Stereo_Count	2
5280933	XLogP3-AA	5.9
6436015	Exact_Mass	390.1234015
2741326	Structure_Complexity	227
19896519	Defined_Atom_Stereo_Count	0
10678204	Undefined_Atom_Stereo_Count	1
8966	XLogP3-AA	3.6
16131448	Molecular_Weight	1809.0
71306834	Isotope_Atom_Count	0
162117	Total_Formal_Charge	0
693315	Undefined_Bond_Stereo_Count	1
31952	Covalent_Unit_Count	1
54378261	Total_Formal_Charge	0
12943941	Hydrogen_Bond_Acceptor_Count	2
10932	TPSA	63.3
497100	Rotatable_Bond_Count	2
124201874	Undefined_Atom_Stereo_Count	1
5497186	Defined_Atom_Stereo_Count	4
3050408	Mono_Isotopic_Weight	457.05554083
171970	Hydrogen_Bond_Donor_Count	1
68352	Hydrogen_Bond_Acceptor_Count	2
42807	Isotope_Atom_Count	0
564996	Mono_Isotopic_Weight	270.02554
947	XLogP3-AA	0.1
9958041	Tautomer_Count	2
5289247	Undefined_Bond_Stereo_Count	0
107647	Rotatable_Bond_Count	5
10701	Non-hydrogen_Atom_Count	8
66908038	Isotope_Atom_Count	0
123400613	Defined_Bond_Stereo_Count	0
131673970	TPSA	85.4
96420	Defined_Bond_Stereo_Count	0
68260833	Mono_Isotopic_Weight	112.088815002
24759089	Undefined_Atom_Stereo_Count	0
130545	Tautomer_Count	1
135491830	Undefined_Bond_Stereo_Count	0
24202578	Tautomer_Count	479
12096001	Structure_Complexity	688
8557	Covalent_Unit_Count	1
644113	Total_Formal_Charge	0
28114	Molecular_Weight	110.11
9804302	Covalent_Unit_Count	1
27430	Mono_Isotopic_Weight	359.1652068
3047046	Mono_Isotopic_Weight	1438.56054879
51605	Undefined_Atom_Stereo_Count	0
138335	Defined_Atom_Stereo_Count	0
6809	Hydrogen_Bond_Donor_Count	1
62374	Structure_Complexity	246
24866515	Hydrogen_Bond_Acceptor_Count	7
6413	Hydrogen_Bond_Donor_Count	0
51003592	Undefined_Bond_Stereo_Count	0
48346	Covalent_Unit_Count	1
221523	TPSA	9.2
45277565	Defined_Bond_Stereo_Count	0
124316	Undefined_Atom_Stereo_Count	0
55286536	Defined_Bond_Stereo_Count	0
3317081	XLogP3-AA	3.2
28459	Rotatable_Bond_Count	7
5702044	Undefined_Atom_Stereo_Count	6
72196	Undefined_Bond_Stereo_Count	0
79946	Defined_Atom_Stereo_Count	0
12731	Structure_Complexity	19.9
66644	Defined_Atom_Stereo_Count	0
61986	Covalent_Unit_Count	2
86747	Covalent_Unit_Count	1
7366	Molecular_Weight	134.22
12590456	Non-hydrogen_Atom_Count	7
129508	TPSA	87.7
58031952	Defined_Bond_Stereo_Count	0
2734167	TPSA	8.8
19935257	Non-hydrogen_Atom_Count	7
255	Undefined_Bond_Stereo_Count	0
12541465	Molecular_Weight	166.60
129834519	Undefined_Atom_Stereo_Count	5
6619	Non-hydrogen_Atom_Count	21
4616292	Undefined_Atom_Stereo_Count	5
141758021	Mono_Isotopic_Weight	112.052429494
42645248	Defined_Bond_Stereo_Count	0
69333875	Undefined_Atom_Stereo_Count	0
53757199	Covalent_Unit_Count	1
62217	Exact_Mass	263.094628657
3322	Hydrogen_Bond_Donor_Count	1
7752	Rotatable_Bond_Count	2
102146446	Exact_Mass	115.123523487
8794	Hydrogen_Bond_Acceptor_Count	1
156599083	Defined_Bond_Stereo_Count	1
16759993	Structure_Complexity	457
493662	TPSA	331
66903	Rotatable_Bond_Count	18
170361	Non-hydrogen_Atom_Count	16
49597	Hydrogen_Bond_Acceptor_Count	5
5379102	Exact_Mass	113.084063974
36023	TPSA	23.8
44342925	Total_Formal_Charge	0
9949848	Exact_Mass	340.240230259
135527345	Defined_Bond_Stereo_Count	0
12711601	Covalent_Unit_Count	1
12393928	Hydrogen_Bond_Acceptor_Count	3
689816	Hydrogen_Bond_Acceptor_Count	3
8249	TPSA	103
25245711	Molecular_Weight	889.7
4551	Rotatable_Bond_Count	0
10129907	Structure_Complexity	79
3082042	Tautomer_Count	256
219081	Defined_Bond_Stereo_Count	0
56840904	Non-hydrogen_Atom_Count	29
5282761	Undefined_Bond_Stereo_Count	0
57053600	Mono_Isotopic_Weight	87.032028402
21070	Rotatable_Bond_Count	7
60652	Structure_Complexity	380
135431223	Covalent_Unit_Count	1
56934415	Non-hydrogen_Atom_Count	47
4262071	Undefined_Atom_Stereo_Count	5
137073	Covalent_Unit_Count	1
152754843	Total_Formal_Charge	0
90181814	Total_Formal_Charge	0
1340	Molecular_Weight	161.16
5002	Rotatable_Bond_Count	6
136091	Rotatable_Bond_Count	0
74682	Undefined_Atom_Stereo_Count	0
965784	XLogP3-AA	4
876	Defined_Bond_Stereo_Count	0
12114682	Defined_Atom_Stereo_Count	2
984396	Isotope_Atom_Count	0
11114	Exact_Mass	272.1291556
8579	Defined_Bond_Stereo_Count	0
447634	Undefined_Atom_Stereo_Count	0
11326613	Defined_Atom_Stereo_Count	0
70122	Isotope_Atom_Count	0
141427445	Hydrogen_Bond_Donor_Count	0
35810	TPSA	31.7
11957491	Total_Formal_Charge	0
143403310	Total_Formal_Charge	0
58055	Total_Formal_Charge	0
65302	Structure_Complexity	1110
12224	Non-hydrogen_Atom_Count	4
12302673	Hydrogen_Bond_Acceptor_Count	11
53321036	Molecular_Weight	270.33
129738943	Structure_Complexity	129
11519741	Exact_Mass	563.07996
44531649	Hydrogen_Bond_Acceptor_Count	4
3000391	Rotatable_Bond_Count	0
15817734	TPSA	34.5
11249248	Undefined_Atom_Stereo_Count	0
6971127	Molecular_Weight	128.21
3038501	Undefined_Atom_Stereo_Count	0
101181995	Rotatable_Bond_Count	6
5319765	Hydrogen_Bond_Acceptor_Count	3
154496863	TPSA	190
8831	XLogP3-AA	3.2
21996048	Structure_Complexity	88.4
53628842	Exact_Mass	169.0658271
148089453	TPSA	26.3
23657846	Isotope_Atom_Count	0
10134310	Exact_Mass	379.12019195
21684469	Defined_Atom_Stereo_Count	0
779179	Non-hydrogen_Atom_Count	25
79856	Mono_Isotopic_Weight	166.062994177
6419928	Undefined_Atom_Stereo_Count	0
6857473	Defined_Bond_Stereo_Count	0
16687470	Covalent_Unit_Count	1
142507	Total_Formal_Charge	0
36014	Tautomer_Count	1
44567097	Total_Formal_Charge	0
67121664	Exact_Mass	112.088815002
13101	Covalent_Unit_Count	1
1613	Non-hydrogen_Atom_Count	29
4348	Molecular_Weight	151.21
300	Defined_Atom_Stereo_Count	0
11268547	Non-hydrogen_Atom_Count	25
146159220	Hydrogen_Bond_Acceptor_Count	20
16767284	XLogP3-AA	1
11271730	Molecular_Weight	388.6
54684598	Covalent_Unit_Count	1
21720742	XLogP3-AA	0.7
15951	Hydrogen_Bond_Acceptor_Count	5
51357128	Defined_Atom_Stereo_Count	1
16155604	Defined_Atom_Stereo_Count	19
2734180	Hydrogen_Bond_Acceptor_Count	5
104865206	Rotatable_Bond_Count	2
8508	Hydrogen_Bond_Acceptor_Count	7
18850	Undefined_Atom_Stereo_Count	0
17948845	TPSA	72.2
75581	Rotatable_Bond_Count	0
12302691	Total_Formal_Charge	0
25058167	Hydrogen_Bond_Donor_Count	1
4858	Rotatable_Bond_Count	3
9906614	Exact_Mass	354.21949481
3811100	Covalent_Unit_Count	1
4816	Undefined_Atom_Stereo_Count	8
53393738	Molecular_Weight	266.0
66304	Tautomer_Count	1
11061	TPSA	45.6
11682247	XLogP3-AA	3.4
9984441	Defined_Atom_Stereo_Count	3
17445	Mono_Isotopic_Weight	264.07799279
23691021	Isotope_Atom_Count	0
6770	Total_Formal_Charge	0
60196420	Rotatable_Bond_Count	0
49505	Defined_Atom_Stereo_Count	0
69536	Defined_Bond_Stereo_Count	0
5249877	Defined_Atom_Stereo_Count	0
6321414	Rotatable_Bond_Count	13
129722292	Undefined_Atom_Stereo_Count	1
65345	Defined_Atom_Stereo_Count	9
12202794	Mono_Isotopic_Weight	115.063328530
3894573	Defined_Atom_Stereo_Count	0
20352	Tautomer_Count	1
18502	Isotope_Atom_Count	0
25561	Hydrogen_Bond_Acceptor_Count	4
29742	Covalent_Unit_Count	1
139134	Mono_Isotopic_Weight	105.032697108
46937059	Mono_Isotopic_Weight	281.10519334
374	Defined_Atom_Stereo_Count	0
390658	Isotope_Atom_Count	0
43818	Structure_Complexity	372
12285866	Isotope_Atom_Count	1
23354329	Non-hydrogen_Atom_Count	8
71112644	Undefined_Bond_Stereo_Count	0
60203	Defined_Bond_Stereo_Count	0
118011485	Structure_Complexity	415
23103323	Defined_Atom_Stereo_Count	0
60561	Rotatable_Bond_Count	11
71624688	Hydrogen_Bond_Acceptor_Count	3
3033332	Undefined_Atom_Stereo_Count	0
66016	Exact_Mass	178.146998583
6918160	Tautomer_Count	1
449362	Exact_Mass	991.32922577
23471	Covalent_Unit_Count	1
16220118	Hydrogen_Bond_Acceptor_Count	3
45358158	Undefined_Atom_Stereo_Count	3
134693234	Undefined_Bond_Stereo_Count	0
439518	Structure_Complexity	710
40146	Hydrogen_Bond_Donor_Count	1
22349965	Undefined_Atom_Stereo_Count	0
3032307	Rotatable_Bond_Count	6
12550332	Non-hydrogen_Atom_Count	7
5318042	Mono_Isotopic_Weight	100.088815002
1470715	Defined_Bond_Stereo_Count	0
12260	Undefined_Bond_Stereo_Count	0
53297414	Isotope_Atom_Count	0
669846	Isotope_Atom_Count	0
133665799	Covalent_Unit_Count	1
76739	Isotope_Atom_Count	0
550642	Total_Formal_Charge	0
8663	Exact_Mass	144.057514874
10341154	Rotatable_Bond_Count	4
3017748	Isotope_Atom_Count	0
74615	Defined_Atom_Stereo_Count	0
96865	TPSA	29.1
94418	Covalent_Unit_Count	1
13021	Structure_Complexity	84.3
185818	TPSA	123
13639661	Hydrogen_Bond_Donor_Count	1
579338	Molecular_Weight	123.15
115157	Rotatable_Bond_Count	22
11332442	Undefined_Bond_Stereo_Count	0
10256440	Non-hydrogen_Atom_Count	38
480242	Exact_Mass	214.07020481
54562	Covalent_Unit_Count	1
73759759	Undefined_Atom_Stereo_Count	4
524681	Rotatable_Bond_Count	2
12867435	Total_Formal_Charge	0
3109	Tautomer_Count	1
15765	Defined_Atom_Stereo_Count	0
20633892	Non-hydrogen_Atom_Count	8
12723433	Structure_Complexity	78.6
21893333	Defined_Bond_Stereo_Count	0
60207729	Hydrogen_Bond_Donor_Count	1
13404	Covalent_Unit_Count	1
54704426	Non-hydrogen_Atom_Count	33
941651	Undefined_Atom_Stereo_Count	0
72693	Tautomer_Count	24
71435	Covalent_Unit_Count	3
145994872	Covalent_Unit_Count	2
5463858	Exact_Mass	303.14705815
6918178	Hydrogen_Bond_Acceptor_Count	7
55290041	Molecular_Weight	115.13
56659	Mono_Isotopic_Weight	245.08743528
6915732	Hydrogen_Bond_Donor_Count	5
2723706	XLogP3-AA	1.2
439285	Defined_Bond_Stereo_Count	0
165339	Structure_Complexity	86.6
53896476	Exact_Mass	135.104799419
8877	Covalent_Unit_Count	3
12661198	Rotatable_Bond_Count	1
85989631	Isotope_Atom_Count	0
11286436	Molecular_Weight	73.09
6432115	Hydrogen_Bond_Donor_Count	0
44201343	Total_Formal_Charge	0
10066	Mono_Isotopic_Weight	361.875716
9874875	Hydrogen_Bond_Acceptor_Count	4
4451502	Mono_Isotopic_Weight	88.016043985
10313102	Isotope_Atom_Count	0
25055	Structure_Complexity	45.8
3758	Hydrogen_Bond_Donor_Count	1
132846	TPSA	21.3
14077	TPSA	26.8
62779	Undefined_Atom_Stereo_Count	0
87565291	Undefined_Bond_Stereo_Count	0
67534	Undefined_Bond_Stereo_Count	0
44578617	Undefined_Atom_Stereo_Count	0
22047	Undefined_Bond_Stereo_Count	0
10243599	Molecular_Weight	245.28
5311381	Hydrogen_Bond_Donor_Count	2
20578853	Undefined_Atom_Stereo_Count	2
135413528	Undefined_Atom_Stereo_Count	0
102366731	Rotatable_Bond_Count	3
80779	TPSA	64.4
129695690	Undefined_Atom_Stereo_Count	2
69497	Covalent_Unit_Count	1
58084	Tautomer_Count	1
135925740	Rotatable_Bond_Count	5
653145	Defined_Bond_Stereo_Count	0
135413511	Hydrogen_Bond_Donor_Count	1
123668737	TPSA	58.3
14295	Rotatable_Bond_Count	2
105426928	Non-hydrogen_Atom_Count	7
6016	Exact_Mass	299.15819492
4449	Mono_Isotopic_Weight	469.2244530
10597	Undefined_Bond_Stereo_Count	0
181138	Mono_Isotopic_Weight	186.115698455
3346	Exact_Mass	278.02002368
45266598	Exact_Mass	833.12577494
1476857	Non-hydrogen_Atom_Count	18
4205685	Undefined_Bond_Stereo_Count	0
86429	XLogP3-AA	3.6
49865493	Exact_Mass	305.116426730
4042	Rotatable_Bond_Count	3
12209	Undefined_Atom_Stereo_Count	1
66036956	XLogP3-AA	0
162990684	Undefined_Bond_Stereo_Count	0
37459	Non-hydrogen_Atom_Count	27
67502	Undefined_Atom_Stereo_Count	0
91855653	Rotatable_Bond_Count	4
74041115	Molecular_Weight	96.17
87452564	Exact_Mass	116.047344113
74361	Total_Formal_Charge	0
39953	Rotatable_Bond_Count	3
572565	TPSA	57.4
23866	Defined_Bond_Stereo_Count	0
82418995	Hydrogen_Bond_Donor_Count	1
73603	Defined_Bond_Stereo_Count	0
12285868	Isotope_Atom_Count	0
34148	Exact_Mass	368.11774614
720637	Undefined_Atom_Stereo_Count	0
289	Exact_Mass	110.036779430
459140	Exact_Mass	314.105527694
57394836	Molecular_Weight	487.4
20702319	Structure_Complexity	111
73271	TPSA	95.5
220376	Undefined_Atom_Stereo_Count	0
53317194	Defined_Atom_Stereo_Count	0
6420038	Rotatable_Bond_Count	7
53346602	Isotope_Atom_Count	0
516875	Undefined_Bond_Stereo_Count	0
68184523	Exact_Mass	106.041864811
4180	Mono_Isotopic_Weight	293.03675924
15910	Isotope_Atom_Count	0
34319	Defined_Atom_Stereo_Count	0
87931798	Rotatable_Bond_Count	2
18779032	Hydrogen_Bond_Donor_Count	4
173730	Molecular_Weight	115.05
1746	TPSA	79.8
3081905	Exact_Mass	1384.72384215
3690	Defined_Bond_Stereo_Count	0
92416	Hydrogen_Bond_Acceptor_Count	4
6327869	Hydrogen_Bond_Acceptor_Count	1
440277	Rotatable_Bond_Count	8
22866	Covalent_Unit_Count	3
296051	Defined_Atom_Stereo_Count	0
13879722	Total_Formal_Charge	0
132274234	TPSA	557
501728	Undefined_Bond_Stereo_Count	0
123134263	Rotatable_Bond_Count	15
16220061	Rotatable_Bond_Count	12
11829	Isotope_Atom_Count	0
349252	Hydrogen_Bond_Acceptor_Count	2
838844	Exact_Mass	237.97418
5324	Hydrogen_Bond_Donor_Count	3
565082	Hydrogen_Bond_Acceptor_Count	3
77037484	TPSA	41.8
49862577	TPSA	57.8
40000	Rotatable_Bond_Count	4
110976	Covalent_Unit_Count	1
84179	Undefined_Bond_Stereo_Count	0
66545744	Isotope_Atom_Count	0
5288998	Isotope_Atom_Count	0
13332726	Exact_Mass	98.048012819
8060	Tautomer_Count	1
70693116	Non-hydrogen_Atom_Count	31
21680724	Undefined_Bond_Stereo_Count	0
9823293	Defined_Bond_Stereo_Count	0
8121	Defined_Atom_Stereo_Count	0
117938207	Non-hydrogen_Atom_Count	12
713762	XLogP3-AA	5.2
60196290	Rotatable_Bond_Count	10
21893625	Defined_Atom_Stereo_Count	0
48558	Isotope_Atom_Count	0
71814	Hydrogen_Bond_Donor_Count	0
51017507	Exact_Mass	1201.84136802
45410	Non-hydrogen_Atom_Count	19
44669160	TPSA	91.8
33094	Molecular_Weight	150.17
94926	Hydrogen_Bond_Acceptor_Count	4
71450114	Defined_Atom_Stereo_Count	2
248333	Total_Formal_Charge	0
115071571	Structure_Complexity	94.7
16684171	Non-hydrogen_Atom_Count	5
24848321	Molecular_Weight	289.4
69689	Tautomer_Count	3
21863610	Defined_Atom_Stereo_Count	0
56668950	Non-hydrogen_Atom_Count	38
46841499	Undefined_Bond_Stereo_Count	0
4371	Molecular_Weight	808.5
115236	Molecular_Weight	315.39
6360	Undefined_Atom_Stereo_Count	0
135975	TPSA	0
23349	Covalent_Unit_Count	1
3667129	Isotope_Atom_Count	0
25067411	Covalent_Unit_Count	1
46937142	Tautomer_Count	1
57227	Mono_Isotopic_Weight	250.191937398
3456	Defined_Atom_Stereo_Count	0
28693	Exact_Mass	403.22597718
3622	Exact_Mass	290.17561863
10379137	Total_Formal_Charge	0
21126175	Isotope_Atom_Count	0
58468	Rotatable_Bond_Count	9
4273	TPSA	86.1
54705095	Hydrogen_Bond_Acceptor_Count	11
156599244	XLogP3-AA	5.1
17825268	Hydrogen_Bond_Acceptor_Count	3
6434112	Molecular_Weight	416.6
5353521	Total_Formal_Charge	0
126969108	Undefined_Atom_Stereo_Count	10
12653319	Exact_Mass	117.078978594
84063983	Hydrogen_Bond_Donor_Count	0
3791	Covalent_Unit_Count	1
23519852	Exact_Mass	366.06204624
452110	Rotatable_Bond_Count	40
4694097	Undefined_Bond_Stereo_Count	0
60199634	Structure_Complexity	726
1560	Total_Formal_Charge	0
26009888	Mono_Isotopic_Weight	113.058911855
44455117	Total_Formal_Charge	0
41170	Molecular_Weight	100.16
49869173	Covalent_Unit_Count	1
119097769	Non-hydrogen_Atom_Count	8
12933432	TPSA	50.8
77018	Defined_Bond_Stereo_Count	0
44590515	Undefined_Bond_Stereo_Count	0
13798887	Defined_Atom_Stereo_Count	3
133268468	Undefined_Atom_Stereo_Count	0
69985	Undefined_Atom_Stereo_Count	0
11652865	Exact_Mass	332.04669266
6537505	Tautomer_Count	1
18928374	Structure_Complexity	94
6436138	Defined_Atom_Stereo_Count	0
6473741	Total_Formal_Charge	0
3034043	Rotatable_Bond_Count	8
54418364	Covalent_Unit_Count	1
26235	XLogP3-AA	4.6
135421783	Total_Formal_Charge	1
85939688	XLogP3	5.8
7485	TPSA	55
5702220	Defined_Atom_Stereo_Count	0
4421	Hydrogen_Bond_Donor_Count	1
6148	Covalent_Unit_Count	1
13807316	Isotope_Atom_Count	0
4216	Hydrogen_Bond_Acceptor_Count	4
8365	Rotatable_Bond_Count	3
8954	Hydrogen_Bond_Donor_Count	2
5361192	Structure_Complexity	327
12452564	Hydrogen_Bond_Acceptor_Count	1
9819356	XLogP3-AA	4.5
5702238	Undefined_Bond_Stereo_Count	0
6584	Isotope_Atom_Count	0
89453139	Non-hydrogen_Atom_Count	8
146779553	Exact_Mass	108.093900383
8035	Undefined_Bond_Stereo_Count	0
21162824	Hydrogen_Bond_Acceptor_Count	2
97994	Defined_Atom_Stereo_Count	0
67698	Defined_Bond_Stereo_Count	0
1548887	XLogP3	3.4
61663	Undefined_Atom_Stereo_Count	0
123467456	Rotatable_Bond_Count	1
17581	Defined_Atom_Stereo_Count	0
16760265	Hydrogen_Bond_Donor_Count	3
19362293	Total_Formal_Charge	0
129893980	Defined_Bond_Stereo_Count	0
941102	Mono_Isotopic_Weight	332.0927701
3681305	Molecular_Weight	95.979
632910	Covalent_Unit_Count	1
106823823	Exact_Mass	116.083729621
14341511	Non-hydrogen_Atom_Count	8
85328	Molecular_Weight	277.28
2548	Isotope_Atom_Count	0
2723704	Mono_Isotopic_Weight	90.02516937
21466942	Hydrogen_Bond_Acceptor_Count	3
139060478	Undefined_Bond_Stereo_Count	0
76964745	Isotope_Atom_Count	0
71622	Defined_Atom_Stereo_Count	0
71455485	Molecular_Weight	498.0
77013	Undefined_Bond_Stereo_Count	0
20312691	Hydrogen_Bond_Acceptor_Count	3
3743617	Undefined_Bond_Stereo_Count	0
139595131	Structure_Complexity	756
65825	TPSA	6.5
73698	Mono_Isotopic_Weight	236.083729621
10942338	XLogP3-AA	0.3
925642	Mono_Isotopic_Weight	231.11201006
12308	Hydrogen_Bond_Acceptor_Count	1
10967532	Total_Formal_Charge	0
23350	Non-hydrogen_Atom_Count	7
688938	Defined_Atom_Stereo_Count	0
5152	Undefined_Atom_Stereo_Count	1
10746	Hydrogen_Bond_Acceptor_Count	3
12540922	Exact_Mass	112.088815002
48640	Covalent_Unit_Count	3
139977	Undefined_Bond_Stereo_Count	0
9266	Molecular_Weight	112.21
7274	Defined_Atom_Stereo_Count	0
64456	Exact_Mass	224.13471982
6400	Defined_Atom_Stereo_Count	0
71437196	Defined_Bond_Stereo_Count	0
65411	XLogP3-AA	0.7
10256440	Hydrogen_Bond_Acceptor_Count	9
45467	Defined_Atom_Stereo_Count	0
66414	Defined_Bond_Stereo_Count	0
100427	Total_Formal_Charge	0
4160	Hydrogen_Bond_Acceptor_Count	2
12313817	Hydrogen_Bond_Donor_Count	0
452550	Hydrogen_Bond_Acceptor_Count	15
71489	Mono_Isotopic_Weight	416.14633
108032	Covalent_Unit_Count	1
7000	Undefined_Bond_Stereo_Count	0
10429254	Molecular_Weight	370.5
2734225	Tautomer_Count	1
114612	Undefined_Atom_Stereo_Count	0
4628	Structure_Complexity	446
228506	Covalent_Unit_Count	1
54535780	Exact_Mass	95.073499291
82607	Undefined_Bond_Stereo_Count	0
131430882	Defined_Bond_Stereo_Count	0
46943432	XLogP3-AA	2.9
6259976	TPSA	26.3
216262	Molecular_Weight	399.5
139080230	Defined_Bond_Stereo_Count	2
7520	Exact_Mass	124.03467143
641245	Hydrogen_Bond_Acceptor_Count	0
85531465	Undefined_Bond_Stereo_Count	0
18683510	Isotope_Atom_Count	0
122214038	Total_Formal_Charge	0
190217	Non-hydrogen_Atom_Count	1
97120	Defined_Atom_Stereo_Count	0
13400658	Isotope_Atom_Count	0
5941539	Molecular_Weight	390.5
11332503	Tautomer_Count	1
398516	Mono_Isotopic_Weight	380.13069707
42890	Undefined_Bond_Stereo_Count	0
736	Defined_Bond_Stereo_Count	0
5071450	Mono_Isotopic_Weight	157.04874109
7026	Undefined_Atom_Stereo_Count	0
40807	TPSA	177
67556876	Defined_Bond_Stereo_Count	1
82891	Undefined_Atom_Stereo_Count	0
118689593	Structure_Complexity	1220
79128	XLogP3-AA	2.3
15020	Defined_Atom_Stereo_Count	8
866607	Non-hydrogen_Atom_Count	23
448123	Covalent_Unit_Count	1
11525116	Hydrogen_Bond_Donor_Count	2
71667668	Total_Formal_Charge	0
71773	Defined_Bond_Stereo_Count	0
141053308	Mono_Isotopic_Weight	100.052429494
21139920	Undefined_Bond_Stereo_Count	0
123678021	Total_Formal_Charge	0
4570	Non-hydrogen_Atom_Count	24
15408	Total_Formal_Charge	0
404566	Molecular_Weight	315.5
23279022	Structure_Complexity	50
13721252	Hydrogen_Bond_Acceptor_Count	3
54419673	Hydrogen_Bond_Donor_Count	1
1964	Defined_Bond_Stereo_Count	0
42078	Defined_Bond_Stereo_Count	0
60155100	Hydrogen_Bond_Acceptor_Count	7
82507	Defined_Atom_Stereo_Count	0
1993	Hydrogen_Bond_Acceptor_Count	2
20699949	Non-hydrogen_Atom_Count	8
84463	Rotatable_Bond_Count	6
24883466	Rotatable_Bond_Count	15
59653	Total_Formal_Charge	0
6515535	Isotope_Atom_Count	0
54758035	Hydrogen_Bond_Donor_Count	1
14511497	Covalent_Unit_Count	1
91482	Defined_Bond_Stereo_Count	0
118305111	Defined_Bond_Stereo_Count	0
33377	Structure_Complexity	76.2
6433588	TPSA	89.8
705672	Molecular_Weight	348.4
6560	Hydrogen_Bond_Acceptor_Count	1
3824	Defined_Bond_Stereo_Count	0
66062	Molecular_Weight	407.0
10002900	Rotatable_Bond_Count	6
78596	Isotope_Atom_Count	0
10026007	Hydrogen_Bond_Acceptor_Count	8
118701498	Rotatable_Bond_Count	0
15758	Hydrogen_Bond_Acceptor_Count	2
54125476	Rotatable_Bond_Count	4
21999609	Total_Formal_Charge	0
60196279	Exact_Mass	622.14348889
70257	Defined_Bond_Stereo_Count	0
12669677	Non-hydrogen_Atom_Count	24
6452300	Hydrogen_Bond_Acceptor_Count	3
10662	Undefined_Atom_Stereo_Count	0
12295520	Undefined_Atom_Stereo_Count	0
4111803	Isotope_Atom_Count	0
10776235	Exact_Mass	236.1331784
24066	Tautomer_Count	3
23541	Undefined_Bond_Stereo_Count	0
41539	Non-hydrogen_Atom_Count	12
135492	Undefined_Bond_Stereo_Count	0
65977	Isotope_Atom_Count	0
15276695	Exact_Mass	99.068413911
283813	Structure_Complexity	109
64914374	Molecular_Weight	112.17
19787449	Covalent_Unit_Count	1
25015691	Molecular_Weight	504.6
19676	Isotope_Atom_Count	0
135458645	Hydrogen_Bond_Donor_Count	5
33746	Hydrogen_Bond_Acceptor_Count	3
657085	TPSA	124
54758308	Rotatable_Bond_Count	9
6918558	Defined_Bond_Stereo_Count	0
135529432	Hydrogen_Bond_Donor_Count	3
1201546	Molecular_Weight	133.20
3018598	Molecular_Weight	327.40
21501	Exact_Mass	163.038176411
87532	Undefined_Atom_Stereo_Count	0
14120450	XLogP3-AA	2.5
21789	Mono_Isotopic_Weight	191.094628657
21584531	Non-hydrogen_Atom_Count	5
23725123	Molecular_Weight	350.4
15325	XLogP3	2
156618074	Undefined_Bond_Stereo_Count	0
538972	Undefined_Atom_Stereo_Count	0
283654	Tautomer_Count	3
70700401	Non-hydrogen_Atom_Count	20
135456161	Undefined_Bond_Stereo_Count	0
79345	Defined_Atom_Stereo_Count	0
33254	Covalent_Unit_Count	3
78145	Hydrogen_Bond_Acceptor_Count	3
12146	XLogP3-AA	1.9
6330188	Undefined_Atom_Stereo_Count	0
12214987	Hydrogen_Bond_Donor_Count	0
54360	Molecular_Weight	418.4
123304439	Rotatable_Bond_Count	1
9909684	Undefined_Atom_Stereo_Count	0
56841794	Defined_Bond_Stereo_Count	0
29249	Molecular_Weight	326.5
359778	Defined_Bond_Stereo_Count	0
129860447	Exact_Mass	87.068413911
71196	Molecular_Weight	387.5
12302653	Mono_Isotopic_Weight	342.11621151
13379149	Defined_Bond_Stereo_Count	0
272625	Defined_Atom_Stereo_Count	0
138948	Isotope_Atom_Count	0
17820198	Defined_Bond_Stereo_Count	0
5283361	Total_Formal_Charge	0
131130	Hydrogen_Bond_Donor_Count	4
179822	TPSA	60.2
3028194	Defined_Bond_Stereo_Count	0
8657	Defined_Atom_Stereo_Count	0
928095	XLogP3-AA	1.1
4343483	Molecular_Weight	109.80
519415	TPSA	18.5
27979	XLogP3-AA	1.4
550922	Undefined_Bond_Stereo_Count	0
91427979	Hydrogen_Bond_Acceptor_Count	0
115017	Mono_Isotopic_Weight	152.062600255
135989	Hydrogen_Bond_Acceptor_Count	0
134825353	Structure_Complexity	795
102506015	Undefined_Bond_Stereo_Count	0
7012	Hydrogen_Bond_Donor_Count	1
158385	Defined_Atom_Stereo_Count	0
68321924	Covalent_Unit_Count	1
14532111	Non-hydrogen_Atom_Count	7
10643636	Covalent_Unit_Count	1
12674607	Molecular_Weight	85.15
85026	TPSA	3.9
709225	Exact_Mass	320.10956770
42613186	Molecular_Weight	592.7
71449859	Mono_Isotopic_Weight	600.2018590
642110	XLogP3	1.2
7873	Rotatable_Bond_Count	10
695314	Hydrogen_Bond_Acceptor_Count	4
88481084	XLogP3-AA	5.1
18908	XLogP3-AA	3.4
10197643	Hydrogen_Bond_Donor_Count	2
15942852	Mono_Isotopic_Weight	403.345029678
13462200	Defined_Bond_Stereo_Count	0
14017	Tautomer_Count	1
18055	Undefined_Bond_Stereo_Count	0
5359353	TPSA	49.8
12209629	Undefined_Bond_Stereo_Count	0
135942119	Undefined_Atom_Stereo_Count	0
10898648	Rotatable_Bond_Count	0
2345	TPSA	26.3
25982	Hydrogen_Bond_Acceptor_Count	3
4774	Non-hydrogen_Atom_Count	21
95402	Hydrogen_Bond_Acceptor_Count	2
56626310	Molecular_Weight	226.27
17522	TPSA	83.6
3058737	XLogP3	1.8
13795008	XLogP3-AA	0.6
53731118	Hydrogen_Bond_Donor_Count	2
14783	Isotope_Atom_Count	0
6957965	Non-hydrogen_Atom_Count	29
5388961	Total_Formal_Charge	0
95162202	Mono_Isotopic_Weight	342.11621151
21118222	Exact_Mass	303.0621982
7762	Undefined_Bond_Stereo_Count	0
54434340	Structure_Complexity	114
84072504	Total_Formal_Charge	0
3627	Defined_Atom_Stereo_Count	0
11054313	XLogP3-AA	3
13976498	Molecular_Weight	94.15
129848458	Total_Formal_Charge	0
1367	Hydrogen_Bond_Acceptor_Count	3
44310743	Total_Formal_Charge	0
17162	Hydrogen_Bond_Acceptor_Count	2
115011059	Hydrogen_Bond_Donor_Count	0
10931404	Mono_Isotopic_Weight	114.068079557
24233	Total_Formal_Charge	0
530132	Mono_Isotopic_Weight	217.092290636
74406	Structure_Complexity	147
5361250	Molecular_Weight	198.18
145994868	Total_Formal_Charge	0
134988089	Undefined_Atom_Stereo_Count	2
4369491	XLogP3-AA	3.5
11717074	Isotope_Atom_Count	0
53249535	Non-hydrogen_Atom_Count	26
10161305	Rotatable_Bond_Count	8
135987619	Undefined_Atom_Stereo_Count	0
4433698	TPSA	214
107144	Defined_Atom_Stereo_Count	0
119607	Rotatable_Bond_Count	3
439196	TPSA	42.5
90567	Hydrogen_Bond_Acceptor_Count	1
6918097	Covalent_Unit_Count	1
5808	Hydrogen_Bond_Acceptor_Count	4
139488	Mono_Isotopic_Weight	96.057514874
1505	Total_Formal_Charge	1
32503	Defined_Atom_Stereo_Count	0
164	Defined_Bond_Stereo_Count	0
10887868	Hydrogen_Bond_Acceptor_Count	2
60196261	Non-hydrogen_Atom_Count	24
76224067	Isotope_Atom_Count	0
9930243	Defined_Bond_Stereo_Count	0
25137901	Exact_Mass	908.36010511
67451737	Defined_Atom_Stereo_Count	0
54675785	Hydrogen_Bond_Donor_Count	6
177323	Mono_Isotopic_Weight	628.44647505
53696	Tautomer_Count	1
24901283	Undefined_Bond_Stereo_Count	0
14587284	Total_Formal_Charge	0
6227	Exact_Mass	137.93164
44412343	Non-hydrogen_Atom_Count	25
44563067	TPSA	105
146821604	Molecular_Weight	100.16
163050683	Undefined_Atom_Stereo_Count	0
62327	Isotope_Atom_Count	0
2137	Hydrogen_Bond_Donor_Count	1
413260	Undefined_Bond_Stereo_Count	0
157356129	Molecular_Weight	108.18
15983549	Exact_Mass	454.22162007
20542700	Structure_Complexity	112
3234	Undefined_Bond_Stereo_Count	1
59503411	Defined_Atom_Stereo_Count	3
2519	Total_Formal_Charge	0
1108	Non-hydrogen_Atom_Count	17
177336	Defined_Bond_Stereo_Count	0
13590	Molecular_Weight	98.15
6420138	Isotope_Atom_Count	0
92094	Rotatable_Bond_Count	12
70447162	Defined_Atom_Stereo_Count	0
32123	Hydrogen_Bond_Donor_Count	2
22061818	TPSA	52.9
4906	Non-hydrogen_Atom_Count	16
12832575	Undefined_Atom_Stereo_Count	2
91151945	Exact_Mass	342.11621151
80599	Hydrogen_Bond_Acceptor_Count	1
9830667	Mono_Isotopic_Weight	629.32470541
23268532	Hydrogen_Bond_Donor_Count	2
14308604	Total_Formal_Charge	0
67614074	Rotatable_Bond_Count	1
58095461	Exact_Mass	99.104799419
11051571	TPSA	20.2
9808844	Hydrogen_Bond_Donor_Count	2
107800	Rotatable_Bond_Count	7
135456190	Exact_Mass	328.15870608
19966	Defined_Bond_Stereo_Count	0
6762	Hydrogen_Bond_Donor_Count	0
22353151	Molecular_Weight	432.4
134008	Defined_Bond_Stereo_Count	0
5319879	Mono_Isotopic_Weight	356.29265975
47552	Hydrogen_Bond_Donor_Count	0
54014389	Mono_Isotopic_Weight	92.037448136
23080859	Hydrogen_Bond_Donor_Count	1
79450	Mono_Isotopic_Weight	136.063662883
45484184	Defined_Atom_Stereo_Count	0
9934492	Hydrogen_Bond_Donor_Count	7
86739056	XLogP3-AA	3
44295739	Undefined_Atom_Stereo_Count	0
9548634	Molecular_Weight	437.5
448002	Hydrogen_Bond_Donor_Count	2
13713368	TPSA	32.8
9265	Mono_Isotopic_Weight	98.109550447
27200	Covalent_Unit_Count	1
137644	Total_Formal_Charge	0
73557521	Defined_Bond_Stereo_Count	0
5289514	XLogP3-AA	4.2
70609968	Rotatable_Bond_Count	1
21743	Isotope_Atom_Count	0
51416813	Molecular_Weight	369.4
2724564	Total_Formal_Charge	0
4040	Molecular_Weight	135.19
12523672	TPSA	26
185460	Hydrogen_Bond_Acceptor_Count	5
1449	Hydrogen_Bond_Donor_Count	1
72732	Defined_Bond_Stereo_Count	0
78808	Non-hydrogen_Atom_Count	6
88793951	Isotope_Atom_Count	0
68385	Undefined_Atom_Stereo_Count	0
12389638	Molecular_Weight	94.15
78422631	Non-hydrogen_Atom_Count	14
13224	Total_Formal_Charge	0
53316388	Hydrogen_Bond_Donor_Count	2
11406590	Exact_Mass	388.13469677
72941505	Tautomer_Count	1
162990680	Isotope_Atom_Count	0
9908783	Molecular_Weight	397.4
24967621	Exact_Mass	481.23654186
15702065	XLogP3-AA	0
16536	Structure_Complexity	179
21339024	Exact_Mass	97.089149355
4581	Exact_Mass	153.078978594
445319	Hydrogen_Bond_Acceptor_Count	2
12991	Exact_Mass	70.041864811
46869955	Mono_Isotopic_Weight	409.14601278
137554722	Undefined_Bond_Stereo_Count	0
6918282	Molecular_Weight	489.0
17982851	Rotatable_Bond_Count	0
693315	Defined_Atom_Stereo_Count	0
11399764	Covalent_Unit_Count	1
233707	XLogP3-AA	0.8
567	Molecular_Weight	277.70
141429324	XLogP3-AA	0.5
14805	Total_Formal_Charge	0
54581861	Hydrogen_Bond_Donor_Count	1
31285	Non-hydrogen_Atom_Count	9
7567277	Non-hydrogen_Atom_Count	11
45381640	Undefined_Atom_Stereo_Count	0
114853	Exact_Mass	139.90545
124463365	Undefined_Atom_Stereo_Count	0
439280	Undefined_Bond_Stereo_Count	0
20772203	Mono_Isotopic_Weight	110.048012819
77011628	Hydrogen_Bond_Acceptor_Count	3
66100	Non-hydrogen_Atom_Count	16
5460307	Undefined_Atom_Stereo_Count	0
130035101	Mono_Isotopic_Weight	112.052429494
17954	Mono_Isotopic_Weight	285.13649347
44455083	XLogP3-AA	2.4
135418940	Structure_Complexity	505
25244017	Defined_Bond_Stereo_Count	0
58647035	Covalent_Unit_Count	1
519726	Hydrogen_Bond_Acceptor_Count	2
9793848	Rotatable_Bond_Count	3
42609610	Covalent_Unit_Count	2
11597697	Rotatable_Bond_Count	8
62334	Molecular_Weight	198.30
136097	Exact_Mass	111.104799419
863	XLogP3-AA	1
581206	Exact_Mass	170.130679813
9973981	Tautomer_Count	1
11112	Undefined_Bond_Stereo_Count	0
1368742	Total_Formal_Charge	0
74826	Mono_Isotopic_Weight	183.0581549
14970970	Isotope_Atom_Count	0
15561472	Covalent_Unit_Count	1
6030	Undefined_Atom_Stereo_Count	0
5323606	Molecular_Weight	96.13
19778654	Undefined_Atom_Stereo_Count	0
5288595	Hydrogen_Bond_Donor_Count	2
4399042	Hydrogen_Bond_Acceptor_Count	2
137295283	Mono_Isotopic_Weight	690.11624602
135398671	Defined_Bond_Stereo_Count	1
8388	Mono_Isotopic_Weight	263.92834
124602261	XLogP3-AA	1.5
57514051	Undefined_Atom_Stereo_Count	0
3134071	XLogP3-AA	2.4
22182	Covalent_Unit_Count	3
5216	TPSA	62.7
15185934	Isotope_Atom_Count	0
46557	Exact_Mass	364.06478
129859050	Undefined_Atom_Stereo_Count	1
69932654	Hydrogen_Bond_Acceptor_Count	3
68681268	Total_Formal_Charge	0
7343	Mono_Isotopic_Weight	114.068079557
16131097	Total_Formal_Charge	0
32091	Structure_Complexity	537
65417277	Molecular_Weight	114.11
79828	Undefined_Atom_Stereo_Count	0
14839575	Undefined_Atom_Stereo_Count	2
33463	Tautomer_Count	2
5606	Isotope_Atom_Count	0
42438	Covalent_Unit_Count	1
95890	Hydrogen_Bond_Acceptor_Count	1
81818	Tautomer_Count	1
4757	Defined_Atom_Stereo_Count	0
65985700	Undefined_Atom_Stereo_Count	1
5356	Undefined_Atom_Stereo_Count	0
23040	Total_Formal_Charge	0
83966	Molecular_Weight	331.32
51371222	Molecular_Weight	392.18
9625	Covalent_Unit_Count	1
3882	Molecular_Weight	440.7
12223113	TPSA	0
668081	Molecular_Weight	328.4
19905962	Molecular_Weight	114.14
17779323	Hydrogen_Bond_Acceptor_Count	1
25144319	Defined_Atom_Stereo_Count	0
16129682	Total_Formal_Charge	0
71449805	TPSA	58.7
6603740	Structure_Complexity	401
33722	Non-hydrogen_Atom_Count	7
9868	Non-hydrogen_Atom_Count	5
11825335	Isotope_Atom_Count	0
19360868	Molecular_Weight	120.15
131411056	Mono_Isotopic_Weight	108.068748264
44555481	Structure_Complexity	854
5713976	Defined_Bond_Stereo_Count	1
9868491	TPSA	76
157849	Covalent_Unit_Count	1
20473149	Defined_Bond_Stereo_Count	0
8855	Undefined_Bond_Stereo_Count	0
104804	Structure_Complexity	91.5
9877351	Isotope_Atom_Count	0
20139920	TPSA	32.3
651720	Defined_Atom_Stereo_Count	0
638552	Undefined_Atom_Stereo_Count	0
23675341	Molecular_Weight	477.5
1548955	Defined_Bond_Stereo_Count	1
30387	Undefined_Bond_Stereo_Count	0
688	TPSA	146
11865459	Total_Formal_Charge	1
13895197	Hydrogen_Bond_Donor_Count	5
3025961	Structure_Complexity	251
2724025	Covalent_Unit_Count	1
20684386	Covalent_Unit_Count	1
3081420	Exact_Mass	186.013186
1549062	Undefined_Atom_Stereo_Count	0
2071	Undefined_Atom_Stereo_Count	1
5353422	Covalent_Unit_Count	1
4921	Molecular_Weight	844.4
153991111	Undefined_Atom_Stereo_Count	1
89770232	Hydrogen_Bond_Acceptor_Count	11
6440459	Defined_Bond_Stereo_Count	1
4070	Structure_Complexity	66.6
189594	TPSA	23.5
254592	Total_Formal_Charge	0
9795291	Molecular_Weight	265.33
66384	Undefined_Bond_Stereo_Count	0
35784	Defined_Bond_Stereo_Count	0
26035	Mono_Isotopic_Weight	326.14528450
34767	Molecular_Weight	171.19
422478	Mono_Isotopic_Weight	119.073499291
11970126	Total_Formal_Charge	0
135618150	Tautomer_Count	9
130035834	Undefined_Bond_Stereo_Count	0
135554441	Defined_Atom_Stereo_Count	3
87356557	Undefined_Atom_Stereo_Count	1
439575	Defined_Atom_Stereo_Count	1
129785733	Molecular_Weight	98.10
25353	Defined_Bond_Stereo_Count	0
53241828	XLogP3-AA	1.7
24752	Exact_Mass	190.15689456
71451929	Covalent_Unit_Count	1
84976	TPSA	103
53507	XLogP3	3.9
6917733	Tautomer_Count	1
141869079	Undefined_Bond_Stereo_Count	0
53465918	Rotatable_Bond_Count	6
562176	Hydrogen_Bond_Donor_Count	0
49862517	Defined_Bond_Stereo_Count	0
29124	Total_Formal_Charge	0
65125	Mono_Isotopic_Weight	112.03851076
25008940	Total_Formal_Charge	0
134692791	Isotope_Atom_Count	0
13661819	Exact_Mass	98.073164938
80668	Total_Formal_Charge	0
449107	Mono_Isotopic_Weight	531.30970680
65919	Non-hydrogen_Atom_Count	23
21417010	Structure_Complexity	146
13426660	Hydrogen_Bond_Acceptor_Count	0
92968	TPSA	113
47517	Exact_Mass	267.1026065
12304539	Total_Formal_Charge	0
12622120	Mono_Isotopic_Weight	218.05790880
68979856	Defined_Bond_Stereo_Count	0
125032907	Defined_Atom_Stereo_Count	6
13286	Undefined_Atom_Stereo_Count	0
3033943	Isotope_Atom_Count	0
11587584	TPSA	71.6
71460926	Defined_Bond_Stereo_Count	0
657073	Undefined_Atom_Stereo_Count	0
55861	Covalent_Unit_Count	1
9421	Total_Formal_Charge	0
129709955	Non-hydrogen_Atom_Count	19
21306607	Total_Formal_Charge	0
90470563	Hydrogen_Bond_Donor_Count	0
14819036	Defined_Bond_Stereo_Count	0
89559	Molecular_Weight	154.21
84081255	Non-hydrogen_Atom_Count	8
135983	Covalent_Unit_Count	1
75472	Non-hydrogen_Atom_Count	12
61024	Defined_Bond_Stereo_Count	0
6960	Hydrogen_Bond_Donor_Count	0
73761	XLogP3-AA	0.7
11235728	Molecular_Weight	429.4
24257	Rotatable_Bond_Count	6
24868287	Covalent_Unit_Count	6
76658	Exact_Mass	182.05790880
164685	Isotope_Atom_Count	0
536086	Undefined_Atom_Stereo_Count	0
9549180	Covalent_Unit_Count	1
2734232	Covalent_Unit_Count	1
11743862	Mono_Isotopic_Weight	438.10832773
1059	Isotope_Atom_Count	0
1268252	Molecular_Weight	184.2
63801	Covalent_Unit_Count	2
38040	Undefined_Atom_Stereo_Count	0
65079	Non-hydrogen_Atom_Count	45
5460037	Hydrogen_Bond_Donor_Count	11
8880	Defined_Bond_Stereo_Count	0
264852	XLogP3-AA	5.4
149836	Total_Formal_Charge	0
6918286	Total_Formal_Charge	1
118701651	XLogP3-AA	3.4
12385939	Structure_Complexity	111
101731271	TPSA	3
71080	Exact_Mass	89.047678466
79196	XLogP3-AA	0
7098630	Total_Formal_Charge	0
165571	Hydrogen_Bond_Donor_Count	0
13290	Rotatable_Bond_Count	8
596	TPSA	129
6327132	Hydrogen_Bond_Donor_Count	0
68868	Covalent_Unit_Count	1
9543220	Hydrogen_Bond_Donor_Count	2
9076	TPSA	35.2
41466	Exact_Mass	130.074227566
5329105	Structure_Complexity	609
7020237	Defined_Atom_Stereo_Count	0
11062345	Non-hydrogen_Atom_Count	8
437570	Molecular_Weight	100.08
12328896	TPSA	136
135686255	Structure_Complexity	342
144513	Rotatable_Bond_Count	0
10727	TPSA	20.3
71560031	Non-hydrogen_Atom_Count	33
9571004	Total_Formal_Charge	0
11006	Non-hydrogen_Atom_Count	16
24410	Non-hydrogen_Atom_Count	5
10454	Non-hydrogen_Atom_Count	10
57519517	XLogP3-AA	1.6
67435898	Total_Formal_Charge	0
11402147	TPSA	26
26660	Molecular_Weight	177.24
3014017	TPSA	37.3
32526	Total_Formal_Charge	0
86510	Rotatable_Bond_Count	0
98442	Non-hydrogen_Atom_Count	17
136420	Mono_Isotopic_Weight	312.09977361
102518	Rotatable_Bond_Count	0
21718	Hydrogen_Bond_Acceptor_Count	8
12830793	XLogP3-AA	1.8
8490	Mono_Isotopic_Weight	222.03488193
146681255	Isotope_Atom_Count	0
25273215	Hydrogen_Bond_Acceptor_Count	4
13138141	Covalent_Unit_Count	2
56972736	Structure_Complexity	105
2299	Exact_Mass	477.17559883
135403828	Total_Formal_Charge	0
2723719	Exact_Mass	665.30474055
89724935	Structure_Complexity	122
171075	Exact_Mass	244.0767261
5002	Hydrogen_Bond_Acceptor_Count	5
3040	Molecular_Weight	469.3
73707356	Defined_Atom_Stereo_Count	0
82650926	Covalent_Unit_Count	1
10131134	Defined_Bond_Stereo_Count	0
11979535	Isotope_Atom_Count	0
34850	Undefined_Bond_Stereo_Count	0
53778	Exact_Mass	365.1636826
613589	Covalent_Unit_Count	1
65573725	Non-hydrogen_Atom_Count	7
11126191	Molecular_Weight	102.13
13707481	Molecular_Weight	114.19
66509091	Undefined_Bond_Stereo_Count	0
156617950	Undefined_Atom_Stereo_Count	0
20035	Total_Formal_Charge	0
247	Tautomer_Count	1
3158	Defined_Atom_Stereo_Count	0
80972	Hydrogen_Bond_Donor_Count	0
83975	Hydrogen_Bond_Acceptor_Count	4
52022	XLogP3-AA	5.2
14546681	Defined_Atom_Stereo_Count	0
124870718	XLogP3-AA	4.1
34885	Hydrogen_Bond_Donor_Count	0
22304	Covalent_Unit_Count	2
2328	Mono_Isotopic_Weight	240.05686342
1716	Total_Formal_Charge	0
24802075	Defined_Atom_Stereo_Count	6
18506437	Defined_Atom_Stereo_Count	0
10455	Non-hydrogen_Atom_Count	9
65844	Isotope_Atom_Count	0
16051038	Non-hydrogen_Atom_Count	26
2645	XLogP3	0.6
4644996	Mono_Isotopic_Weight	106.98029013
65789	Hydrogen_Bond_Acceptor_Count	7
557816	Undefined_Atom_Stereo_Count	1
9846078	Defined_Atom_Stereo_Count	1
12942137	Covalent_Unit_Count	1
4323	Hydrogen_Bond_Donor_Count	4
11274968	Structure_Complexity	74.2
12617365	Structure_Complexity	643
23464986	Hydrogen_Bond_Donor_Count	1
11647899	Defined_Bond_Stereo_Count	0
71430	Structure_Complexity	438
1153	Structure_Complexity	176
6603775	Total_Formal_Charge	0
123769339	Hydrogen_Bond_Acceptor_Count	2
10021783	Molecular_Weight	366.3
4630913	Defined_Atom_Stereo_Count	0
439213	TPSA	116
13187	Molecular_Weight	142.24
9912381	Molecular_Weight	466.6
3564	Molecular_Weight	214.26
4004	Defined_Atom_Stereo_Count	0
72199432	TPSA	133
23180086	Rotatable_Bond_Count	4
71430	TPSA	98.4
15907	Hydrogen_Bond_Acceptor_Count	2
12441297	Covalent_Unit_Count	1
59111489	XLogP3-AA	2.5
22954661	Hydrogen_Bond_Acceptor_Count	2
950	Mono_Isotopic_Weight	137.084063974
135444614	Mono_Isotopic_Weight	350.18550935
146171122	Rotatable_Bond_Count	4
129316724	XLogP3	2.9
1201551	Tautomer_Count	1
13597991	Hydrogen_Bond_Donor_Count	2
24946799	Undefined_Atom_Stereo_Count	1
101316975	Defined_Bond_Stereo_Count	0
69605	Defined_Atom_Stereo_Count	0
2393	Hydrogen_Bond_Donor_Count	10
2735107	Exact_Mass	232.07452447
10176082	TPSA	3
2317	Isotope_Atom_Count	0
48491	Rotatable_Bond_Count	10
2321	Structure_Complexity	805
135398515	Mono_Isotopic_Weight	317.01803556
3221	Undefined_Atom_Stereo_Count	0
4114	Rotatable_Bond_Count	1
86747	Exact_Mass	412.370516150
12319	Structure_Complexity	28.1
2762919	Covalent_Unit_Count	1
23567810	Hydrogen_Bond_Donor_Count	0
5454	Defined_Bond_Stereo_Count	0
14197	Non-hydrogen_Atom_Count	27
7838	Non-hydrogen_Atom_Count	8
25171662	Undefined_Atom_Stereo_Count	0
11084068	Tautomer_Count	1
163900	Mono_Isotopic_Weight	132.078644241
13117013	Covalent_Unit_Count	1
53249535	Exact_Mass	364.16343649
5280053	Isotope_Atom_Count	0
129859529	XLogP3-AA	0
20558	Covalent_Unit_Count	1
167232	Defined_Atom_Stereo_Count	0
8598	Hydrogen_Bond_Acceptor_Count	7
8095	Undefined_Bond_Stereo_Count	0
69913	Defined_Atom_Stereo_Count	0
28563239	Exact_Mass	99.068413911
21792546	Isotope_Atom_Count	0
132941102	Rotatable_Bond_Count	67
5748152	Structure_Complexity	457
162678	Isotope_Atom_Count	0
33341	Isotope_Atom_Count	0
2062246	Non-hydrogen_Atom_Count	21
27430	Undefined_Bond_Stereo_Count	0
3016390	Defined_Bond_Stereo_Count	0
86806	Rotatable_Bond_Count	6
79966	Non-hydrogen_Atom_Count	13
16051942	Covalent_Unit_Count	1
22421116	Hydrogen_Bond_Acceptor_Count	1
90315	Defined_Bond_Stereo_Count	0
6815	Defined_Atom_Stereo_Count	0
156255626	Defined_Atom_Stereo_Count	0
136721436	Isotope_Atom_Count	0
6190	Defined_Atom_Stereo_Count	5
94233	Tautomer_Count	41
13804427	Hydrogen_Bond_Donor_Count	1
130611	Molecular_Weight	232.19
9793696	Undefined_Bond_Stereo_Count	0
71226662	Total_Formal_Charge	0
10493	TPSA	132
6406	Covalent_Unit_Count	1
11477833	Hydrogen_Bond_Donor_Count	3
2969	Hydrogen_Bond_Donor_Count	1
1549	Exact_Mass	540.9567742
69173085	Exact_Mass	99.104799419
11983210	Undefined_Bond_Stereo_Count	0
135544142	Structure_Complexity	748
98365	Undefined_Bond_Stereo_Count	0
5388936	Defined_Bond_Stereo_Count	0
15533	Defined_Atom_Stereo_Count	0
11957756	Undefined_Bond_Stereo_Count	0
25056	Structure_Complexity	235
398593	Undefined_Atom_Stereo_Count	0
9795	Molecular_Weight	191.11
6950	Defined_Atom_Stereo_Count	0
90109	Defined_Bond_Stereo_Count	0
135659024	Total_Formal_Charge	0
44119664	Total_Formal_Charge	0
17104	Covalent_Unit_Count	1
193702	XLogP3	6.5
50258	Hydrogen_Bond_Donor_Count	3
436520	Structure_Complexity	175
123535886	Defined_Atom_Stereo_Count	0
145946920	Hydrogen_Bond_Donor_Count	8
2743	Hydrogen_Bond_Donor_Count	1
5742832	Defined_Atom_Stereo_Count	2
44454985	Non-hydrogen_Atom_Count	30
12285877	Tautomer_Count	1
145909964	Non-hydrogen_Atom_Count	7
76658	TPSA	66.8
83952	Defined_Bond_Stereo_Count	0
29025	TPSA	17.1
56851705	Hydrogen_Bond_Donor_Count	3
19878	Undefined_Atom_Stereo_Count	0
144513	Mono_Isotopic_Weight	96.093900383
69095	Hydrogen_Bond_Acceptor_Count	6
154701841	Non-hydrogen_Atom_Count	29
12202791	Isotope_Atom_Count	0
81836	Total_Formal_Charge	0
57060020	Rotatable_Bond_Count	1
6992041	TPSA	160
68547	Isotope_Atom_Count	0
119835	Undefined_Atom_Stereo_Count	5
4744	Total_Formal_Charge	0
439616	Exact_Mass	152.047344113
44310721	Hydrogen_Bond_Acceptor_Count	5
53167	Hydrogen_Bond_Donor_Count	1
20503852	Isotope_Atom_Count	0
566503	TPSA	56.7
33191	Exact_Mass	176.120115130
10630437	Defined_Atom_Stereo_Count	0
1585857	Undefined_Atom_Stereo_Count	0
123203551	Undefined_Bond_Stereo_Count	0
10528103	Undefined_Atom_Stereo_Count	1
29976	Covalent_Unit_Count	3
153274329	Hydrogen_Bond_Donor_Count	4
11993	Tautomer_Count	1
135988	Defined_Atom_Stereo_Count	0
5232618	Mono_Isotopic_Weight	295.217423870
30571	Covalent_Unit_Count	1
31266	Hydrogen_Bond_Donor_Count	0
92131209	Defined_Atom_Stereo_Count	2
134767951	Hydrogen_Bond_Donor_Count	1
131700219	Isotope_Atom_Count	10
24916897	Mono_Isotopic_Weight	508.24160744
20484	Defined_Bond_Stereo_Count	0
90777230	Molecular_Weight	114.10
2374	Structure_Complexity	208
40933	Non-hydrogen_Atom_Count	27
2130	Molecular_Weight	151.25
4595	Undefined_Bond_Stereo_Count	0
63650	Exact_Mass	603.16337
158524	Exact_Mass	280.240230259
71693	Structure_Complexity	303
317459	Mono_Isotopic_Weight	114.104465066
73761	Covalent_Unit_Count	1
27941	Undefined_Bond_Stereo_Count	0
1993	TPSA	26.3
23675320	Mono_Isotopic_Weight	457.0475138
13184286	Total_Formal_Charge	0
447626	Covalent_Unit_Count	2
86747	Non-hydrogen_Atom_Count	30
56759	Isotope_Atom_Count	0
5850	Structure_Complexity	201
35785	Hydrogen_Bond_Donor_Count	0
23730921	Mono_Isotopic_Weight	203.105862047
12962871	Undefined_Atom_Stereo_Count	1
24916760	Covalent_Unit_Count	1
44144429	Structure_Complexity	494
534258	Defined_Atom_Stereo_Count	0
3276	Hydrogen_Bond_Acceptor_Count	5
5038	Defined_Atom_Stereo_Count	0
21576	Structure_Complexity	232
10086969	Non-hydrogen_Atom_Count	6
98042	Undefined_Bond_Stereo_Count	0
139336513	Non-hydrogen_Atom_Count	8
91558	Exact_Mass	360.1604557
6917951	Hydrogen_Bond_Acceptor_Count	5
122553	XLogP3-AA	2.7
66577116	Hydrogen_Bond_Donor_Count	12
62655	Hydrogen_Bond_Acceptor_Count	8
77753	Undefined_Atom_Stereo_Count	0
2733768	Structure_Complexity	858
2733	Defined_Atom_Stereo_Count	0
14478661	Structure_Complexity	72.5
10423	Mono_Isotopic_Weight	58.041864811
45972	XLogP3-AA	4
839611	Hydrogen_Bond_Acceptor_Count	4
25246317	Undefined_Atom_Stereo_Count	4
29144	Defined_Atom_Stereo_Count	1
66117	Hydrogen_Bond_Acceptor_Count	4
141201	Isotope_Atom_Count	0
74864	Molecular_Weight	184.21
5460044	Mono_Isotopic_Weight	182.07903816
13445116	Hydrogen_Bond_Donor_Count	0
11787	Molecular_Weight	178.61
9841972	XLogP3-AA	0.9
27436	Isotope_Atom_Count	0
132285118	Molecular_Weight	866.1
78438	Undefined_Atom_Stereo_Count	0
6917880	Rotatable_Bond_Count	5
670580	Molecular_Weight	320.3
131632024	XLogP3-AA	2.3
11789162	Structure_Complexity	116
23676745	Rotatable_Bond_Count	2
2778574	TPSA	9.2
7011	Hydrogen_Bond_Donor_Count	1
55007	Hydrogen_Bond_Donor_Count	0
542317	Rotatable_Bond_Count	5
2763078	Hydrogen_Bond_Donor_Count	1
23160059	Structure_Complexity	327
337359	Exact_Mass	236.05972032
2984	Undefined_Atom_Stereo_Count	0
160430	Total_Formal_Charge	0
618848	Hydrogen_Bond_Acceptor_Count	2
12512801	Rotatable_Bond_Count	0
442070	Isotope_Atom_Count	0
10039700	XLogP3-AA	0.8
22149470	Defined_Bond_Stereo_Count	0
29971	Defined_Atom_Stereo_Count	0
24978553	Undefined_Atom_Stereo_Count	0
154417	Non-hydrogen_Atom_Count	21
29756	Hydrogen_Bond_Acceptor_Count	4
3080548	Defined_Bond_Stereo_Count	0
69861	Hydrogen_Bond_Donor_Count	1
40632	Hydrogen_Bond_Donor_Count	0
66906036	Total_Formal_Charge	0
6977134	Rotatable_Bond_Count	2
70789202	Covalent_Unit_Count	1
119090957	Undefined_Atom_Stereo_Count	0
46244259	Exact_Mass	441.18346091
121207282	Defined_Bond_Stereo_Count	0
16132429	Defined_Atom_Stereo_Count	0
68943	Molecular_Weight	291.4
67513	Tautomer_Count	1
9829419	Structure_Complexity	903
65919	Defined_Atom_Stereo_Count	0
192706	Hydrogen_Bond_Donor_Count	1
57249823	XLogP3-AA	1.1
28620	Isotope_Atom_Count	0
4046	Hydrogen_Bond_Acceptor_Count	9
11432307	Undefined_Bond_Stereo_Count	0
9568077	Exact_Mass	313.1193192
9860424	Structure_Complexity	378
53479	Undefined_Atom_Stereo_Count	0
9839243	Undefined_Atom_Stereo_Count	0
2724	Covalent_Unit_Count	1
132277694	Structure_Complexity	93.9
591313	Total_Formal_Charge	0
104428	Rotatable_Bond_Count	6
11628328	Defined_Bond_Stereo_Count	0
72938	Molecular_Weight	389.4
737769	Defined_Bond_Stereo_Count	0
9776841	Molecular_Weight	953.1
11481426	Structure_Complexity	254
4228493	XLogP3-AA	1.8
13176	Structure_Complexity	138
424353	Rotatable_Bond_Count	6
498716	Exact_Mass	40.0358543
8377	Non-hydrogen_Atom_Count	16
153939154	Rotatable_Bond_Count	0
66908038	Defined_Atom_Stereo_Count	0
90460054	Undefined_Atom_Stereo_Count	1
2733531	Structure_Complexity	681
441345	TPSA	55.8
6321412	Undefined_Bond_Stereo_Count	0
20531563	Defined_Atom_Stereo_Count	0
648601	Mono_Isotopic_Weight	257.10519334
216293	Exact_Mass	811.2013520
92974077	Hydrogen_Bond_Acceptor_Count	3
444503	Covalent_Unit_Count	1
171378	Molecular_Weight	146.18
98397	XLogP3-AA	3.5
372978	Covalent_Unit_Count	1
20431673	Undefined_Atom_Stereo_Count	1
32503	Structure_Complexity	169
44324941	Undefined_Atom_Stereo_Count	0
14535399	Exact_Mass	106.9899821
9860424	Exact_Mass	277.10759338
5361192	Rotatable_Bond_Count	9
29685	Undefined_Bond_Stereo_Count	0
41287	Undefined_Atom_Stereo_Count	0
73744469	Exact_Mass	581.1663885
164685	Hydrogen_Bond_Acceptor_Count	10
95890	TPSA	17.8
19003653	Undefined_Bond_Stereo_Count	0
122172945	Defined_Bond_Stereo_Count	1
5281167	Total_Formal_Charge	0
154911	Isotope_Atom_Count	0
7561	Rotatable_Bond_Count	3
95416	Structure_Complexity	312
206245	Exact_Mass	129.06122053
49426	Rotatable_Bond_Count	8
86653211	Exact_Mass	302.1577414
29356	Structure_Complexity	161
19708414	Total_Formal_Charge	0
36274	Defined_Atom_Stereo_Count	0
629365	Mono_Isotopic_Weight	319.9941749
66868	Defined_Atom_Stereo_Count	0
54682830	Mono_Isotopic_Weight	250.08412354
118505252	Hydrogen_Bond_Acceptor_Count	2
24586	TPSA	88.6
162955687	Defined_Atom_Stereo_Count	10
10077147	Defined_Bond_Stereo_Count	0
13350797	Exact_Mass	97.052763847
126624267	Defined_Bond_Stereo_Count	0
9865808	Undefined_Bond_Stereo_Count	0
15664	TPSA	25.8
44443939	Defined_Bond_Stereo_Count	0
13574952	Molecular_Weight	118.13
6347538	Defined_Atom_Stereo_Count	2
9075	Tautomer_Count	1
5489013	Mono_Isotopic_Weight	313.16779360
43860	Rotatable_Bond_Count	4
85446057	Non-hydrogen_Atom_Count	7
53674114	Structure_Complexity	128
15951489	Isotope_Atom_Count	0
12302675	Mono_Isotopic_Weight	342.11621151
2698	Isotope_Atom_Count	0
143291	Total_Formal_Charge	0
5489258	TPSA	0
446801	Isotope_Atom_Count	0
49796490	Defined_Bond_Stereo_Count	1
3054741	Isotope_Atom_Count	0
3658056	Isotope_Atom_Count	0
54675864	Defined_Bond_Stereo_Count	0
90488914	Undefined_Atom_Stereo_Count	2
6871	Total_Formal_Charge	0
31279	Mono_Isotopic_Weight	97.089149355
566455	Total_Formal_Charge	0
23709629	Total_Formal_Charge	0
12132	Covalent_Unit_Count	1
54234173	Undefined_Atom_Stereo_Count	0
23164725	Molecular_Weight	113.11
5080759	Structure_Complexity	164
404289	Defined_Bond_Stereo_Count	0
54421	Mono_Isotopic_Weight	366.15795719
7142	XLogP3-AA	7.5
1299	Isotope_Atom_Count	0
76356	Undefined_Atom_Stereo_Count	0
54556023	Mono_Isotopic_Weight	113.084063974
79103	TPSA	17.1
76171	Hydrogen_Bond_Donor_Count	1
162883449	Defined_Atom_Stereo_Count	16
902	Undefined_Bond_Stereo_Count	0
139179563	Covalent_Unit_Count	2
3593	Hydrogen_Bond_Donor_Count	3
66320	Isotope_Atom_Count	0
15947217	Isotope_Atom_Count	0
23668353	Covalent_Unit_Count	2
2329	Mono_Isotopic_Weight	404.13722174
66742	Hydrogen_Bond_Donor_Count	0
839562	Molecular_Weight	316.4
23349319	Non-hydrogen_Atom_Count	8
9795434	XLogP3-AA	2.2
356896	Undefined_Atom_Stereo_Count	0
54684337	Undefined_Bond_Stereo_Count	0
60627	Structure_Complexity	539
123650722	Structure_Complexity	1220
12544003	Non-hydrogen_Atom_Count	7
22108	Undefined_Atom_Stereo_Count	0
27552	Defined_Atom_Stereo_Count	0
44596665	Hydrogen_Bond_Acceptor_Count	14
5746249	Non-hydrogen_Atom_Count	33
8783	Covalent_Unit_Count	1
44402	Tautomer_Count	3
3182	Defined_Atom_Stereo_Count	0
3035894	Defined_Bond_Stereo_Count	0
314195	Exact_Mass	110.073164938
91042	Defined_Atom_Stereo_Count	0
249778	Rotatable_Bond_Count	0
156598427	Defined_Atom_Stereo_Count	0
3055957	Undefined_Bond_Stereo_Count	0
2752588	Isotope_Atom_Count	0
8718	Hydrogen_Bond_Acceptor_Count	2
11804710	Defined_Bond_Stereo_Count	0
143196	Rotatable_Bond_Count	0
6568	Hydrogen_Bond_Donor_Count	1
24550	TPSA	0
58618968	Total_Formal_Charge	0
13191	Isotope_Atom_Count	0
5281521	Hydrogen_Bond_Acceptor_Count	1
115140	Covalent_Unit_Count	2
71434160	Rotatable_Bond_Count	6
70695760	Mono_Isotopic_Weight	479.09569
117059122	Total_Formal_Charge	0
42601552	Isotope_Atom_Count	0
11017510	Mono_Isotopic_Weight	610.14628337
529315	TPSA	9.2
97747	Molecular_Weight	254.41
534753	Isotope_Atom_Count	0
58168922	Exact_Mass	101.084063974
721456	Undefined_Bond_Stereo_Count	0
4800713	Undefined_Atom_Stereo_Count	0
3505109	Hydrogen_Bond_Donor_Count	2
11538502	Hydrogen_Bond_Donor_Count	2
30140	Defined_Bond_Stereo_Count	0
45488101	XLogP3-AA	4.4
11230	Molecular_Weight	154.25
20054871	Undefined_Atom_Stereo_Count	0
135410917	Defined_Bond_Stereo_Count	0
11430	Covalent_Unit_Count	3
21873275	Isotope_Atom_Count	0
24972597	XLogP3-AA	0.2
533876	Covalent_Unit_Count	1
56679112	Molecular_Weight	341.4
11569	Undefined_Atom_Stereo_Count	0
21133161	Structure_Complexity	261
53717135	XLogP3-AA	2.1
101120059	Hydrogen_Bond_Donor_Count	0
21719780	Undefined_Bond_Stereo_Count	0
543061	Tautomer_Count	1
67247849	Molecular_Weight	372.4
11296670	Total_Formal_Charge	0
41332	TPSA	106
132939820	Hydrogen_Bond_Donor_Count	5
6479	Isotope_Atom_Count	0
13725871	Undefined_Bond_Stereo_Count	0
67180	Hydrogen_Bond_Acceptor_Count	2
77903	Molecular_Weight	276.4
1052	Rotatable_Bond_Count	2
4293071	Undefined_Bond_Stereo_Count	0
60612	TPSA	28.7
143500	Hydrogen_Bond_Acceptor_Count	1
154474487	Undefined_Bond_Stereo_Count	0
70119	Structure_Complexity	77
6912404	Undefined_Atom_Stereo_Count	0
71140	Exact_Mass	256.10341969
83883	Rotatable_Bond_Count	6
62413	Isotope_Atom_Count	0
24196	Covalent_Unit_Count	1
82755	Defined_Bond_Stereo_Count	0
1761	Undefined_Bond_Stereo_Count	0
214	Tautomer_Count	3
10664	Defined_Bond_Stereo_Count	0
5437	Covalent_Unit_Count	1
21227	Exact_Mass	114.068079557
36312	Tautomer_Count	1
60196332	Undefined_Atom_Stereo_Count	0
658645	Defined_Atom_Stereo_Count	0
65332	Rotatable_Bond_Count	6
6722	Tautomer_Count	6
9960616	Defined_Bond_Stereo_Count	0
11419335	Mono_Isotopic_Weight	441.20524173
7106	Undefined_Atom_Stereo_Count	0
71195	Total_Formal_Charge	0
69777	Molecular_Weight	284.23
76004	Total_Formal_Charge	0
57395447	Rotatable_Bond_Count	10
14117201	Hydrogen_Bond_Acceptor_Count	1
2443	Molecular_Weight	654.6
12306686	Undefined_Bond_Stereo_Count	0
135455401	Isotope_Atom_Count	0
9895035	Mono_Isotopic_Weight	604.34471258
87155	Molecular_Weight	178.18
10892838	Hydrogen_Bond_Donor_Count	1
257	Defined_Atom_Stereo_Count	0
296464	Defined_Bond_Stereo_Count	0
11761	Molecular_Weight	182.13
49865963	Isotope_Atom_Count	0
137117239	TPSA	214
57461895	Covalent_Unit_Count	1
10903	Hydrogen_Bond_Acceptor_Count	1
34757	Hydrogen_Bond_Donor_Count	1
22234	Undefined_Atom_Stereo_Count	1
2733832	Mono_Isotopic_Weight	167.11378108
164005849	Exact_Mass	111.079647300
9396	TPSA	44.8
11321894	Isotope_Atom_Count	0
129831062	TPSA	50.3
53671850	Total_Formal_Charge	0
19910150	XLogP3-AA	0.5
441979	Mono_Isotopic_Weight	348.14739250
12313	Defined_Atom_Stereo_Count	0
2921148	Isotope_Atom_Count	0
53340666	Defined_Atom_Stereo_Count	0
139062526	Non-hydrogen_Atom_Count	20
7510	Defined_Atom_Stereo_Count	0
143035	Isotope_Atom_Count	0
440210	Non-hydrogen_Atom_Count	57
5451	Non-hydrogen_Atom_Count	35
95866	Molecular_Weight	90.08
14269	Undefined_Bond_Stereo_Count	0
12110098	Rotatable_Bond_Count	2
57391320	TPSA	78.2
20093437	Total_Formal_Charge	0
83644	Undefined_Bond_Stereo_Count	0
117810308	Non-hydrogen_Atom_Count	7
69861	Mono_Isotopic_Weight	149.120449483
34481	Non-hydrogen_Atom_Count	22
80296	Hydrogen_Bond_Acceptor_Count	10
53765090	Total_Formal_Charge	0
31265	Defined_Bond_Stereo_Count	0
145984	Exact_Mass	228.07462149
11263471	Undefined_Bond_Stereo_Count	0
53940530	Hydrogen_Bond_Acceptor_Count	2
52949373	Hydrogen_Bond_Acceptor_Count	8
146159250	Covalent_Unit_Count	1
50891	Hydrogen_Bond_Acceptor_Count	0
66417	XLogP3-AA	2.9
136880	Undefined_Bond_Stereo_Count	0
53346491	Total_Formal_Charge	0
411	Defined_Atom_Stereo_Count	0
3492020	Molecular_Weight	218.32
858712	Covalent_Unit_Count	1
7342	Structure_Complexity	76.6
522354	Structure_Complexity	70.8
19606817	Molecular_Weight	96.13
19966535	Isotope_Atom_Count	0
10290728	Undefined_Bond_Stereo_Count	0
57394836	Undefined_Bond_Stereo_Count	0
4284720	Rotatable_Bond_Count	5
21932259	Undefined_Atom_Stereo_Count	0
77408	Hydrogen_Bond_Acceptor_Count	1
10848	Undefined_Bond_Stereo_Count	0
60196329	Defined_Bond_Stereo_Count	1
635186	Covalent_Unit_Count	1
10819	Rotatable_Bond_Count	2
4456	Structure_Complexity	246
4934	TPSA	35.5
3032396	Mono_Isotopic_Weight	623.21150888
12658	Undefined_Bond_Stereo_Count	2
40234	XLogP3	7.2
44298618	XLogP3-AA	6.9
12757	Hydrogen_Bond_Donor_Count	0
87527	Hydrogen_Bond_Donor_Count	1
61208	Hydrogen_Bond_Donor_Count	0
4536	XLogP3	3
72941990	Mono_Isotopic_Weight	390.0625864
146808246	Defined_Bond_Stereo_Count	0
13792437	Undefined_Atom_Stereo_Count	0
44719547	Defined_Bond_Stereo_Count	0
21325324	TPSA	23.2
135409471	Defined_Bond_Stereo_Count	0
7348	Isotope_Atom_Count	0
11114	Undefined_Bond_Stereo_Count	0
5361462	Mono_Isotopic_Weight	489.976916
548521	XLogP3-AA	0.4
139086956	Defined_Bond_Stereo_Count	0
47499	Non-hydrogen_Atom_Count	36
135565623	Structure_Complexity	3330
5329103	Covalent_Unit_Count	1
46936582	Total_Formal_Charge	0
15982533	Defined_Atom_Stereo_Count	0
11956149	Exact_Mass	185.0607417
67164	Structure_Complexity	34.5
38875	Mono_Isotopic_Weight	289.922361
4775	Defined_Bond_Stereo_Count	0
9447938	Undefined_Bond_Stereo_Count	0
12452075	Hydrogen_Bond_Donor_Count	0
548185	Mono_Isotopic_Weight	139.03031432
5213	Total_Formal_Charge	0
13756235	Exact_Mass	83.073499291
90953405	TPSA	54
19911136	Covalent_Unit_Count	1
5284656	Total_Formal_Charge	0
60967	Exact_Mass	423.59541
6604557	Defined_Bond_Stereo_Count	0
2435	Undefined_Bond_Stereo_Count	0
9548889	Defined_Bond_Stereo_Count	0
11105314	Exact_Mass	97.052763847
102362828	Non-hydrogen_Atom_Count	41
56949747	Defined_Atom_Stereo_Count	4
2723716	Defined_Bond_Stereo_Count	0
2775003	TPSA	49.3
1792	TPSA	66
50925404	Mono_Isotopic_Weight	442.08644461
5464110	Defined_Bond_Stereo_Count	0
5463081	TPSA	0
46931005	Undefined_Atom_Stereo_Count	0
25323	Tautomer_Count	19
10931394	Mono_Isotopic_Weight	112.063662883
23352	Hydrogen_Bond_Acceptor_Count	1
90019869	Isotope_Atom_Count	0
80900	Undefined_Atom_Stereo_Count	0
19935381	Defined_Bond_Stereo_Count	0
3373	Hydrogen_Bond_Acceptor_Count	5
13253	Undefined_Bond_Stereo_Count	0
9215	XLogP3	3.4
2088	Tautomer_Count	1
197740	Total_Formal_Charge	0
8217	Defined_Bond_Stereo_Count	0
5330790	Mono_Isotopic_Weight	394.06596576
5494449	Covalent_Unit_Count	1
5282494	Isotope_Atom_Count	0
163781	Rotatable_Bond_Count	39
3495982	Mono_Isotopic_Weight	250.07759887
53316386	Undefined_Bond_Stereo_Count	0
115011062	Mono_Isotopic_Weight	114.068079557
9158	Isotope_Atom_Count	0
5564	Mono_Isotopic_Weight	287.951163
74097	Total_Formal_Charge	0
69480	Rotatable_Bond_Count	4
4065	Molecular_Weight	235.32
20387237	Undefined_Bond_Stereo_Count	0
87112	Rotatable_Bond_Count	1
85844257	XLogP3-AA	1.7
83556	Molecular_Weight	364.0
53322430	Hydrogen_Bond_Acceptor_Count	6
612687	Mono_Isotopic_Weight	218.03275668
442866	Structure_Complexity	338
20274687	Rotatable_Bond_Count	0
59296010	XLogP3-AA	3.3
139591683	XLogP3-AA	7.3
89129308	Rotatable_Bond_Count	1
158553	TPSA	333
23676745	Total_Formal_Charge	0
135434844	Rotatable_Bond_Count	24
124518033	Mono_Isotopic_Weight	93.032697108
71455276	Hydrogen_Bond_Donor_Count	1
44472831	Structure_Complexity	382
751496	Exact_Mass	334.13511374
45381802	Undefined_Atom_Stereo_Count	0
13249050	Defined_Atom_Stereo_Count	0
66102	Exact_Mass	246.08920892
70403	Exact_Mass	316.0648413
76955	Molecular_Weight	149.15
13776	Covalent_Unit_Count	3
56518	Defined_Bond_Stereo_Count	0
151726	Tautomer_Count	16
4714967	XLogP3	2.8
57773	Hydrogen_Bond_Acceptor_Count	3
74809	Total_Formal_Charge	0
80906	Tautomer_Count	20
14900	Undefined_Bond_Stereo_Count	0
20055400	Defined_Bond_Stereo_Count	0
495	Covalent_Unit_Count	1
19962876	Mono_Isotopic_Weight	83.037113783
6437071	Defined_Bond_Stereo_Count	1
66776828	Undefined_Bond_Stereo_Count	0
456389	XLogP3-AA	4.1
17992	Undefined_Atom_Stereo_Count	0
447277	Undefined_Atom_Stereo_Count	0
3033679	TPSA	106
45357796	Tautomer_Count	1
11194	Mono_Isotopic_Weight	98.073164938
10199016	Hydrogen_Bond_Donor_Count	3
53968086	Defined_Atom_Stereo_Count	0
12936730	Undefined_Bond_Stereo_Count	0
10473088	Defined_Atom_Stereo_Count	3
84141	Defined_Bond_Stereo_Count	0
351795	Molecular_Weight	156.18
447518	Exact_Mass	579.21343743
16106825	Mono_Isotopic_Weight	108.057514874
4141783	Mono_Isotopic_Weight	288.175224706
57399614	TPSA	105
11567473	Structure_Complexity	806
2451	XLogP3	2.8
9931954	Rotatable_Bond_Count	3
6437357	Tautomer_Count	6
163613625	Defined_Bond_Stereo_Count	0
470375	Undefined_Bond_Stereo_Count	0
197835	Total_Formal_Charge	0
57461895	Hydrogen_Bond_Donor_Count	2
17581	Undefined_Atom_Stereo_Count	0
70991	Molecular_Weight	180.20
75066	Non-hydrogen_Atom_Count	27
33929	Covalent_Unit_Count	1
38779	Structure_Complexity	296
66587017	Total_Formal_Charge	0
5224	Defined_Bond_Stereo_Count	0
2752647	TPSA	17.1
129827453	Structure_Complexity	387
2476	Hydrogen_Bond_Acceptor_Count	5
24901143	Isotope_Atom_Count	0
5284650	Mono_Isotopic_Weight	196.088815002
62384	Molecular_Weight	116.16
20387231	Mono_Isotopic_Weight	99.104799419
156963715	Hydrogen_Bond_Donor_Count	8
92530	Undefined_Atom_Stereo_Count	2
91668186	Tautomer_Count	288
44134949	Non-hydrogen_Atom_Count	95
337121	Defined_Bond_Stereo_Count	0
17028077	Defined_Bond_Stereo_Count	0
4472	Defined_Atom_Stereo_Count	0
75341	Hydrogen_Bond_Donor_Count	1
68510675	Hydrogen_Bond_Acceptor_Count	6
69536	Molecular_Weight	395.07
70916	Hydrogen_Bond_Donor_Count	0
170501	Defined_Bond_Stereo_Count	0
700865	TPSA	72.1
155713	Total_Formal_Charge	0
13347991	Exact_Mass	108.093900383
71358240	Molecular_Weight	111.10
44427236	Molecular_Weight	388.4
3162	Exact_Mass	270.173213330
522708	Covalent_Unit_Count	1
20438510	Exact_Mass	98.084398327
19606581	Undefined_Bond_Stereo_Count	0
32142	Tautomer_Count	1
66755	Isotope_Atom_Count	0
75598	Isotope_Atom_Count	0
5460232	Hydrogen_Bond_Donor_Count	1
266742	Structure_Complexity	104
69311	Mono_Isotopic_Weight	190.15689456
192004	Covalent_Unit_Count	3
53869568	Isotope_Atom_Count	0
20849107	XLogP3	3.4
14445624	Exact_Mass	113.058911855
123314224	Isotope_Atom_Count	0
140554	Structure_Complexity	95
23327	Hydrogen_Bond_Acceptor_Count	5
12643154	Undefined_Bond_Stereo_Count	0
40605	Rotatable_Bond_Count	3
5323604	Rotatable_Bond_Count	2
52947016	Covalent_Unit_Count	1
25132952	Rotatable_Bond_Count	4
89223105	Defined_Atom_Stereo_Count	0
6400	Undefined_Atom_Stereo_Count	0
22052726	Exact_Mass	114.068079557
3599	TPSA	58.6
20134527	Exact_Mass	98.073164938
49248	Total_Formal_Charge	0
447249	Non-hydrogen_Atom_Count	21
62092	Hydrogen_Bond_Donor_Count	0
16132429	Defined_Bond_Stereo_Count	0
629	Structure_Complexity	783
17259	Exact_Mass	156.115029749
23362267	XLogP3-AA	0.3
86278404	Isotope_Atom_Count	0
439250	Exact_Mass	136.125200510
11285	Total_Formal_Charge	0
208922	Isotope_Atom_Count	0
518740	Total_Formal_Charge	0
77037484	Structure_Complexity	80.5
10599	Undefined_Atom_Stereo_Count	1
296732	Non-hydrogen_Atom_Count	17
90884886	Non-hydrogen_Atom_Count	8
5310979	Undefined_Bond_Stereo_Count	0
34481	Mono_Isotopic_Weight	292.08479225
88239551	Exact_Mass	107.037113783
36082	Hydrogen_Bond_Acceptor_Count	1
162059	Rotatable_Bond_Count	0
58137106	XLogP3-AA	1.3
9963056	Tautomer_Count	5
316542	Molecular_Weight	103.12
80428	Isotope_Atom_Count	0
69162577	Hydrogen_Bond_Acceptor_Count	3
12695798	Covalent_Unit_Count	1
60974	Undefined_Bond_Stereo_Count	1
9812772	Hydrogen_Bond_Donor_Count	2
6918296	TPSA	58.2
1244460	Covalent_Unit_Count	1
18622368	Non-hydrogen_Atom_Count	8
67578175	Structure_Complexity	782
409350	Defined_Atom_Stereo_Count	0
60165655	Structure_Complexity	308
69908	TPSA	17.1
18126	Non-hydrogen_Atom_Count	9
60196325	Rotatable_Bond_Count	4
6327846	Defined_Atom_Stereo_Count	0
28204	Non-hydrogen_Atom_Count	23
14523486	Exact_Mass	406.04159
53759539	Molecular_Weight	270.25
7019016	Undefined_Atom_Stereo_Count	0
10077129	Undefined_Bond_Stereo_Count	0
75194	Non-hydrogen_Atom_Count	30
8520	Hydrogen_Bond_Acceptor_Count	3
37499	Rotatable_Bond_Count	9
27447	Hydrogen_Bond_Donor_Count	3
143500	XLogP3-AA	0.7
14912114	Undefined_Bond_Stereo_Count	0
163518393	Molecular_Weight	115.13
97109339	TPSA	17.1
76961009	Isotope_Atom_Count	0
5187	Undefined_Atom_Stereo_Count	4
16987	Total_Formal_Charge	0
5367785	TPSA	26.3
11586735	Undefined_Bond_Stereo_Count	0
58640	Hydrogen_Bond_Acceptor_Count	5
11154544	Defined_Bond_Stereo_Count	0
9084	Molecular_Weight	102.05
2723856	Molecular_Weight	89.14
163285897	Defined_Atom_Stereo_Count	39
10336	Undefined_Bond_Stereo_Count	1
75606	Structure_Complexity	80.2
68668153	Mono_Isotopic_Weight	240.089877630
11346	Hydrogen_Bond_Acceptor_Count	3
89822	Isotope_Atom_Count	0
378348	Rotatable_Bond_Count	0
89252	Covalent_Unit_Count	1
91708	Total_Formal_Charge	0
21655019	Rotatable_Bond_Count	0
11574	Hydrogen_Bond_Acceptor_Count	0
21954272	Total_Formal_Charge	0
17424	Mono_Isotopic_Weight	276.00774492
3943	Covalent_Unit_Count	1
147983909	Hydrogen_Bond_Acceptor_Count	2
20059462	Undefined_Atom_Stereo_Count	3
71850	TPSA	0
38989055	Hydrogen_Bond_Donor_Count	0
92222	Molecular_Weight	197.19
9949821	Covalent_Unit_Count	1
56134	Molecular_Weight	170.30
12211561	Isotope_Atom_Count	0
10307849	Isotope_Atom_Count	0
26462	Defined_Bond_Stereo_Count	0
123885601	Structure_Complexity	92.6
136037280	Covalent_Unit_Count	1
85047	Tautomer_Count	1
19788587	Total_Formal_Charge	0
6337677	Exact_Mass	330.99455
13115325	Hydrogen_Bond_Acceptor_Count	0
14179013	Structure_Complexity	1120
439260	Exact_Mass	169.07389321
518516	XLogP3-AA	3.4
185498	Structure_Complexity	0
144731084	Hydrogen_Bond_Donor_Count	1
89785	Isotope_Atom_Count	0
39874	Undefined_Atom_Stereo_Count	0
73277	Exact_Mass	113.9984758
89811	Exact_Mass	107.073499291
91168430	Hydrogen_Bond_Acceptor_Count	2
17292	TPSA	75.3
6028462	Structure_Complexity	72
690730	Rotatable_Bond_Count	1
129195194	Molecular_Weight	114.15
462382	Structure_Complexity	644
71382907	Structure_Complexity	131
72200722	Undefined_Atom_Stereo_Count	0
28315	Isotope_Atom_Count	0
21226398	Non-hydrogen_Atom_Count	7
119693	Defined_Bond_Stereo_Count	0
53394037	Undefined_Bond_Stereo_Count	1
29498	Undefined_Atom_Stereo_Count	0
421	Tautomer_Count	1
10098504	Structure_Complexity	951
5289104	Non-hydrogen_Atom_Count	44
13400658	Defined_Atom_Stereo_Count	0
65057	Defined_Bond_Stereo_Count	0
9394	XLogP3-AA	5.7
9824562	Isotope_Atom_Count	0
1140	Non-hydrogen_Atom_Count	7
11407637	Hydrogen_Bond_Donor_Count	1
4357	Exact_Mass	344.03856
21439	Non-hydrogen_Atom_Count	9
10698	Covalent_Unit_Count	1
12211639	Structure_Complexity	56.7
11269297	Structure_Complexity	535
56955281	Rotatable_Bond_Count	3
68909	Hydrogen_Bond_Donor_Count	1
7864	XLogP3-AA	0.8
7568485	Total_Formal_Charge	0
96327588	Exact_Mass	527.23263824
10202381	Covalent_Unit_Count	1
4937	Exact_Mass	229.1094232
5666	Covalent_Unit_Count	1
5460887	Hydrogen_Bond_Acceptor_Count	9
4343483	TPSA	0
11525	Hydrogen_Bond_Acceptor_Count	1
7950	Hydrogen_Bond_Acceptor_Count	0
24802493	Non-hydrogen_Atom_Count	43
20087060	Molecular_Weight	115.13
9830667	Undefined_Bond_Stereo_Count	0
18541897	XLogP3-AA	0.8
118218024	Undefined_Bond_Stereo_Count	0
20165534	Rotatable_Bond_Count	0
10767	Exact_Mass	235.157228913
6708	Covalent_Unit_Count	1
66615627	Molecular_Weight	537.5
69963	Hydrogen_Bond_Acceptor_Count	1
3494	Hydrogen_Bond_Donor_Count	1
137	Hydrogen_Bond_Donor_Count	2
198015	Defined_Bond_Stereo_Count	0
62760	Total_Formal_Charge	0
49243	Structure_Complexity	338
12555	Structure_Complexity	344
70825	Molecular_Weight	206.32
26139	Structure_Complexity	239
53678373	Covalent_Unit_Count	1
16124688	Mono_Isotopic_Weight	376.10347683
73227	Hydrogen_Bond_Acceptor_Count	2
53793878	Undefined_Atom_Stereo_Count	0
92563	Defined_Bond_Stereo_Count	0
66931399	Defined_Bond_Stereo_Count	0
118654527	Total_Formal_Charge	0
72149	Mono_Isotopic_Weight	382.18925731
630348	Mono_Isotopic_Weight	330.98441
87114	TPSA	42.1
55283	Hydrogen_Bond_Acceptor_Count	9
60182	Undefined_Atom_Stereo_Count	1
23618707	Undefined_Bond_Stereo_Count	0
71511839	TPSA	618
160440	Tautomer_Count	1
63397	Undefined_Bond_Stereo_Count	0
6237	Non-hydrogen_Atom_Count	22
444104	Rotatable_Bond_Count	10
17880	Defined_Bond_Stereo_Count	0
583941	Non-hydrogen_Atom_Count	16
130324566	Defined_Bond_Stereo_Count	0
64646	Molecular_Weight	464.8
20658615	Exact_Mass	112.052429494
45934498	Structure_Complexity	508
9942657	Defined_Atom_Stereo_Count	0
5988	Isotope_Atom_Count	0
70689792	Hydrogen_Bond_Acceptor_Count	7
12480891	Structure_Complexity	91.2
46220	Structure_Complexity	152
22706689	Hydrogen_Bond_Acceptor_Count	0
98954	Mono_Isotopic_Weight	156.115029749
70403801	Molecular_Weight	228.27
54601825	Structure_Complexity	1410
24818	Structure_Complexity	37.1
7160	TPSA	35.5
143159723	XLogP3-AA	1
8579	XLogP3-AA	4.3
10909617	Molecular_Weight	134.22
14294923	Undefined_Atom_Stereo_Count	2
21973740	Undefined_Bond_Stereo_Count	0
24636	Undefined_Atom_Stereo_Count	0
24470	Isotope_Atom_Count	0
19793985	Exact_Mass	255.05315777
8051	Covalent_Unit_Count	1
87979966	Hydrogen_Bond_Acceptor_Count	3
88958947	Isotope_Atom_Count	0
66609526	Exact_Mass	110.048012819
136091	Exact_Mass	110.109550447
122522140	Non-hydrogen_Atom_Count	12
73399	Hydrogen_Bond_Acceptor_Count	6
131885396	Total_Formal_Charge	0
135013065	Defined_Atom_Stereo_Count	0
712446	Undefined_Bond_Stereo_Count	0
138113391	Structure_Complexity	1830
38359009	Defined_Atom_Stereo_Count	6
241027	Structure_Complexity	130
70945	TPSA	34.1
520217	Mono_Isotopic_Weight	299.07061935
11414	Defined_Atom_Stereo_Count	0
10895	Non-hydrogen_Atom_Count	9
67246725	Defined_Atom_Stereo_Count	0
167807	Undefined_Atom_Stereo_Count	4
62857	Molecular_Weight	345.8
174048	TPSA	93.1
16123056	TPSA	101
20197984	Mono_Isotopic_Weight	100.052429494
138593	XLogP3-AA	3
543885	Structure_Complexity	66.4
533877	Non-hydrogen_Atom_Count	7
6604893	Defined_Bond_Stereo_Count	2
46911956	Covalent_Unit_Count	1
25123	Exact_Mass	162.115698455
24461	Hydrogen_Bond_Donor_Count	0
58981134	Defined_Atom_Stereo_Count	0
82717	Non-hydrogen_Atom_Count	22
89053239	Hydrogen_Bond_Donor_Count	0
11263478	Molecular_Weight	110.15
98488	Tautomer_Count	3
22386229	Defined_Bond_Stereo_Count	0
698851	Defined_Bond_Stereo_Count	0
9571080	Defined_Bond_Stereo_Count	1
9555	Non-hydrogen_Atom_Count	31
520907	Molecular_Weight	101.19
7163	XLogP3-AA	6.8
135436520	Covalent_Unit_Count	2
2393	Molecular_Weight	1159.2
643544	Structure_Complexity	80.2
9926586	Total_Formal_Charge	0
688492	XLogP3-AA	0.5
2736145	Undefined_Bond_Stereo_Count	0
92	Undefined_Atom_Stereo_Count	4
36673	XLogP3	4.5
129533	Defined_Atom_Stereo_Count	4
305	Rotatable_Bond_Count	2
18316	Exact_Mass	254.224580195
136510	Non-hydrogen_Atom_Count	8
14275	Covalent_Unit_Count	1
72424	Rotatable_Bond_Count	20
18762609	TPSA	38.7
291703	Rotatable_Bond_Count	1
6581	Covalent_Unit_Count	1
13078198	Covalent_Unit_Count	1
15066029	TPSA	18.5
60050	Rotatable_Bond_Count	3
89559	Defined_Atom_Stereo_Count	0
86632359	Hydrogen_Bond_Donor_Count	0
25014844	Covalent_Unit_Count	1
10613	Molecular_Weight	200.11
142	Covalent_Unit_Count	1
1544	Molecular_Weight	853.6
14798	Exact_Mass	39.99250893
4676	Exact_Mass	339.12527733
44431182	Rotatable_Bond_Count	8
15178986	Molecular_Weight	109.13
4468	Covalent_Unit_Count	1
19801	Covalent_Unit_Count	1
444865	Isotope_Atom_Count	0
12018	Tautomer_Count	1
154701841	Rotatable_Bond_Count	5
69144	Hydrogen_Bond_Donor_Count	0
71448903	TPSA	389
119525	Defined_Atom_Stereo_Count	0
10964334	Defined_Atom_Stereo_Count	30
675	Molecular_Weight	146.19
65067	Hydrogen_Bond_Acceptor_Count	3
145721395	Exact_Mass	839.18163
45345	TPSA	21.7
12285856	Undefined_Atom_Stereo_Count	1
146159909	Rotatable_Bond_Count	13
77808	Defined_Bond_Stereo_Count	0
58980176	Mono_Isotopic_Weight	110.109550447
154269	Molecular_Weight	164.11
25960	Tautomer_Count	1
59310309	Covalent_Unit_Count	1
53756508	XLogP3-AA	0.1
57131009	TPSA	9.2
5281616	Isotope_Atom_Count	0
9890250	Non-hydrogen_Atom_Count	31
150723740	Isotope_Atom_Count	0
139593411	Non-hydrogen_Atom_Count	140
118104	Structure_Complexity	109
19604	Molecular_Weight	268.70
659024	Hydrogen_Bond_Donor_Count	1
6326996	Covalent_Unit_Count	1
4560	Exact_Mass	375.98604
164633	Defined_Atom_Stereo_Count	2
76661607	Defined_Bond_Stereo_Count	0
10314851	Hydrogen_Bond_Acceptor_Count	2
13530	Mono_Isotopic_Weight	159.924948
13017912	Isotope_Atom_Count	0
7118	Defined_Bond_Stereo_Count	0
30690	Total_Formal_Charge	0
10455	Defined_Atom_Stereo_Count	0
60768	TPSA	45.9
5282433	Defined_Atom_Stereo_Count	0
5017	TPSA	63.6
135950975	Covalent_Unit_Count	1
446987	Defined_Atom_Stereo_Count	2
11987858	Hydrogen_Bond_Donor_Count	0
77245	Molecular_Weight	206.28
32804	Covalent_Unit_Count	1
6957673	Molecular_Weight	404.4
135348034	Exact_Mass	111.043261792
5359853	Undefined_Bond_Stereo_Count	0
53754520	Defined_Bond_Stereo_Count	0
66775	Hydrogen_Bond_Acceptor_Count	0
852	Defined_Bond_Stereo_Count	0
9840517	Hydrogen_Bond_Donor_Count	4
513917	Molecular_Weight	256.21
21681979	Molecular_Weight	114.10
10131842	Exact_Mass	336.13615911
85500	Structure_Complexity	543
23677960	TPSA	81.6
26350	Undefined_Bond_Stereo_Count	0
20751579	Exact_Mass	472.25331412
19494	Hydrogen_Bond_Acceptor_Count	2
16694	Hydrogen_Bond_Acceptor_Count	0
12248556	Rotatable_Bond_Count	4
92943	Defined_Atom_Stereo_Count	1
526624	Exact_Mass	226.01222190
6332110	Hydrogen_Bond_Donor_Count	0
54216748	Covalent_Unit_Count	1
123899588	Non-hydrogen_Atom_Count	8
3034255	Molecular_Weight	184.18
139086112	Defined_Bond_Stereo_Count	0
1374121	Non-hydrogen_Atom_Count	33
6855	Non-hydrogen_Atom_Count	19
534439	Undefined_Bond_Stereo_Count	0
121850	Defined_Bond_Stereo_Count	0
20334570	Rotatable_Bond_Count	2
74236	Mono_Isotopic_Weight	321.20311
4032	Mono_Isotopic_Weight	167.167399674
16219856	TPSA	138
45933929	Defined_Bond_Stereo_Count	0
71719928	Defined_Atom_Stereo_Count	4
3657	Isotope_Atom_Count	0
656909	Molecular_Weight	308.44
68385	Mono_Isotopic_Weight	424.1764997
534132	Mono_Isotopic_Weight	80.062600255
668620	TPSA	66.1
26662	Defined_Bond_Stereo_Count	0
6993205	Rotatable_Bond_Count	3
37713	Rotatable_Bond_Count	0
20587	Total_Formal_Charge	0
145	Rotatable_Bond_Count	5
15778463	Covalent_Unit_Count	1
12400909	Structure_Complexity	157
53699081	Total_Formal_Charge	0
639391	Hydrogen_Bond_Acceptor_Count	3
40467	Undefined_Bond_Stereo_Count	0
10219384	Undefined_Atom_Stereo_Count	0
95483	Undefined_Atom_Stereo_Count	1
9815689	Hydrogen_Bond_Donor_Count	0
57493771	Defined_Bond_Stereo_Count	0
3016754	Undefined_Atom_Stereo_Count	0
87479093	XLogP3-AA	0.6
72870	Exact_Mass	187.9795702
171257	Undefined_Atom_Stereo_Count	0
15604015	Defined_Atom_Stereo_Count	0
8374	Total_Formal_Charge	0
85764696	Covalent_Unit_Count	1
20772203	TPSA	41.5
123751374	Undefined_Atom_Stereo_Count	1
6521	Total_Formal_Charge	0
92668	Undefined_Atom_Stereo_Count	0
92751	Structure_Complexity	490
3035187	Hydrogen_Bond_Acceptor_Count	5
7023411	Undefined_Bond_Stereo_Count	0
156614059	Structure_Complexity	112
65536	Total_Formal_Charge	0
5935	Mono_Isotopic_Weight	191.003532
54063398	Non-hydrogen_Atom_Count	7
11957587	TPSA	170
6015	Hydrogen_Bond_Donor_Count	0
10024782	Total_Formal_Charge	0
24891700	Undefined_Atom_Stereo_Count	0
71793	Defined_Atom_Stereo_Count	0
9808998	Mono_Isotopic_Weight	608.17545772
84661	Rotatable_Bond_Count	2
101743775	Hydrogen_Bond_Acceptor_Count	7
28425	Covalent_Unit_Count	1
88089033	Molecular_Weight	100.16
104799	XLogP3-AA	0.9
12406682	Defined_Bond_Stereo_Count	0
443495	Undefined_Atom_Stereo_Count	0
12385939	Non-hydrogen_Atom_Count	8
54728506	Total_Formal_Charge	0
3086157	Defined_Atom_Stereo_Count	0
699	Defined_Atom_Stereo_Count	0
62098	Molecular_Weight	192.21
938021	Defined_Atom_Stereo_Count	1
63786	Tautomer_Count	5
9794159	Defined_Bond_Stereo_Count	0
532928	XLogP3-AA	10.6
21854522	Hydrogen_Bond_Acceptor_Count	18
158729741	Mono_Isotopic_Weight	125.04523368
89738255	Molecular_Weight	103.12
73356082	Rotatable_Bond_Count	118
11954316	Defined_Atom_Stereo_Count	0
543047	Exact_Mass	114.068079557
16683028	Structure_Complexity	509
44392105	Exact_Mass	460.2281414
188802	Covalent_Unit_Count	2
45039617	Exact_Mass	709.2706908
44629591	Exact_Mass	572.31581775
137938996	Exact_Mass	114.068079557
88314154	XLogP3-AA	0.4
5473268	Total_Formal_Charge	0
57499	Isotope_Atom_Count	0
20132002	Molecular_Weight	82.10
57358782	Molecular_Weight	416.6
54106033	TPSA	26
121148	Defined_Atom_Stereo_Count	0
56658438	Hydrogen_Bond_Donor_Count	2
57372628	Rotatable_Bond_Count	6
44119603	Hydrogen_Bond_Acceptor_Count	3
5173	Exact_Mass	204.11100700
17995818	Undefined_Atom_Stereo_Count	0
8289	Rotatable_Bond_Count	6
7870	Molecular_Weight	118.17
2723785	Covalent_Unit_Count	1
5284544	Exact_Mass	515.22407968
4770	Isotope_Atom_Count	0
71066	Rotatable_Bond_Count	6
66064	Total_Formal_Charge	0
155804760	Rotatable_Bond_Count	7
53846436	Structure_Complexity	688
12768404	Defined_Bond_Stereo_Count	0
9826528	Rotatable_Bond_Count	7
123895	Defined_Atom_Stereo_Count	1
146356470	Defined_Bond_Stereo_Count	0
71072050	Isotope_Atom_Count	0
53903157	Isotope_Atom_Count	0
6602103	Total_Formal_Charge	0
198822	Exact_Mass	339.0577075
87187801	Rotatable_Bond_Count	2
995	Defined_Atom_Stereo_Count	0
13546	Defined_Bond_Stereo_Count	0
72187569	TPSA	95.5
122534114	TPSA	190
23691974	Non-hydrogen_Atom_Count	13
14647552	Exact_Mass	133.146664230
58233	Rotatable_Bond_Count	5
133612130	Hydrogen_Bond_Donor_Count	3
137699188	Rotatable_Bond_Count	13
9460	Tautomer_Count	1
21585139	Covalent_Unit_Count	2
23430	Mono_Isotopic_Weight	448.18456586
102063302	Hydrogen_Bond_Acceptor_Count	2
11525	Isotope_Atom_Count	0
25124826	Undefined_Bond_Stereo_Count	0
16324	Molecular_Weight	128.17
105054	Structure_Complexity	0
135546482	Exact_Mass	253.085126602
70269	Tautomer_Count	9
139	Isotope_Atom_Count	0
71455486	Undefined_Atom_Stereo_Count	0
132031748	Total_Formal_Charge	0
7755	XLogP3-AA	1.6
556998	Undefined_Bond_Stereo_Count	0
51894	Non-hydrogen_Atom_Count	15
69963	Isotope_Atom_Count	0
7283	XLogP3-AA	1
21075	Total_Formal_Charge	0
9886249	Total_Formal_Charge	0
54676884	Covalent_Unit_Count	1
123976	Molecular_Weight	402.7
12787246	Isotope_Atom_Count	0
6643	Exact_Mass	164.120115130
75690	Molecular_Weight	254.40
145359725	Defined_Bond_Stereo_Count	0
969516	TPSA	93.1
87868	Total_Formal_Charge	0
293676	Defined_Atom_Stereo_Count	0
2455	Total_Formal_Charge	0
16376	Hydrogen_Bond_Donor_Count	1
4829	Defined_Bond_Stereo_Count	0
3932	Hydrogen_Bond_Donor_Count	0
6921800	Defined_Atom_Stereo_Count	2
4479094	Defined_Bond_Stereo_Count	0
667476	Isotope_Atom_Count	0
4730	Isotope_Atom_Count	0
5319422	Hydrogen_Bond_Acceptor_Count	5
65546	Mono_Isotopic_Weight	151.099714038
10882	Total_Formal_Charge	0
76997	TPSA	18.5
9954083	Rotatable_Bond_Count	6
637930	Defined_Bond_Stereo_Count	1
6437356	Isotope_Atom_Count	0
5003059	Covalent_Unit_Count	1
46853654	Exact_Mass	516.19033720
2058	Non-hydrogen_Atom_Count	24
119195	Hydrogen_Bond_Donor_Count	1
24883432	Undefined_Bond_Stereo_Count	0
93923	Structure_Complexity	765
200	Tautomer_Count	5
18955656	Defined_Bond_Stereo_Count	0
4051541	Hydrogen_Bond_Donor_Count	1
30065	Mono_Isotopic_Weight	261.172878976
5975	Undefined_Bond_Stereo_Count	0
13225428	Non-hydrogen_Atom_Count	7
9955175	Hydrogen_Bond_Acceptor_Count	7
3034479	Defined_Atom_Stereo_Count	5
129703	Molecular_Weight	186.25
20221840	Defined_Bond_Stereo_Count	0
7951	Defined_Bond_Stereo_Count	0
13947131	Hydrogen_Bond_Donor_Count	2
119242	Hydrogen_Bond_Acceptor_Count	1
10678204	Non-hydrogen_Atom_Count	8
10197612	Hydrogen_Bond_Donor_Count	0
7466	Rotatable_Bond_Count	1
53954226	Rotatable_Bond_Count	0
12214113	Rotatable_Bond_Count	1
4460493	Hydrogen_Bond_Acceptor_Count	3
130956	Exact_Mass	322.01197472
13389335	Non-hydrogen_Atom_Count	16
36272	Structure_Complexity	710
847313	Mono_Isotopic_Weight	296.09431156
136863	Structure_Complexity	68
2090	Tautomer_Count	36
24848235	Hydrogen_Bond_Donor_Count	1
58373	Undefined_Bond_Stereo_Count	0
46936900	Mono_Isotopic_Weight	485.27536898
449488	Mono_Isotopic_Weight	72.068748264
162343997	Total_Formal_Charge	0
81885	Isotope_Atom_Count	0
26009888	Defined_Atom_Stereo_Count	0
164930	Hydrogen_Bond_Donor_Count	0
92915	Isotope_Atom_Count	0
24878	Hydrogen_Bond_Acceptor_Count	2
59324	Defined_Bond_Stereo_Count	0
6405	Molecular_Weight	88.15
23677979	Molecular_Weight	208.21
15461361	Covalent_Unit_Count	1
8307	Exact_Mass	201.0920418
3033538	Undefined_Bond_Stereo_Count	0
19186	Hydrogen_Bond_Donor_Count	1
52940942	TPSA	77.2
89402065	Exact_Mass	111.043261792
16768425	Hydrogen_Bond_Donor_Count	1
5311308	Molecular_Weight	301.77
56679113	Total_Formal_Charge	0
44129647	Exact_Mass	348.11035554
53626	Tautomer_Count	1
45255110	Structure_Complexity	652
403646	Non-hydrogen_Atom_Count	20
439517	TPSA	125
71434160	Structure_Complexity	688
25563891	Covalent_Unit_Count	1
3922	Structure_Complexity	591
8834	Total_Formal_Charge	0
11778544	Undefined_Atom_Stereo_Count	0
141761	Structure_Complexity	68.4
70544	Non-hydrogen_Atom_Count	14
51984	Undefined_Atom_Stereo_Count	0
124201874	TPSA	155
6159	Exact_Mass	317.21549268
136703	Covalent_Unit_Count	1
65335	Defined_Bond_Stereo_Count	0
129859783	Hydrogen_Bond_Donor_Count	1
53476	Hydrogen_Bond_Acceptor_Count	4
5311068	Exact_Mass	200.131348519
10111	Total_Formal_Charge	0
15213029	TPSA	38.6
704233	Total_Formal_Charge	0
6610318	XLogP3-AA	1.2
123166	Hydrogen_Bond_Acceptor_Count	0
67417	Undefined_Atom_Stereo_Count	0
11993	Exact_Mass	237.90463
1524	Defined_Atom_Stereo_Count	0
129851390	Isotope_Atom_Count	0
550	TPSA	129
3614551	Total_Formal_Charge	0
57247629	Isotope_Atom_Count	0
12317358	Structure_Complexity	152
5702628	TPSA	40.5
6914	Isotope_Atom_Count	0
17779928	Covalent_Unit_Count	1
706992	Isotope_Atom_Count	0
70689311	Covalent_Unit_Count	3
60196360	Defined_Bond_Stereo_Count	0
114690178	Molecular_Weight	107.11
524667	Undefined_Atom_Stereo_Count	1
17964403	Defined_Atom_Stereo_Count	0
352114	Defined_Atom_Stereo_Count	0
622688	Undefined_Bond_Stereo_Count	0
20323899	Covalent_Unit_Count	1
9547215	Exact_Mass	386.24570956
150762	Structure_Complexity	1090
74079	Mono_Isotopic_Weight	189.042593085
97815	Structure_Complexity	117
119096639	Non-hydrogen_Atom_Count	8
78484	Hydrogen_Bond_Acceptor_Count	1
6450816	Exact_Mass	612.2173192
7646	Non-hydrogen_Atom_Count	13
19082215	TPSA	128
166718	Undefined_Atom_Stereo_Count	0
12347357	TPSA	37.3
156432753	Hydrogen_Bond_Donor_Count	3
123816	Hydrogen_Bond_Acceptor_Count	11
11241863	Covalent_Unit_Count	1
588352	Non-hydrogen_Atom_Count	18
88520001	Exact_Mass	422.36670574
413540	Exact_Mass	264.162648646
70077074	Defined_Bond_Stereo_Count	0
24608	Hydrogen_Bond_Acceptor_Count	2
2762887	Isotope_Atom_Count	0
66986	Rotatable_Bond_Count	12
6545	Undefined_Bond_Stereo_Count	0
9930121	Structure_Complexity	381
973938	Defined_Bond_Stereo_Count	0
71743842	Undefined_Atom_Stereo_Count	1
14586	Rotatable_Bond_Count	0
80009	Isotope_Atom_Count	0
24529	Molecular_Weight	47.014
6252910	Total_Formal_Charge	0
22320975	Undefined_Bond_Stereo_Count	0
529341	Non-hydrogen_Atom_Count	8
60904070	Hydrogen_Bond_Donor_Count	0
5266	Isotope_Atom_Count	0
21144838	Undefined_Atom_Stereo_Count	1
8340	Exact_Mass	353.12632271
116842112	Molecular_Weight	109.17
146158693	Undefined_Atom_Stereo_Count	4
49142	Undefined_Bond_Stereo_Count	0
69401251	Total_Formal_Charge	0
31209	Rotatable_Bond_Count	6
54480591	Defined_Atom_Stereo_Count	0
73200935	Rotatable_Bond_Count	0
517859	Isotope_Atom_Count	0
803776	Isotope_Atom_Count	0
139026056	Defined_Atom_Stereo_Count	8
5165230	Hydrogen_Bond_Acceptor_Count	3
27909	Isotope_Atom_Count	0
6914	Tautomer_Count	1
61973	Undefined_Atom_Stereo_Count	1
10897645	Defined_Bond_Stereo_Count	0
521962	Exact_Mass	110.109550447
53708664	Defined_Atom_Stereo_Count	0
136183446	TPSA	149
19604	Defined_Bond_Stereo_Count	0
141225356	Covalent_Unit_Count	1
6919055	Hydrogen_Bond_Acceptor_Count	3
94043	TPSA	106
135433604	TPSA	106
12096001	Defined_Bond_Stereo_Count	2
57246909	Total_Formal_Charge	0
79323706	Hydrogen_Bond_Donor_Count	1
154103	Total_Formal_Charge	0
2724290	Hydrogen_Bond_Donor_Count	2
46783224	Undefined_Atom_Stereo_Count	4
71396956	Covalent_Unit_Count	1
14221107	Undefined_Atom_Stereo_Count	0
145627882	TPSA	21.6
812477	Hydrogen_Bond_Donor_Count	0
107950	Hydrogen_Bond_Donor_Count	0
12521030	Total_Formal_Charge	0
25209	Covalent_Unit_Count	1
12344797	Hydrogen_Bond_Acceptor_Count	2
9853053	Isotope_Atom_Count	0
79173	Mono_Isotopic_Weight	174.107606347
71583604	Total_Formal_Charge	0
4156	Mono_Isotopic_Weight	110.00376522
22271690	Isotope_Atom_Count	0
6559	Molecular_Weight	69.11
9955836	Defined_Bond_Stereo_Count	0
34933	Rotatable_Bond_Count	4
7098641	TPSA	150
535870	Undefined_Bond_Stereo_Count	0
5258	Isotope_Atom_Count	0
154171248	Rotatable_Bond_Count	2
45375808	Undefined_Bond_Stereo_Count	0
16197725	Defined_Bond_Stereo_Count	0
138975	Molecular_Weight	194.19
9911830	Undefined_Atom_Stereo_Count	0
153997402	Hydrogen_Bond_Donor_Count	1
4538	Rotatable_Bond_Count	2
69763756	Defined_Bond_Stereo_Count	0
21896651	Hydrogen_Bond_Acceptor_Count	47
71987	Isotope_Atom_Count	0
2723785	Hydrogen_Bond_Donor_Count	2
52083990	Undefined_Atom_Stereo_Count	0
22833317	Rotatable_Bond_Count	7
154518019	Non-hydrogen_Atom_Count	6
633366	Non-hydrogen_Atom_Count	20
9895193	Total_Formal_Charge	0
94412	Defined_Atom_Stereo_Count	0
158781	Total_Formal_Charge	0
10877064	Non-hydrogen_Atom_Count	8
16129759	Covalent_Unit_Count	1
135410917	Tautomer_Count	4
428338	Defined_Bond_Stereo_Count	0
615549	Defined_Atom_Stereo_Count	0
81577	TPSA	45.8
16219954	Hydrogen_Bond_Donor_Count	0
121225388	Defined_Atom_Stereo_Count	12
2384	Hydrogen_Bond_Acceptor_Count	4
17392	Defined_Bond_Stereo_Count	0
76223467	XLogP3-AA	0.2
69014	Defined_Bond_Stereo_Count	0
196396	Structure_Complexity	825
16375	Structure_Complexity	48.1
13062961	Isotope_Atom_Count	0
59809	Undefined_Atom_Stereo_Count	0
69333884	XLogP3-AA	0.4
54239709	Isotope_Atom_Count	0
637520	Defined_Bond_Stereo_Count	1
11281445	Rotatable_Bond_Count	7
75622	Undefined_Atom_Stereo_Count	0
6328250	TPSA	30.2
91666359	Total_Formal_Charge	0
1301	Undefined_Bond_Stereo_Count	0
690109	Total_Formal_Charge	0
62766	Exact_Mass	245.954854
207584	Hydrogen_Bond_Acceptor_Count	1
129148	Covalent_Unit_Count	1
16049448	TPSA	144
445713	Undefined_Bond_Stereo_Count	0
35841	Undefined_Atom_Stereo_Count	0
5280490	Non-hydrogen_Atom_Count	21
90777230	Total_Formal_Charge	0
167693	Non-hydrogen_Atom_Count	7
71348	Mono_Isotopic_Weight	1155.48815915
950	Defined_Bond_Stereo_Count	0
11966162	Hydrogen_Bond_Donor_Count	9
11007867	Rotatable_Bond_Count	0
5271566	Covalent_Unit_Count	1
699572	Exact_Mass	330.0771200
123334	Molecular_Weight	36.006
121596244	Defined_Atom_Stereo_Count	6
59743204	Mono_Isotopic_Weight	99.104799419
7801	Total_Formal_Charge	0
117326	Exact_Mass	103.099714038
853863	Defined_Atom_Stereo_Count	0
73357	Defined_Atom_Stereo_Count	10
5280633	Undefined_Bond_Stereo_Count	0
64048	Undefined_Atom_Stereo_Count	0
23521244	Structure_Complexity	78
10096946	Structure_Complexity	780
129307545	Mono_Isotopic_Weight	423.37298248
11908385	TPSA	190
440277	Defined_Bond_Stereo_Count	0
5238474	Defined_Atom_Stereo_Count	0
10962	Non-hydrogen_Atom_Count	5
5287792	Isotope_Atom_Count	0
965784	Hydrogen_Bond_Acceptor_Count	3
520148	Tautomer_Count	1
54359	Mono_Isotopic_Weight	370.204513457
438424	Structure_Complexity	571
79322731	Non-hydrogen_Atom_Count	8
6437827	Non-hydrogen_Atom_Count	24
15953353	Mono_Isotopic_Weight	446.19470727
9991	Isotope_Atom_Count	0
20334570	Total_Formal_Charge	0
163325	Non-hydrogen_Atom_Count	6
3195	Molecular_Weight	294.4
7020337	Mono_Isotopic_Weight	477.09994880
3437714	Non-hydrogen_Atom_Count	12
61574	Rotatable_Bond_Count	16
76442017	Exact_Mass	114.068079557
6917655	Tautomer_Count	1
546717	Covalent_Unit_Count	2
73343	Structure_Complexity	96.6
46780441	Hydrogen_Bond_Acceptor_Count	6
168131	Exact_Mass	251.154823615
58247682	Covalent_Unit_Count	1
91670	XLogP3	4.2
11768605	Undefined_Bond_Stereo_Count	0
493082	Hydrogen_Bond_Acceptor_Count	6
20821294	Covalent_Unit_Count	1
42610	Mono_Isotopic_Weight	347.14561886
25791439	Hydrogen_Bond_Donor_Count	5
602731	Isotope_Atom_Count	0
20469	Isotope_Atom_Count	0
24849168	Exact_Mass	316.14230712
37464	Hydrogen_Bond_Donor_Count	2
1511	Defined_Atom_Stereo_Count	0
8125	Mono_Isotopic_Weight	112.125200510
5352728	TPSA	75.9
110968	Non-hydrogen_Atom_Count	9
167693	Molecular_Weight	114.22
2811	TPSA	60.9
24977223	XLogP3-AA	0.8
14435951	TPSA	29.1
15031685	Exact_Mass	114.079312947
11672461	Structure_Complexity	1130
141329202	Defined_Bond_Stereo_Count	0
638011	Defined_Atom_Stereo_Count	0
2249	Non-hydrogen_Atom_Count	19
2807878	Isotope_Atom_Count	0
9930	Covalent_Unit_Count	2
92703	Total_Formal_Charge	0
5360237	TPSA	293
21843609	Rotatable_Bond_Count	2
20996	Exact_Mass	246.2114287
7794	Defined_Atom_Stereo_Count	0
439250	Non-hydrogen_Atom_Count	10
164075219	Exact_Mass	106.078250319
3297	Covalent_Unit_Count	1
14511497	Non-hydrogen_Atom_Count	8
54581904	TPSA	34.2
53403752	Isotope_Atom_Count	0
560878	TPSA	40.5
17963196	Exact_Mass	541.1204976
59750537	Defined_Atom_Stereo_Count	0
25195496	Total_Formal_Charge	0
24971342	Isotope_Atom_Count	0
11549937	Structure_Complexity	1750
56625	Covalent_Unit_Count	1
14969	Hydrogen_Bond_Donor_Count	19
5280608	Hydrogen_Bond_Donor_Count	2
16212960	Undefined_Bond_Stereo_Count	0
6450232	Structure_Complexity	332
71310692	TPSA	60.7
2617	Undefined_Bond_Stereo_Count	0
2073	Structure_Complexity	570
72099	Defined_Bond_Stereo_Count	0
15276695	Hydrogen_Bond_Donor_Count	0
763936	Rotatable_Bond_Count	1
11457683	Exact_Mass	116.083729621
10886	Isotope_Atom_Count	0
64200	Defined_Atom_Stereo_Count	0
154655788	Structure_Complexity	103
5556	Hydrogen_Bond_Donor_Count	0
64356	Defined_Atom_Stereo_Count	0
70688149	Covalent_Unit_Count	1
601	TPSA	92.4
12529295	Covalent_Unit_Count	1
36217	TPSA	179
84487	Rotatable_Bond_Count	12
5460029	Hydrogen_Bond_Donor_Count	4
53385491	Covalent_Unit_Count	1
12578534	TPSA	33
123217479	Molecular_Weight	92.14
546877	Molecular_Weight	103.16
6445091	Undefined_Atom_Stereo_Count	0
85573568	Undefined_Atom_Stereo_Count	0
78236	Non-hydrogen_Atom_Count	10
5282947	Molecular_Weight	296.4
4412	Hydrogen_Bond_Acceptor_Count	21
14800	Tautomer_Count	1
71443	Non-hydrogen_Atom_Count	13
242722	Hydrogen_Bond_Donor_Count	0
519466	TPSA	50.4
56846509	Non-hydrogen_Atom_Count	14
65510	Molecular_Weight	262.65
62219	Undefined_Bond_Stereo_Count	0
14221	Defined_Bond_Stereo_Count	0
87035	Hydrogen_Bond_Donor_Count	2
91021644	Hydrogen_Bond_Acceptor_Count	1
135458645	XLogP3-AA	4.7
74080	Defined_Bond_Stereo_Count	0
8495	Defined_Atom_Stereo_Count	0
70516989	Non-hydrogen_Atom_Count	7
439570	TPSA	17.1
10131842	Undefined_Atom_Stereo_Count	0
6224	TPSA	141
12088	Covalent_Unit_Count	1
3308	Defined_Bond_Stereo_Count	0
4224596	Undefined_Atom_Stereo_Count	0
449087	Rotatable_Bond_Count	4
11976122	Total_Formal_Charge	0
72886	Structure_Complexity	214
320459	TPSA	75.1
121249	Rotatable_Bond_Count	4
143494565	Exact_Mass	109.063997236
12231381	Undefined_Bond_Stereo_Count	0
13134	Total_Formal_Charge	0
53232451	Total_Formal_Charge	0
130150721	Hydrogen_Bond_Donor_Count	1
77751	XLogP3-AA	2.9
29696	Hydrogen_Bond_Acceptor_Count	3
21989159	Undefined_Atom_Stereo_Count	5
21718085	Undefined_Atom_Stereo_Count	2
12192	Hydrogen_Bond_Donor_Count	0
19078026	Undefined_Atom_Stereo_Count	2
12452686	Defined_Atom_Stereo_Count	0
18953179	Undefined_Bond_Stereo_Count	0
8527	Covalent_Unit_Count	1
12844	Undefined_Atom_Stereo_Count	1
61124202	Mono_Isotopic_Weight	113.058911855
127909	Rotatable_Bond_Count	12
54150248	TPSA	38.4
8367	Non-hydrogen_Atom_Count	14
439661	Molecular_Weight	172.23
7048538	Mono_Isotopic_Weight	299.201105100
2752638	Covalent_Unit_Count	1
32322	Tautomer_Count	4
10866300	Structure_Complexity	101
87349895	Molecular_Weight	419.7
32798	Rotatable_Bond_Count	5
656838	Defined_Atom_Stereo_Count	0
190550	TPSA	38
24750	Undefined_Atom_Stereo_Count	0
70732	Defined_Atom_Stereo_Count	0
23989	Tautomer_Count	70
130443213	Defined_Bond_Stereo_Count	0
819440	XLogP3-AA	0.6
22386	Mono_Isotopic_Weight	88.088815002
181134	Total_Formal_Charge	0
19077486	Mono_Isotopic_Weight	444.1728319
46898058	TPSA	108
67807	Defined_Bond_Stereo_Count	0
70699	Rotatable_Bond_Count	0
977	TPSA	34.1
549482	Undefined_Atom_Stereo_Count	1
160458	Undefined_Bond_Stereo_Count	0
146158506	XLogP3-AA	2.5
15148131	Covalent_Unit_Count	1
261790	Exact_Mass	867.49802062
9270	Non-hydrogen_Atom_Count	28
10075	Isotope_Atom_Count	0
62816	Mono_Isotopic_Weight	281.1982382
179337	Mono_Isotopic_Weight	475.18172958
9962644	Defined_Atom_Stereo_Count	15
24901657	TPSA	134
57721	Molecular_Weight	485.5
12872197	XLogP3-AA	0
7750121	Non-hydrogen_Atom_Count	21
213145	XLogP3-AA	0.6
54582078	Rotatable_Bond_Count	5
460621	Rotatable_Bond_Count	22
51340308	Hydrogen_Bond_Donor_Count	1
29837	Hydrogen_Bond_Acceptor_Count	2
324814	Rotatable_Bond_Count	4
117781134	Non-hydrogen_Atom_Count	14
153311	Defined_Atom_Stereo_Count	3
154091501	Defined_Bond_Stereo_Count	0
19830271	Defined_Atom_Stereo_Count	0
13373005	Tautomer_Count	1
5401	Covalent_Unit_Count	1
5504	Exact_Mass	160.100048391
6993349	Molecular_Weight	165.28
520	XLogP3-AA	2.4
853	Covalent_Unit_Count	1
25324	Hydrogen_Bond_Acceptor_Count	2
5488547	Covalent_Unit_Count	3
27566	Hydrogen_Bond_Donor_Count	0
688323	Undefined_Bond_Stereo_Count	0
129636415	Total_Formal_Charge	0
25181471	Total_Formal_Charge	0
4582877	Structure_Complexity	172
24963252	Molecular_Weight	504.23
3532561	Non-hydrogen_Atom_Count	6
68316842	Covalent_Unit_Count	1
1381	Mono_Isotopic_Weight	408.18886022
275196	XLogP3-AA	2.7
6762	Molecular_Weight	446.0
22221737	Undefined_Atom_Stereo_Count	0
1414	Mono_Isotopic_Weight	280.20384475
11405875	Defined_Atom_Stereo_Count	0
11461044	Structure_Complexity	178
8852	Covalent_Unit_Count	1
71624685	Hydrogen_Bond_Donor_Count	1
57131946	Exact_Mass	180.115029749
24901144	Structure_Complexity	644
24268	TPSA	62.9
5327006	Defined_Atom_Stereo_Count	1
57642301	Covalent_Unit_Count	1
12920383	Defined_Atom_Stereo_Count	0
542354	Exact_Mass	114.068079557
90181814	Hydrogen_Bond_Donor_Count	0
5330213	Hydrogen_Bond_Donor_Count	1
15671365	Undefined_Bond_Stereo_Count	0
4451502	Rotatable_Bond_Count	2
118371793	Mono_Isotopic_Weight	110.048012819
19425	Molecular_Weight	80.09
49865859	Defined_Bond_Stereo_Count	0
9246	Isotope_Atom_Count	0
8246	Total_Formal_Charge	0
6610296	Undefined_Bond_Stereo_Count	1
58160574	Mono_Isotopic_Weight	527.23263824
565472	Non-hydrogen_Atom_Count	11
20591	Exact_Mass	151.063328530
65422334	Isotope_Atom_Count	0
6427044	Undefined_Bond_Stereo_Count	0
23236224	TPSA	40.9
53480	Covalent_Unit_Count	1
9908684	Tautomer_Count	1
22041940	Non-hydrogen_Atom_Count	7
160078	Defined_Atom_Stereo_Count	0
9120	TPSA	0
123239	TPSA	44.4
22238581	Undefined_Bond_Stereo_Count	0
118210808	Exact_Mass	114.068079557
2973198	Hydrogen_Bond_Acceptor_Count	4
14454747	Non-hydrogen_Atom_Count	7
62582	Rotatable_Bond_Count	14
153	Hydrogen_Bond_Donor_Count	5
64655	Undefined_Bond_Stereo_Count	0
3328	Defined_Bond_Stereo_Count	0
12486	Non-hydrogen_Atom_Count	10
20588866	Undefined_Atom_Stereo_Count	0
9866186	Total_Formal_Charge	0
65622	Total_Formal_Charge	0
20289356	Hydrogen_Bond_Acceptor_Count	3
6971042	Covalent_Unit_Count	1
3878	Defined_Atom_Stereo_Count	0
10775424	Exact_Mass	222.198365449
20136721	Hydrogen_Bond_Acceptor_Count	2
41575	Hydrogen_Bond_Donor_Count	2
11758093	Defined_Bond_Stereo_Count	0
1950	Defined_Atom_Stereo_Count	0
66525	XLogP3-AA	5.9
59704100	Undefined_Atom_Stereo_Count	2
458645	Total_Formal_Charge	1
68112	Defined_Bond_Stereo_Count	0
442972	XLogP3-AA	3.5
134436906	Defined_Bond_Stereo_Count	0
17014	XLogP3-AA	3
67246787	Exact_Mass	410.0833482
19165	XLogP3	3.7
11349789	Undefined_Atom_Stereo_Count	0
16220015	Non-hydrogen_Atom_Count	26
141643	Defined_Atom_Stereo_Count	0
101643292	Exact_Mass	523.88944278
424	Covalent_Unit_Count	1
439456	Total_Formal_Charge	0
67278	Structure_Complexity	187
136120826	Defined_Bond_Stereo_Count	0
4975	XLogP3-AA	1
139077515	Hydrogen_Bond_Donor_Count	4
2161	Non-hydrogen_Atom_Count	22
116491595	Rotatable_Bond_Count	2
12938	Non-hydrogen_Atom_Count	25
14494974	Mono_Isotopic_Weight	100.052429494
75987479	Defined_Atom_Stereo_Count	0
3036640	Hydrogen_Bond_Acceptor_Count	11
148022	Structure_Complexity	119
3085106	Covalent_Unit_Count	2
13979010	Undefined_Bond_Stereo_Count	0
126575987	Defined_Bond_Stereo_Count	0
9835868	Undefined_Atom_Stereo_Count	0
28417	Covalent_Unit_Count	1
7156900	Non-hydrogen_Atom_Count	23
465069	Non-hydrogen_Atom_Count	18
477698	Defined_Atom_Stereo_Count	0
125702	Defined_Bond_Stereo_Count	0
23274077	Undefined_Bond_Stereo_Count	0
21958	Non-hydrogen_Atom_Count	7
54605501	Exact_Mass	497.21513732
5320128	Covalent_Unit_Count	1
11446375	Total_Formal_Charge	0
694117	Total_Formal_Charge	0
544596	Non-hydrogen_Atom_Count	7
86691500	Undefined_Bond_Stereo_Count	0
2646	Covalent_Unit_Count	1
21041053	Covalent_Unit_Count	1
11800	Exact_Mass	246.0003056
5311504	Undefined_Atom_Stereo_Count	0
9327	Exact_Mass	614.36207672
12082850	Defined_Bond_Stereo_Count	1
12309521	XLogP3	2.9
521355	Rotatable_Bond_Count	3
12576851	XLogP3-AA	0.4
2485	Undefined_Bond_Stereo_Count	0
15209693	Covalent_Unit_Count	1
166775	Total_Formal_Charge	0
520326	Undefined_Atom_Stereo_Count	1
15437	Mono_Isotopic_Weight	206.07251349
8639	Undefined_Atom_Stereo_Count	0
633526	Mono_Isotopic_Weight	562.35758248
75243795	XLogP3-AA	3.1
91435	Undefined_Bond_Stereo_Count	0
8381	XLogP3-AA	3.3
53741494	Undefined_Bond_Stereo_Count	0
6918639	Rotatable_Bond_Count	9
67462100	Covalent_Unit_Count	1
439299	Undefined_Bond_Stereo_Count	0
12251749	Hydrogen_Bond_Acceptor_Count	1
173799	Undefined_Bond_Stereo_Count	0
6436093	Structure_Complexity	470
62347	Mono_Isotopic_Weight	142.04907545
19782729	TPSA	43.1
130169	Tautomer_Count	1
15678	Hydrogen_Bond_Donor_Count	0
83086	Hydrogen_Bond_Acceptor_Count	2
441401	Defined_Bond_Stereo_Count	0
88318	Mono_Isotopic_Weight	87.104799419
20206342	Structure_Complexity	97.4
146110	Mono_Isotopic_Weight	442.18117893
77317	Mono_Isotopic_Weight	108.068748264
447994	Undefined_Atom_Stereo_Count	0
89077	Rotatable_Bond_Count	4
131704205	Isotope_Atom_Count	0
67233382	Hydrogen_Bond_Donor_Count	2
4101	Defined_Atom_Stereo_Count	0
4829	Mono_Isotopic_Weight	356.11946368
25104740	Defined_Bond_Stereo_Count	0
163050674	Hydrogen_Bond_Donor_Count	1
48	Covalent_Unit_Count	1
21450089	TPSA	9.2
594090	TPSA	28.7
4136	Undefined_Bond_Stereo_Count	0
3894	Hydrogen_Bond_Acceptor_Count	7
8310	Non-hydrogen_Atom_Count	20
17111	TPSA	29.5
6262	Rotatable_Bond_Count	4
156024996	Rotatable_Bond_Count	111
93279	Rotatable_Bond_Count	6
18771155	Structure_Complexity	304
17956339	Rotatable_Bond_Count	4
99828	Non-hydrogen_Atom_Count	15
22977906	Defined_Atom_Stereo_Count	0
77912	Structure_Complexity	261
60196400	Mono_Isotopic_Weight	527.24539246
5284462	TPSA	44.8
145705672	Structure_Complexity	784
42094	Undefined_Atom_Stereo_Count	1
44565776	Undefined_Bond_Stereo_Count	0
10991161	Undefined_Atom_Stereo_Count	0
4306558	Defined_Atom_Stereo_Count	0
20309174	Total_Formal_Charge	0
91754427	Covalent_Unit_Count	4
16129576	TPSA	107
7678	Defined_Atom_Stereo_Count	0
4059	Non-hydrogen_Atom_Count	13
75800	Hydrogen_Bond_Acceptor_Count	3
17310	Total_Formal_Charge	1
44786	Isotope_Atom_Count	0
413535	Covalent_Unit_Count	1
14710	Total_Formal_Charge	0
99416	Exact_Mass	265.14264148
12867435	Hydrogen_Bond_Donor_Count	0
5274428	Hydrogen_Bond_Donor_Count	2
448979	Tautomer_Count	1
4369579	Defined_Bond_Stereo_Count	0
12542141	TPSA	17.1
53702849	Structure_Complexity	87.7
156614059	Hydrogen_Bond_Acceptor_Count	5
83445	Structure_Complexity	290
9962735	Defined_Atom_Stereo_Count	0
5352846	Undefined_Atom_Stereo_Count	0
5702220	Exact_Mass	411.97395
130659	Exact_Mass	502.97075483
193214	Molecular_Weight	116.11
61534	TPSA	2
66545764	Non-hydrogen_Atom_Count	37
12394845	Defined_Bond_Stereo_Count	0
15098	Hydrogen_Bond_Acceptor_Count	0
51951	Tautomer_Count	1
51629	Isotope_Atom_Count	0
440274	Hydrogen_Bond_Acceptor_Count	4
135564655	TPSA	271
447466	Mono_Isotopic_Weight	70.041864811
11446361	Covalent_Unit_Count	1
14520	Undefined_Bond_Stereo_Count	0
53856717	Molecular_Weight	99.13
10343454	Non-hydrogen_Atom_Count	30
1385	Structure_Complexity	495
12694695	Isotope_Atom_Count	0
129634850	Non-hydrogen_Atom_Count	7
8698	Mono_Isotopic_Weight	178.099379685
19879	Defined_Atom_Stereo_Count	0
28650	Total_Formal_Charge	0
3972	Total_Formal_Charge	0
39709	Mono_Isotopic_Weight	331.12421471
88153493	Hydrogen_Bond_Donor_Count	2
14753032	Hydrogen_Bond_Acceptor_Count	6
5284614	Mono_Isotopic_Weight	311.1440774
66991	Total_Formal_Charge	0
2817	Covalent_Unit_Count	1
42611257	XLogP3-AA	5
14626842	Defined_Atom_Stereo_Count	0
148184759	XLogP3-AA	1.1
20056682	Total_Formal_Charge	0
487	Defined_Atom_Stereo_Count	0
76285	Isotope_Atom_Count	0
58093	Molecular_Weight	217.10
251513	Defined_Atom_Stereo_Count	0
11240424	Undefined_Bond_Stereo_Count	0
18714263	Isotope_Atom_Count	0
140229090	TPSA	21.6
22379	Defined_Bond_Stereo_Count	0
12488467	Undefined_Bond_Stereo_Count	0
32897	Exact_Mass	151.099714038
376	Covalent_Unit_Count	1
44348	Undefined_Atom_Stereo_Count	0
135423770	Total_Formal_Charge	0
643976	Exact_Mass	456.10461526
129628761	Rotatable_Bond_Count	4
9806489	Hydrogen_Bond_Acceptor_Count	4
5281915	Rotatable_Bond_Count	31
53856650	Hydrogen_Bond_Donor_Count	0
46228852	Total_Formal_Charge	0
133057415	Undefined_Bond_Stereo_Count	0
7778	Structure_Complexity	158
72450871	Non-hydrogen_Atom_Count	7
348554	Rotatable_Bond_Count	0
1578	Rotatable_Bond_Count	0
443943	Exact_Mass	454.1922300
753053	Defined_Bond_Stereo_Count	0
130122663	Structure_Complexity	163
71395877	TPSA	0
136649153	Non-hydrogen_Atom_Count	15
44394119	Defined_Atom_Stereo_Count	2
134694052	Hydrogen_Bond_Donor_Count	2
27822	Isotope_Atom_Count	0
9874175	Mono_Isotopic_Weight	640.36247064
124328164	Exact_Mass	530.28796829
141174518	Undefined_Bond_Stereo_Count	0
12547675	TPSA	26
91021644	Isotope_Atom_Count	0
13222108	Hydrogen_Bond_Acceptor_Count	2
137430	Defined_Bond_Stereo_Count	0
89233	Covalent_Unit_Count	1
10534631	Hydrogen_Bond_Donor_Count	1
88211	Tautomer_Count	1
42609805	Undefined_Atom_Stereo_Count	0
18759351	XLogP3-AA	0.3
15335183	Total_Formal_Charge	0
127394	Defined_Atom_Stereo_Count	0
680036	Covalent_Unit_Count	1
89150	Total_Formal_Charge	0
11948807	Undefined_Atom_Stereo_Count	0
16219464	Hydrogen_Bond_Donor_Count	11
2773621	Covalent_Unit_Count	1
13628993	Hydrogen_Bond_Acceptor_Count	2
208907	Isotope_Atom_Count	0
36811	Total_Formal_Charge	0
10350561	Covalent_Unit_Count	1
1550489	Rotatable_Bond_Count	0
7348	Defined_Atom_Stereo_Count	0
89735852	Covalent_Unit_Count	1
12394645	Hydrogen_Bond_Acceptor_Count	1
53475321	Hydrogen_Bond_Acceptor_Count	5
63390	Defined_Bond_Stereo_Count	0
137700140	Mono_Isotopic_Weight	369.0880191
1492348	TPSA	98.3
49288	Mono_Isotopic_Weight	258.10381361
46841499	TPSA	139
10993	TPSA	20.2
10986159	Hydrogen_Bond_Donor_Count	1
46204396	Defined_Bond_Stereo_Count	0
44457968	TPSA	84
5483624	Hydrogen_Bond_Acceptor_Count	2
326240	Structure_Complexity	1080
643587	Hydrogen_Bond_Acceptor_Count	0
12643154	TPSA	21.9
90906739	Covalent_Unit_Count	1
139024568	Defined_Bond_Stereo_Count	0
502272	Exact_Mass	346.14884905
448632	Hydrogen_Bond_Donor_Count	1
123923638	Exact_Mass	60.076679465
124009720	Hydrogen_Bond_Donor_Count	1
69337	Isotope_Atom_Count	0
15628	Covalent_Unit_Count	1
135463451	TPSA	153
117	Covalent_Unit_Count	1
83556	Total_Formal_Charge	0
12250	Defined_Atom_Stereo_Count	0
8249	Rotatable_Bond_Count	4
14601425	Undefined_Bond_Stereo_Count	0
82935	Structure_Complexity	2.8
6931	Defined_Bond_Stereo_Count	0
24875372	TPSA	99.8
135398597	Total_Formal_Charge	0
19077501	Mono_Isotopic_Weight	390.1258817
57186573	Molecular_Weight	98.10
72200037	Exact_Mass	473.29795982
65055	Rotatable_Bond_Count	5
3283968	Defined_Atom_Stereo_Count	0
243274	Covalent_Unit_Count	1
29494	Defined_Atom_Stereo_Count	0
53494828	Rotatable_Bond_Count	1
54739048	Rotatable_Bond_Count	3
18002315	Isotope_Atom_Count	0
841	Exact_Mass	164.06847348
594	Covalent_Unit_Count	1
260496	Undefined_Bond_Stereo_Count	0
11006945	Undefined_Bond_Stereo_Count	0
132279500	Rotatable_Bond_Count	0
54177139	Hydrogen_Bond_Acceptor_Count	2
14968895	Non-hydrogen_Atom_Count	8
5459973	Non-hydrogen_Atom_Count	11
24639	Total_Formal_Charge	0
17948845	Isotope_Atom_Count	0
461399	Hydrogen_Bond_Acceptor_Count	8
12057264	Non-hydrogen_Atom_Count	5
8360	Defined_Bond_Stereo_Count	0
117601215	Hydrogen_Bond_Acceptor_Count	4
2761399	XLogP3	0.4
4292413	Molecular_Weight	271.44
537142	Undefined_Atom_Stereo_Count	2
62165	Mono_Isotopic_Weight	324.302830514
138961	Hydrogen_Bond_Donor_Count	0
7059596	TPSA	23.5
136246379	Hydrogen_Bond_Donor_Count	3
17865372	TPSA	77.6
16219049	Structure_Complexity	869
21909502	Non-hydrogen_Atom_Count	18
139078609	TPSA	136
40637217	XLogP3-AA	3.3
47576	Total_Formal_Charge	0
24865999	Undefined_Atom_Stereo_Count	0
6525	Covalent_Unit_Count	1
10197665	Defined_Atom_Stereo_Count	0
599131	Defined_Atom_Stereo_Count	0
149236349	Undefined_Bond_Stereo_Count	0
143562	Total_Formal_Charge	0
49869040	XLogP3-AA	3.3
22339897	Exact_Mass	825.35717005
23662382	Total_Formal_Charge	0
16219	Isotope_Atom_Count	0
492901	Non-hydrogen_Atom_Count	26
135436539	Undefined_Atom_Stereo_Count	0
3033985	Total_Formal_Charge	0
91298647	Isotope_Atom_Count	0
12515628	Undefined_Bond_Stereo_Count	0
6950353	Covalent_Unit_Count	1
87402170	Covalent_Unit_Count	1
56746	Exact_Mass	391.03202
44423248	Undefined_Bond_Stereo_Count	0
11571555	Undefined_Bond_Stereo_Count	0
519514	Hydrogen_Bond_Donor_Count	1
18738120	XLogP3-AA	13.1
123209	Molecular_Weight	140.14
129317940	Defined_Atom_Stereo_Count	1
88548120	Undefined_Atom_Stereo_Count	0
527633	Isotope_Atom_Count	0
20975302	Rotatable_Bond_Count	1
6431301	Hydrogen_Bond_Acceptor_Count	2
9852519	Undefined_Bond_Stereo_Count	0
7019277	TPSA	46.5
3010347	Hydrogen_Bond_Donor_Count	1
3418	Isotope_Atom_Count	0
22174896	Hydrogen_Bond_Acceptor_Count	2
5324584	Isotope_Atom_Count	0
3086652	Undefined_Atom_Stereo_Count	0
449284	Isotope_Atom_Count	0
1553	Non-hydrogen_Atom_Count	20
135564890	Undefined_Atom_Stereo_Count	0
9578570	Rotatable_Bond_Count	8
70848	Rotatable_Bond_Count	2
46783232	Covalent_Unit_Count	2
12573	Covalent_Unit_Count	1
186	Structure_Complexity	133
19077486	Defined_Bond_Stereo_Count	0
2911	Undefined_Atom_Stereo_Count	1
22138511	Undefined_Bond_Stereo_Count	0
9887812	Total_Formal_Charge	0
121595926	XLogP3-AA	4.3
104920	Total_Formal_Charge	0
10270986	Defined_Bond_Stereo_Count	1
138757296	Exact_Mass	105.032697108
188141	Tautomer_Count	2
71733	Mono_Isotopic_Weight	261.172878976
154171248	Undefined_Atom_Stereo_Count	1
12171	Molecular_Weight	175.05
557908	XLogP3-AA	0
123751374	Molecular_Weight	1202.6
327216	Non-hydrogen_Atom_Count	7
45120354	Undefined_Atom_Stereo_Count	2
84682	Structure_Complexity	19.6
737157	Structure_Complexity	248
85943658	Total_Formal_Charge	0
136863	Non-hydrogen_Atom_Count	7
145900	XLogP3	2.2
4989215	Isotope_Atom_Count	0
129533	Rotatable_Bond_Count	3
76223	Hydrogen_Bond_Acceptor_Count	6
11967800	Defined_Atom_Stereo_Count	0
1720	Exact_Mass	212.058577502
9935073	Covalent_Unit_Count	1
45806	Structure_Complexity	259
70647795	Exact_Mass	112.088815002
141315890	TPSA	30.8
688093	Non-hydrogen_Atom_Count	13
135923569	Hydrogen_Bond_Donor_Count	2
54385745	Undefined_Atom_Stereo_Count	0
24848413	Exact_Mass	1072.15680793
447123	Mono_Isotopic_Weight	337.09437113
65389	Undefined_Atom_Stereo_Count	0
3780	Defined_Atom_Stereo_Count	0
39688	Isotope_Atom_Count	0
540	Covalent_Unit_Count	1
102444	Isotope_Atom_Count	0
399594	Rotatable_Bond_Count	1
126514322	Hydrogen_Bond_Donor_Count	1
398747	Covalent_Unit_Count	1
66755	Defined_Atom_Stereo_Count	0
82741	Mono_Isotopic_Weight	133.110278721
6918546	Defined_Atom_Stereo_Count	0
56436	Rotatable_Bond_Count	5
25058173	Isotope_Atom_Count	0
694743	Rotatable_Bond_Count	5
53708958	Exact_Mass	114.068079557
68503	Mono_Isotopic_Weight	183.98876
151014	Tautomer_Count	2
5378597	Undefined_Bond_Stereo_Count	0
14503	Structure_Complexity	165
46919879	Molecular_Weight	490.5
12529661	Undefined_Atom_Stereo_Count	0
9813985	Molecular_Weight	267.3
1214	Rotatable_Bond_Count	2
135403832	XLogP3-AA	1.9
520711	Exact_Mass	99.104799419
11023	Rotatable_Bond_Count	4
19816872	Molecular_Weight	113.11
58453	Isotope_Atom_Count	0
6328152	Hydrogen_Bond_Donor_Count	1
11146968	Molecular_Weight	719.0
443423	Exact_Mass	286.13174244
5327131	Isotope_Atom_Count	0
11545	Covalent_Unit_Count	2
9571004	Molecular_Weight	458.0
83095	Tautomer_Count	2
13748845	Mono_Isotopic_Weight	405.21403034
153687585	XLogP3-AA	2.6
70413	Defined_Bond_Stereo_Count	0
7516	Defined_Bond_Stereo_Count	0
2433	Structure_Complexity	1910
22833454	Covalent_Unit_Count	1
11241	Isotope_Atom_Count	0
156907991	Non-hydrogen_Atom_Count	91
53388942	XLogP3-AA	4.4
23335676	Tautomer_Count	3
52949466	Defined_Bond_Stereo_Count	0
135436533	TPSA	108
11377	Defined_Bond_Stereo_Count	0
43991	Undefined_Atom_Stereo_Count	0
51683	Isotope_Atom_Count	0
45934203	Molecular_Weight	281.26
15250	Covalent_Unit_Count	1
5352845	Isotope_Atom_Count	0
6445540	Isotope_Atom_Count	0
441337	Defined_Atom_Stereo_Count	0
34837	Molecular_Weight	324.4
15308711	TPSA	220
5284580	Tautomer_Count	1
60168629	Hydrogen_Bond_Donor_Count	1
14297259	Molecular_Weight	96.17
129320410	Undefined_Atom_Stereo_Count	1
923480	Non-hydrogen_Atom_Count	20
49866901	Isotope_Atom_Count	0
5257127	Structure_Complexity	37.4
3568	Tautomer_Count	383
46839993	Non-hydrogen_Atom_Count	6
67807	Undefined_Atom_Stereo_Count	0
15877745	Defined_Atom_Stereo_Count	0
29352	Covalent_Unit_Count	1
19667	Exact_Mass	256.170139325
65442	Tautomer_Count	1
23675747	Hydrogen_Bond_Acceptor_Count	4
73553786	Defined_Atom_Stereo_Count	0
9340	Undefined_Atom_Stereo_Count	1
60165517	Mono_Isotopic_Weight	314.12644076
137184495	Non-hydrogen_Atom_Count	31
21766189	Non-hydrogen_Atom_Count	8
344693	Exact_Mass	226.099379685
176170	Undefined_Atom_Stereo_Count	0
28430	Isotope_Atom_Count	0
153665501	Undefined_Atom_Stereo_Count	2
15166013	Covalent_Unit_Count	1
6473973	Isotope_Atom_Count	0
28125489	Molecular_Weight	234.31
12443800	Hydrogen_Bond_Acceptor_Count	2
10310138	Isotope_Atom_Count	0
752163	Rotatable_Bond_Count	7
79314	TPSA	60.2
25014075	Hydrogen_Bond_Acceptor_Count	1
9869218	Mono_Isotopic_Weight	467.1247985
29353	Total_Formal_Charge	0
65223	TPSA	124
78931	Total_Formal_Charge	0
11018839	Rotatable_Bond_Count	1
1252769	Undefined_Atom_Stereo_Count	0
87703	Undefined_Bond_Stereo_Count	0
398738	Defined_Atom_Stereo_Count	0
16950	Covalent_Unit_Count	1
3011527	Undefined_Atom_Stereo_Count	5
65844	Defined_Bond_Stereo_Count	0
89742272	Isotope_Atom_Count	0
92307	Covalent_Unit_Count	2
90931176	Molecular_Weight	96.17
13698	Isotope_Atom_Count	0
89822	Defined_Atom_Stereo_Count	0
618150	TPSA	26.3
46218908	Mono_Isotopic_Weight	580.28969963
69871	Isotope_Atom_Count	0
10646616	Isotope_Atom_Count	0
12594098	Undefined_Atom_Stereo_Count	3
738541	Hydrogen_Bond_Donor_Count	1
3011729	Covalent_Unit_Count	1
138037	Covalent_Unit_Count	1
69333790	Undefined_Atom_Stereo_Count	0
63833	Undefined_Bond_Stereo_Count	0
242356	Non-hydrogen_Atom_Count	21
1733	Rotatable_Bond_Count	0
6433091	Undefined_Atom_Stereo_Count	2
91460705	Exact_Mass	114.068079557
15715874	TPSA	52
21675991	Hydrogen_Bond_Donor_Count	0
10307849	Defined_Atom_Stereo_Count	0
2816568	Undefined_Bond_Stereo_Count	0
9954082	Non-hydrogen_Atom_Count	29
14113	Non-hydrogen_Atom_Count	13
65287	Structure_Complexity	215
2019	Undefined_Bond_Stereo_Count	0
15830	Hydrogen_Bond_Acceptor_Count	2
444679	Total_Formal_Charge	0
4583	Covalent_Unit_Count	1
57053600	Isotope_Atom_Count	0
81588	Rotatable_Bond_Count	2
7869	Mono_Isotopic_Weight	112.125200510
6364620	XLogP3-AA	7.1
10351092	Non-hydrogen_Atom_Count	74
6426739	Isotope_Atom_Count	0
24426	Total_Formal_Charge	0
8811	Mono_Isotopic_Weight	264.137496527
611945	Exact_Mass	230.149077236
232789	Non-hydrogen_Atom_Count	10
442113	Exact_Mass	262.13174244
808817	Undefined_Bond_Stereo_Count	0
6426685	Total_Formal_Charge	0
45479834	Total_Formal_Charge	0
78249	Structure_Complexity	186
1774	Covalent_Unit_Count	1
138041	Hydrogen_Bond_Acceptor_Count	1
4109	Covalent_Unit_Count	1
832	Covalent_Unit_Count	1
516892	Isotope_Atom_Count	0
9579050	Rotatable_Bond_Count	4
7779	Molecular_Weight	182.26
135564996	Molecular_Weight	538.6
11178958	Rotatable_Bond_Count	1
36660	Molecular_Weight	234.25
1718	Hydrogen_Bond_Acceptor_Count	4
61896	XLogP3-AA	3
22132230	Mono_Isotopic_Weight	102.079312947
458186	TPSA	57.5
45934213	Defined_Atom_Stereo_Count	8
5353830	Defined_Bond_Stereo_Count	1
81638	Mono_Isotopic_Weight	223.0036207
12136363	Molecular_Weight	115.13
21698764	XLogP3-AA	1.2
42552711	Exact_Mass	342.11621151
130993429	Covalent_Unit_Count	1
2641	Isotope_Atom_Count	0
7289	Mono_Isotopic_Weight	127.9795702
350825	Undefined_Atom_Stereo_Count	0
44576048	TPSA	174
521381	Molecular_Weight	360.4
10261065	Mono_Isotopic_Weight	110.109550447
119097490	Mono_Isotopic_Weight	114.068079557
136219154	Total_Formal_Charge	0
4678	Mono_Isotopic_Weight	205.13140809
4228493	Defined_Bond_Stereo_Count	0
9970626	Structure_Complexity	304
123899588	TPSA	0
44512434	Covalent_Unit_Count	1
66828839	XLogP3-AA	4.6
16051918	Defined_Bond_Stereo_Count	0
1176	Undefined_Bond_Stereo_Count	0
5587	Undefined_Bond_Stereo_Count	0
13961743	Defined_Bond_Stereo_Count	0
154138519	Non-hydrogen_Atom_Count	7
41599	Undefined_Atom_Stereo_Count	0
31226	Defined_Atom_Stereo_Count	0
153643637	Defined_Bond_Stereo_Count	0
136121	Defined_Bond_Stereo_Count	0
4394	XLogP3-AA	2.5
79772	Tautomer_Count	2
4848	Undefined_Atom_Stereo_Count	0
123964	Covalent_Unit_Count	1
16832	Undefined_Bond_Stereo_Count	0
5289396	Defined_Atom_Stereo_Count	16
87140770	Exact_Mass	117.042593085
16049289	Hydrogen_Bond_Acceptor_Count	7
261	TPSA	17.1
67979346	TPSA	72.9
694648	TPSA	37.3
10991489	Undefined_Bond_Stereo_Count	0
39327	Defined_Atom_Stereo_Count	0
24181476	Exact_Mass	220.89796
14741640	Undefined_Bond_Stereo_Count	0
126992483	Covalent_Unit_Count	1
22024864	Structure_Complexity	97.1
7124	Molecular_Weight	173.17
135611162	Non-hydrogen_Atom_Count	36
135398508	Tautomer_Count	9
2890	Exact_Mass	247.12084340
17933153	Rotatable_Bond_Count	4
123854	Isotope_Atom_Count	0
131954763	Hydrogen_Bond_Acceptor_Count	4
98648	Defined_Atom_Stereo_Count	0
54095609	XLogP3-AA	0.9
67546	Tautomer_Count	1
24821094	Tautomer_Count	5
3367	Undefined_Atom_Stereo_Count	4
250457	TPSA	43.4
16437056	Undefined_Bond_Stereo_Count	0
45039680	Total_Formal_Charge	0
87298	Structure_Complexity	124
21465770	Isotope_Atom_Count	0
5283321	Undefined_Bond_Stereo_Count	0
57399142	Isotope_Atom_Count	0
8154	Exact_Mass	319.3005780
342	Isotope_Atom_Count	0
40931	XLogP3-AA	6.7
69342090	Non-hydrogen_Atom_Count	8
3314	XLogP3	2
139348436	Structure_Complexity	103
51030901	Isotope_Atom_Count	0
4895	Hydrogen_Bond_Donor_Count	2
160944	Covalent_Unit_Count	2
10256440	Structure_Complexity	951
57053963	Covalent_Unit_Count	1
734215	Mono_Isotopic_Weight	321.0323340
77974	Defined_Bond_Stereo_Count	0
54160801	Hydrogen_Bond_Acceptor_Count	2
135444614	Non-hydrogen_Atom_Count	26
7475	Isotope_Atom_Count	0
176448	Mono_Isotopic_Weight	148.052429494
11158353	Non-hydrogen_Atom_Count	26
135407408	Undefined_Bond_Stereo_Count	0
363	Undefined_Bond_Stereo_Count	0
11237985	Mono_Isotopic_Weight	536.2765481
16590	Non-hydrogen_Atom_Count	8
9923162	Defined_Bond_Stereo_Count	0
19016756	Molecular_Weight	100.08
91750	Mono_Isotopic_Weight	414.09576811
3728	Isotope_Atom_Count	0
23565355	Molecular_Weight	100.16
87212	TPSA	90.6
84336	Covalent_Unit_Count	1
28145931	Exact_Mass	388.1553704
98051220	Mono_Isotopic_Weight	361.875716
13265823	Structure_Complexity	185
73755062	Undefined_Bond_Stereo_Count	0
986	Isotope_Atom_Count	0
134695314	Defined_Atom_Stereo_Count	9
6433345	Non-hydrogen_Atom_Count	58
321710	Total_Formal_Charge	0
735319	TPSA	17.3
98043898	Structure_Complexity	688
206527	Molecular_Weight	407.5
8815	Undefined_Atom_Stereo_Count	0
135445969	Isotope_Atom_Count	0
13573327	Non-hydrogen_Atom_Count	8
123260325	Hydrogen_Bond_Donor_Count	1
60196441	Undefined_Atom_Stereo_Count	0
18923110	Hydrogen_Bond_Acceptor_Count	2
171257	Hydrogen_Bond_Donor_Count	3
90335493	Rotatable_Bond_Count	0
5284595	Exact_Mass	311.15214353
10552	Undefined_Atom_Stereo_Count	0
86691500	Exact_Mass	164.076974926
694634	Mono_Isotopic_Weight	270.136827821
5748361	Molecular_Weight	366.4
137090	Defined_Bond_Stereo_Count	0
48889	Undefined_Atom_Stereo_Count	0
2766305	Defined_Bond_Stereo_Count	0
4816	Defined_Bond_Stereo_Count	0
3455	Total_Formal_Charge	0
11240433	Mono_Isotopic_Weight	96.068748264
54687420	Hydrogen_Bond_Donor_Count	1
10069991	Mono_Isotopic_Weight	407.0746777
5352133	Non-hydrogen_Atom_Count	13
11719407	Undefined_Atom_Stereo_Count	0
17163	TPSA	21.8
6419902	Covalent_Unit_Count	3
92163	Mono_Isotopic_Weight	256.1342410
5354	Non-hydrogen_Atom_Count	23
688311	Exact_Mass	243.95352
22033763	Non-hydrogen_Atom_Count	7
3084447	Undefined_Atom_Stereo_Count	0
5311047	Undefined_Atom_Stereo_Count	0
140249	Defined_Bond_Stereo_Count	0
66708	Hydrogen_Bond_Acceptor_Count	2
60195813	Structure_Complexity	434
10778228	Hydrogen_Bond_Acceptor_Count	3
172296	XLogP3-AA	4.8
3708	Exact_Mass	342.03104260
88210	Undefined_Atom_Stereo_Count	0
3038501	Mono_Isotopic_Weight	333.13247072
9740	Exact_Mass	85.016378338
43146	Total_Formal_Charge	0
12038941	TPSA	3.9
57057991	TPSA	43.4
101771	Exact_Mass	334.25079494
44320150	Defined_Atom_Stereo_Count	6
50614	Undefined_Bond_Stereo_Count	0
8030	Covalent_Unit_Count	1
51357128	Hydrogen_Bond_Acceptor_Count	7
6850729	TPSA	1
5311051	Hydrogen_Bond_Acceptor_Count	5
122679474	Defined_Bond_Stereo_Count	0
10465	Exact_Mass	270.255880323
557816	Non-hydrogen_Atom_Count	8
5360807	Undefined_Atom_Stereo_Count	0
4015	Molecular_Weight	299.32
7937	Rotatable_Bond_Count	0
184644	Exact_Mass	856.39266112
60613	Hydrogen_Bond_Donor_Count	4
94233	Defined_Atom_Stereo_Count	0
11180	Hydrogen_Bond_Donor_Count	0
25019940	Covalent_Unit_Count	1
11251988	Exact_Mass	115.063328530
21330	Mono_Isotopic_Weight	267.05652907
140083	Undefined_Bond_Stereo_Count	0
33478	Mono_Isotopic_Weight	463.17770683
154353878	Undefined_Atom_Stereo_Count	0
998021	Undefined_Bond_Stereo_Count	0
18736304	Defined_Atom_Stereo_Count	0
6613	Rotatable_Bond_Count	6
4842	TPSA	40.6
101176453	Total_Formal_Charge	0
14078847	Undefined_Bond_Stereo_Count	0
317061	Covalent_Unit_Count	1
76971015	Non-hydrogen_Atom_Count	36
27375	XLogP3	2.4
60198	XLogP3-AA	3.1
3080714	Tautomer_Count	53
6437352	Hydrogen_Bond_Acceptor_Count	5
130124973	Rotatable_Bond_Count	3
3336	Exact_Mass	315.198699802
123964	Tautomer_Count	32
123135747	Defined_Atom_Stereo_Count	2
24905142	Tautomer_Count	24
5351197	TPSA	3.2
66270	Covalent_Unit_Count	1
46225600	Hydrogen_Bond_Donor_Count	17
23652660	Rotatable_Bond_Count	5
130026523	Molecular_Weight	110.15
72392	Hydrogen_Bond_Donor_Count	8
753053	Undefined_Atom_Stereo_Count	0
52918382	TPSA	94.5
141363	Undefined_Atom_Stereo_Count	0
44195571	Hydrogen_Bond_Acceptor_Count	10
72207351	Non-hydrogen_Atom_Count	7
71206	Non-hydrogen_Atom_Count	49
2520	Rotatable_Bond_Count	13
102089288	Total_Formal_Charge	0
151092	Rotatable_Bond_Count	9
69503325	Exact_Mass	534.25185757
12242802	Hydrogen_Bond_Donor_Count	1
14061673	Isotope_Atom_Count	0
38982	Tautomer_Count	1
6914	Non-hydrogen_Atom_Count	10
5402	Defined_Atom_Stereo_Count	0
662960	Total_Formal_Charge	0
129887798	TPSA	32.3
45749	Exact_Mass	1333.67002241
96776	Mono_Isotopic_Weight	232.157563266
4597	Undefined_Bond_Stereo_Count	0
11789342	Isotope_Atom_Count	0
95010	Tautomer_Count	1
14897389	Undefined_Bond_Stereo_Count	0
71624688	Total_Formal_Charge	0
71302984	Isotope_Atom_Count	0
18539784	Defined_Bond_Stereo_Count	0
118014938	Undefined_Bond_Stereo_Count	0
62512	TPSA	40.5
59774	Hydrogen_Bond_Acceptor_Count	4
85743571	Structure_Complexity	101
122121	Undefined_Bond_Stereo_Count	0
89904392	Total_Formal_Charge	0
91031492	TPSA	59.3
83803459	Hydrogen_Bond_Donor_Count	1
14671559	Non-hydrogen_Atom_Count	8
11029762	Exact_Mass	88.052429494
71377	Isotope_Atom_Count	0
5078908	Defined_Atom_Stereo_Count	0
6440554	Structure_Complexity	736
70916	Defined_Atom_Stereo_Count	0
133667882	Undefined_Bond_Stereo_Count	0
7756	Molecular_Weight	115.17
1164	Mono_Isotopic_Weight	566.05502130
57397898	Non-hydrogen_Atom_Count	30
71306834	Mono_Isotopic_Weight	744.79416
12830793	Undefined_Atom_Stereo_Count	0
136253316	TPSA	190
48883	Mono_Isotopic_Weight	356.1283001
80399	Mono_Isotopic_Weight	714.15396894
17355	Total_Formal_Charge	0
528143	Undefined_Atom_Stereo_Count	0
13699300	TPSA	35.5
339	Defined_Bond_Stereo_Count	0
12309520	Non-hydrogen_Atom_Count	24
15700781	Isotope_Atom_Count	0
31426	Exact_Mass	267.05315777
36082	Defined_Atom_Stereo_Count	0
22843	Covalent_Unit_Count	1
9574768	XLogP3-AA	1.9
102428	Hydrogen_Bond_Acceptor_Count	4
20769	Structure_Complexity	125
7773	Hydrogen_Bond_Donor_Count	0
20387194	Hydrogen_Bond_Acceptor_Count	1
43029	Rotatable_Bond_Count	6
7054	Hydrogen_Bond_Acceptor_Count	2
21253562	Hydrogen_Bond_Donor_Count	1
14640738	Rotatable_Bond_Count	0
41506	Exact_Mass	346.13805082
13217907	Molecular_Weight	111.14
5353830	Total_Formal_Charge	0
14187216	TPSA	83.6
54690315	Hydrogen_Bond_Acceptor_Count	4
11846570	Undefined_Bond_Stereo_Count	0
5741	TPSA	38.8
18055	Structure_Complexity	102
98651	Undefined_Atom_Stereo_Count	0
138404353	Structure_Complexity	1700
141487201	Structure_Complexity	382
6436043	Rotatable_Bond_Count	5
30844	Total_Formal_Charge	0
21809017	Hydrogen_Bond_Donor_Count	0
12094059	Covalent_Unit_Count	1
57267838	Hydrogen_Bond_Acceptor_Count	2
6372	XLogP3-AA	1.8
6436541	Hydrogen_Bond_Acceptor_Count	4
67462100	Structure_Complexity	592
71541189	Undefined_Bond_Stereo_Count	0
95162563	Non-hydrogen_Atom_Count	23
59973	Undefined_Bond_Stereo_Count	0
4560140	Defined_Atom_Stereo_Count	0
139449	Hydrogen_Bond_Donor_Count	0
65937	Tautomer_Count	2
3146689	Defined_Bond_Stereo_Count	0
1489495	Defined_Bond_Stereo_Count	0
441203	Undefined_Atom_Stereo_Count	0
77946	Structure_Complexity	25.1
12216463	Defined_Atom_Stereo_Count	0
52944532	Undefined_Bond_Stereo_Count	0
7494	Exact_Mass	167.058243149
486	Mono_Isotopic_Weight	184.06435410
123178849	Hydrogen_Bond_Donor_Count	0
154214	Rotatable_Bond_Count	4
126083	Mono_Isotopic_Weight	314.16641387
23665730	Defined_Bond_Stereo_Count	1
34632	Undefined_Atom_Stereo_Count	0
91763	Isotope_Atom_Count	0
89811	Covalent_Unit_Count	1
101661938	Isotope_Atom_Count	0
46407	Undefined_Bond_Stereo_Count	0
22224160	Structure_Complexity	151
105426925	TPSA	23.8
12476101	XLogP3-AA	2.7
54584292	Total_Formal_Charge	0
6436158	Undefined_Bond_Stereo_Count	0
12040512	TPSA	115
520527	Total_Formal_Charge	0
4748	XLogP3	4.2
12471321	Defined_Bond_Stereo_Count	0
54130	Molecular_Weight	260.33
11789135	Defined_Bond_Stereo_Count	0
10476254	TPSA	137
216324	Tautomer_Count	1
54575456	Hydrogen_Bond_Donor_Count	2
25159190	Undefined_Atom_Stereo_Count	0
23657865	Hydrogen_Bond_Donor_Count	3
69341269	Total_Formal_Charge	0
65546	XLogP3	1.6
1498	Molecular_Weight	327.4
131801109	Exact_Mass	802.26322735
54419	Covalent_Unit_Count	1
11383075	Hydrogen_Bond_Acceptor_Count	6
10964417	Mono_Isotopic_Weight	95.073499291
657202	TPSA	26.3
8427	Non-hydrogen_Atom_Count	14
40469421	Hydrogen_Bond_Donor_Count	2
74067	Rotatable_Bond_Count	1
2752588	Defined_Bond_Stereo_Count	0
442482	Rotatable_Bond_Count	1
15910	Hydrogen_Bond_Acceptor_Count	2
133687818	Isotope_Atom_Count	0
11672659	Defined_Atom_Stereo_Count	0
215932	Hydrogen_Bond_Acceptor_Count	4
18477728	Undefined_Bond_Stereo_Count	0
106701	TPSA	26.3
3068367	Hydrogen_Bond_Acceptor_Count	16
18506421	Molecular_Weight	116.11
56623	Exact_Mass	309.03541696
56649463	Isotope_Atom_Count	0
73353803	Defined_Atom_Stereo_Count	1
23368	Total_Formal_Charge	0
15576830	Mono_Isotopic_Weight	98.084398327
18736159	Structure_Complexity	98.6
9841863	XLogP3-AA	4.6
9812772	Non-hydrogen_Atom_Count	8
22137869	Covalent_Unit_Count	1
99014	Defined_Atom_Stereo_Count	0
642785	Exact_Mass	110.036779430
135612794	Defined_Atom_Stereo_Count	0
14417	Non-hydrogen_Atom_Count	26
141772581	Hydrogen_Bond_Acceptor_Count	1
89356917	Defined_Bond_Stereo_Count	5
33845	Defined_Bond_Stereo_Count	0
11355437	Exact_Mass	78.042927438
26715	Hydrogen_Bond_Acceptor_Count	3
105426935	Non-hydrogen_Atom_Count	7
72551585	Undefined_Bond_Stereo_Count	0
57000164	Defined_Bond_Stereo_Count	0
129694466	Undefined_Bond_Stereo_Count	0
135403630	Total_Formal_Charge	0
6735	Exact_Mass	132.057514874
12711588	Undefined_Bond_Stereo_Count	0
83170	Undefined_Atom_Stereo_Count	0
3758	Covalent_Unit_Count	1
11600642	Rotatable_Bond_Count	3
46195832	Exact_Mass	752.1575354
83814961	Non-hydrogen_Atom_Count	8
7213685	Defined_Bond_Stereo_Count	0
11001426	Structure_Complexity	320
42602097	Undefined_Atom_Stereo_Count	1
5481119	Hydrogen_Bond_Acceptor_Count	6
139073990	Total_Formal_Charge	0
129486	Structure_Complexity	474
59277772	Defined_Atom_Stereo_Count	0
54518010	Isotope_Atom_Count	0
2909	Total_Formal_Charge	0
6674	XLogP3-AA	2.6
6917728	Hydrogen_Bond_Acceptor_Count	4
10736576	Isotope_Atom_Count	0
61444	Covalent_Unit_Count	9
58084	Undefined_Bond_Stereo_Count	0
10102486	Molecular_Weight	993.6
351795	Defined_Bond_Stereo_Count	0
2723733	Hydrogen_Bond_Acceptor_Count	11
7191	Defined_Atom_Stereo_Count	0
4690818	Structure_Complexity	260
227541	Tautomer_Count	1
115107	TPSA	41.9
65499	Tautomer_Count	1
12084878	Hydrogen_Bond_Donor_Count	0
69341027	Hydrogen_Bond_Acceptor_Count	2
6437356	Defined_Atom_Stereo_Count	0
57280823	Non-hydrogen_Atom_Count	7
19606817	Defined_Bond_Stereo_Count	0
11908386	Defined_Atom_Stereo_Count	10
8674	Structure_Complexity	527
3116	Undefined_Atom_Stereo_Count	0
91236903	Mono_Isotopic_Weight	110.109550447
8241	TPSA	62.3
13017	Non-hydrogen_Atom_Count	9
31355	Structure_Complexity	201
156071492	Structure_Complexity	131
79946	Isotope_Atom_Count	0
12309464	Hydrogen_Bond_Donor_Count	0
22594387	Mono_Isotopic_Weight	96.057514874
68702	Hydrogen_Bond_Donor_Count	1
687034	XLogP3-AA	3.7
83823	Mono_Isotopic_Weight	461.20496695
13618050	Covalent_Unit_Count	1
125651	Mono_Isotopic_Weight	235.132076794
58801077	Undefined_Bond_Stereo_Count	0
114739	Total_Formal_Charge	0
11020241	Defined_Atom_Stereo_Count	2
85774373	Exact_Mass	112.088815002
85104	TPSA	34.1
133124921	Exact_Mass	925.50349992
40467085	Non-hydrogen_Atom_Count	33
95361	TPSA	55.8
68321900	Covalent_Unit_Count	1
101650201	Exact_Mass	364.09200289
328257	Rotatable_Bond_Count	0
12441597	Exact_Mass	116.083729621
21619272	Defined_Atom_Stereo_Count	0
68624	Defined_Bond_Stereo_Count	0
512984	Defined_Atom_Stereo_Count	0
951315	Defined_Bond_Stereo_Count	0
12453026	Isotope_Atom_Count	0
14809442	Structure_Complexity	102
1899	Structure_Complexity	396
87985965	Defined_Atom_Stereo_Count	0
10021783	Defined_Bond_Stereo_Count	0
40146	Molecular_Weight	240.30
403832	XLogP3-AA	7
5746249	Defined_Bond_Stereo_Count	1
911106	TPSA	32.7
166931	Covalent_Unit_Count	1
22817455	Undefined_Bond_Stereo_Count	0
53394791	Rotatable_Bond_Count	14
55067	Isotope_Atom_Count	0
10486809	Total_Formal_Charge	0
31803	Mono_Isotopic_Weight	341.16270821
16767378	Molecular_Weight	182.19
9690	Isotope_Atom_Count	0
47462	Mono_Isotopic_Weight	334.9937240
3704	Isotope_Atom_Count	0
6918314	XLogP3-AA	4
12338288	Hydrogen_Bond_Acceptor_Count	1
6869	Molecular_Weight	350.4
40818	Molecular_Weight	152.06
6604724	Defined_Bond_Stereo_Count	0
20666911	Defined_Atom_Stereo_Count	0
66425	Undefined_Atom_Stereo_Count	0
5289295	Tautomer_Count	1
85999939	Undefined_Bond_Stereo_Count	0
82717	TPSA	115
68321915	Non-hydrogen_Atom_Count	25
4858	Non-hydrogen_Atom_Count	22
17425	TPSA	118
114750	Defined_Atom_Stereo_Count	3
1318	Defined_Bond_Stereo_Count	0
39546	Structure_Complexity	464
33755	Defined_Bond_Stereo_Count	0
10367	Defined_Atom_Stereo_Count	0
3731	Isotope_Atom_Count	0
64782	XLogP3	1.7
92258	Isotope_Atom_Count	0
5329106	Molecular_Weight	396.5
5484438	Tautomer_Count	3
14481877	Defined_Bond_Stereo_Count	0
134688015	Defined_Atom_Stereo_Count	0
8570	Defined_Bond_Stereo_Count	0
472181	Undefined_Atom_Stereo_Count	0
135456058	Undefined_Bond_Stereo_Count	0
18369938	Hydrogen_Bond_Acceptor_Count	3
66624088	TPSA	54.7
11069	Exact_Mass	422.15115773
9588170	Defined_Atom_Stereo_Count	0
8443	Non-hydrogen_Atom_Count	11
11233	Rotatable_Bond_Count	3
7269	Structure_Complexity	80.6
47909	Defined_Atom_Stereo_Count	0
29339	Isotope_Atom_Count	0
444006	Isotope_Atom_Count	0
138115739	Covalent_Unit_Count	4
53364498	Undefined_Bond_Stereo_Count	0
75634	Isotope_Atom_Count	0
124744579	Defined_Atom_Stereo_Count	19
8480	Mono_Isotopic_Weight	259.977826
175533	Total_Formal_Charge	0
11427975	Covalent_Unit_Count	1
67465	TPSA	28.7
135565843	Exact_Mass	315.0556736
69332494	Isotope_Atom_Count	0
82418980	Molecular_Weight	112.09
10378	Undefined_Atom_Stereo_Count	0
60976	Defined_Atom_Stereo_Count	0
47519	Molecular_Weight	102.13
151085	Molecular_Weight	104.15
80009	Defined_Atom_Stereo_Count	0
31280	Rotatable_Bond_Count	16
131451246	Non-hydrogen_Atom_Count	7
20624744	Non-hydrogen_Atom_Count	7
139062527	Structure_Complexity	368
26091	Hydrogen_Bond_Acceptor_Count	3
10148993	Undefined_Bond_Stereo_Count	0
873	TPSA	57.5
21618	Molecular_Weight	104.10
10096344	Isotope_Atom_Count	0
80822	Mono_Isotopic_Weight	695.08851438
85776583	Mono_Isotopic_Weight	116.047344113
19092	Defined_Bond_Stereo_Count	0
44144829	Undefined_Bond_Stereo_Count	0
21635253	Isotope_Atom_Count	0
14325613	Defined_Bond_Stereo_Count	0
5363229	Tautomer_Count	5
71008	XLogP3-AA	3
135400456	Defined_Bond_Stereo_Count	0
3776755	Isotope_Atom_Count	0
6595	Tautomer_Count	2
91419129	Covalent_Unit_Count	1
50896	Defined_Bond_Stereo_Count	0
162839	Non-hydrogen_Atom_Count	15
71459166	Undefined_Bond_Stereo_Count	0
132278564	Mono_Isotopic_Weight	276.03336507
230373	Isotope_Atom_Count	0
6438560	Defined_Atom_Stereo_Count	0
22718889	Isotope_Atom_Count	0
16050553	Non-hydrogen_Atom_Count	28
15221251	Hydrogen_Bond_Acceptor_Count	7
96670	TPSA	50.4
74229	Molecular_Weight	193.24
10347721	Mono_Isotopic_Weight	558.20900452
10801933	Hydrogen_Bond_Donor_Count	1
508	Defined_Atom_Stereo_Count	0
688563	Total_Formal_Charge	0
22212137	TPSA	18.5
61503	Defined_Bond_Stereo_Count	0
59693872	Defined_Atom_Stereo_Count	0
758	Hydrogen_Bond_Acceptor_Count	31
446873	Hydrogen_Bond_Donor_Count	4
7266	Total_Formal_Charge	0
11377211	Defined_Atom_Stereo_Count	6
713762	Undefined_Atom_Stereo_Count	0
10048368	Undefined_Atom_Stereo_Count	0
118946	Isotope_Atom_Count	0
162081	Total_Formal_Charge	0
46906319	Molecular_Weight	325.4
21578704	Undefined_Bond_Stereo_Count	0
5330196	Mono_Isotopic_Weight	456.1564330
25144717	Defined_Bond_Stereo_Count	1
134587348	Defined_Atom_Stereo_Count	1
21584147	Mono_Isotopic_Weight	100.063662883
890718	Defined_Atom_Stereo_Count	0
130	Isotope_Atom_Count	0
67818	Total_Formal_Charge	0
9886286	Rotatable_Bond_Count	6
9158	Defined_Bond_Stereo_Count	0
72165	Exact_Mass	284.152477885
123268	Tautomer_Count	1
11625778	Molecular_Weight	413.5
11261	Undefined_Bond_Stereo_Count	0
180624	Total_Formal_Charge	0
23616254	Total_Formal_Charge	0
3529	Covalent_Unit_Count	1
131634423	Covalent_Unit_Count	3
62737	Undefined_Bond_Stereo_Count	0
306	Mono_Isotopic_Weight	226.04773803
13	Mono_Isotopic_Weight	179.930033
58801077	Molecular_Weight	113.16
9949648	Covalent_Unit_Count	1
55300514	Defined_Atom_Stereo_Count	0
12207545	Undefined_Atom_Stereo_Count	0
5282948	Undefined_Bond_Stereo_Count	0
18205	Covalent_Unit_Count	2
6426924	Non-hydrogen_Atom_Count	65
19239	Covalent_Unit_Count	1
825353	TPSA	129
15450	Covalent_Unit_Count	1
3392731	Non-hydrogen_Atom_Count	35
21138	Covalent_Unit_Count	1
37918	Isotope_Atom_Count	0
354520	Non-hydrogen_Atom_Count	20
92722	Defined_Atom_Stereo_Count	3
26969	Hydrogen_Bond_Acceptor_Count	1
31368	Exact_Mass	67.042199164
23421180	Covalent_Unit_Count	1
391974	Total_Formal_Charge	0
66576989	Covalent_Unit_Count	1
317505	Molecular_Weight	310.4
9961434	Structure_Complexity	802
693241	Hydrogen_Bond_Donor_Count	0
15559064	Hydrogen_Bond_Donor_Count	0
58173	Hydrogen_Bond_Acceptor_Count	3
441032	Defined_Atom_Stereo_Count	4
10130120	Hydrogen_Bond_Donor_Count	2
19077520	Defined_Atom_Stereo_Count	0
650625	Mono_Isotopic_Weight	268.06480570
1125887	Undefined_Atom_Stereo_Count	0
32131	TPSA	124
164610	Isotope_Atom_Count	0
9863303	Structure_Complexity	546
537148	Hydrogen_Bond_Donor_Count	0
411817	Covalent_Unit_Count	1
78422638	Defined_Bond_Stereo_Count	0
84106846	Exact_Mass	114.104465066
18614	Total_Formal_Charge	0
5276614	TPSA	38.7
439846	Rotatable_Bond_Count	1
50993725	Exact_Mass	377.1279474
122360911	Hydrogen_Bond_Acceptor_Count	6
73364	Isotope_Atom_Count	0
780	Rotatable_Bond_Count	2
12431582	XLogP3-AA	1.6
144147883	Undefined_Bond_Stereo_Count	0
9879302	Defined_Bond_Stereo_Count	0
11773	Hydrogen_Bond_Acceptor_Count	0
6175	Hydrogen_Bond_Donor_Count	4
130002904	Mono_Isotopic_Weight	114.068079557
447202	Defined_Atom_Stereo_Count	7
133264	Total_Formal_Charge	0
5072	Total_Formal_Charge	0
409474	Mono_Isotopic_Weight	283.157228913
53486170	Covalent_Unit_Count	2
117957810	Defined_Atom_Stereo_Count	0
9833652	Defined_Atom_Stereo_Count	12
830140	Exact_Mass	227.05171847
21549213	Non-hydrogen_Atom_Count	7
91667825	Defined_Bond_Stereo_Count	0
9104	Non-hydrogen_Atom_Count	32
439282	Covalent_Unit_Count	1
41017	Covalent_Unit_Count	1
2978	Hydrogen_Bond_Donor_Count	1
81836	Hydrogen_Bond_Donor_Count	0
6476333	Hydrogen_Bond_Acceptor_Count	15
14022517	Defined_Atom_Stereo_Count	0
43457	Rotatable_Bond_Count	4
11485	Hydrogen_Bond_Acceptor_Count	1
7951	Rotatable_Bond_Count	0
60196362	Molecular_Weight	531.6
150067	Rotatable_Bond_Count	2
62530	Structure_Complexity	200
3058754	TPSA	95.6
10972	Covalent_Unit_Count	1
44475990	Mono_Isotopic_Weight	522.20626205
60985	Defined_Atom_Stereo_Count	0
59896759	Undefined_Bond_Stereo_Count	0
8336	XLogP3-AA	0
2752649	Undefined_Atom_Stereo_Count	0
57340467	Undefined_Atom_Stereo_Count	2
25607	XLogP3	5.5
21669	Undefined_Atom_Stereo_Count	0
5282315	Covalent_Unit_Count	2
737375	Exact_Mass	166.05646950
3890	Hydrogen_Bond_Acceptor_Count	5
3086637	Hydrogen_Bond_Acceptor_Count	10
636403	TPSA	118
92039518	Defined_Atom_Stereo_Count	0
265237	Rotatable_Bond_Count	3
5702132	Non-hydrogen_Atom_Count	18
102861	Hydrogen_Bond_Donor_Count	0
64143	Molecular_Weight	567.8
128229	Mono_Isotopic_Weight	822.40378589
284998	Rotatable_Bond_Count	5
6970	Isotope_Atom_Count	0
174341	XLogP3	5.9
44480399	Total_Formal_Charge	0
611370	TPSA	67.2
7018	XLogP3	3.7
76980	Total_Formal_Charge	0
64502	Tautomer_Count	1
115	Mono_Isotopic_Weight	229.03513872
11672461	Covalent_Unit_Count	5
18999022	Exact_Mass	99.104799419
23114997	Hydrogen_Bond_Acceptor_Count	1
1050	Covalent_Unit_Count	1
52038	Undefined_Bond_Stereo_Count	0
16312	Isotope_Atom_Count	0
834519	Isotope_Atom_Count	0
15174929	XLogP3	1.2
2618	Exact_Mass	454.03001448
60209624	Hydrogen_Bond_Donor_Count	2
161122	Molecular_Weight	137.12
819	Rotatable_Bond_Count	67
11840951	Undefined_Atom_Stereo_Count	0
4479095	Defined_Bond_Stereo_Count	0
54682930	Total_Formal_Charge	0
17754772	Hydrogen_Bond_Acceptor_Count	4
5320621	Structure_Complexity	376
23642275	Molecular_Weight	283.4
53924211	Molecular_Weight	112.09
12386566	Non-hydrogen_Atom_Count	20
100156	Undefined_Bond_Stereo_Count	0
85769	Total_Formal_Charge	0
23073857	Defined_Bond_Stereo_Count	0
58914	Isotope_Atom_Count	0
9818024	Exact_Mass	306.21949481
2871	Mono_Isotopic_Weight	362.0144595
12009	TPSA	49.4
5460700	Defined_Bond_Stereo_Count	0
23705	Undefined_Bond_Stereo_Count	0
126969097	Undefined_Bond_Stereo_Count	2
23724510	Total_Formal_Charge	0
25271790	XLogP3	0.7
23173	Structure_Complexity	204
122501	Non-hydrogen_Atom_Count	12
44462786	Hydrogen_Bond_Donor_Count	1
23448613	Undefined_Atom_Stereo_Count	0
3009	Defined_Bond_Stereo_Count	0
132274082	Undefined_Atom_Stereo_Count	2
86240135	Undefined_Bond_Stereo_Count	0
20711973	Hydrogen_Bond_Acceptor_Count	0
545831	Undefined_Atom_Stereo_Count	1
71427280	Mono_Isotopic_Weight	112.063662883
10793	Defined_Bond_Stereo_Count	0
53747824	Hydrogen_Bond_Acceptor_Count	2
37425	Structure_Complexity	161
842	Molecular_Weight	250.27
69949	Non-hydrogen_Atom_Count	8
25072736	Total_Formal_Charge	0
672296	Non-hydrogen_Atom_Count	14
21804	Non-hydrogen_Atom_Count	18
41839	Structure_Complexity	449
1857	TPSA	103
16371051	XLogP3	3.1
56841910	Defined_Atom_Stereo_Count	1
206876	Covalent_Unit_Count	1
36900	Hydrogen_Bond_Acceptor_Count	3
282	Hydrogen_Bond_Acceptor_Count	4
9105	Exact_Mass	402.140850574
71307	Undefined_Bond_Stereo_Count	0
24705	TPSA	18.5
88212048	Molecular_Weight	118.13
8924	Mono_Isotopic_Weight	215.236147938
1821	Covalent_Unit_Count	1
3080818	Structure_Complexity	373
9789	Structure_Complexity	146
3000579	Defined_Bond_Stereo_Count	0
1708	Undefined_Atom_Stereo_Count	0
2560481	Total_Formal_Charge	0
41124	Hydrogen_Bond_Donor_Count	0
93	Molecular_Weight	160.12
71776101	Exact_Mass	345.966361
77129	Rotatable_Bond_Count	0
69578	Rotatable_Bond_Count	0
75691	Defined_Atom_Stereo_Count	0
119205	Mono_Isotopic_Weight	358.14163842
6098	Covalent_Unit_Count	1
122241575	Undefined_Bond_Stereo_Count	0
118855910	Defined_Bond_Stereo_Count	0
11116296	Covalent_Unit_Count	1
61719	Structure_Complexity	444
9840851	Hydrogen_Bond_Acceptor_Count	6
342378	Covalent_Unit_Count	1
41628	Non-hydrogen_Atom_Count	28
2764874	Exact_Mass	264.07103389
71070	Hydrogen_Bond_Acceptor_Count	4
193653	Total_Formal_Charge	0
9793733	Defined_Bond_Stereo_Count	0
4337	Rotatable_Bond_Count	14
135413505	Structure_Complexity	415
98032	Exact_Mass	238.099379685
117265544	Covalent_Unit_Count	1
7654	Isotope_Atom_Count	0
123645524	Non-hydrogen_Atom_Count	85
53822827	Defined_Atom_Stereo_Count	0
17526	Rotatable_Bond_Count	8
25154200	Total_Formal_Charge	0
72022	Defined_Bond_Stereo_Count	0
22125	Structure_Complexity	395
9543528	Defined_Atom_Stereo_Count	2
66992840	Total_Formal_Charge	0
3578945	Exact_Mass	140.9510097
4402648	Undefined_Bond_Stereo_Count	0
9911502	Mono_Isotopic_Weight	447.0689409
10204	XLogP3	3.3
5365773	Molecular_Weight	254.41
5388993	Defined_Bond_Stereo_Count	0
23688957	Structure_Complexity	46.8
54362	Hydrogen_Bond_Acceptor_Count	12
92921	Exact_Mass	390.18425212
49865918	Defined_Atom_Stereo_Count	2
5462501	Rotatable_Bond_Count	8
13593925	Isotope_Atom_Count	0
14612499	Non-hydrogen_Atom_Count	7
71449585	Undefined_Bond_Stereo_Count	0
11154711	Defined_Bond_Stereo_Count	0
53707229	Mono_Isotopic_Weight	94.041864811
50997747	Molecular_Weight	380.4
34049	Hydrogen_Bond_Donor_Count	2
5320191	Covalent_Unit_Count	1
71307528	Total_Formal_Charge	0
453077	Molecular_Weight	220.27
44144393	Undefined_Atom_Stereo_Count	2
11023	Structure_Complexity	211
11457675	Rotatable_Bond_Count	3
657237	Rotatable_Bond_Count	2
1486935	Covalent_Unit_Count	1
20784557	Structure_Complexity	80.5
48918	Molecular_Weight	269.34
69158	Structure_Complexity	346
90829771	Non-hydrogen_Atom_Count	7
21702818	Molecular_Weight	109.13
17852315	Non-hydrogen_Atom_Count	8
9566269	Hydrogen_Bond_Acceptor_Count	5
16741	Covalent_Unit_Count	1
102730	Rotatable_Bond_Count	2
9915039	Undefined_Atom_Stereo_Count	0
4659568	TPSA	130
444144	Hydrogen_Bond_Acceptor_Count	7
762788	Undefined_Atom_Stereo_Count	0
43515	Non-hydrogen_Atom_Count	24
617614	Hydrogen_Bond_Donor_Count	1
8113	Rotatable_Bond_Count	4
68714	Isotope_Atom_Count	0
3734	Tautomer_Count	15
6507	Molecular_Weight	360.4
15950086	Exact_Mass	396.15101554
10034991	TPSA	49.7
12372	Non-hydrogen_Atom_Count	8
164164617	Hydrogen_Bond_Donor_Count	3
156907991	Undefined_Bond_Stereo_Count	0
9190	Isotope_Atom_Count	0
7735	Molecular_Weight	144.21
8747	Molecular_Weight	321.70
96029	Hydrogen_Bond_Donor_Count	0
67105	Hydrogen_Bond_Acceptor_Count	2
445070	Hydrogen_Bond_Acceptor_Count	1
139595131	Defined_Atom_Stereo_Count	13
129738943	Hydrogen_Bond_Acceptor_Count	2
131287	Undefined_Bond_Stereo_Count	0
60209141	Hydrogen_Bond_Donor_Count	4
5282110	Undefined_Atom_Stereo_Count	0
64328	Exact_Mass	248.225248902
91121093	Undefined_Atom_Stereo_Count	0
57081543	TPSA	56.9
15588	Mono_Isotopic_Weight	287.05422040
11197931	Rotatable_Bond_Count	1
53947578	Defined_Bond_Stereo_Count	0
91857355	Non-hydrogen_Atom_Count	23
522003	Hydrogen_Bond_Acceptor_Count	2
60196261	Defined_Atom_Stereo_Count	0
132201306	Rotatable_Bond_Count	15
6918013	Undefined_Bond_Stereo_Count	0
214398	Undefined_Bond_Stereo_Count	0
5283741	Structure_Complexity	688
62770	Isotope_Atom_Count	0
15586	Defined_Atom_Stereo_Count	0
30199	Tautomer_Count	2
9959	Total_Formal_Charge	0
42108	Hydrogen_Bond_Donor_Count	0
5479537	Undefined_Bond_Stereo_Count	0
51170	Structure_Complexity	209
87527569	Undefined_Bond_Stereo_Count	0
5282192	Total_Formal_Charge	0
11126361	Covalent_Unit_Count	1
6456015	Tautomer_Count	53
9973799	Covalent_Unit_Count	1
449343	Isotope_Atom_Count	0
9554198	Non-hydrogen_Atom_Count	21
21248212	Covalent_Unit_Count	1
92146	Defined_Bond_Stereo_Count	0
411828	Covalent_Unit_Count	1
226108	Mono_Isotopic_Weight	116.058577502
10384745	XLogP3-AA	1
123754760	Molecular_Weight	110.20
129631468	Total_Formal_Charge	0
35625	Total_Formal_Charge	0
455799	Non-hydrogen_Atom_Count	43
5273759	Undefined_Atom_Stereo_Count	0
18730046	Exact_Mass	98.109550447
89999	Hydrogen_Bond_Donor_Count	5
440005	Defined_Atom_Stereo_Count	1
57825229	Non-hydrogen_Atom_Count	26
6442778	TPSA	57.5
9861147	Hydrogen_Bond_Donor_Count	1
6432238	Exact_Mass	49.99680632
1794427	Structure_Complexity	534
5325710	Undefined_Bond_Stereo_Count	0
12607503	Covalent_Unit_Count	1
4168142	Defined_Atom_Stereo_Count	0
135544142	Hydrogen_Bond_Acceptor_Count	7
134919	Covalent_Unit_Count	1
91393578	Rotatable_Bond_Count	0
44208849	Rotatable_Bond_Count	4
6426773	Molecular_Weight	612.8
48889	Non-hydrogen_Atom_Count	18
31872	Hydrogen_Bond_Acceptor_Count	2
9548802	Undefined_Bond_Stereo_Count	0
64962	Isotope_Atom_Count	0
56835143	Hydrogen_Bond_Donor_Count	3
24350	Molecular_Weight	190.45
26346	XLogP3-AA	6.5
12820526	Hydrogen_Bond_Acceptor_Count	1
49170	Tautomer_Count	5
5156	Total_Formal_Charge	0
23262897	Isotope_Atom_Count	0
51132	Mono_Isotopic_Weight	132.078644241
54105649	Defined_Bond_Stereo_Count	0
83774	Tautomer_Count	1
135413545	Non-hydrogen_Atom_Count	38
23695905	Exact_Mass	243.08713759
400189	Molecular_Weight	439.5
16111	Exact_Mass	281.09292838
165506	Hydrogen_Bond_Donor_Count	1
486543	Defined_Atom_Stereo_Count	0
11325699	Rotatable_Bond_Count	6
77580	Hydrogen_Bond_Donor_Count	1
164633	Rotatable_Bond_Count	2
1712095	Defined_Atom_Stereo_Count	0
6961	Hydrogen_Bond_Donor_Count	4
135456190	XLogP3-AA	4.1
15174929	Mono_Isotopic_Weight	404.19473662
56134	Defined_Atom_Stereo_Count	0
8641	Non-hydrogen_Atom_Count	14
135422052	TPSA	200
9812642	Non-hydrogen_Atom_Count	101
2775641	Undefined_Atom_Stereo_Count	3
80507	Hydrogen_Bond_Acceptor_Count	3
11476171	Covalent_Unit_Count	1
153623425	Defined_Bond_Stereo_Count	0
21721513	Structure_Complexity	147
5281088	Non-hydrogen_Atom_Count	22
57396213	TPSA	102
46911864	Defined_Bond_Stereo_Count	2
358641	Mono_Isotopic_Weight	543.19000284
57575	TPSA	111
71986	Isotope_Atom_Count	0
10226546	Hydrogen_Bond_Acceptor_Count	7
18795108	Rotatable_Bond_Count	2
6618895	Undefined_Atom_Stereo_Count	0
53232451	TPSA	102
40473404	Undefined_Atom_Stereo_Count	0
14545018	Defined_Bond_Stereo_Count	0
6328035	Isotope_Atom_Count	0
65014	Covalent_Unit_Count	9
95512	Structure_Complexity	268
58962911	Isotope_Atom_Count	0
140945	Total_Formal_Charge	0
1755	Non-hydrogen_Atom_Count	15
117476	Hydrogen_Bond_Acceptor_Count	2
11830	Hydrogen_Bond_Acceptor_Count	3
59009	Undefined_Bond_Stereo_Count	0
2724159	Exact_Mass	150.104465066
57507663	Isotope_Atom_Count	0
22624677	Mono_Isotopic_Weight	179.094628657
587128	Structure_Complexity	145
11234350	Hydrogen_Bond_Acceptor_Count	6
66571	Non-hydrogen_Atom_Count	21
12339043	Total_Formal_Charge	0
58270050	Exact_Mass	111.068413911
15213038	Non-hydrogen_Atom_Count	6
25023837	Non-hydrogen_Atom_Count	30
21943184	Molecular_Weight	101.06
56734	Exact_Mass	177.05719778
517361	Exact_Mass	101.1011942
550525	Exact_Mass	339.961063
8519	Defined_Atom_Stereo_Count	0
10159630	Undefined_Bond_Stereo_Count	0
89138284	XLogP3-AA	1.8
741	Hydrogen_Bond_Donor_Count	10
12472552	Total_Formal_Charge	0
6213	Defined_Atom_Stereo_Count	0
3032396	Hydrogen_Bond_Acceptor_Count	12
5249	Total_Formal_Charge	0
22062700	Rotatable_Bond_Count	2
13186	Hydrogen_Bond_Donor_Count	1
31472	Rotatable_Bond_Count	13
11432	Structure_Complexity	38.8
5462951	Undefined_Atom_Stereo_Count	2
6604042	Undefined_Bond_Stereo_Count	0
445555	Isotope_Atom_Count	0
447234	Hydrogen_Bond_Donor_Count	1
519834	Undefined_Bond_Stereo_Count	0
6450830	Undefined_Bond_Stereo_Count	0
10186986	TPSA	105
5283853	TPSA	98
82418987	Mono_Isotopic_Weight	111.068413911
96428	Total_Formal_Charge	0
5663	Covalent_Unit_Count	1
139061810	Undefined_Bond_Stereo_Count	0
84292	Isotope_Atom_Count	0
10972	TPSA	66.4
59295925	Molecular_Weight	568.5
13388558	Molecular_Weight	310.27
12452686	Hydrogen_Bond_Acceptor_Count	2
182176	Tautomer_Count	3
81890	Defined_Atom_Stereo_Count	0
56973549	Defined_Atom_Stereo_Count	0
5460613	Isotope_Atom_Count	0
71469	Defined_Atom_Stereo_Count	27
96424	Undefined_Bond_Stereo_Count	1
7469	Hydrogen_Bond_Donor_Count	1
445063	Molecular_Weight	309.27
13611188	XLogP3-AA	2
126961335	Defined_Atom_Stereo_Count	1
83270	TPSA	46.2
90470403	Non-hydrogen_Atom_Count	13
101755686	Molecular_Weight	978.7
43095	Molecular_Weight	258.36
5365811	Isotope_Atom_Count	0
91746262	Structure_Complexity	382
2444	Hydrogen_Bond_Acceptor_Count	2
23896	Tautomer_Count	1
19324	Rotatable_Bond_Count	3
954767	Total_Formal_Charge	0
270299	Defined_Bond_Stereo_Count	0
4724212	Structure_Complexity	67.5
17090	Non-hydrogen_Atom_Count	10
23368901	Rotatable_Bond_Count	0
44229138	Structure_Complexity	317
50918929	Undefined_Bond_Stereo_Count	0
135532964	Undefined_Bond_Stereo_Count	0
5309446	Mono_Isotopic_Weight	361.1112531
8441	Undefined_Bond_Stereo_Count	0
119086018	Non-hydrogen_Atom_Count	8
91116427	Non-hydrogen_Atom_Count	7
27756	Defined_Atom_Stereo_Count	0
165995893	Isotope_Atom_Count	0
456199	Undefined_Bond_Stereo_Count	0
156591873	Non-hydrogen_Atom_Count	45
551188	Undefined_Bond_Stereo_Count	0
139820	Molecular_Weight	100.12
16757820	TPSA	141
65388	Mono_Isotopic_Weight	171.08820061
11388	Hydrogen_Bond_Donor_Count	1
12828792	TPSA	33
659009	Mono_Isotopic_Weight	313.14264148
71307528	Undefined_Atom_Stereo_Count	1
123134107	Undefined_Atom_Stereo_Count	3
92222	Undefined_Atom_Stereo_Count	0
161973	TPSA	0
5279171	Isotope_Atom_Count	0
2372	Tautomer_Count	1
750284	Undefined_Atom_Stereo_Count	0
2866	XLogP3	2.9
21359608	Rotatable_Bond_Count	1
18459757	Defined_Atom_Stereo_Count	0
14930278	Exact_Mass	431.07575
926	Undefined_Atom_Stereo_Count	8
75564	Hydrogen_Bond_Donor_Count	1
14644797	Molecular_Weight	115.13
5352837	Exact_Mass	128.120115130
129888394	XLogP3-AA	1.1
44144429	TPSA	154
1068	Defined_Atom_Stereo_Count	0
336423	Covalent_Unit_Count	1
735091	Undefined_Bond_Stereo_Count	0
21169	TPSA	55.4
12934018	Molecular_Weight	98.10
5238	Structure_Complexity	2
70694228	Undefined_Atom_Stereo_Count	0
12229743	Total_Formal_Charge	0
56949966	Total_Formal_Charge	0
12544003	Covalent_Unit_Count	1
26312	Undefined_Bond_Stereo_Count	0
7840	Covalent_Unit_Count	1
130124330	Exact_Mass	113.047678466
5283853	Non-hydrogen_Atom_Count	29
9285	Tautomer_Count	1
10028615	Exact_Mass	492.24243570
57136075	Structure_Complexity	93.2
7212	XLogP3	3.8
7064	Hydrogen_Bond_Donor_Count	2
18338555	TPSA	61.7
127657	XLogP3-AA	4.4
91590871	Hydrogen_Bond_Acceptor_Count	3
68802	Defined_Atom_Stereo_Count	0
21020205	Mono_Isotopic_Weight	99.9715923
147246033	TPSA	9.2
739183	Non-hydrogen_Atom_Count	13
3500	XLogP3-AA	2.9
10685477	Non-hydrogen_Atom_Count	22
59035	Undefined_Atom_Stereo_Count	0
19892314	Defined_Atom_Stereo_Count	0
10760	Mono_Isotopic_Weight	226.12050905
164912	Total_Formal_Charge	1
534552	Total_Formal_Charge	0
16945	Hydrogen_Bond_Acceptor_Count	0
32719	TPSA	12.4
127030167	Structure_Complexity	1980
26130	TPSA	62.8
54598306	Rotatable_Bond_Count	3
694358	Undefined_Bond_Stereo_Count	1
274074	Molecular_Weight	362.5
122903	Isotope_Atom_Count	0
4552223	Undefined_Bond_Stereo_Count	0
139254656	Isotope_Atom_Count	0
14392758	Undefined_Bond_Stereo_Count	0
12762443	Exact_Mass	111.079647300
5273569	Undefined_Atom_Stereo_Count	0
11083864	Exact_Mass	114.068079557
90753032	TPSA	190
8779	Isotope_Atom_Count	0
17001	Molecular_Weight	280.4
6843	Undefined_Atom_Stereo_Count	0
15442732	Covalent_Unit_Count	1
177084	Defined_Bond_Stereo_Count	0
79632	Non-hydrogen_Atom_Count	47
7047	Structure_Complexity	111
155259577	Isotope_Atom_Count	0
6680	Undefined_Bond_Stereo_Count	0
208838	Covalent_Unit_Count	1
45485695	Mono_Isotopic_Weight	583.2901736
6450800	Defined_Bond_Stereo_Count	1
7647	Mono_Isotopic_Weight	182.109550447
83996	Total_Formal_Charge	0
35360	Non-hydrogen_Atom_Count	12
23058074	Mono_Isotopic_Weight	111.068413911
24892775	Defined_Atom_Stereo_Count	6
398640	Undefined_Atom_Stereo_Count	0
10628031	Defined_Atom_Stereo_Count	8
59899303	TPSA	36
231880	Total_Formal_Charge	0
87595695	Rotatable_Bond_Count	3
146265392	Undefined_Atom_Stereo_Count	2
68583	Non-hydrogen_Atom_Count	36
96088	Defined_Bond_Stereo_Count	0
9919265	Hydrogen_Bond_Donor_Count	4
7020624	Mono_Isotopic_Weight	99.104799419
49993	Hydrogen_Bond_Donor_Count	0
63013	Mono_Isotopic_Weight	299.1652068
73075931	Molecular_Weight	378.4
8107	Undefined_Bond_Stereo_Count	0
12497562	Mono_Isotopic_Weight	96.057514874
38306	Rotatable_Bond_Count	1
72506564	Isotope_Atom_Count	0
706285	Defined_Atom_Stereo_Count	0
71449857	Molecular_Weight	477.4
81261	Undefined_Bond_Stereo_Count	0
10105	Defined_Atom_Stereo_Count	0
9427	Defined_Bond_Stereo_Count	0
448925	Hydrogen_Bond_Acceptor_Count	11
45073437	Tautomer_Count	1
8177	Total_Formal_Charge	0
9549180	TPSA	40.5
54586720	Molecular_Weight	314.4
53316407	Hydrogen_Bond_Donor_Count	0
824060	Undefined_Bond_Stereo_Count	0
98511	Rotatable_Bond_Count	2
90753032	Covalent_Unit_Count	1
6439522	Defined_Bond_Stereo_Count	1
46891563	Defined_Atom_Stereo_Count	2
35876	Hydrogen_Bond_Donor_Count	0
4075158	Rotatable_Bond_Count	11
81133	Undefined_Bond_Stereo_Count	0
10313094	Undefined_Bond_Stereo_Count	0
60196377	Non-hydrogen_Atom_Count	10
73013	Non-hydrogen_Atom_Count	27
48783	Exact_Mass	210.10044231
94310	Covalent_Unit_Count	1
23311753	Hydrogen_Bond_Acceptor_Count	3
10197650	Rotatable_Bond_Count	2
3417	Defined_Bond_Stereo_Count	0
178080	Defined_Bond_Stereo_Count	0
8916	Hydrogen_Bond_Acceptor_Count	1
91298647	Defined_Atom_Stereo_Count	0
54224045	Isotope_Atom_Count	0
44475367	Undefined_Bond_Stereo_Count	0
5362115	Covalent_Unit_Count	2
123304022	Total_Formal_Charge	0
7963	Isotope_Atom_Count	0
4191617	XLogP3	2.1
18929959	Defined_Atom_Stereo_Count	0
23617864	Hydrogen_Bond_Acceptor_Count	2
5324720	Undefined_Atom_Stereo_Count	0
57392505	Molecular_Weight	463.5
110635	Hydrogen_Bond_Acceptor_Count	4
18360	Undefined_Bond_Stereo_Count	0
53936618	Isotope_Atom_Count	0
12207122	Hydrogen_Bond_Donor_Count	1
10146470	Tautomer_Count	2
12870232	Defined_Bond_Stereo_Count	0
97982	Non-hydrogen_Atom_Count	15
12580	Mono_Isotopic_Weight	136.088815002
19014	Non-hydrogen_Atom_Count	14
694647	Exact_Mass	246.06269769
8881	Undefined_Atom_Stereo_Count	0
73465	Exact_Mass	246.125594432
81512	Non-hydrogen_Atom_Count	7
5324584	Defined_Atom_Stereo_Count	0
40510	Isotope_Atom_Count	0
1457	Isotope_Atom_Count	0
449284	Defined_Atom_Stereo_Count	0
10634	TPSA	40.5
34751	Total_Formal_Charge	0
520455	Hydrogen_Bond_Donor_Count	0
9843941	Undefined_Bond_Stereo_Count	0
444234	Defined_Bond_Stereo_Count	0
7527	Hydrogen_Bond_Acceptor_Count	1
46783812	Covalent_Unit_Count	5
68321874	Structure_Complexity	582
52999	Exact_Mass	381.07430439
5977	Mono_Isotopic_Weight	175.956248
73330464	Tautomer_Count	3
18182	TPSA	49.9
20479971	Defined_Atom_Stereo_Count	0
61389	Structure_Complexity	971
219025	Structure_Complexity	800
52948643	Hydrogen_Bond_Acceptor_Count	5
91820142	Molecular_Weight	665.7
15266968	Non-hydrogen_Atom_Count	8
7337	Isotope_Atom_Count	0
581866	Molecular_Weight	128.56
24202578	Total_Formal_Charge	0
64628	Tautomer_Count	3
64200	Hydrogen_Bond_Acceptor_Count	2
6673	Hydrogen_Bond_Donor_Count	0
12394845	Rotatable_Bond_Count	0
23262349	Hydrogen_Bond_Acceptor_Count	1
21706433	Molecular_Weight	99.13
22103887	Defined_Atom_Stereo_Count	0
2728270	Non-hydrogen_Atom_Count	24
68603	Exact_Mass	428.1997337
131954786	Molecular_Weight	3357.9
46205408	Hydrogen_Bond_Acceptor_Count	8
5420	Structure_Complexity	336
139807	Hydrogen_Bond_Donor_Count	0
11954350	Structure_Complexity	593
82412	Undefined_Atom_Stereo_Count	0
10143016	TPSA	87.3
23668353	Structure_Complexity	262
10453145	Rotatable_Bond_Count	6
323	Molecular_Weight	146.14
520913	Isotope_Atom_Count	0
15032	Rotatable_Bond_Count	1
107927	TPSA	78.8
23305305	Defined_Atom_Stereo_Count	14
137018	TPSA	20.2
156599225	Exact_Mass	490.36582469
57396041	Undefined_Atom_Stereo_Count	0
12303048	Isotope_Atom_Count	0
7163	Covalent_Unit_Count	1
46848036	TPSA	99.2
16363	Isotope_Atom_Count	0
88155838	XLogP3-AA	5.1
9075	Mono_Isotopic_Weight	157.0658271
945090	Defined_Atom_Stereo_Count	0
985126	Mono_Isotopic_Weight	463.9822900
9552081	Non-hydrogen_Atom_Count	60
520366	TPSA	0
70680234	Undefined_Bond_Stereo_Count	0
10340	TPSA	63.2
23379007	Rotatable_Bond_Count	0
3384	Rotatable_Bond_Count	1
101798	Defined_Atom_Stereo_Count	5
38088	Hydrogen_Bond_Donor_Count	1
21713016	Undefined_Bond_Stereo_Count	0
136231689	Defined_Bond_Stereo_Count	0
72098	Defined_Bond_Stereo_Count	0
59904077	Exact_Mass	342.11621151
12399560	Isotope_Atom_Count	0
18338555	XLogP3-AA	0.2
447153	Hydrogen_Bond_Donor_Count	1
2777982	Tautomer_Count	3
53935056	Structure_Complexity	37.1
54692950	Exact_Mass	514.20636393
3025803	Defined_Atom_Stereo_Count	0
21327	TPSA	67.6
102090452	Hydrogen_Bond_Acceptor_Count	18
20041648	Hydrogen_Bond_Donor_Count	1
69860	Total_Formal_Charge	0
606430	Mono_Isotopic_Weight	208.109944368
14069104	Undefined_Atom_Stereo_Count	2
69589310	Defined_Atom_Stereo_Count	0
4753	XLogP3	0.9
101944071	Hydrogen_Bond_Acceptor_Count	4
100439	Mono_Isotopic_Weight	190.04907545
9816506	Covalent_Unit_Count	1
119047	Undefined_Atom_Stereo_Count	0
5315472	Exact_Mass	308.10485899
12285873	Structure_Complexity	151
121395450	Non-hydrogen_Atom_Count	21
159594	Non-hydrogen_Atom_Count	37
213016	TPSA	69.5
57927934	Hydrogen_Bond_Donor_Count	2
6413529	Defined_Bond_Stereo_Count	2
5236	Structure_Complexity	37.4
8079	Non-hydrogen_Atom_Count	6
57280823	Undefined_Bond_Stereo_Count	0
71571512	Mono_Isotopic_Weight	527.23263824
78224604	Defined_Atom_Stereo_Count	2
232446	Mono_Isotopic_Weight	268.146329876
2724290	Defined_Bond_Stereo_Count	0
7048634	Mono_Isotopic_Weight	395.03715355
16412	Undefined_Bond_Stereo_Count	0
38253	Hydrogen_Bond_Acceptor_Count	2
754	Undefined_Atom_Stereo_Count	1
24808640	Hydrogen_Bond_Donor_Count	0
3661	Structure_Complexity	353
334657	Undefined_Atom_Stereo_Count	0
12508258	Covalent_Unit_Count	1
11638363	Defined_Bond_Stereo_Count	0
2021	Defined_Bond_Stereo_Count	0
11029762	Covalent_Unit_Count	1
147007373	Hydrogen_Bond_Acceptor_Count	1
15920952	Hydrogen_Bond_Donor_Count	1
53759081	Defined_Atom_Stereo_Count	0
81713	Defined_Bond_Stereo_Count	0
6419884	Covalent_Unit_Count	2
17836	XLogP3	3
11062432	Undefined_Atom_Stereo_Count	0
52159	Tautomer_Count	2
83656	Non-hydrogen_Atom_Count	23
22379495	Molecular_Weight	101.15
6326334	Hydrogen_Bond_Acceptor_Count	8
11716	Mono_Isotopic_Weight	72.057514874
534241	Molecular_Weight	96.09
99915	Hydrogen_Bond_Acceptor_Count	2
66426486	Non-hydrogen_Atom_Count	8
14872190	Exact_Mass	103.063328530
156693	Hydrogen_Bond_Donor_Count	2
3092	Total_Formal_Charge	0
14265921	Defined_Bond_Stereo_Count	0
92722	Hydrogen_Bond_Acceptor_Count	8
139920	Defined_Atom_Stereo_Count	0
23730921	XLogP3-AA	0.3
11212667	Undefined_Atom_Stereo_Count	0
13785328	Hydrogen_Bond_Acceptor_Count	5
3359	Undefined_Bond_Stereo_Count	0
3037261	Mono_Isotopic_Weight	233.05104977
20591068	XLogP3-AA	1.8
54283855	Isotope_Atom_Count	0
6479523	TPSA	173
5282947	Undefined_Bond_Stereo_Count	0
3862646	Mono_Isotopic_Weight	612.7618
71987	Defined_Bond_Stereo_Count	0
12692921	Isotope_Atom_Count	0
11105	Molecular_Weight	288.77
8799	Total_Formal_Charge	0
44208919	Rotatable_Bond_Count	12
135618542	TPSA	299
64994767	Rotatable_Bond_Count	1
29675	Hydrogen_Bond_Donor_Count	3
91601	Defined_Atom_Stereo_Count	0
904857	Total_Formal_Charge	0
16274	Defined_Atom_Stereo_Count	0
65670951	Hydrogen_Bond_Donor_Count	0
20382009	Exact_Mass	112.088815002
21954776	Total_Formal_Charge	0
3037886	Mono_Isotopic_Weight	231.162314293
75240	TPSA	38
31233	Covalent_Unit_Count	1
11197252	Isotope_Atom_Count	0
87490405	Molecular_Weight	111.10
22278	Undefined_Bond_Stereo_Count	0
105039	Structure_Complexity	198
7087	XLogP3	3.9
62336	Hydrogen_Bond_Acceptor_Count	2
134688930	Rotatable_Bond_Count	1
102148036	Hydrogen_Bond_Donor_Count	2
7126	Hydrogen_Bond_Acceptor_Count	5
509147	Isotope_Atom_Count	0
43261	Rotatable_Bond_Count	7
5956	Structure_Complexity	1920
13046623	Hydrogen_Bond_Acceptor_Count	1
63049	Isotope_Atom_Count	0
10591878	TPSA	49.8
68321730	Structure_Complexity	657
98723	Defined_Atom_Stereo_Count	0
71583269	Undefined_Bond_Stereo_Count	0
44395178	Mono_Isotopic_Weight	477.1567673
21581715	TPSA	43.1
68009554	Non-hydrogen_Atom_Count	23
3649	Defined_Atom_Stereo_Count	0
642110	Hydrogen_Bond_Acceptor_Count	2
46916280	Total_Formal_Charge	0
5329102	Non-hydrogen_Atom_Count	29
415628	Exact_Mass	196.0767261
62781	Molecular_Weight	149.66
9955014	Structure_Complexity	545
39212	Exact_Mass	491.18793473
134497943	Isotope_Atom_Count	0
56427	Molecular_Weight	217.31
447021	XLogP3-AA	2.4
443979	Molecular_Weight	388.5
6433198	Covalent_Unit_Count	3
16115	Tautomer_Count	2
7486	Defined_Bond_Stereo_Count	0
65770	Undefined_Bond_Stereo_Count	0
5311429	Hydrogen_Bond_Donor_Count	2
592915	Isotope_Atom_Count	0
74581	Exact_Mass	161.02992040
16960	Mono_Isotopic_Weight	318.07316
51253	Hydrogen_Bond_Acceptor_Count	2
145937	Total_Formal_Charge	0
13776	Mono_Isotopic_Weight	516.23277935
70412	Structure_Complexity	377
14897383	Defined_Atom_Stereo_Count	0
6537431	Total_Formal_Charge	0
69986	Mono_Isotopic_Weight	139.026943022
59059038	Defined_Bond_Stereo_Count	0
4543	Tautomer_Count	1
46783812	Tautomer_Count	1001
65731	Non-hydrogen_Atom_Count	20
23662264	Mono_Isotopic_Weight	217.906892
15306	Exact_Mass	86.073164938
12263801	Mono_Isotopic_Weight	266.178298710
9049	Structure_Complexity	355
447021	Defined_Atom_Stereo_Count	0
21637412	Undefined_Atom_Stereo_Count	0
36272	Hydrogen_Bond_Donor_Count	0
12394645	Defined_Atom_Stereo_Count	0
11147674	Defined_Atom_Stereo_Count	0
24182914	Structure_Complexity	121
95913783	Undefined_Atom_Stereo_Count	0
232789	Exact_Mass	195.936181
134925337	Molecular_Weight	101.15
167253	Undefined_Atom_Stereo_Count	0
14369	Structure_Complexity	334
38972	Total_Formal_Charge	0
66048	Non-hydrogen_Atom_Count	8
3976	Covalent_Unit_Count	1
23394557	TPSA	93.2
81762	Hydrogen_Bond_Acceptor_Count	4
56609761	Defined_Atom_Stereo_Count	0
57399142	Defined_Atom_Stereo_Count	0
13082553	Defined_Atom_Stereo_Count	0
60155366	Hydrogen_Bond_Donor_Count	0
7067872	Mono_Isotopic_Weight	303.14705815
5289514	Covalent_Unit_Count	1
45588096	Hydrogen_Bond_Donor_Count	58
5475462	Non-hydrogen_Atom_Count	11
198253	Molecular_Weight	133.17
95496	Molecular_Weight	195.20
853433	Defined_Bond_Stereo_Count	1
93418	Hydrogen_Bond_Donor_Count	5
5287540	Undefined_Bond_Stereo_Count	0
52948200	Non-hydrogen_Atom_Count	29
41206	Molecular_Weight	240.34
76487	TPSA	70.1
89033918	Molecular_Weight	108.10
17541	Undefined_Atom_Stereo_Count	0
135436538	Rotatable_Bond_Count	4
5815211	Exact_Mass	514.01091900
57442010	TPSA	116
87329230	Defined_Bond_Stereo_Count	0
9356	Isotope_Atom_Count	0
122282	Mono_Isotopic_Weight	198.11167570
449087	Exact_Mass	291.137162174
7982	Isotope_Atom_Count	0
210326	Covalent_Unit_Count	1
7999	Molecular_Weight	288.70
76519	Hydrogen_Bond_Donor_Count	1
12786810	Total_Formal_Charge	0
139062655	Hydrogen_Bond_Donor_Count	5
97919	Isotope_Atom_Count	0
21879777	Non-hydrogen_Atom_Count	11
23687810	TPSA	53
10306	Tautomer_Count	1
6442793	Rotatable_Bond_Count	5
101249755	Non-hydrogen_Atom_Count	25
14440271	Defined_Atom_Stereo_Count	0
451668	Rotatable_Bond_Count	2
24207195	Defined_Atom_Stereo_Count	9
10965866	Hydrogen_Bond_Donor_Count	0
448513	Molecular_Weight	150.18
2377	Structure_Complexity	238
154013151	Mono_Isotopic_Weight	116.047344113
94313	Hydrogen_Bond_Acceptor_Count	2
83872	Exact_Mass	258.11504700
66036969	Molecular_Weight	112.13
57401194	Molecular_Weight	420.6
10675	Isotope_Atom_Count	0
12749134	Mono_Isotopic_Weight	115.063328530
13389	Mono_Isotopic_Weight	107.037113783
9894291	Isotope_Atom_Count	0
4630917	Undefined_Bond_Stereo_Count	0
12245594	XLogP3-AA	1.7
852452	Defined_Atom_Stereo_Count	0
59286	Structure_Complexity	290
3294	Hydrogen_Bond_Acceptor_Count	4
441411	Total_Formal_Charge	0
124946	TPSA	46.6
5442	Rotatable_Bond_Count	0
9847	Exact_Mass	92.04375652
4235600	TPSA	52
139291730	Molecular_Weight	844.0
9814448	Undefined_Bond_Stereo_Count	0
11815284	TPSA	21.3
22601	Hydrogen_Bond_Donor_Count	1
10058	Isotope_Atom_Count	0
6450173	Undefined_Atom_Stereo_Count	0
62329	Covalent_Unit_Count	1
15189029	Isotope_Atom_Count	0
13275542	Structure_Complexity	137
107770	Undefined_Atom_Stereo_Count	2
13668	Hydrogen_Bond_Acceptor_Count	3
146131	Molecular_Weight	180.16
6973640	Non-hydrogen_Atom_Count	11
130150414	Mono_Isotopic_Weight	118.02660867
10432339	Exact_Mass	421.0863050
4561	Covalent_Unit_Count	1
443157	Total_Formal_Charge	0
23182417	Hydrogen_Bond_Donor_Count	1
24848201	Defined_Bond_Stereo_Count	0
14232	Hydrogen_Bond_Donor_Count	1
6604756	Defined_Atom_Stereo_Count	2
277406	Non-hydrogen_Atom_Count	8
143162854	Molecular_Weight	110.16
27461	Hydrogen_Bond_Acceptor_Count	10
736351	Non-hydrogen_Atom_Count	17
87468122	Rotatable_Bond_Count	3
65970	Total_Formal_Charge	0
54677674	XLogP3-AA	3.5
10718	Structure_Complexity	338
87612217	Hydrogen_Bond_Donor_Count	1
54360	Non-hydrogen_Atom_Count	28
122361564	Tautomer_Count	15
517827	Undefined_Bond_Stereo_Count	0
163636613	Undefined_Bond_Stereo_Count	0
5311093	Exact_Mass	417.32429423
8785	Non-hydrogen_Atom_Count	11
98086793	Undefined_Atom_Stereo_Count	0
837924	Undefined_Atom_Stereo_Count	0
57401194	Undefined_Bond_Stereo_Count	0
6540	TPSA	72.4
131750205	Exact_Mass	1103.80140071
44410953	Structure_Complexity	617
98136	Hydrogen_Bond_Donor_Count	1
84715998	Isotope_Atom_Count	0
22094	Non-hydrogen_Atom_Count	22
58152970	Hydrogen_Bond_Donor_Count	0
170472	Hydrogen_Bond_Donor_Count	2
89374436	Undefined_Atom_Stereo_Count	0
643681	Total_Formal_Charge	0
12874682	Hydrogen_Bond_Acceptor_Count	2
4567175	Hydrogen_Bond_Donor_Count	1
162743	Undefined_Bond_Stereo_Count	0
61574	Hydrogen_Bond_Acceptor_Count	3
33515	TPSA	12.9
10718	Molecular_Weight	257.24
5326956	Molecular_Weight	537.5
443604	Non-hydrogen_Atom_Count	34
7813	Mono_Isotopic_Weight	107.073499291
13597081	Molecular_Weight	102.13
7267	Exact_Mass	122.073164938
53484567	Defined_Bond_Stereo_Count	0
88705	XLogP3-AA	2.4
135580753	Hydrogen_Bond_Acceptor_Count	4
53846419	Non-hydrogen_Atom_Count	30
82468	Defined_Atom_Stereo_Count	0
21158442	Covalent_Unit_Count	1
27295	Defined_Atom_Stereo_Count	0
129317	TPSA	77.8
10197650	Total_Formal_Charge	0
156618179	Exact_Mass	342.11621151
73093	Undefined_Atom_Stereo_Count	0
44144517	Undefined_Bond_Stereo_Count	0
4077	Hydrogen_Bond_Acceptor_Count	4
1899	Covalent_Unit_Count	1
12580	Structure_Complexity	82.7
448537	Mono_Isotopic_Weight	268.146329876
3086674	Isotope_Atom_Count	1
94215	Undefined_Atom_Stereo_Count	1
657251	Exact_Mass	388.0987820
87476740	Isotope_Atom_Count	0
45359047	Mono_Isotopic_Weight	372.24922409
12260467	XLogP3-AA	1.3
12820337	Defined_Atom_Stereo_Count	0
19838	Mono_Isotopic_Weight	130.099379685
62414	Hydrogen_Bond_Donor_Count	0
53738849	Molecular_Weight	112.09
10815	Isotope_Atom_Count	0
153684851	Undefined_Atom_Stereo_Count	1
5330213	Rotatable_Bond_Count	5
68741	Mono_Isotopic_Weight	399.27734404
26058	TPSA	0
62751	Hydrogen_Bond_Donor_Count	0
5388983	Rotatable_Bond_Count	10
134816864	Defined_Bond_Stereo_Count	0
9806063	Isotope_Atom_Count	0
67899	Undefined_Atom_Stereo_Count	0
22212137	Total_Formal_Charge	0
25199580	TPSA	76.6
58221870	Isotope_Atom_Count	0
19810797	Molecular_Weight	116.16
8929	Hydrogen_Bond_Donor_Count	0
116225458	Covalent_Unit_Count	1
59481545	Undefined_Atom_Stereo_Count	0
71302984	Defined_Atom_Stereo_Count	0
2735142	Covalent_Unit_Count	2
3035657	Isotope_Atom_Count	0
295042	Defined_Atom_Stereo_Count	0
367656	Hydrogen_Bond_Donor_Count	0
18518868	Hydrogen_Bond_Acceptor_Count	3
36312	Undefined_Bond_Stereo_Count	0
7060	Undefined_Bond_Stereo_Count	0
16081932	Covalent_Unit_Count	1
12613538	Mono_Isotopic_Weight	177.090211983
17461	Hydrogen_Bond_Donor_Count	8
9829639	Rotatable_Bond_Count	4
42006	Total_Formal_Charge	0
522003	Exact_Mass	132.115029749
4592	Defined_Atom_Stereo_Count	0
20708	Mono_Isotopic_Weight	291.2692779
70810	Rotatable_Bond_Count	1
9555	Hydrogen_Bond_Acceptor_Count	21
21365956	Structure_Complexity	364
141758017	Total_Formal_Charge	0
4427	Non-hydrogen_Atom_Count	21
21566834	Rotatable_Bond_Count	1
3901	Exact_Mass	566.36073931
17756	Covalent_Unit_Count	1
157820065	XLogP3-AA	2.5
32122	Undefined_Atom_Stereo_Count	1
71455217	Molecular_Weight	526.5
13618050	XLogP3-AA	0.5
11967214	Exact_Mass	801.34907
133025	Undefined_Bond_Stereo_Count	0
161561	Mono_Isotopic_Weight	430.1093467
10457387	Structure_Complexity	462
60943	Molecular_Weight	620.5
74736	Defined_Bond_Stereo_Count	0
82234717	Exact_Mass	100.063662883
8027	Undefined_Atom_Stereo_Count	0
27713	Molecular_Weight	271.74
2465	Non-hydrogen_Atom_Count	23
3605	Undefined_Bond_Stereo_Count	0
3086674	Hydrogen_Bond_Acceptor_Count	4
21364247	Undefined_Bond_Stereo_Count	0
446308	Hydrogen_Bond_Acceptor_Count	4
24480	Structure_Complexity	2.8
4092	Structure_Complexity	138
71072050	Undefined_Atom_Stereo_Count	0
23204	TPSA	0
135887820	Structure_Complexity	1730
11977152	Exact_Mass	191.1845299
8351	TPSA	3.2
15055958	Hydrogen_Bond_Acceptor_Count	2
44521023	Defined_Bond_Stereo_Count	0
89748954	Undefined_Atom_Stereo_Count	2
11475	Non-hydrogen_Atom_Count	9
60196307	Defined_Bond_Stereo_Count	0
9912639	Isotope_Atom_Count	0
11648276	Structure_Complexity	636
6419	Covalent_Unit_Count	1
23615703	Molecular_Weight	204.18
14341511	XLogP3-AA	0.2
16097	Covalent_Unit_Count	1
45357147	Undefined_Atom_Stereo_Count	13
142775	Hydrogen_Bond_Donor_Count	4
520721	Isotope_Atom_Count	0
89100	Isotope_Atom_Count	0
638278	Hydrogen_Bond_Donor_Count	3
439278	Covalent_Unit_Count	1
18727537	Exact_Mass	98.084398327
63939	Undefined_Atom_Stereo_Count	0
69229	Mono_Isotopic_Weight	182.06914219
6092	Non-hydrogen_Atom_Count	14
10142377	TPSA	149
517637	TPSA	52.6
11062343	XLogP3-AA	1.7
12539494	Isotope_Atom_Count	0
83656	Defined_Atom_Stereo_Count	0
93843	Undefined_Bond_Stereo_Count	0
7999	Non-hydrogen_Atom_Count	7
5372879	TPSA	55
156618055	Molecular_Weight	342.30
17820197	Hydrogen_Bond_Donor_Count	0
61235	Defined_Bond_Stereo_Count	0
138122	Covalent_Unit_Count	1
916	Non-hydrogen_Atom_Count	17
68678	Undefined_Bond_Stereo_Count	0
57369411	Structure_Complexity	1370
10012220	Total_Formal_Charge	0
261790	Tautomer_Count	1
444183	Hydrogen_Bond_Donor_Count	4
92843	Hydrogen_Bond_Donor_Count	3
56972198	Mono_Isotopic_Weight	282.0690539
9419	Isotope_Atom_Count	0
8972	Hydrogen_Bond_Donor_Count	1
22796701	Isotope_Atom_Count	0
5281878	Undefined_Bond_Stereo_Count	0
57507	Hydrogen_Bond_Donor_Count	1
5459318	Molecular_Weight	525.6
62865	Covalent_Unit_Count	1
136430	Total_Formal_Charge	0
53709010	Mono_Isotopic_Weight	188.11609238
2267	Defined_Atom_Stereo_Count	0
15217249	Undefined_Atom_Stereo_Count	1
233552	Rotatable_Bond_Count	4
5362893	Isotope_Atom_Count	0
4953	TPSA	74.6
12870232	Undefined_Atom_Stereo_Count	0
10100	Structure_Complexity	397
13081	Molecular_Weight	342.9
6713368	Defined_Bond_Stereo_Count	0
10898	Hydrogen_Bond_Acceptor_Count	1
12389	XLogP3	7.2
2405	Non-hydrogen_Atom_Count	23
137580	Structure_Complexity	55.4
53174	Isotope_Atom_Count	0
26314	Total_Formal_Charge	0
444305	Covalent_Unit_Count	1
535480	Rotatable_Bond_Count	2
23627460	Hydrogen_Bond_Donor_Count	3
97727	Total_Formal_Charge	0
19536	Hydrogen_Bond_Donor_Count	0
22418719	Total_Formal_Charge	0
44338989	XLogP3-AA	3.6
5086465	Molecular_Weight	91.11
49862577	Undefined_Atom_Stereo_Count	1
108108	Total_Formal_Charge	0
76767	Covalent_Unit_Count	1
137090	Rotatable_Bond_Count	0
16891	Molecular_Weight	242.27
53420268	Hydrogen_Bond_Donor_Count	0
894468	Rotatable_Bond_Count	4
11702	Undefined_Bond_Stereo_Count	0
6278	Mono_Isotopic_Weight	131.930033
675533	Exact_Mass	283.09569129
2354	Non-hydrogen_Atom_Count	21
123195	Mono_Isotopic_Weight	30.021798072
164914198	TPSA	9.2
9814448	Tautomer_Count	2
5355856	Molecular_Weight	224.34
31117	Defined_Bond_Stereo_Count	0
13084	Isotope_Atom_Count	0
35330	Defined_Bond_Stereo_Count	0
68260574	Total_Formal_Charge	0
12848394	Isotope_Atom_Count	0
155971294	Covalent_Unit_Count	1
54585643	TPSA	89
288862	TPSA	0
16132767	Molecular_Weight	1132.1
4223	Rotatable_Bond_Count	7
93335	Undefined_Atom_Stereo_Count	1
16950	Exact_Mass	290.12263431
56841020	Rotatable_Bond_Count	4
9589	Rotatable_Bond_Count	1
72741573	Defined_Bond_Stereo_Count	0
23692128	Total_Formal_Charge	0
133085	Defined_Atom_Stereo_Count	0
55299692	Undefined_Atom_Stereo_Count	1
76035516	Covalent_Unit_Count	1
70686474	Rotatable_Bond_Count	7
61585	Molecular_Weight	244.37
4479095	Exact_Mass	596.8033
57417192	TPSA	231
129754695	Hydrogen_Bond_Donor_Count	0
440175	Total_Formal_Charge	0
24181110	Rotatable_Bond_Count	0
62430	Total_Formal_Charge	0
25588	Defined_Bond_Stereo_Count	0
22833489	Mono_Isotopic_Weight	345.938317
46724	Defined_Bond_Stereo_Count	0
25256833	Mono_Isotopic_Weight	275.18584370
34457	Defined_Atom_Stereo_Count	7
6915744	Total_Formal_Charge	0
603946	Hydrogen_Bond_Acceptor_Count	3
16720	Non-hydrogen_Atom_Count	12
20490762	Mono_Isotopic_Weight	122.00376522
57402175	Covalent_Unit_Count	1
674	Exact_Mass	45.057849228
62328	Structure_Complexity	264
123070	Structure_Complexity	0
642209	Structure_Complexity	95.6
122528532	Hydrogen_Bond_Acceptor_Count	3
440064	Defined_Atom_Stereo_Count	2
16351	Covalent_Unit_Count	1
121494123	Molecular_Weight	7165
138107735	Molecular_Weight	527.5
77569	Mono_Isotopic_Weight	214.95819
10162630	Undefined_Atom_Stereo_Count	0
7132	Structure_Complexity	263
135297777	TPSA	39.2
12812295	Exact_Mass	111.068413911
56659408	Undefined_Atom_Stereo_Count	0
87183060	Undefined_Atom_Stereo_Count	0
40468194	Undefined_Bond_Stereo_Count	0
101015849	Exact_Mass	182.07009777
11886769	Structure_Complexity	382
71512	Rotatable_Bond_Count	5
5462814	Covalent_Unit_Count	1
2562	Exact_Mass	333.23039385
8995	Hydrogen_Bond_Donor_Count	0
20821286	Undefined_Bond_Stereo_Count	0
18410493	Hydrogen_Bond_Acceptor_Count	1
14325611	Mono_Isotopic_Weight	105.078978594
5464097	Hydrogen_Bond_Donor_Count	3
447076	Exact_Mass	395.19573968
704316	XLogP3-AA	2
5288564	Isotope_Atom_Count	0
9727	Rotatable_Bond_Count	3
6276	TPSA	20.2
328257	Exact_Mass	97.052763847
136430	Structure_Complexity	140
59174488	Covalent_Unit_Count	1
44244962	Exact_Mass	258.11033829
7207	Isotope_Atom_Count	0
91663303	Rotatable_Bond_Count	9
53465849	Rotatable_Bond_Count	6
49806720	Covalent_Unit_Count	1
155087254	Isotope_Atom_Count	0
93205	Mono_Isotopic_Weight	385.17500423
4830	Isotope_Atom_Count	0
87963836	Undefined_Bond_Stereo_Count	0
65776	Molecular_Weight	350.5
10322586	Defined_Atom_Stereo_Count	1
5365327	Hydrogen_Bond_Acceptor_Count	2
10103132	Undefined_Bond_Stereo_Count	0
70060	TPSA	75.4
88976	Defined_Atom_Stereo_Count	0
23703990	Isotope_Atom_Count	0
62705859	Molecular_Weight	457.4
10474	Undefined_Atom_Stereo_Count	0
61140	Undefined_Bond_Stereo_Count	0
87184	Defined_Bond_Stereo_Count	0
157903531	Defined_Atom_Stereo_Count	0
18459757	Defined_Bond_Stereo_Count	0
73707684	Structure_Complexity	79.8
93502	Rotatable_Bond_Count	4
49869312	Total_Formal_Charge	0
10818	Covalent_Unit_Count	1
17884	Isotope_Atom_Count	0
9933991	Non-hydrogen_Atom_Count	3
71200	Exact_Mass	292.215078140
21673601	Mono_Isotopic_Weight	276.14739250
66863	Hydrogen_Bond_Acceptor_Count	6
23725019	Hydrogen_Bond_Acceptor_Count	4
138403272	Rotatable_Bond_Count	3
141869079	Non-hydrogen_Atom_Count	7
90019869	Rotatable_Bond_Count	0
92154	Structure_Complexity	269
31729	Exact_Mass	287.15214353
237	Hydrogen_Bond_Donor_Count	1
49865963	Defined_Bond_Stereo_Count	0
68740	Molecular_Weight	272.09
135419182	Undefined_Atom_Stereo_Count	0
34553	Covalent_Unit_Count	1
131110184	Defined_Atom_Stereo_Count	0
25142310	Defined_Bond_Stereo_Count	0
108835	Rotatable_Bond_Count	3
13694815	Structure_Complexity	96.4
3246941	Isotope_Atom_Count	0
69808	Molecular_Weight	114.26
135860757	Hydrogen_Bond_Acceptor_Count	5
12452021	XLogP3-AA	1.2
20056625	Mono_Isotopic_Weight	427.998507
4953	Mono_Isotopic_Weight	334.21440943
54675854	Defined_Atom_Stereo_Count	0
640997	Structure_Complexity	37.9
1525	Hydrogen_Bond_Acceptor_Count	11
66550979	Undefined_Atom_Stereo_Count	0
70465919	Covalent_Unit_Count	1
45488115	Total_Formal_Charge	0
4357	Structure_Complexity	246
5523	Non-hydrogen_Atom_Count	19
528405	Undefined_Atom_Stereo_Count	0
59295974	TPSA	133
136586	XLogP3-AA	1.4
16049376	Defined_Atom_Stereo_Count	1
458186	Undefined_Atom_Stereo_Count	0
13766702	TPSA	9.2
322968	TPSA	60.8
21691039	Total_Formal_Charge	0
91245129	Undefined_Atom_Stereo_Count	0
926580	Exact_Mass	279.05000439
5326161	Total_Formal_Charge	0
460612	TPSA	66.6
21749202	Structure_Complexity	78.6
523523	XLogP3-AA	2.3
19892314	Defined_Bond_Stereo_Count	0
2734678	Hydrogen_Bond_Acceptor_Count	5
94011387	Hydrogen_Bond_Donor_Count	8
130770920	Hydrogen_Bond_Acceptor_Count	2
5484450	TPSA	45.6
572516	Mono_Isotopic_Weight	108.068748264
14869	Structure_Complexity	266
12310	Structure_Complexity	58.6
7030	Hydrogen_Bond_Donor_Count	0
13364	TPSA	3.2
156460742	Rotatable_Bond_Count	3
21061676	Defined_Bond_Stereo_Count	0
3015783	Molecular_Weight	558.83
43082	TPSA	12.5
445344	Hydrogen_Bond_Acceptor_Count	22
240	Tautomer_Count	2
11496886	Non-hydrogen_Atom_Count	26
91298633	Hydrogen_Bond_Donor_Count	1
9007	Rotatable_Bond_Count	1
21584147	Covalent_Unit_Count	1
5619	Defined_Atom_Stereo_Count	0
91847008	Covalent_Unit_Count	1
73162904	Non-hydrogen_Atom_Count	21
706529	Defined_Bond_Stereo_Count	0
968472	Exact_Mass	328.14230712
96670	Mono_Isotopic_Weight	294.125594432
57401368	Mono_Isotopic_Weight	432.21951207
12302693	Mono_Isotopic_Weight	342.11621151
83003418	Undefined_Atom_Stereo_Count	0
37247	Covalent_Unit_Count	1
359784	Undefined_Bond_Stereo_Count	0
129015152	Undefined_Atom_Stereo_Count	0
9160	Rotatable_Bond_Count	0
16722126	Defined_Bond_Stereo_Count	0
52948146	Rotatable_Bond_Count	5
11974	Rotatable_Bond_Count	8
9583	Isotope_Atom_Count	0
79126	TPSA	40.5
69967	Tautomer_Count	1
5283345	Hydrogen_Bond_Acceptor_Count	1
36037	Structure_Complexity	294
199402	Non-hydrogen_Atom_Count	85
436542	Mono_Isotopic_Weight	207.104799419
21123938	Mono_Isotopic_Weight	410.18417193
49937	Hydrogen_Bond_Donor_Count	1
75605138	Hydrogen_Bond_Donor_Count	2
639391	Total_Formal_Charge	0
119307	Undefined_Bond_Stereo_Count	0
100933147	Mono_Isotopic_Weight	748.38813582
153427669	Isotope_Atom_Count	0
86890	Undefined_Atom_Stereo_Count	0
53322367	TPSA	57
70713	Molecular_Weight	85.10
20394920	Exact_Mass	115.063328530
29778	TPSA	80.7
257	Isotope_Atom_Count	0
42334	Defined_Atom_Stereo_Count	0
23681559	TPSA	72.8
70684820	Molecular_Weight	524.0
17963226	Covalent_Unit_Count	1
72187528	Defined_Bond_Stereo_Count	0
3042	Undefined_Atom_Stereo_Count	0
52948200	Defined_Atom_Stereo_Count	1
134	Hydrogen_Bond_Acceptor_Count	2
123979022	Covalent_Unit_Count	1
179512	Undefined_Bond_Stereo_Count	0
24473	Total_Formal_Charge	0
54608115	Isotope_Atom_Count	0
2817	Structure_Complexity	165
12428066	Hydrogen_Bond_Acceptor_Count	2
448903	Defined_Bond_Stereo_Count	0
11876	Structure_Complexity	199
70002683	Undefined_Bond_Stereo_Count	0
70991	Structure_Complexity	179
25132613	TPSA	77.9
11848	Isotope_Atom_Count	0
12217497	TPSA	17.1
907991	Covalent_Unit_Count	1
11396	Exact_Mass	156.093900383
1217	Non-hydrogen_Atom_Count	12
118459248	Covalent_Unit_Count	1
98527	XLogP3	2.1
3609	Tautomer_Count	27
54582513	Hydrogen_Bond_Acceptor_Count	2
176871	Structure_Complexity	525
34208	Defined_Bond_Stereo_Count	0
12040	Mono_Isotopic_Weight	116.120115130
16129632	Defined_Bond_Stereo_Count	0
7213685	Rotatable_Bond_Count	0
70696850	Rotatable_Bond_Count	6
34719	TPSA	29.5
126769	Hydrogen_Bond_Donor_Count	2
10704662	Covalent_Unit_Count	1
2777165	XLogP3-AA	0.5
728672	Rotatable_Bond_Count	3
133611945	Defined_Bond_Stereo_Count	1
30924	Defined_Bond_Stereo_Count	0
4740700	Isotope_Atom_Count	0
11852	Structure_Complexity	150
72573106	TPSA	58.3
6538985	Undefined_Bond_Stereo_Count	0
10162742	TPSA	103
33184	TPSA	41.1
3797915	Rotatable_Bond_Count	0
2779024	XLogP3-AA	0.7
75064	Mono_Isotopic_Weight	154.02660867
56666736	Defined_Atom_Stereo_Count	4
121755	Undefined_Bond_Stereo_Count	0
7280	Hydrogen_Bond_Acceptor_Count	0
20072996	Undefined_Bond_Stereo_Count	0
9854489	Mono_Isotopic_Weight	538.16369430
242493	Undefined_Bond_Stereo_Count	0
25144319	Hydrogen_Bond_Acceptor_Count	10
324	Isotope_Atom_Count	0
16217535	Hydrogen_Bond_Acceptor_Count	11
44349142	Hydrogen_Bond_Donor_Count	2
5484438	Covalent_Unit_Count	2
70106	TPSA	17.1
561193	XLogP3-AA	1.3
54587227	Isotope_Atom_Count	0
46907787	Undefined_Atom_Stereo_Count	0
21791633	Defined_Bond_Stereo_Count	0
58099153	Non-hydrogen_Atom_Count	8
3437714	Defined_Bond_Stereo_Count	0
21313738	Undefined_Atom_Stereo_Count	0
73759759	Isotope_Atom_Count	0
84440	Isotope_Atom_Count	0
3401849	Isotope_Atom_Count	0
6917698	Defined_Atom_Stereo_Count	2
54605723	Rotatable_Bond_Count	4
9543169	Hydrogen_Bond_Acceptor_Count	22
91339524	Molecular_Weight	96.13
45227	Isotope_Atom_Count	0
4133	Defined_Atom_Stereo_Count	0
22561495	Structure_Complexity	192
67108485	Defined_Bond_Stereo_Count	0
18200	XLogP3-AA	0.4
6834	Hydrogen_Bond_Acceptor_Count	2
6564	Hydrogen_Bond_Donor_Count	0
29124	Structure_Complexity	219
928	Structure_Complexity	1230
238053	TPSA	75.2
10937610	Covalent_Unit_Count	1
213049	Exact_Mass	465.13475634
66191	Hydrogen_Bond_Donor_Count	0
13176	Exact_Mass	92.062600255
431094	Exact_Mass	1197.605436
67634	TPSA	17.1
85299214	Covalent_Unit_Count	1
4113	Total_Formal_Charge	0
12449	Isotope_Atom_Count	0
53411707	Defined_Bond_Stereo_Count	0
129009962	Hydrogen_Bond_Acceptor_Count	28
434207	XLogP3-AA	3.4
129009927	Covalent_Unit_Count	1
75836	Mono_Isotopic_Weight	214.193280068
5462814	Hydrogen_Bond_Donor_Count	2
152943	Covalent_Unit_Count	3
2212	Exact_Mass	609.35263424
123161	Hydrogen_Bond_Acceptor_Count	0
69333614	Total_Formal_Charge	0
11412346	Mono_Isotopic_Weight	97.089149355
243313	Isotope_Atom_Count	0
10753311	Defined_Bond_Stereo_Count	0
110862	Structure_Complexity	66.9
69839	TPSA	9.2
39421	Structure_Complexity	569
139030531	XLogP3-AA	4.1
517326	Undefined_Atom_Stereo_Count	0
72568	Structure_Complexity	322
42725	TPSA	81.1
75796	Non-hydrogen_Atom_Count	28
44521023	XLogP3-AA	4.6
359	Covalent_Unit_Count	1
4619	Tautomer_Count	1
71778	Hydrogen_Bond_Donor_Count	1
44309990	Undefined_Atom_Stereo_Count	0
3033031	Isotope_Atom_Count	0
6426854	XLogP3-AA	6.6
162344865	Mono_Isotopic_Weight	532.21105539
441261	Structure_Complexity	615
26650	Mono_Isotopic_Weight	307.17835828
15817	Tautomer_Count	2
3081743	TPSA	62.3
121207552	Defined_Bond_Stereo_Count	0
162955685	Mono_Isotopic_Weight	342.11621151
14924483	Rotatable_Bond_Count	6
60196421	Rotatable_Bond_Count	17
12716156	Exact_Mass	104.062600255
973350	Hydrogen_Bond_Donor_Count	0
7263	Hydrogen_Bond_Donor_Count	2
60336	Structure_Complexity	205
83322	Molecular_Weight	392.2
71744109	Rotatable_Bond_Count	0
102004571	Structure_Complexity	914
118193	Total_Formal_Charge	0
66623496	Non-hydrogen_Atom_Count	8
9964065	Isotope_Atom_Count	0
91886115	Hydrogen_Bond_Acceptor_Count	5
141772581	Defined_Atom_Stereo_Count	0
3826	Hydrogen_Bond_Acceptor_Count	3
3068143	Hydrogen_Bond_Donor_Count	3
20194	Structure_Complexity	494
23574562	Hydrogen_Bond_Acceptor_Count	1
537236	Undefined_Bond_Stereo_Count	0
123894108	Exact_Mass	101.084063974
6539985	Isotope_Atom_Count	0
11126361	XLogP3-AA	0.5
2215480	TPSA	41.5
287071	Mono_Isotopic_Weight	111.068413911
24822135	Undefined_Bond_Stereo_Count	0
24802	TPSA	138
91707	Covalent_Unit_Count	1
16907	Rotatable_Bond_Count	2
39752	Tautomer_Count	2
71707	Mono_Isotopic_Weight	249.172878976
5280567	Undefined_Bond_Stereo_Count	0
6427991	Hydrogen_Bond_Acceptor_Count	2
87367	Exact_Mass	293.16584950
20055558	TPSA	153
22609888	Hydrogen_Bond_Donor_Count	0
527511	Molecular_Weight	109.17
24946980	Molecular_Weight	419.6
11195	Mono_Isotopic_Weight	153.924450
6419902	Rotatable_Bond_Count	11
9609	Hydrogen_Bond_Acceptor_Count	1
22015566	Mono_Isotopic_Weight	303.100776666
63255	Rotatable_Bond_Count	3
44563146	Mono_Isotopic_Weight	372.15101554
18484	Hydrogen_Bond_Acceptor_Count	4
11107	Mono_Isotopic_Weight	156.068748264
73801102	TPSA	46.2
25199807	Mono_Isotopic_Weight	264.034001
91908	Defined_Bond_Stereo_Count	0
75908	Undefined_Atom_Stereo_Count	0
169573	Undefined_Atom_Stereo_Count	0
68321947	Undefined_Atom_Stereo_Count	1
11565289	Covalent_Unit_Count	1
4262071	Non-hydrogen_Atom_Count	24
30107	Isotope_Atom_Count	0
12220	XLogP3	2.3
95496	Exact_Mass	195.02014356
53833568	Non-hydrogen_Atom_Count	8
124427926	Molecular_Weight	342.30
7896	Defined_Atom_Stereo_Count	0
3081364	Structure_Complexity	242
137349957	Molecular_Weight	885.4
82593533	Defined_Atom_Stereo_Count	0
4199	Covalent_Unit_Count	1
18312	Hydrogen_Bond_Acceptor_Count	0
5356789	XLogP3	7.6
11880	Rotatable_Bond_Count	1
135542454	Non-hydrogen_Atom_Count	25
90658992	Isotope_Atom_Count	0
136790	Rotatable_Bond_Count	3
126997316	Hydrogen_Bond_Acceptor_Count	2
123385	Defined_Atom_Stereo_Count	0
53930639	Defined_Bond_Stereo_Count	0
14919832	Structure_Complexity	85.6
6337677	Hydrogen_Bond_Acceptor_Count	7
5310979	TPSA	138
26175	Tautomer_Count	1
139920	Defined_Bond_Stereo_Count	0
874	Non-hydrogen_Atom_Count	9
409642	Structure_Complexity	349
14598502	Isotope_Atom_Count	0
3033988	Undefined_Atom_Stereo_Count	0
70048	Non-hydrogen_Atom_Count	19
8106	XLogP3	3.3
75358112	Rotatable_Bond_Count	6
251070	Tautomer_Count	1
87470	Defined_Atom_Stereo_Count	0
62656	Mono_Isotopic_Weight	125.90349
25131330	Hydrogen_Bond_Donor_Count	1
4317	Defined_Atom_Stereo_Count	0
22725651	Isotope_Atom_Count	0
71399	Exact_Mass	445.1404486
5284592	Exact_Mass	372.26644501
156320	Exact_Mass	343.1550360
12117	Non-hydrogen_Atom_Count	16
91411400	TPSA	59.2
6443013	Rotatable_Bond_Count	14
8275	Rotatable_Bond_Count	4
65924	Covalent_Unit_Count	1
12095999	Covalent_Unit_Count	1
131675085	Defined_Bond_Stereo_Count	0
24978514	TPSA	164
87452348	Total_Formal_Charge	0
636371	Rotatable_Bond_Count	9
23736	Defined_Bond_Stereo_Count	0
47471	Mono_Isotopic_Weight	473.013446
11051586	Rotatable_Bond_Count	2
3438	XLogP3	0.4
12375	Covalent_Unit_Count	1
57992175	Defined_Atom_Stereo_Count	0
403661	Defined_Atom_Stereo_Count	0
9025	TPSA	18.5
85266	Defined_Atom_Stereo_Count	0
53807546	Undefined_Atom_Stereo_Count	0
1246	Defined_Bond_Stereo_Count	0
5829	Isotope_Atom_Count	0
3641960	Defined_Bond_Stereo_Count	0
59899303	Non-hydrogen_Atom_Count	8
9518	Hydrogen_Bond_Donor_Count	0
10478142	XLogP3-AA	2.9
31353	Undefined_Atom_Stereo_Count	1
5479141	Total_Formal_Charge	0
22061626	Undefined_Bond_Stereo_Count	0
156963344	TPSA	85.2
93227	Molecular_Weight	269.2
15690	Isotope_Atom_Count	0
66932	Rotatable_Bond_Count	19
57394330	Mono_Isotopic_Weight	442.29439109
79142	Defined_Bond_Stereo_Count	0
123755	Molecular_Weight	376.3
520148	Hydrogen_Bond_Acceptor_Count	2
20874	Covalent_Unit_Count	1
69262172	TPSA	53
27686	Hydrogen_Bond_Acceptor_Count	11
12290	Mono_Isotopic_Weight	95.037113783
15516956	Covalent_Unit_Count	1
92850	Undefined_Bond_Stereo_Count	0
21634	Exact_Mass	207.162314293
3548422	Isotope_Atom_Count	0
159652940	Undefined_Atom_Stereo_Count	0
9813758	Undefined_Bond_Stereo_Count	0
64722	Hydrogen_Bond_Donor_Count	1
10001337	Rotatable_Bond_Count	3
37524	Mono_Isotopic_Weight	156.162648646
58750499	Defined_Atom_Stereo_Count	0
13743295	Hydrogen_Bond_Donor_Count	0
44593434	Rotatable_Bond_Count	4
31645	XLogP3	1.7
6788	Rotatable_Bond_Count	22
18503	Structure_Complexity	309
105035	Hydrogen_Bond_Acceptor_Count	3
31157	Rotatable_Bond_Count	1
14435951	XLogP3-AA	0.5
91753	TPSA	40.6
688691	Non-hydrogen_Atom_Count	12
31307	XLogP3	1.2
129829002	Structure_Complexity	212
637566	Non-hydrogen_Atom_Count	11
15853200	Covalent_Unit_Count	1
5107	Exact_Mass	458.23179083
22162	Defined_Atom_Stereo_Count	0
80788	Mono_Isotopic_Weight	453.926795
140377273	Defined_Bond_Stereo_Count	0
93002	Rotatable_Bond_Count	0
61534	Exact_Mass	91.940821
54580051	Structure_Complexity	654
102248333	Structure_Complexity	1280
146158974	Exact_Mass	402.1710204
6294	Undefined_Bond_Stereo_Count	0
160024	Defined_Atom_Stereo_Count	2
54350	Non-hydrogen_Atom_Count	27
86999	Defined_Bond_Stereo_Count	0
66545	Exact_Mass	238.04121336
398569	Mono_Isotopic_Weight	315.14705815
76968809	TPSA	130
22475863	Non-hydrogen_Atom_Count	7
12320138	Hydrogen_Bond_Acceptor_Count	2
76735	TPSA	139
54581	Undefined_Bond_Stereo_Count	0
67240514	Exact_Mass	96.032362755
68093	Non-hydrogen_Atom_Count	17
164282	Isotope_Atom_Count	0
135409836	Covalent_Unit_Count	1
9236	Isotope_Atom_Count	0
12735590	Exact_Mass	110.036779430
6921840	Defined_Atom_Stereo_Count	1
96886	Mono_Isotopic_Weight	181.06628286
10045495	Molecular_Weight	383.4
42602260	Defined_Bond_Stereo_Count	0
25166913	Rotatable_Bond_Count	3
453131	Exact_Mass	343.14197277
9809	Total_Formal_Charge	0
56673673	XLogP3	1
22530	Structure_Complexity	350
972505	Hydrogen_Bond_Acceptor_Count	6
4992033	Total_Formal_Charge	1
15074	Non-hydrogen_Atom_Count	9
124708040	Molecular_Weight	342.30
72665	Covalent_Unit_Count	1
24856	Molecular_Weight	258.21
21585117	Undefined_Atom_Stereo_Count	0
447835	Isotope_Atom_Count	0
5464317	Structure_Complexity	960
21718085	Exact_Mass	94.078250319
79323706	Covalent_Unit_Count	1
135972	Undefined_Bond_Stereo_Count	0
13001614	Defined_Bond_Stereo_Count	0
448653	Tautomer_Count	1
21701560	Mono_Isotopic_Weight	331.0723690
182677	Defined_Bond_Stereo_Count	0
5678496	Total_Formal_Charge	0
19235	TPSA	271
71388	Non-hydrogen_Atom_Count	20
14815788	Total_Formal_Charge	0
6113	Hydrogen_Bond_Donor_Count	0
40512	Undefined_Bond_Stereo_Count	0
69170	Undefined_Atom_Stereo_Count	0
76736	Tautomer_Count	1
56673678	Non-hydrogen_Atom_Count	25
53973376	Hydrogen_Bond_Donor_Count	1
62328	Rotatable_Bond_Count	4
6509808	Exact_Mass	515.19124889
5364509	Hydrogen_Bond_Donor_Count	0
5359367	Undefined_Bond_Stereo_Count	0
5702609	Exact_Mass	264.13615911
69332601	Covalent_Unit_Count	1
12281	Hydrogen_Bond_Donor_Count	1
19782023	Molecular_Weight	86.14
77676	Rotatable_Bond_Count	3
6604122	Non-hydrogen_Atom_Count	27
5008	Defined_Bond_Stereo_Count	0
448718	Hydrogen_Bond_Acceptor_Count	8
21118222	Defined_Atom_Stereo_Count	1
57123750	Non-hydrogen_Atom_Count	85
5423	Hydrogen_Bond_Donor_Count	2
3646	Undefined_Atom_Stereo_Count	0
11589453	Hydrogen_Bond_Donor_Count	1
118975693	TPSA	29.1
164511668	Molecular_Weight	230.22
97698	Hydrogen_Bond_Donor_Count	0
67548	TPSA	20.2
19549	TPSA	38.3
86248095	XLogP3-AA	0.7
5232201	Isotope_Atom_Count	0
11355992	Non-hydrogen_Atom_Count	13
15953	Hydrogen_Bond_Donor_Count	0
135509079	Undefined_Bond_Stereo_Count	0
57401205	Undefined_Atom_Stereo_Count	1
446378	Tautomer_Count	1
23625548	Defined_Bond_Stereo_Count	1
68901489	Non-hydrogen_Atom_Count	8
46244173	Covalent_Unit_Count	1
46205733	Non-hydrogen_Atom_Count	42
580566	Isotope_Atom_Count	0
21809327	Isotope_Atom_Count	0
67258704	TPSA	35.3
6058	Defined_Bond_Stereo_Count	0
854150	Isotope_Atom_Count	0
445575	Hydrogen_Bond_Acceptor_Count	3
1047	Rotatable_Bond_Count	1
12309465	Exact_Mass	405.813931
638070	Isotope_Atom_Count	0
17852300	Hydrogen_Bond_Acceptor_Count	2
8048	Isotope_Atom_Count	0
11392	Covalent_Unit_Count	1
208952	Exact_Mass	431.0960588
70034662	Hydrogen_Bond_Acceptor_Count	1
11261	Structure_Complexity	43.4
7120	Hydrogen_Bond_Donor_Count	1
96651	Defined_Bond_Stereo_Count	0
52941462	Hydrogen_Bond_Donor_Count	1
12697524	Molecular_Weight	370.4
10217	Structure_Complexity	538
91971505	Defined_Atom_Stereo_Count	7
266742	Molecular_Weight	152.19
71295848	Exact_Mass	201.95763530
304016	Structure_Complexity	177
12338288	Molecular_Weight	112.17
126	TPSA	37.3
14944610	Mono_Isotopic_Weight	120.078644241
10857465	Hydrogen_Bond_Acceptor_Count	1
25608	Isotope_Atom_Count	0
41043	Exact_Mass	190.04121336
80108978	Undefined_Bond_Stereo_Count	0
17078	Mono_Isotopic_Weight	263.87854
755686	Non-hydrogen_Atom_Count	17
11375816	Defined_Bond_Stereo_Count	0
642799	Hydrogen_Bond_Donor_Count	0
762556	Undefined_Atom_Stereo_Count	0
132327702	Undefined_Atom_Stereo_Count	1
38883	Covalent_Unit_Count	1
91601	Rotatable_Bond_Count	12
44472635	Structure_Complexity	782
10926	Undefined_Bond_Stereo_Count	0
574808	Isotope_Atom_Count	0
12020	Rotatable_Bond_Count	2
519559	Tautomer_Count	2
25014844	Molecular_Weight	476.6
12713	Isotope_Atom_Count	0
165675	Covalent_Unit_Count	1
3141	TPSA	72.7
24005	TPSA	20.2
15020	Undefined_Atom_Stereo_Count	0
89206022	Mono_Isotopic_Weight	904.44565070
33514	Defined_Bond_Stereo_Count	0
292	TPSA	301
11219835	TPSA	76.2
919792	Total_Formal_Charge	0
135814155	Undefined_Bond_Stereo_Count	0
24737642	Hydrogen_Bond_Acceptor_Count	7
6723	Rotatable_Bond_Count	2
45267632	Covalent_Unit_Count	1
40579125	Hydrogen_Bond_Donor_Count	0
647840	Exact_Mass	337.12602622
44577843	Covalent_Unit_Count	1
723	Covalent_Unit_Count	1
123223	Hydrogen_Bond_Donor_Count	0
1242943	Isotope_Atom_Count	0
27135	Hydrogen_Bond_Acceptor_Count	3
11111	TPSA	148
88784945	Defined_Atom_Stereo_Count	0
148931546	Mono_Isotopic_Weight	1201.84136802
91026652	Isotope_Atom_Count	0
2656	Non-hydrogen_Atom_Count	36
86422	Tautomer_Count	1
14671256	Rotatable_Bond_Count	4
62739	TPSA	65.7
5365811	Defined_Atom_Stereo_Count	0
20136205	Exact_Mass	118.099379685
10813654	Hydrogen_Bond_Acceptor_Count	10
73386890	Defined_Atom_Stereo_Count	0
7566944	Exact_Mass	342.11621151
735319	Rotatable_Bond_Count	1
4993	Undefined_Atom_Stereo_Count	0
123597	Rotatable_Bond_Count	13
192843	Covalent_Unit_Count	1
3392178	Isotope_Atom_Count	0
519793	Isotope_Atom_Count	0
71116366	Mono_Isotopic_Weight	574.17985270
6321405	Defined_Bond_Stereo_Count	0
25229	Exact_Mass	1253.5549
768	Exact_Mass	27.010899036
21487318	Total_Formal_Charge	0
5230726	Defined_Atom_Stereo_Count	0
184822	Tautomer_Count	2
25608	Tautomer_Count	1
14017	Isotope_Atom_Count	0
6566	Hydrogen_Bond_Acceptor_Count	1
119069	Defined_Bond_Stereo_Count	0
69845	Molecular_Weight	151.19
13739752	Undefined_Bond_Stereo_Count	0
65275	Non-hydrogen_Atom_Count	12
444234	TPSA	29.9
21843641	Isotope_Atom_Count	0
9794126	Undefined_Atom_Stereo_Count	0
2762887	Exact_Mass	113.027691913
3798	Exact_Mass	281.116426730
12074440	Hydrogen_Bond_Acceptor_Count	2
94811	Covalent_Unit_Count	1
3195	Defined_Atom_Stereo_Count	0
10987348	TPSA	0
12730529	Mono_Isotopic_Weight	156.078644241
10026	Defined_Atom_Stereo_Count	0
11662332	Rotatable_Bond_Count	8
2763	Undefined_Bond_Stereo_Count	0
91415017	Hydrogen_Bond_Donor_Count	2
63546	Total_Formal_Charge	0
11543	Undefined_Bond_Stereo_Count	0
9863552	Non-hydrogen_Atom_Count	26
2764407	Total_Formal_Charge	0
49865495	Exact_Mass	305.116426730
2736145	Hydrogen_Bond_Donor_Count	1
164877	Isotope_Atom_Count	0
99940264	Defined_Atom_Stereo_Count	10
13284157	Non-hydrogen_Atom_Count	8
21889167	Mono_Isotopic_Weight	161.06880783
6604796	Hydrogen_Bond_Acceptor_Count	4
10130120	Defined_Bond_Stereo_Count	0
13536814	Tautomer_Count	1
122316	Total_Formal_Charge	0
67108333	Isotope_Atom_Count	0
5353959	Mono_Isotopic_Weight	842.51400504
79224	Molecular_Weight	216.03
22015773	Exact_Mass	144.068748264
68432538	Undefined_Bond_Stereo_Count	1
21696748	Hydrogen_Bond_Donor_Count	1
89399997	Non-hydrogen_Atom_Count	8
151318	Mono_Isotopic_Weight	294.99747
8172	Undefined_Atom_Stereo_Count	0
53810451	Hydrogen_Bond_Donor_Count	0
136305612	Mono_Isotopic_Weight	110.059246208
61293	Non-hydrogen_Atom_Count	11
7336	Total_Formal_Charge	0
70545463	Non-hydrogen_Atom_Count	7
6433090	Molecular_Weight	319.4
60196374	Hydrogen_Bond_Acceptor_Count	2
40467895	Mono_Isotopic_Weight	610.13631276
7487	TPSA	62.9
90863456	XLogP3-AA	2.8
24763199	Mono_Isotopic_Weight	379.0854322
594	Hydrogen_Bond_Acceptor_Count	4
11633904	Hydrogen_Bond_Donor_Count	1
96373	Rotatable_Bond_Count	2
5263	Hydrogen_Bond_Donor_Count	2
44946	Defined_Bond_Stereo_Count	0
5102882	Rotatable_Bond_Count	1
51047	Isotope_Atom_Count	0
10240797	Structure_Complexity	88.5
13889162	Defined_Bond_Stereo_Count	0
10767	TPSA	29.5
70235	Total_Formal_Charge	0
14923671	Structure_Complexity	94.6
54003766	Isotope_Atom_Count	0
139356	Hydrogen_Bond_Acceptor_Count	11
66827	Molecular_Weight	121.93
2723704	Hydrogen_Bond_Acceptor_Count	1
16907	Total_Formal_Charge	0
447945	Defined_Atom_Stereo_Count	1
136705145	Rotatable_Bond_Count	5
5188	Covalent_Unit_Count	1
2734411	Molecular_Weight	787.4
8005	Undefined_Bond_Stereo_Count	0
6125	Exact_Mass	133.95919704
227260	Tautomer_Count	5
91538	Rotatable_Bond_Count	1
16129620	TPSA	1470
10888022	Tautomer_Count	1
2770166	Non-hydrogen_Atom_Count	8
3683036	Molecular_Weight	169.16
3151	Rotatable_Bond_Count	5
9254	Hydrogen_Bond_Acceptor_Count	2
3609	Hydrogen_Bond_Donor_Count	8
850873	Defined_Atom_Stereo_Count	0
664419	Mono_Isotopic_Weight	340.1090889
10496498	Hydrogen_Bond_Donor_Count	0
34458	Defined_Bond_Stereo_Count	0
3512	Tautomer_Count	2
13062961	Hydrogen_Bond_Acceptor_Count	2
144915389	Rotatable_Bond_Count	0
136212897	Isotope_Atom_Count	0
64883	Undefined_Bond_Stereo_Count	0
4224	Covalent_Unit_Count	1
53734710	Undefined_Bond_Stereo_Count	0
153270	XLogP3-AA	0.9
6434144	Hydrogen_Bond_Acceptor_Count	8
561780	XLogP3-AA	2.5
86287517	Defined_Bond_Stereo_Count	0
19735771	Exact_Mass	112.063662883
115011064	Exact_Mass	114.068079557
91027156	Covalent_Unit_Count	1
129794341	Undefined_Bond_Stereo_Count	0
8285	Non-hydrogen_Atom_Count	9
123628	Structure_Complexity	369
22049997	Mono_Isotopic_Weight	476.05471
91053206	Hydrogen_Bond_Donor_Count	5
69488026	TPSA	43.3
59999517	Isotope_Atom_Count	0
73433376	Isotope_Atom_Count	0
39617	Covalent_Unit_Count	1
135565082	Defined_Atom_Stereo_Count	2
2300	TPSA	51.1
7371	Total_Formal_Charge	0
60196274	Molecular_Weight	344.8
16666	Covalent_Unit_Count	1
15448870	TPSA	0
14388559	Rotatable_Bond_Count	1
163798512	Hydrogen_Bond_Donor_Count	7
9821217	Tautomer_Count	1
7099	Defined_Bond_Stereo_Count	0
274426	Undefined_Atom_Stereo_Count	4
134754219	Covalent_Unit_Count	1
6252	Structure_Complexity	383
55290981	Structure_Complexity	121
23657874	Defined_Atom_Stereo_Count	0
75322	Defined_Atom_Stereo_Count	0
664136	Defined_Bond_Stereo_Count	0
45266826	Defined_Atom_Stereo_Count	0
135911835	Isotope_Atom_Count	0
122442248	Defined_Atom_Stereo_Count	0
129864651	Total_Formal_Charge	0
7817	Hydrogen_Bond_Donor_Count	2
9885850	Structure_Complexity	552
3082221	Hydrogen_Bond_Acceptor_Count	5
11519069	Exact_Mass	507.17729
5311035	Covalent_Unit_Count	1
64709	Structure_Complexity	905
71457269	Hydrogen_Bond_Donor_Count	2
87898	TPSA	125
75834	Structure_Complexity	228
81561	Undefined_Bond_Stereo_Count	0
7949	Hydrogen_Bond_Donor_Count	1
23369154	Total_Formal_Charge	0
135522261	Covalent_Unit_Count	1
28693	Undefined_Atom_Stereo_Count	0
23581832	Total_Formal_Charge	1
11968014	Isotope_Atom_Count	0
129840260	Undefined_Bond_Stereo_Count	0
10341154	Defined_Atom_Stereo_Count	0
38360	Structure_Complexity	130
10476254	Total_Formal_Charge	0
887824	XLogP3-AA	2.4
107282	Covalent_Unit_Count	1
40854	Undefined_Atom_Stereo_Count	1
86322	Tautomer_Count	9
312145	Non-hydrogen_Atom_Count	31
2092	Defined_Bond_Stereo_Count	0
9917	Undefined_Atom_Stereo_Count	0
184819	Defined_Bond_Stereo_Count	0
34515	Tautomer_Count	2
137673	Rotatable_Bond_Count	4
60150204	Undefined_Bond_Stereo_Count	0
5154	Covalent_Unit_Count	1
54761	Rotatable_Bond_Count	9
3480590	Defined_Bond_Stereo_Count	0
17881	Non-hydrogen_Atom_Count	44
56857	Undefined_Atom_Stereo_Count	0
132278564	Hydrogen_Bond_Acceptor_Count	7
75931	Undefined_Atom_Stereo_Count	0
87823	Defined_Bond_Stereo_Count	0
7252	Covalent_Unit_Count	1
10047003	Structure_Complexity	533
139670117	XLogP3-AA	0.9
84602	Molecular_Weight	596.5
293676	TPSA	21.6
25227436	Hydrogen_Bond_Acceptor_Count	6
35754	Mono_Isotopic_Weight	281.08506629
54207973	Defined_Atom_Stereo_Count	0
40605	Exact_Mass	293.01535022
83346	Defined_Bond_Stereo_Count	0
123570	Defined_Bond_Stereo_Count	0
40361	Rotatable_Bond_Count	5
3036864	Hydrogen_Bond_Donor_Count	1
50293	Hydrogen_Bond_Acceptor_Count	1
67556876	Total_Formal_Charge	0
21703153	Undefined_Bond_Stereo_Count	0
12323	XLogP3-AA	2
129456	Undefined_Atom_Stereo_Count	2
81226	Defined_Atom_Stereo_Count	0
9860946	Structure_Complexity	414
656598	XLogP3	1.8
517063	Structure_Complexity	122
11045	XLogP3-AA	0.2
796857	Rotatable_Bond_Count	2
46203882	Rotatable_Bond_Count	1
445501	Total_Formal_Charge	0
16249	Exact_Mass	144.04225873
48918	Undefined_Atom_Stereo_Count	0
31343	Undefined_Atom_Stereo_Count	1
71345	Non-hydrogen_Atom_Count	27
82917	Isotope_Atom_Count	0
201874	TPSA	44.1
11333	Mono_Isotopic_Weight	342.11621151
92922	Undefined_Atom_Stereo_Count	0
134735	Hydrogen_Bond_Donor_Count	0
10560335	Structure_Complexity	152
54422686	Undefined_Bond_Stereo_Count	0
100915014	Isotope_Atom_Count	0
132549482	Undefined_Bond_Stereo_Count	0
98324	Undefined_Atom_Stereo_Count	1
8129	Molecular_Weight	116.20
70308	Defined_Atom_Stereo_Count	0
20113	Tautomer_Count	1
529389	Covalent_Unit_Count	1
19073879	Total_Formal_Charge	0
54685920	Exact_Mass	480.1299435
57370084	Undefined_Bond_Stereo_Count	0
57031137	Rotatable_Bond_Count	0
2596914	Mono_Isotopic_Weight	372.11437830
92258	Defined_Bond_Stereo_Count	0
12561739	Non-hydrogen_Atom_Count	10
10347891	Undefined_Bond_Stereo_Count	0
5311398	Isotope_Atom_Count	0
89374436	Rotatable_Bond_Count	0
10774305	Isotope_Atom_Count	0
14184222	Rotatable_Bond_Count	2
6993205	Exact_Mass	304.04603776
27944	Defined_Atom_Stereo_Count	1
5311211	XLogP3-AA	5
521993	XLogP3-AA	0.5
657298	Defined_Bond_Stereo_Count	0
11813918	Hydrogen_Bond_Donor_Count	9
137616	Defined_Bond_Stereo_Count	0
2106909	Rotatable_Bond_Count	2
159736	Total_Formal_Charge	0
197839	Covalent_Unit_Count	1
24752885	Exact_Mass	270.18310931
10458325	Mono_Isotopic_Weight	490.1338596
5284476	Structure_Complexity	243
5317319	Defined_Bond_Stereo_Count	1
5280863	Defined_Atom_Stereo_Count	0
12717	Undefined_Bond_Stereo_Count	0
443154	TPSA	196
21519427	Non-hydrogen_Atom_Count	8
91612119	Mono_Isotopic_Weight	114.068079557
5311283	Rotatable_Bond_Count	9
23960	Non-hydrogen_Atom_Count	1
123676075	Rotatable_Bond_Count	1
478809	Covalent_Unit_Count	1
6416	Mono_Isotopic_Weight	100.088815002
5034	Exact_Mass	520.79460
7832	Hydrogen_Bond_Donor_Count	0
4454	Rotatable_Bond_Count	9
427786	Exact_Mass	258.136827821
93798	Molecular_Weight	475.3
67444	Undefined_Atom_Stereo_Count	0
14445624	Total_Formal_Charge	0
132277953	Isotope_Atom_Count	0
135539077	Rotatable_Bond_Count	7
109318	Isotope_Atom_Count	0
3979	XLogP3-AA	6.2
53315139	Covalent_Unit_Count	1
162014	Hydrogen_Bond_Donor_Count	3
104741	Undefined_Atom_Stereo_Count	1
26445	Non-hydrogen_Atom_Count	8
136505	Mono_Isotopic_Weight	102.068079557
10058531	Rotatable_Bond_Count	4
86233	Exact_Mass	317.1294900
126968498	Molecular_Weight	835.1
3003141	Molecular_Weight	354.3
6535	Covalent_Unit_Count	1
129800396	Hydrogen_Bond_Acceptor_Count	3
87100666	Defined_Bond_Stereo_Count	0
18406174	Hydrogen_Bond_Acceptor_Count	2
5281235	Exact_Mass	552.433116406
53441735	Undefined_Bond_Stereo_Count	0
44205191	Mono_Isotopic_Weight	308.12846858
206876	Hydrogen_Bond_Donor_Count	1
5283739	Undefined_Atom_Stereo_Count	0
6042	Mono_Isotopic_Weight	300.0811600
814155	Rotatable_Bond_Count	5
101707	Non-hydrogen_Atom_Count	18
6326975	Defined_Bond_Stereo_Count	0
71809	Mono_Isotopic_Weight	403.20859
94972	Rotatable_Bond_Count	3
56675696	Exact_Mass	422.12127520
11658655	Rotatable_Bond_Count	1
162883447	Defined_Bond_Stereo_Count	0
53581	Defined_Atom_Stereo_Count	1
306131	Covalent_Unit_Count	1
9690105	Rotatable_Bond_Count	8
88482362	Molecular_Weight	108.09
56627	Molecular_Weight	510.3
18218196	Hydrogen_Bond_Acceptor_Count	6
71296943	Undefined_Bond_Stereo_Count	1
194	Undefined_Bond_Stereo_Count	0
5786	Isotope_Atom_Count	0
16070030	Undefined_Bond_Stereo_Count	0
57406717	Non-hydrogen_Atom_Count	33
44310254	Total_Formal_Charge	0
35075	Structure_Complexity	187
26975	Exact_Mass	164.120115130
59066	Undefined_Bond_Stereo_Count	0
11243969	Hydrogen_Bond_Acceptor_Count	4
12928049	Undefined_Bond_Stereo_Count	0
135409409	Covalent_Unit_Count	1
708857	Covalent_Unit_Count	1
8027	Rotatable_Bond_Count	0
93074	Hydrogen_Bond_Donor_Count	1
64232	Defined_Bond_Stereo_Count	0
166450901	Defined_Atom_Stereo_Count	4
10685477	Isotope_Atom_Count	0
23003869	Hydrogen_Bond_Donor_Count	0
101815861	TPSA	59.5
71160	Molecular_Weight	258.35
15774823	Undefined_Bond_Stereo_Count	0
5095	Exact_Mass	260.188863393
70977832	Undefined_Atom_Stereo_Count	4
20275	Mono_Isotopic_Weight	254.05315
59630744	TPSA	0
22468	TPSA	0
72199539	Hydrogen_Bond_Acceptor_Count	6
138539	Non-hydrogen_Atom_Count	7
30843	Covalent_Unit_Count	1
23694214	Rotatable_Bond_Count	7
14786268	Undefined_Atom_Stereo_Count	0
23103323	Defined_Bond_Stereo_Count	0
3884	Isotope_Atom_Count	0
10435916	Non-hydrogen_Atom_Count	35
6450173	Hydrogen_Bond_Donor_Count	3
6905	Defined_Bond_Stereo_Count	0
97665	Hydrogen_Bond_Donor_Count	2
123600	Non-hydrogen_Atom_Count	17
91864465	TPSA	63.6
14964443	Non-hydrogen_Atom_Count	7
88922160	Defined_Atom_Stereo_Count	12
606817	Defined_Bond_Stereo_Count	0
12185	Non-hydrogen_Atom_Count	7
16202184	Mono_Isotopic_Weight	384.15976871
54151808	Total_Formal_Charge	0
877	Defined_Bond_Stereo_Count	0
41980	Structure_Complexity	296
162944617	Exact_Mass	904.44565070
99922	Rotatable_Bond_Count	3
14392758	Mono_Isotopic_Weight	344.23514488
1235	Total_Formal_Charge	0
568445	Defined_Atom_Stereo_Count	0
58028426	Defined_Atom_Stereo_Count	0
2997	XLogP3	2.9
5284468	Undefined_Bond_Stereo_Count	0
141427445	Structure_Complexity	147
21453	Defined_Atom_Stereo_Count	0
91177201	Total_Formal_Charge	0
21610771	Hydrogen_Bond_Donor_Count	1
73162904	Defined_Bond_Stereo_Count	0
88800	Undefined_Atom_Stereo_Count	0
159563	Total_Formal_Charge	0
163872483	Undefined_Bond_Stereo_Count	0
9846588	Hydrogen_Bond_Acceptor_Count	8
68529525	Exact_Mass	102.068079557
69100	Hydrogen_Bond_Acceptor_Count	2
444182	Covalent_Unit_Count	1
92174	Total_Formal_Charge	0
305560	TPSA	41.6
62479	Total_Formal_Charge	0
90891909	Hydrogen_Bond_Acceptor_Count	1
6590	Covalent_Unit_Count	1
102004571	Covalent_Unit_Count	1
23653584	Isotope_Atom_Count	0
6321330	Hydrogen_Bond_Acceptor_Count	6
149229	Structure_Complexity	130
136511	Molecular_Weight	108.14
76619	Hydrogen_Bond_Acceptor_Count	2
37020	Total_Formal_Charge	0
36034	Hydrogen_Bond_Acceptor_Count	3
19077501	Molecular_Weight	390.8
85705001	Defined_Atom_Stereo_Count	0
7292	Exact_Mass	87.068413911
23465004	XLogP3-AA	0.5
11697219	Rotatable_Bond_Count	7
22967022	Hydrogen_Bond_Acceptor_Count	2
85944292	Hydrogen_Bond_Acceptor_Count	1
135422442	Defined_Bond_Stereo_Count	0
45830	Total_Formal_Charge	0
71267	Undefined_Atom_Stereo_Count	0
3951	Defined_Atom_Stereo_Count	0
69342090	Total_Formal_Charge	0
5760	Undefined_Bond_Stereo_Count	0
71680844	TPSA	91.2
347477	Non-hydrogen_Atom_Count	8
5748361	Rotatable_Bond_Count	9
86821	Molecular_Weight	414.7
5877	Defined_Bond_Stereo_Count	0
520769	Mono_Isotopic_Weight	112.01359920
3024	Hydrogen_Bond_Donor_Count	0
53967	Covalent_Unit_Count	1
551434	Hydrogen_Bond_Donor_Count	1
723025	Exact_Mass	282.14806121
17930361	Mono_Isotopic_Weight	112.125200510
105426931	Rotatable_Bond_Count	0
71306319	TPSA	452
68809	Tautomer_Count	1
21246587	Undefined_Bond_Stereo_Count	0
64423	Non-hydrogen_Atom_Count	22
5352771	Rotatable_Bond_Count	11
18430688	Exact_Mass	108.057514874
19994812	Total_Formal_Charge	0
6321424	Rotatable_Bond_Count	8
443380	Mono_Isotopic_Weight	399.22570239
74859	Undefined_Atom_Stereo_Count	0
26330	Defined_Bond_Stereo_Count	0
52931497	Defined_Atom_Stereo_Count	10
146571	Isotope_Atom_Count	0
134687781	Structure_Complexity	1480
12222	Mono_Isotopic_Weight	54.010564683
8481	Covalent_Unit_Count	1
4017	Undefined_Bond_Stereo_Count	0
1169	Non-hydrogen_Atom_Count	44
11388294	TPSA	26.3
13925935	Undefined_Bond_Stereo_Count	0
5281643	TPSA	207
10219384	Non-hydrogen_Atom_Count	5
322968	Mono_Isotopic_Weight	185.10519334
9465	Defined_Bond_Stereo_Count	0
25164108	Total_Formal_Charge	0
10435654	Hydrogen_Bond_Acceptor_Count	3
11389	Covalent_Unit_Count	1
35775	Molecular_Weight	286.30
10039774	XLogP3	3
3202	Undefined_Bond_Stereo_Count	0
358067	Rotatable_Bond_Count	0
14803	Defined_Bond_Stereo_Count	0
24900751	Non-hydrogen_Atom_Count	35
5332	Structure_Complexity	376
12052005	Exact_Mass	303.14705815
4184	Exact_Mass	264.162648646
24728612	Molecular_Weight	776.6
47750	Undefined_Atom_Stereo_Count	0
19999	Structure_Complexity	34.6
59058905	Molecular_Weight	112.09
68511084	Isotope_Atom_Count	0
10245190	XLogP3-AA	4.5
12178	Non-hydrogen_Atom_Count	7
1548953	Covalent_Unit_Count	1
68956	Defined_Atom_Stereo_Count	0
12243	Non-hydrogen_Atom_Count	6
1967	TPSA	54.4
2227	Rotatable_Bond_Count	5
638019	Undefined_Atom_Stereo_Count	0
2145	XLogP3	1.2
10964334	Hydrogen_Bond_Donor_Count	8
11716665	Hydrogen_Bond_Donor_Count	1
162895062	Rotatable_Bond_Count	3
7875	Tautomer_Count	1
71470	Exact_Mass	518.26798174
10239891	Covalent_Unit_Count	1
80782	Molecular_Weight	171.62
19471	Defined_Atom_Stereo_Count	0
6620134	TPSA	94.8
479930	Non-hydrogen_Atom_Count	31
408536	Structure_Complexity	500
10032582	Covalent_Unit_Count	1
107400	Total_Formal_Charge	0
51082	Undefined_Atom_Stereo_Count	0
23663412	Structure_Complexity	819
15385	Molecular_Weight	163.02
87833	Covalent_Unit_Count	1
5280880	Covalent_Unit_Count	1
32091	Defined_Bond_Stereo_Count	0
94932	Hydrogen_Bond_Donor_Count	2
71743826	Exact_Mass	112.088815002
79998	Tautomer_Count	1
9816483	Hydrogen_Bond_Acceptor_Count	3
9141	Defined_Bond_Stereo_Count	0
60195811	Undefined_Bond_Stereo_Count	0
18622364	Hydrogen_Bond_Acceptor_Count	3
23724874	TPSA	125
107977	Isotope_Atom_Count	0
25715	Covalent_Unit_Count	2
118193	Molecular_Weight	128.21
58024825	Covalent_Unit_Count	1
92722	Hydrogen_Bond_Donor_Count	5
528166	Exact_Mass	94.078250319
214321	Non-hydrogen_Atom_Count	14
45934481	Undefined_Bond_Stereo_Count	0
6436041	Covalent_Unit_Count	1
186003	Mono_Isotopic_Weight	103.042199164
16682804	Undefined_Atom_Stereo_Count	0
8284	Defined_Bond_Stereo_Count	0
123162	Hydrogen_Bond_Donor_Count	0
1211493	Covalent_Unit_Count	1
68938028	TPSA	53
22675	XLogP3-AA	4.1
795875	Non-hydrogen_Atom_Count	20
223464	Defined_Bond_Stereo_Count	0
12664700	Isotope_Atom_Count	0
41867	Rotatable_Bond_Count	5
40926	Total_Formal_Charge	0
146157955	Mono_Isotopic_Weight	867.49802062
18947655	Defined_Bond_Stereo_Count	0
7156	XLogP3	1.7
71905	Non-hydrogen_Atom_Count	19
79828	Exact_Mass	157.93523489
12289998	Non-hydrogen_Atom_Count	8
14371531	Total_Formal_Charge	0
15805	Exact_Mass	461.2121570
12315	Covalent_Unit_Count	1
90937445	TPSA	240
196604	Defined_Bond_Stereo_Count	0
173	Exact_Mass	187.12084340
53315818	Hydrogen_Bond_Acceptor_Count	3
6064	Hydrogen_Bond_Donor_Count	2
90693263	XLogP3-AA	1.8
6034084	Mono_Isotopic_Weight	230.12665706
25142699	Covalent_Unit_Count	1
6909	Covalent_Unit_Count	1
903755	Defined_Bond_Stereo_Count	0
161166	Hydrogen_Bond_Donor_Count	3
9568700	Hydrogen_Bond_Acceptor_Count	5
219625	Non-hydrogen_Atom_Count	8
23671932	Defined_Bond_Stereo_Count	0
2689	Rotatable_Bond_Count	1
69341269	Non-hydrogen_Atom_Count	8
375912	Defined_Bond_Stereo_Count	0
45806	Rotatable_Bond_Count	8
44560807	Total_Formal_Charge	0
441141	Covalent_Unit_Count	1
3839223	Defined_Bond_Stereo_Count	0
51918	Structure_Complexity	153
521	TPSA	409
18459757	Hydrogen_Bond_Acceptor_Count	2
49243	Covalent_Unit_Count	1
62466	Tautomer_Count	2
88534961	Covalent_Unit_Count	1
85988	Mono_Isotopic_Weight	172.08479225
364704	Structure_Complexity	435
85542272	Rotatable_Bond_Count	2
13586830	Covalent_Unit_Count	1
35136	Rotatable_Bond_Count	1
133640201	Tautomer_Count	1
101614363	Structure_Complexity	366
160205454	Exact_Mass	284.16237386
317505	Hydrogen_Bond_Acceptor_Count	2
636750	Hydrogen_Bond_Acceptor_Count	3
65701	Defined_Atom_Stereo_Count	0
58158	Undefined_Atom_Stereo_Count	1
68553	Undefined_Bond_Stereo_Count	0
129826870	Defined_Bond_Stereo_Count	0
87635503	XLogP3-AA	0.6
25314	Covalent_Unit_Count	2
19077501	Non-hydrogen_Atom_Count	27
24228	Exact_Mass	289.07389321
13082758	Defined_Atom_Stereo_Count	0
74572	Defined_Atom_Stereo_Count	0
173604	Tautomer_Count	1
188206	Defined_Bond_Stereo_Count	0
339496	Undefined_Bond_Stereo_Count	0
2051	Exact_Mass	315.0774544
6440459	Total_Formal_Charge	0
395450	Rotatable_Bond_Count	5
3034319	Rotatable_Bond_Count	1
825877	Non-hydrogen_Atom_Count	15
6858006	Undefined_Bond_Stereo_Count	0
18641	Hydrogen_Bond_Acceptor_Count	4
86834	Isotope_Atom_Count	0
65836	Isotope_Atom_Count	0
6092	Tautomer_Count	1
119489	Rotatable_Bond_Count	2
101526	Structure_Complexity	727
23555879	Undefined_Bond_Stereo_Count	0
2394	Exact_Mass	1156.40524244
55399	Mono_Isotopic_Weight	622.34788321
51644315	Hydrogen_Bond_Donor_Count	1
11510	Hydrogen_Bond_Acceptor_Count	3
12967	TPSA	75.8
11480401	Defined_Bond_Stereo_Count	0
921599	TPSA	48.1
4698	Exact_Mass	361.13477939
71541289	Defined_Bond_Stereo_Count	0
4688	Molecular_Weight	159.23
3798	Rotatable_Bond_Count	4
19283	Non-hydrogen_Atom_Count	34
630635	Hydrogen_Bond_Donor_Count	0
499988	Hydrogen_Bond_Donor_Count	2
31310	Molecular_Weight	692.8
11188898	Molecular_Weight	404.5
136965670	Hydrogen_Bond_Donor_Count	15
88008	Hydrogen_Bond_Acceptor_Count	8
145731381	Rotatable_Bond_Count	13
70692035	Defined_Bond_Stereo_Count	0
80434	Undefined_Atom_Stereo_Count	0
49866025	Defined_Atom_Stereo_Count	2
12150354	Structure_Complexity	46.8
12648080	TPSA	39.4
101663894	Structure_Complexity	811
6178111	Undefined_Bond_Stereo_Count	0
13590	Covalent_Unit_Count	1
573467	Covalent_Unit_Count	1
19390240	Rotatable_Bond_Count	3
60452	Molecular_Weight	338.4
2487	Undefined_Atom_Stereo_Count	3
13849	Total_Formal_Charge	0
86260	Molecular_Weight	376.9
2106900	Structure_Complexity	72.9
89100	Defined_Atom_Stereo_Count	0
156592059	Total_Formal_Charge	0
4570	Hydrogen_Bond_Acceptor_Count	12
44462985	Hydrogen_Bond_Acceptor_Count	0
194953	Mono_Isotopic_Weight	202.09535693
57992030	Undefined_Atom_Stereo_Count	0
5363527	Total_Formal_Charge	0
5767	Molecular_Weight	376.5
16048558	TPSA	35.5
9963430	Covalent_Unit_Count	1
24144	Molecular_Weight	388.5
130250598	Total_Formal_Charge	0
5361462	Tautomer_Count	2
71225	Defined_Atom_Stereo_Count	0
11215	Hydrogen_Bond_Acceptor_Count	0
90713931	Structure_Complexity	2330
659218	Structure_Complexity	315
7150	Hydrogen_Bond_Acceptor_Count	2
11093	Defined_Bond_Stereo_Count	0
151348	Defined_Atom_Stereo_Count	0
12634655	Exact_Mass	94.078250319
135981362	Exact_Mass	410.18417193
48346	Exact_Mass	225.1284273
136490	Exact_Mass	96.057514874
494023	Hydrogen_Bond_Donor_Count	8
102513886	TPSA	50
76337	Non-hydrogen_Atom_Count	9
59771	Defined_Atom_Stereo_Count	0
12299881	Covalent_Unit_Count	1
4175	XLogP3	5.2
133119158	Undefined_Atom_Stereo_Count	0
5282706	Non-hydrogen_Atom_Count	7
9910975	Isotope_Atom_Count	0
422052	Undefined_Bond_Stereo_Count	0
18985	Total_Formal_Charge	0
5367460	Undefined_Bond_Stereo_Count	0
6151	Hydrogen_Bond_Acceptor_Count	4
2887	Covalent_Unit_Count	1
21719984	Mono_Isotopic_Weight	116.083729621
134976	Exact_Mass	222.08920892
135398517	XLogP3-AA	0.3
123223196	Structure_Complexity	103
164512	TPSA	51.2
6067	Tautomer_Count	1
53346589	Covalent_Unit_Count	1
143719689	Total_Formal_Charge	0
18506422	Rotatable_Bond_Count	2
54337282	Rotatable_Bond_Count	1
57916384	Defined_Bond_Stereo_Count	0
68880	Undefined_Bond_Stereo_Count	0
70721	Exact_Mass	110.073164938
134008	Undefined_Atom_Stereo_Count	0
257156	Structure_Complexity	270
35365	Total_Formal_Charge	0
2358	Exact_Mass	211.04807239
15945857	Defined_Atom_Stereo_Count	0
40703	TPSA	36.9
154809629	Total_Formal_Charge	0
14947257	Rotatable_Bond_Count	2
85979	Hydrogen_Bond_Acceptor_Count	1
4286	Exact_Mass	341.22156050
87664346	Total_Formal_Charge	0
1473603	Covalent_Unit_Count	1
51668574	Mono_Isotopic_Weight	465.18212350
9579252	Undefined_Atom_Stereo_Count	0
9821849	Structure_Complexity	739
14337	Total_Formal_Charge	0
946372	Structure_Complexity	492
15092989	XLogP3-AA	0.4
71210	Mono_Isotopic_Weight	227.094628657
53477781	Hydrogen_Bond_Donor_Count	3
53119	Isotope_Atom_Count	0
556172	Defined_Bond_Stereo_Count	0
24453	Covalent_Unit_Count	1
21161643	Covalent_Unit_Count	1
12066842	Non-hydrogen_Atom_Count	7
3009817	Isotope_Atom_Count	0
18798529	Hydrogen_Bond_Acceptor_Count	0
682654	Total_Formal_Charge	0
9514	Total_Formal_Charge	0
58126	Hydrogen_Bond_Donor_Count	1
73981	Mono_Isotopic_Weight	57.9905210
12694695	Rotatable_Bond_Count	0
89805	Undefined_Atom_Stereo_Count	0
21865526	Rotatable_Bond_Count	2
89508157	Covalent_Unit_Count	1
18302	Defined_Atom_Stereo_Count	0
21702770	XLogP3-AA	0.1
53683774	Non-hydrogen_Atom_Count	8
102293	Isotope_Atom_Count	0
14344952	Undefined_Bond_Stereo_Count	0
7318	Exact_Mass	183.01677226
701621	XLogP3-AA	3.1
106729	Covalent_Unit_Count	1
82711397	Molecular_Weight	118.13
140655119	Hydrogen_Bond_Donor_Count	1
486026	Covalent_Unit_Count	1
135474265	Defined_Bond_Stereo_Count	0
21189113	Non-hydrogen_Atom_Count	7
141770945	Defined_Atom_Stereo_Count	0
177085	Molecular_Weight	184.62
59875983	Total_Formal_Charge	0
5994	Exact_Mass	314.224580195
841	Hydrogen_Bond_Acceptor_Count	5
456557	Isotope_Atom_Count	0
6624	Mono_Isotopic_Weight	266.0265204
24814	Total_Formal_Charge	0
114840	Exact_Mass	271.12084340
135509117	Total_Formal_Charge	0
65432	Total_Formal_Charge	0
49928	Covalent_Unit_Count	1
57404062	Isotope_Atom_Count	0
123769339	Molecular_Weight	100.16
11007917	Rotatable_Bond_Count	5
52654	Mono_Isotopic_Weight	252.220163521
44421047	Mono_Isotopic_Weight	923.48784986
12040509	Structure_Complexity	533
57468	Defined_Atom_Stereo_Count	0
119525	Hydrogen_Bond_Acceptor_Count	10
10079	Defined_Bond_Stereo_Count	0
8281	Non-hydrogen_Atom_Count	17
85944292	Isotope_Atom_Count	0
67704	Tautomer_Count	2
7923	Hydrogen_Bond_Acceptor_Count	3
3036222	Covalent_Unit_Count	1
59296077	Defined_Bond_Stereo_Count	0
11677589	Non-hydrogen_Atom_Count	35
1639804	Isotope_Atom_Count	0
135400183	Covalent_Unit_Count	1
70385	Isotope_Atom_Count	0
32266	Structure_Complexity	477
53796209	Hydrogen_Bond_Acceptor_Count	2
4369270	Undefined_Atom_Stereo_Count	0
316722	Exact_Mass	112.088815002
139244568	Structure_Complexity	546
69925	Mono_Isotopic_Weight	276.097041664
13499611	Molecular_Weight	114.19
18626415	Exact_Mass	102.068079557
65565	Total_Formal_Charge	0
65370	Rotatable_Bond_Count	13
30380	TPSA	29.1
168928	Rotatable_Bond_Count	1
99478	Defined_Bond_Stereo_Count	0
56296	TPSA	165
42884	Hydrogen_Bond_Donor_Count	0
13861740	Non-hydrogen_Atom_Count	8
126569786	Hydrogen_Bond_Donor_Count	5
26139	Defined_Atom_Stereo_Count	0
11161534	Non-hydrogen_Atom_Count	20
13375090	Isotope_Atom_Count	0
5484444	Rotatable_Bond_Count	4
938845	Hydrogen_Bond_Donor_Count	0
64032	Covalent_Unit_Count	3
162918376	Undefined_Atom_Stereo_Count	0
23167	Tautomer_Count	1
2155	Exact_Mass	100.00951931
137105	Rotatable_Bond_Count	0
10781	Defined_Atom_Stereo_Count	0
104902	Hydrogen_Bond_Donor_Count	1
123165994	Total_Formal_Charge	0
121540407	Molecular_Weight	342.30
13191	Structure_Complexity	56.6
587322	Rotatable_Bond_Count	6
90941530	Undefined_Bond_Stereo_Count	0
59050126	Covalent_Unit_Count	1
53875238	Undefined_Atom_Stereo_Count	1
5182526	Hydrogen_Bond_Donor_Count	0
20392430	Hydrogen_Bond_Donor_Count	1
984	Tautomer_Count	2
6453851	Total_Formal_Charge	1
121493082	Structure_Complexity	18900
7016383	Tautomer_Count	2
71451930	Structure_Complexity	953
5064	Mono_Isotopic_Weight	244.08076950
3420996	XLogP3-AA	3.9
111804	Rotatable_Bond_Count	4
53316391	Molecular_Weight	386.5
147873	Non-hydrogen_Atom_Count	18
9330	Non-hydrogen_Atom_Count	24
51392	Exact_Mass	284.282763776
21228	Total_Formal_Charge	0
123891134	Undefined_Atom_Stereo_Count	4
446400	XLogP3-AA	6.8
4322479	TPSA	62.7
11063855	Mono_Isotopic_Weight	216.208930132
12160	Undefined_Bond_Stereo_Count	0
88729	Defined_Atom_Stereo_Count	0
101239377	Hydrogen_Bond_Acceptor_Count	10
9797798	Mono_Isotopic_Weight	335.07040306
117516	Covalent_Unit_Count	1
5815211	Undefined_Bond_Stereo_Count	0
28582	Exact_Mass	309.12210670
640759	Molecular_Weight	131.17
3894573	Undefined_Atom_Stereo_Count	0
4479912	Rotatable_Bond_Count	10
5354004	Non-hydrogen_Atom_Count	22
44455117	Mono_Isotopic_Weight	377.11218768
13158	Covalent_Unit_Count	2
53325875	Covalent_Unit_Count	1
12372	Total_Formal_Charge	0
4994	XLogP3-AA	1
31018	Hydrogen_Bond_Acceptor_Count	2
66704467	Covalent_Unit_Count	1
39425	Mono_Isotopic_Weight	249.139173551
10168	Defined_Bond_Stereo_Count	0
403648	Covalent_Unit_Count	1
3795	TPSA	76.5
9918581	Isotope_Atom_Count	0
66908	Molecular_Weight	171.28
76583	Isotope_Atom_Count	0
64148	Hydrogen_Bond_Donor_Count	0
10091748	Defined_Atom_Stereo_Count	0
439373	Rotatable_Bond_Count	2
136655	Exact_Mass	159.079647300
11545958	XLogP3-AA	3.1
1641	Isotope_Atom_Count	0
69932654	Non-hydrogen_Atom_Count	8
46205409	Rotatable_Bond_Count	16
18669439	Molecular_Weight	99.09
10346870	TPSA	121
3271820	Isotope_Atom_Count	0
10470290	Mono_Isotopic_Weight	304.10725903
21490213	Undefined_Bond_Stereo_Count	0
22858512	Exact_Mass	121.917853
31230	Undefined_Bond_Stereo_Count	0
6432512	Hydrogen_Bond_Acceptor_Count	5
86566	Defined_Bond_Stereo_Count	0
9387	Hydrogen_Bond_Acceptor_Count	18
65594	Undefined_Atom_Stereo_Count	1
16957	Undefined_Bond_Stereo_Count	0
24832040	Undefined_Atom_Stereo_Count	0
57514167	TPSA	67.5
11622593	Defined_Bond_Stereo_Count	0
11317883	Total_Formal_Charge	0
9892539	Hydrogen_Bond_Acceptor_Count	7
515574	Hydrogen_Bond_Donor_Count	0
16555	TPSA	104
78236	Isotope_Atom_Count	0
85838693	Total_Formal_Charge	0
5284380	Rotatable_Bond_Count	5
7124	Mono_Isotopic_Weight	173.047678466
11933	Defined_Atom_Stereo_Count	0
6323264	Isotope_Atom_Count	0
28936	Molecular_Weight	428.1
21954793	Total_Formal_Charge	0
13885286	Structure_Complexity	318
53678561	Undefined_Atom_Stereo_Count	0
51997	TPSA	62.6
90713931	Rotatable_Bond_Count	15
92600	Undefined_Atom_Stereo_Count	0
436520	Tautomer_Count	1
75227	Mono_Isotopic_Weight	139.099714038
3123	Undefined_Atom_Stereo_Count	1
94097	Covalent_Unit_Count	1
60159	Isotope_Atom_Count	0
9327	Non-hydrogen_Atom_Count	46
18719	Isotope_Atom_Count	0
58860	Isotope_Atom_Count	0
26934	Covalent_Unit_Count	1
139584807	Isotope_Atom_Count	0
187888	Isotope_Atom_Count	0
58907754	Defined_Atom_Stereo_Count	6
11389359	Rotatable_Bond_Count	1
520383	Mono_Isotopic_Weight	204.187800766
145521	Isotope_Atom_Count	0
439468	Isotope_Atom_Count	0
19169	Defined_Atom_Stereo_Count	0
91439	Total_Formal_Charge	0
344693	Hydrogen_Bond_Donor_Count	1
24211992	Covalent_Unit_Count	1
76583	Tautomer_Count	1
1202	Undefined_Bond_Stereo_Count	2
13432441	Mono_Isotopic_Weight	103.099714038
92722	Molecular_Weight	508.6
7846	Undefined_Bond_Stereo_Count	0
164668700	Structure_Complexity	148
81445	Hydrogen_Bond_Donor_Count	1
55286501	Structure_Complexity	119
6992032	Undefined_Atom_Stereo_Count	0
17929084	Undefined_Atom_Stereo_Count	0
140511	Structure_Complexity	59.4
556836	Non-hydrogen_Atom_Count	7
2734247	Non-hydrogen_Atom_Count	20
935707	Structure_Complexity	443
20638380	Mono_Isotopic_Weight	818.6973
13520	Isotope_Atom_Count	0
1459	Hydrogen_Bond_Donor_Count	4
12878836	Defined_Bond_Stereo_Count	0
71449750	Defined_Bond_Stereo_Count	0
150310	XLogP3	1.4
20690429	Rotatable_Bond_Count	8
56842239	Covalent_Unit_Count	3
21552514	TPSA	50.1
20087178	Undefined_Bond_Stereo_Count	0
93463	Covalent_Unit_Count	1
3653	Hydrogen_Bond_Acceptor_Count	4
10963	Tautomer_Count	1
134129845	Exact_Mass	1039.43679229
136059	Defined_Bond_Stereo_Count	0
518966	Undefined_Atom_Stereo_Count	0
15741339	Covalent_Unit_Count	1
53851	Molecular_Weight	317.5
15731	Structure_Complexity	161
51380890	Defined_Atom_Stereo_Count	0
90843502	Non-hydrogen_Atom_Count	8
9860946	Isotope_Atom_Count	0
12132667	Isotope_Atom_Count	0
66581	Hydrogen_Bond_Donor_Count	0
68297	XLogP3-AA	2.8
12331	Defined_Bond_Stereo_Count	0
83891	Undefined_Bond_Stereo_Count	0
185617	Defined_Atom_Stereo_Count	5
86488	Undefined_Bond_Stereo_Count	0
131057	Total_Formal_Charge	0
9934032	Defined_Atom_Stereo_Count	0
104818	Total_Formal_Charge	0
23385063	Isotope_Atom_Count	0
60956	Tautomer_Count	1
21655019	Structure_Complexity	48.1
153	Exact_Mass	295.05693679
5491647	Isotope_Atom_Count	0
10493732	Hydrogen_Bond_Donor_Count	2
5282517	Total_Formal_Charge	0
62232603	Total_Formal_Charge	0
87490405	Undefined_Atom_Stereo_Count	0
5148108	Hydrogen_Bond_Donor_Count	2
13130	Undefined_Bond_Stereo_Count	0
655960	Molecular_Weight	426.5
18617909	Defined_Atom_Stereo_Count	0
71530	Molecular_Weight	333.24
20563296	Structure_Complexity	162
265776	TPSA	37.8
169109	Defined_Atom_Stereo_Count	0
17038	Isotope_Atom_Count	0
644020	Non-hydrogen_Atom_Count	17
72153	Structure_Complexity	208
117891679	Structure_Complexity	133
62823	TPSA	55
18831	Molecular_Weight	145.55
18104	TPSA	72.3
14768	Covalent_Unit_Count	1
17480032	Rotatable_Bond_Count	0
53317194	Undefined_Atom_Stereo_Count	0
6454351	XLogP3	1.6
96301	Tautomer_Count	1
92374	Structure_Complexity	189
25008	Structure_Complexity	83.4
398675	XLogP3-AA	5.1
122452208	Defined_Atom_Stereo_Count	0
58608	XLogP3-AA	3.4
6538	Structure_Complexity	255
114905	Hydrogen_Bond_Acceptor_Count	9
11416891	Non-hydrogen_Atom_Count	23
6999	Total_Formal_Charge	0
443831	Exact_Mass	513.16349606
5459220	Defined_Bond_Stereo_Count	2
70338843	Structure_Complexity	102
137264	Isotope_Atom_Count	0
293	Total_Formal_Charge	0
24802109	Mono_Isotopic_Weight	310.1811912
11466	Undefined_Bond_Stereo_Count	0
2167	Covalent_Unit_Count	1
12895043	Covalent_Unit_Count	1
89374433	Structure_Complexity	118
13459667	Exact_Mass	99.104799419
25263111	Undefined_Bond_Stereo_Count	0
11270783	Defined_Bond_Stereo_Count	0
4410	Hydrogen_Bond_Acceptor_Count	7
60165656	Undefined_Atom_Stereo_Count	0
54708299	Covalent_Unit_Count	1
59871564	TPSA	56
73707487	XLogP3	1.9
1344	XLogP3	0.1
10658	Mono_Isotopic_Weight	186.031694049
39106	Defined_Bond_Stereo_Count	0
3636092	Hydrogen_Bond_Acceptor_Count	3
87663190	Undefined_Bond_Stereo_Count	0
141681	Tautomer_Count	1
1444	Undefined_Bond_Stereo_Count	3
9964065	Defined_Atom_Stereo_Count	0
401	Non-hydrogen_Atom_Count	7
54684141	Total_Formal_Charge	0
69465	Tautomer_Count	1
316542	Hydrogen_Bond_Donor_Count	2
4679699	Non-hydrogen_Atom_Count	12
123827359	Undefined_Atom_Stereo_Count	1
6539985	Defined_Atom_Stereo_Count	0
127030167	Exact_Mass	932.52271925
185498	Total_Formal_Charge	2
7499	Tautomer_Count	1
8373	Defined_Atom_Stereo_Count	0
2203	Defined_Atom_Stereo_Count	0
55716	TPSA	90.5
11619220	Isotope_Atom_Count	0
6537499	Rotatable_Bond_Count	2
704232	Mono_Isotopic_Weight	312.14739250
5364932	Hydrogen_Bond_Donor_Count	1
2099	Covalent_Unit_Count	1
55973	Exact_Mass	315.90260
694358	Mono_Isotopic_Weight	320.0208685
3151	Covalent_Unit_Count	1
65452	Total_Formal_Charge	0
96381	Mono_Isotopic_Weight	220.146329876
18185822	Hydrogen_Bond_Acceptor_Count	3
7056	Undefined_Atom_Stereo_Count	0
71464488	Undefined_Atom_Stereo_Count	1
91670	Undefined_Bond_Stereo_Count	0
101176453	Non-hydrogen_Atom_Count	75
2320	Undefined_Bond_Stereo_Count	1
2733708	Defined_Bond_Stereo_Count	0
21016055	Rotatable_Bond_Count	0
13229	Structure_Complexity	116
10250769	Hydrogen_Bond_Acceptor_Count	7
10618	Defined_Bond_Stereo_Count	0
107	Defined_Bond_Stereo_Count	0
73707340	Exact_Mass	326.272199093
12278295	Undefined_Atom_Stereo_Count	0
17753880	Hydrogen_Bond_Acceptor_Count	4
23057994	Structure_Complexity	63.5
2003	Hydrogen_Bond_Acceptor_Count	2
6455792	Undefined_Bond_Stereo_Count	0
810229	Isotope_Atom_Count	0
3083540	Tautomer_Count	1
45488111	Defined_Atom_Stereo_Count	0
123268	Hydrogen_Bond_Acceptor_Count	2
12749319	Undefined_Atom_Stereo_Count	1
147594753	Defined_Atom_Stereo_Count	0
13396	Defined_Bond_Stereo_Count	0
5755	Hydrogen_Bond_Donor_Count	3
6507255	Non-hydrogen_Atom_Count	21
24848382	Covalent_Unit_Count	1
153963013	Hydrogen_Bond_Acceptor_Count	4
63096	Isotope_Atom_Count	0
2456	Molecular_Weight	247.31
43002	Hydrogen_Bond_Donor_Count	1
25102936	Molecular_Weight	426.5
137606	Hydrogen_Bond_Donor_Count	0
464036	Undefined_Atom_Stereo_Count	0
216416	Exact_Mass	413.235479232
71458922	Mono_Isotopic_Weight	462.27432435
5351279	TPSA	7.8
1241301	Exact_Mass	196.9371984
66545758	Hydrogen_Bond_Donor_Count	2
52987927	Covalent_Unit_Count	1
22932	Undefined_Bond_Stereo_Count	0
10219406	XLogP3-AA	1.2
14957	Non-hydrogen_Atom_Count	39
66535	Total_Formal_Charge	0
2733525	Hydrogen_Bond_Donor_Count	4
1260	Non-hydrogen_Atom_Count	28
58512812	Undefined_Bond_Stereo_Count	0
12773795	TPSA	27
124524515	Molecular_Weight	342.30
163962080	Covalent_Unit_Count	1
59146659	Hydrogen_Bond_Donor_Count	5
12993402	Structure_Complexity	351
51174	Defined_Bond_Stereo_Count	0
134613	Non-hydrogen_Atom_Count	20
84647614	Hydrogen_Bond_Acceptor_Count	3
285285	Exact_Mass	377.047153
53664307	Structure_Complexity	53.7
18475804	Rotatable_Bond_Count	2
315201	Undefined_Atom_Stereo_Count	2
18410493	Defined_Atom_Stereo_Count	0
60196266	Rotatable_Bond_Count	16
91884833	Structure_Complexity	688
75868	Molecular_Weight	272.21
101675604	Tautomer_Count	4
12480	Undefined_Atom_Stereo_Count	0
141130780	Structure_Complexity	74.5
54585641	Undefined_Atom_Stereo_Count	0
10250	Structure_Complexity	230
72941442	Isotope_Atom_Count	0
5743568	Tautomer_Count	40
60196286	Exact_Mass	328.10056145
8638	Undefined_Bond_Stereo_Count	0
140180	Isotope_Atom_Count	0
84647715	Defined_Bond_Stereo_Count	0
12374	TPSA	40.5
23283001	Exact_Mass	108.093900383
86882	Covalent_Unit_Count	1
593379	TPSA	92.8
4590704	Defined_Bond_Stereo_Count	0
71541192	Total_Formal_Charge	0
16157	Defined_Bond_Stereo_Count	0
10178	Undefined_Bond_Stereo_Count	0
687604	Non-hydrogen_Atom_Count	20
135449331	Tautomer_Count	15
20372060	Mono_Isotopic_Weight	113.047678466
1246044	Structure_Complexity	365
57394708	Structure_Complexity	746
64148	Molecular_Weight	240.3
18006111	Molecular_Weight	103.12
38035	Hydrogen_Bond_Acceptor_Count	0
1505	Covalent_Unit_Count	1
19354670	Non-hydrogen_Atom_Count	6
9967055	Undefined_Atom_Stereo_Count	0
144550270	Covalent_Unit_Count	1
446156	Mono_Isotopic_Weight	459.24210135
54043984	Mono_Isotopic_Weight	202.078250319
56626	Undefined_Bond_Stereo_Count	0
73802	Hydrogen_Bond_Acceptor_Count	7
650572	Structure_Complexity	490
10391	Non-hydrogen_Atom_Count	13
638071	Hydrogen_Bond_Acceptor_Count	0
5287851	Undefined_Bond_Stereo_Count	0
11543746	Hydrogen_Bond_Donor_Count	1
56340	Non-hydrogen_Atom_Count	20
11469158	TPSA	35.5
54324318	TPSA	43.6
70276605	Rotatable_Bond_Count	6
92981	Total_Formal_Charge	0
16426	Total_Formal_Charge	0
17652	Molecular_Weight	153.18
926	Non-hydrogen_Atom_Count	44
54285331	Total_Formal_Charge	0
12674802	Hydrogen_Bond_Acceptor_Count	1
46529	Defined_Bond_Stereo_Count	0
519946	Undefined_Atom_Stereo_Count	0
156618055	Undefined_Atom_Stereo_Count	0
441140	XLogP3	2.2
441383	Rotatable_Bond_Count	8
8255	Exact_Mass	56.062600255
824336	Exact_Mass	348.0335411
2562	Tautomer_Count	1
23566493	Isotope_Atom_Count	0
3038482	Undefined_Bond_Stereo_Count	0
44864	Exact_Mass	270.08920892
9885692	Total_Formal_Charge	0
29385	Mono_Isotopic_Weight	102.128274515
5363685	Molecular_Weight	206.28
71107	Mono_Isotopic_Weight	426.12494298
21227	XLogP3-AA	1.2
7274	Undefined_Atom_Stereo_Count	0
4692287	Exact_Mass	344.23514488
15606	Isotope_Atom_Count	0
49440	Molecular_Weight	220.6
38207	Tautomer_Count	1
3891	Total_Formal_Charge	0
442636	Undefined_Atom_Stereo_Count	0
59045964	Structure_Complexity	74.9
24839546	Total_Formal_Charge	0
3414	Rotatable_Bond_Count	0
68321854	Mono_Isotopic_Weight	337.15387487
21718901	XLogP3-AA	0.8
96796	Molecular_Weight	160.17
629965	Defined_Atom_Stereo_Count	0
4693	Structure_Complexity	1440
9901	Covalent_Unit_Count	1
65650	Structure_Complexity	250
104607	TPSA	44.4
24180686	Structure_Complexity	420
12719155	Defined_Atom_Stereo_Count	0
642669	Total_Formal_Charge	0
24415	Undefined_Atom_Stereo_Count	0
1527	Isotope_Atom_Count	0
359778	Molecular_Weight	324.2
61631	Mono_Isotopic_Weight	170.130679813
19494	Undefined_Atom_Stereo_Count	0
562683	Structure_Complexity	386
53403603	Defined_Bond_Stereo_Count	0
12023	Hydrogen_Bond_Donor_Count	1
47491	Hydrogen_Bond_Acceptor_Count	7
134085	Structure_Complexity	269
60167543	Mono_Isotopic_Weight	500.18442974
67656913	Undefined_Bond_Stereo_Count	0
71165	Mono_Isotopic_Weight	288.14739250
4121	TPSA	126
25019176	Hydrogen_Bond_Donor_Count	6
44370729	Mono_Isotopic_Weight	237.07832714
71462628	Rotatable_Bond_Count	9
429551	Molecular_Weight	144.17
2322334	TPSA	52.7
8550	Exact_Mass	578.26281617
13166770	Undefined_Bond_Stereo_Count	0
56945145	Undefined_Bond_Stereo_Count	0
154982320	Hydrogen_Bond_Acceptor_Count	1
62097	XLogP3-AA	2.1
612743	Defined_Atom_Stereo_Count	0
21470208	Hydrogen_Bond_Donor_Count	2
47676	Covalent_Unit_Count	1
44338970	Mono_Isotopic_Weight	485.11128449
22419	Undefined_Bond_Stereo_Count	0
21679450	Molecular_Weight	107.11
123415454	Total_Formal_Charge	0
9837674	Undefined_Atom_Stereo_Count	0
22323244	Defined_Atom_Stereo_Count	0
7971	Mono_Isotopic_Weight	95.037113783
53754520	Exact_Mass	180.089877630
54541930	Undefined_Bond_Stereo_Count	0
34800	TPSA	25.8
1970	Mono_Isotopic_Weight	399.16550218
37247	Non-hydrogen_Atom_Count	15
73246	Mono_Isotopic_Weight	535.17368407
20591	Defined_Atom_Stereo_Count	0
45085029	Undefined_Atom_Stereo_Count	1
91688	Exact_Mass	281.0407907
74141	Structure_Complexity	114
5360232	Hydrogen_Bond_Donor_Count	1
46891563	Total_Formal_Charge	0
91711338	Mono_Isotopic_Weight	302.224580195
69275	Isotope_Atom_Count	0
137938997	TPSA	21.8
93192	Hydrogen_Bond_Donor_Count	2
21972128	Hydrogen_Bond_Donor_Count	1
58817179	TPSA	62.8
60712	Defined_Atom_Stereo_Count	0
2724039	Defined_Bond_Stereo_Count	0
86811213	Tautomer_Count	1
73425158	Total_Formal_Charge	0
254132	Hydrogen_Bond_Donor_Count	1
72758138	Molecular_Weight	437.5
65482	Mono_Isotopic_Weight	381.17606686
55303612	Total_Formal_Charge	0
59119	Non-hydrogen_Atom_Count	22
2955	Total_Formal_Charge	0
140898864	Defined_Atom_Stereo_Count	0
94215	Non-hydrogen_Atom_Count	8
54708299	Hydrogen_Bond_Donor_Count	2
7394	Molecular_Weight	180.55
1128	Mono_Isotopic_Weight	104.02958605
5460044	Hydrogen_Bond_Donor_Count	6
45356890	Mono_Isotopic_Weight	352.1012268
12203051	Defined_Bond_Stereo_Count	0
398661	Undefined_Bond_Stereo_Count	0
10072851	Rotatable_Bond_Count	5
57465453	Isotope_Atom_Count	0
54058352	Mono_Isotopic_Weight	115.063328530
11061169	Total_Formal_Charge	0
66057	Defined_Atom_Stereo_Count	0
82993	Isotope_Atom_Count	0
69240	Covalent_Unit_Count	1
59059978	Total_Formal_Charge	0
166548151	Undefined_Atom_Stereo_Count	0
13150	Defined_Bond_Stereo_Count	0
63055	Molecular_Weight	482.6
80084	Undefined_Bond_Stereo_Count	0
83023	Rotatable_Bond_Count	8
11514319	Defined_Atom_Stereo_Count	0
143647928	Structure_Complexity	107
6850791	Total_Formal_Charge	0
62453	Isotope_Atom_Count	0
41095	Exact_Mass	249.172878976
6328648	Covalent_Unit_Count	1
22754947	Non-hydrogen_Atom_Count	13
11658655	Structure_Complexity	245
320459	Isotope_Atom_Count	0
54736666	Exact_Mass	934.33559865
53914733	Covalent_Unit_Count	1
6273	Rotatable_Bond_Count	4
301567	Hydrogen_Bond_Acceptor_Count	1
72554	Molecular_Weight	392.5
71622	Structure_Complexity	612
44580386	Mono_Isotopic_Weight	470.14871294
33044	Undefined_Atom_Stereo_Count	0
11159486	Non-hydrogen_Atom_Count	12
107649	Undefined_Atom_Stereo_Count	0
17166	Hydrogen_Bond_Donor_Count	0
69332601	Hydrogen_Bond_Acceptor_Count	3
13243	Undefined_Atom_Stereo_Count	0
42623223	Structure_Complexity	543
1721	Hydrogen_Bond_Donor_Count	6
193390	Total_Formal_Charge	0
46216142	Tautomer_Count	2
11443029	Molecular_Weight	480.9
445039	Hydrogen_Bond_Acceptor_Count	8
8393	Tautomer_Count	1
9926586	Rotatable_Bond_Count	2
48807	XLogP3	2.6
71517529	Undefined_Bond_Stereo_Count	0
135413538	Molecular_Weight	614.4
45358180	Mono_Isotopic_Weight	882.34445505
17045	XLogP3-AA	0.5
69647192	Structure_Complexity	115
53393583	Hydrogen_Bond_Acceptor_Count	0
12377442	Undefined_Bond_Stereo_Count	0
5362116	Mono_Isotopic_Weight	452.23112213
72545257	Molecular_Weight	468.2
25001849	Hydrogen_Bond_Acceptor_Count	9
422	Hydrogen_Bond_Acceptor_Count	10
37049	Structure_Complexity	689
7056	Mono_Isotopic_Weight	162.0236279
9798	XLogP3-AA	8
87409	Defined_Bond_Stereo_Count	0
9188	Defined_Bond_Stereo_Count	0
237873	Defined_Atom_Stereo_Count	0
5743	Hydrogen_Bond_Acceptor_Count	6
12713	Defined_Atom_Stereo_Count	0
11294	Total_Formal_Charge	0
2167092	Covalent_Unit_Count	1
6919003	Defined_Atom_Stereo_Count	0
73461	TPSA	193
4180	Non-hydrogen_Atom_Count	17
12048	Molecular_Weight	100.20
37393	Isotope_Atom_Count	0
72002	Defined_Atom_Stereo_Count	0
11279	Structure_Complexity	155
1667	Hydrogen_Bond_Acceptor_Count	5
5359620	Undefined_Bond_Stereo_Count	0
201652	Non-hydrogen_Atom_Count	13
174341	Hydrogen_Bond_Acceptor_Count	2
46861540	Hydrogen_Bond_Acceptor_Count	8
3348	Undefined_Bond_Stereo_Count	0
20535601	Undefined_Atom_Stereo_Count	0
26388	Non-hydrogen_Atom_Count	30
3272524	Isotope_Atom_Count	0
11033	TPSA	124
2433	Hydrogen_Bond_Acceptor_Count	14
306211	Non-hydrogen_Atom_Count	20
20057076	Undefined_Atom_Stereo_Count	0
638793	Defined_Atom_Stereo_Count	8
129670580	XLogP3-AA	3.2
1894	Defined_Atom_Stereo_Count	0
10299876	Structure_Complexity	492
439846	Molecular_Weight	76.09
6437071	Total_Formal_Charge	0
8875	Hydrogen_Bond_Acceptor_Count	5
87653	XLogP3-AA	0.3
12579403	Rotatable_Bond_Count	1
1550874	Hydrogen_Bond_Donor_Count	2
6951563	Defined_Atom_Stereo_Count	0
91196148	Structure_Complexity	2330
43173	Hydrogen_Bond_Donor_Count	3
26108	Covalent_Unit_Count	3
8508	Molecular_Weight	545.7
88532	Hydrogen_Bond_Acceptor_Count	13
62274	Covalent_Unit_Count	1
15926139	XLogP3-AA	1.1
31877	Covalent_Unit_Count	1
102592515	Hydrogen_Bond_Acceptor_Count	2
60196294	Defined_Bond_Stereo_Count	0
23665647	Isotope_Atom_Count	0
15580	Non-hydrogen_Atom_Count	17
2764068	Covalent_Unit_Count	1
135413497	Molecular_Weight	266.09
38945	Total_Formal_Charge	0
17159	Hydrogen_Bond_Donor_Count	0
54915	XLogP3-AA	6.2
14257	Covalent_Unit_Count	1
11714580	Total_Formal_Charge	0
136053758	Undefined_Bond_Stereo_Count	1
11590255	Undefined_Atom_Stereo_Count	0
45076013	Undefined_Bond_Stereo_Count	0
24892775	Covalent_Unit_Count	1
8173	Isotope_Atom_Count	0
42574	Undefined_Bond_Stereo_Count	0
63093	TPSA	0
547738	Structure_Complexity	76.2
23663539	Exact_Mass	287.825997
45484135	Non-hydrogen_Atom_Count	35
14781907	Molecular_Weight	101.15
9956	Exact_Mass	109.063997236
69033681	Covalent_Unit_Count	1
5003	Tautomer_Count	1
12394645	Rotatable_Bond_Count	0
12242815	Hydrogen_Bond_Acceptor_Count	1
3083655	Tautomer_Count	2
51055169	Covalent_Unit_Count	1
18484	Mono_Isotopic_Weight	290.17944152
11541511	Molecular_Weight	576.7
18518868	Covalent_Unit_Count	2
23677992	Hydrogen_Bond_Acceptor_Count	6
60196440	Isotope_Atom_Count	0
116864150	Structure_Complexity	107
4369413	Hydrogen_Bond_Donor_Count	1
69829	Defined_Bond_Stereo_Count	0
6432459	Exact_Mass	303.14705815
7915	Exact_Mass	102.068079557
448925	TPSA	190
18142	Undefined_Atom_Stereo_Count	0
72761	Hydrogen_Bond_Donor_Count	2
2914	Structure_Complexity	903
86278347	Molecular_Weight	447.5
12668	Rotatable_Bond_Count	0
4231972	Non-hydrogen_Atom_Count	8
441130	Mono_Isotopic_Weight	383.15149208
61664	Non-hydrogen_Atom_Count	7
21956312	Covalent_Unit_Count	1
3714831	Non-hydrogen_Atom_Count	11
289031	Hydrogen_Bond_Acceptor_Count	7
87700	Total_Formal_Charge	0
179338	Molecular_Weight	512.1
15273523	Undefined_Atom_Stereo_Count	0
57827330	Rotatable_Bond_Count	4
91664	Molecular_Weight	301.13
6951123	Exact_Mass	145.110278721
93032	TPSA	78.6
42928	Molecular_Weight	237.64
13661819	Defined_Bond_Stereo_Count	0
3976	Hydrogen_Bond_Acceptor_Count	4
625277	TPSA	35.5
12408077	Covalent_Unit_Count	1
14119	Hydrogen_Bond_Donor_Count	1
59446219	Hydrogen_Bond_Donor_Count	7
72693	Total_Formal_Charge	0
133561861	Hydrogen_Bond_Acceptor_Count	3
8158	Isotope_Atom_Count	0
17881	Undefined_Atom_Stereo_Count	0
175945	Non-hydrogen_Atom_Count	23
148007841	Hydrogen_Bond_Acceptor_Count	1
53483390	Hydrogen_Bond_Donor_Count	6
711	TPSA	201
18008584	Exact_Mass	99.104799419
441364	Undefined_Bond_Stereo_Count	0
12580931	Isotope_Atom_Count	0
315411	Total_Formal_Charge	0
21547708	Tautomer_Count	5
90853172	Isotope_Atom_Count	0
137814	Covalent_Unit_Count	1
28343	Non-hydrogen_Atom_Count	8
2916	Total_Formal_Charge	0
70381	Defined_Atom_Stereo_Count	0
105037	Defined_Bond_Stereo_Count	0
22472382	Molecular_Weight	113.11
71245288	Molecular_Weight	445.5
70693267	Exact_Mass	529.1629153
250074	Mono_Isotopic_Weight	166.062994177
2350	Mono_Isotopic_Weight	388.1553704
8396	Structure_Complexity	149
7710	Defined_Atom_Stereo_Count	0
5364328	Structure_Complexity	102
3035240	Structure_Complexity	409
44443939	TPSA	164
57521	XLogP3-AA	4.3
22015243	Non-hydrogen_Atom_Count	8
68290287	Molecular_Weight	114.10
117045887	Mono_Isotopic_Weight	95.073499291
24879665	Defined_Atom_Stereo_Count	8
54675854	Exact_Mass	151.039519081
88142236	Defined_Atom_Stereo_Count	0
24956	Rotatable_Bond_Count	0
13702293	XLogP3-AA	0.2
123642	Hydrogen_Bond_Acceptor_Count	4
9839306	Non-hydrogen_Atom_Count	22
71352766	Non-hydrogen_Atom_Count	20
5311449	Non-hydrogen_Atom_Count	44
87300	Hydrogen_Bond_Acceptor_Count	2
11250	Molecular_Weight	84.16
88589623	Total_Formal_Charge	0
148195	Structure_Complexity	790
9985155	Mono_Isotopic_Weight	555.23693578
146089	Molecular_Weight	256.33
23725019	Total_Formal_Charge	0
168707	Structure_Complexity	489
88239551	Total_Formal_Charge	0
5009	Molecular_Weight	323.4
71961	Hydrogen_Bond_Acceptor_Count	9
10239769	Molecular_Weight	555.6
7096	TPSA	15.3
7263	Defined_Bond_Stereo_Count	0
44590445	Isotope_Atom_Count	0
54525833	Defined_Bond_Stereo_Count	0
14781	Undefined_Atom_Stereo_Count	0
22087370	Defined_Atom_Stereo_Count	0
402869	Defined_Atom_Stereo_Count	0
15951485	XLogP3-AA	3.4
23655	Non-hydrogen_Atom_Count	21
15765	Hydrogen_Bond_Acceptor_Count	2
138961	Undefined_Bond_Stereo_Count	0
5402	Isotope_Atom_Count	0
131674979	Non-hydrogen_Atom_Count	59
146102	Structure_Complexity	364
129644131	TPSA	20.2
11601	Non-hydrogen_Atom_Count	6
10195	Defined_Atom_Stereo_Count	0
20448998	Defined_Bond_Stereo_Count	0
137530132	XLogP3-AA	4.5
6337614	Defined_Atom_Stereo_Count	2
6993809	Undefined_Atom_Stereo_Count	0
31193	Defined_Bond_Stereo_Count	0
135398561	Undefined_Atom_Stereo_Count	0
88063521	XLogP3-AA	0.6
96604	Mono_Isotopic_Weight	296.13069707
43860	Structure_Complexity	663
21117215	Covalent_Unit_Count	1
20390093	Mono_Isotopic_Weight	100.027277375
82736	Mono_Isotopic_Weight	96.068748264
30251	Mono_Isotopic_Weight	283.0894550
71587	Undefined_Atom_Stereo_Count	0
68289914	Undefined_Atom_Stereo_Count	0
358	Defined_Bond_Stereo_Count	0
6314	Hydrogen_Bond_Acceptor_Count	2
208911	Total_Formal_Charge	0
49248	Structure_Complexity	327
65492	Mono_Isotopic_Weight	776.8541
67248272	Hydrogen_Bond_Donor_Count	1
487	Structure_Complexity	103
148931549	Defined_Bond_Stereo_Count	1
21578704	Exact_Mass	330.15795719
11412863	Rotatable_Bond_Count	1
10288822	Undefined_Atom_Stereo_Count	0
637517	Hydrogen_Bond_Acceptor_Count	2
2883813	Undefined_Bond_Stereo_Count	0
26868	Structure_Complexity	331
129831062	Covalent_Unit_Count	1
14416477	XLogP3-AA	2.1
10034603	Tautomer_Count	1
3057	Molecular_Weight	478.6
970648	Total_Formal_Charge	0
802	Defined_Bond_Stereo_Count	0
72666	Defined_Atom_Stereo_Count	0
68760	Non-hydrogen_Atom_Count	20
774599	XLogP3-AA	2.7
10022	Exact_Mass	153.97934
144826028	Non-hydrogen_Atom_Count	8
48758	Rotatable_Bond_Count	3
71112644	Covalent_Unit_Count	1
15132	Isotope_Atom_Count	0
23680396	Undefined_Atom_Stereo_Count	2
16401027	Non-hydrogen_Atom_Count	20
12338093	Defined_Bond_Stereo_Count	0
114829	Exact_Mass	256.07355886
16051040	Covalent_Unit_Count	1
22754629	Hydrogen_Bond_Acceptor_Count	2
65681	Hydrogen_Bond_Acceptor_Count	3
97886	Defined_Atom_Stereo_Count	0
127053480	Isotope_Atom_Count	0
71300746	TPSA	121
19027501	Undefined_Atom_Stereo_Count	0
134693050	TPSA	272
638083	Covalent_Unit_Count	1
89274700	Structure_Complexity	110
22160808	Rotatable_Bond_Count	2
20498	Total_Formal_Charge	0
14803	Hydrogen_Bond_Acceptor_Count	2
67113727	Isotope_Atom_Count	0
23533634	Defined_Atom_Stereo_Count	0
803	Isotope_Atom_Count	0
34936	Mono_Isotopic_Weight	209.09127461
57504473	Non-hydrogen_Atom_Count	35
78284	Defined_Bond_Stereo_Count	0
148135776	Structure_Complexity	121
9244	XLogP3-AA	0.8
85922476	Molecular_Weight	110.15
7365	Covalent_Unit_Count	1
657306	Hydrogen_Bond_Acceptor_Count	4
79729	Hydrogen_Bond_Acceptor_Count	4
4628	Mono_Isotopic_Weight	261.06372245
5312108	Mono_Isotopic_Weight	821.075439
85960	Undefined_Bond_Stereo_Count	0
12867691	Hydrogen_Bond_Donor_Count	0
445127	Molecular_Weight	911.7
651720	Undefined_Atom_Stereo_Count	0
96563	Hydrogen_Bond_Acceptor_Count	8
13968540	Structure_Complexity	74.2
1574	XLogP3-AA	1.4
16721	XLogP3	2.3
11292	Total_Formal_Charge	0
10035228	Tautomer_Count	1
68203	Structure_Complexity	696
53828439	Defined_Bond_Stereo_Count	0
12262	Molecular_Weight	104.15
135445165	Mono_Isotopic_Weight	411.14705815
2201	Rotatable_Bond_Count	1
4205687	Rotatable_Bond_Count	1
132846	Total_Formal_Charge	0
71560537	Non-hydrogen_Atom_Count	18
17531	Hydrogen_Bond_Acceptor_Count	7
8289	Total_Formal_Charge	0
701186	Isotope_Atom_Count	0
12116	Hydrogen_Bond_Acceptor_Count	2
62773515	Mono_Isotopic_Weight	114.068079557
6917793	Molecular_Weight	408.5
3080653	Undefined_Atom_Stereo_Count	0
11466	TPSA	45.8
30973	Molecular_Weight	305.26
31225	XLogP3	2.8
20470942	Hydrogen_Bond_Acceptor_Count	2
54708748	XLogP3-AA	3.1
77048	Defined_Bond_Stereo_Count	0
4259	Mono_Isotopic_Weight	401.17508442
129738164	Structure_Complexity	684
60196333	Total_Formal_Charge	0
99472	Defined_Bond_Stereo_Count	0
5353370	Structure_Complexity	236
10444160	Mono_Isotopic_Weight	237.10010796
24705318	Exact_Mass	113.084063974
443944	Defined_Atom_Stereo_Count	4
13682918	Covalent_Unit_Count	1
141169621	Structure_Complexity	81.8
132277953	Defined_Atom_Stereo_Count	0
55288485	TPSA	52.9
14116454	Hydrogen_Bond_Acceptor_Count	2
44455404	Hydrogen_Bond_Donor_Count	3
6905	Rotatable_Bond_Count	0
31370	Mono_Isotopic_Weight	94.0185425
6450278	Undefined_Atom_Stereo_Count	0
12544	Defined_Atom_Stereo_Count	10
3659	Undefined_Atom_Stereo_Count	16
18787	Mono_Isotopic_Weight	226.110613074
311438	Undefined_Bond_Stereo_Count	0
386	Molecular_Weight	1062.1
94865125	Defined_Atom_Stereo_Count	16
9802673	Tautomer_Count	1
69204	Undefined_Atom_Stereo_Count	0
9967941	Mono_Isotopic_Weight	343.17969569
102590130	Total_Formal_Charge	0
25457	Hydrogen_Bond_Acceptor_Count	3
11587	Rotatable_Bond_Count	2
24458	Mono_Isotopic_Weight	125.872641
4468	XLogP3-AA	0.8
8742	Rotatable_Bond_Count	1
148546155	TPSA	64.9
656604	Undefined_Bond_Stereo_Count	0
658645	Defined_Bond_Stereo_Count	0
95770	Total_Formal_Charge	0
45073437	Hydrogen_Bond_Acceptor_Count	2
11677589	Covalent_Unit_Count	1
69332648	Exact_Mass	112.063662883
8222	Structure_Complexity	132
10785	Hydrogen_Bond_Donor_Count	1
699222	TPSA	77
89055	Non-hydrogen_Atom_Count	13
71835	Molecular_Weight	263.12
162247	Undefined_Atom_Stereo_Count	0
9464	TPSA	29.1
11750474	Exact_Mass	419.04081729
11458	Defined_Bond_Stereo_Count	0
9812414	TPSA	365
40411	Exact_Mass	242.09027155
28332	Non-hydrogen_Atom_Count	39
136898365	Isotope_Atom_Count	1
2164	Non-hydrogen_Atom_Count	16
5311027	Structure_Complexity	541
76321	Rotatable_Bond_Count	2
14094187	Undefined_Bond_Stereo_Count	0
147004	Defined_Atom_Stereo_Count	1
3775	Defined_Atom_Stereo_Count	0
92	Isotope_Atom_Count	0
701745	Covalent_Unit_Count	1
65477	Defined_Bond_Stereo_Count	0
779642	Defined_Atom_Stereo_Count	0
4783	Rotatable_Bond_Count	10
61691030	Total_Formal_Charge	0
1123	Defined_Atom_Stereo_Count	0
676030	Covalent_Unit_Count	1
26721	Defined_Bond_Stereo_Count	0
15070	Covalent_Unit_Count	1
2813282	Defined_Atom_Stereo_Count	0
57079767	Undefined_Bond_Stereo_Count	0
7135	Hydrogen_Bond_Acceptor_Count	2
75645	Undefined_Atom_Stereo_Count	0
67542	Isotope_Atom_Count	0
13087010	Mono_Isotopic_Weight	332.23514488
52946545	Defined_Atom_Stereo_Count	1
40472	Hydrogen_Bond_Donor_Count	0
66169	Hydrogen_Bond_Acceptor_Count	2
12811926	Total_Formal_Charge	0
12207545	Structure_Complexity	75.4
14794987	Rotatable_Bond_Count	1
31170	Defined_Bond_Stereo_Count	0
53373584	Total_Formal_Charge	0
102503760	TPSA	231
101988841	Hydrogen_Bond_Acceptor_Count	0
67420384	TPSA	38.1
16421	Hydrogen_Bond_Donor_Count	0
30822	XLogP3-AA	2.2
11971580	Defined_Atom_Stereo_Count	0
10746	Undefined_Atom_Stereo_Count	2
237766	Non-hydrogen_Atom_Count	19
8317	Exact_Mass	456.115029749
908	Covalent_Unit_Count	1
155346	Isotope_Atom_Count	0
9331	Defined_Atom_Stereo_Count	0
23695850	Isotope_Atom_Count	0
7982	Undefined_Atom_Stereo_Count	0
17531	Exact_Mass	345.03707073
63784	Non-hydrogen_Atom_Count	22
317678	Defined_Atom_Stereo_Count	0
5312137	Hydrogen_Bond_Donor_Count	2
219025	Total_Formal_Charge	0
14546681	Undefined_Atom_Stereo_Count	0
78607	Undefined_Bond_Stereo_Count	0
54236240	Undefined_Bond_Stereo_Count	0
70981	Isotope_Atom_Count	0
56963	Defined_Atom_Stereo_Count	0
10034991	Exact_Mass	168.078644241
5280953	Hydrogen_Bond_Donor_Count	1
71563	Defined_Bond_Stereo_Count	0
1720	Hydrogen_Bond_Acceptor_Count	3
659009	Defined_Atom_Stereo_Count	0
7201	Mono_Isotopic_Weight	135.104799419
67630	Hydrogen_Bond_Acceptor_Count	5
73720	Undefined_Atom_Stereo_Count	0
7183	Total_Formal_Charge	0
10180201	Covalent_Unit_Count	1
5169	Covalent_Unit_Count	1
12268510	Undefined_Bond_Stereo_Count	0
721	Covalent_Unit_Count	1
16213080	Rotatable_Bond_Count	5
12899069	Isotope_Atom_Count	0
566685	Total_Formal_Charge	0
6602308	Rotatable_Bond_Count	11
44455116	Non-hydrogen_Atom_Count	26
4478	Isotope_Atom_Count	0
156232885	Hydrogen_Bond_Acceptor_Count	12
101130	Rotatable_Bond_Count	0
6338	XLogP3-AA	1.5
22833454	Molecular_Weight	199.38
15411	Non-hydrogen_Atom_Count	8
31209	Total_Formal_Charge	0
59939847	Undefined_Bond_Stereo_Count	0
129009973	Structure_Complexity	609
3516	Undefined_Bond_Stereo_Count	0
148931549	Total_Formal_Charge	0
42095	Isotope_Atom_Count	0
5460570	Undefined_Bond_Stereo_Count	0
10193369	Total_Formal_Charge	0
9153	Undefined_Bond_Stereo_Count	0
2216	Structure_Complexity	247
7274	Hydrogen_Bond_Acceptor_Count	2
12301251	Total_Formal_Charge	0
9952916	Undefined_Bond_Stereo_Count	0
78361	Defined_Bond_Stereo_Count	0
67683363	Isotope_Atom_Count	0
22459	XLogP3-AA	0
10799	Hydrogen_Bond_Acceptor_Count	6
11954310	Exact_Mass	452.32904526
58599	Tautomer_Count	2
55067	Rotatable_Bond_Count	0
656917	Defined_Bond_Stereo_Count	0
43436578	Total_Formal_Charge	0
15025	Hydrogen_Bond_Acceptor_Count	14
6992020	Hydrogen_Bond_Donor_Count	0
5352693	Mono_Isotopic_Weight	180.01011390
9819610	Defined_Bond_Stereo_Count	0
15433	Hydrogen_Bond_Acceptor_Count	1
539121	Molecular_Weight	228.33
3538	Structure_Complexity	482
117072582	Undefined_Atom_Stereo_Count	1
4914	TPSA	55.6
11154711	Mono_Isotopic_Weight	432.08136409
57357013	Hydrogen_Bond_Donor_Count	1
79577129	TPSA	46.5
57560	Defined_Atom_Stereo_Count	0
192275	Hydrogen_Bond_Acceptor_Count	5
465951	Hydrogen_Bond_Donor_Count	1
321054	Defined_Bond_Stereo_Count	0
177865	Rotatable_Bond_Count	4
23983765	Hydrogen_Bond_Acceptor_Count	3
60195903	Hydrogen_Bond_Acceptor_Count	4
14298876	Molecular_Weight	86.14
3206	Hydrogen_Bond_Donor_Count	2
6539985	Defined_Bond_Stereo_Count	0
7841	Hydrogen_Bond_Acceptor_Count	0
11625778	Undefined_Atom_Stereo_Count	0
23968	Hydrogen_Bond_Donor_Count	0
1999	Defined_Atom_Stereo_Count	0
70143	Isotope_Atom_Count	0
162955686	Total_Formal_Charge	0
1516	Isotope_Atom_Count	0
3485	Exact_Mass	100.052429494
60150330	Total_Formal_Charge	0
9548602	Hydrogen_Bond_Acceptor_Count	6
10192564	Defined_Atom_Stereo_Count	0
54177139	Undefined_Atom_Stereo_Count	0
53967	Hydrogen_Bond_Acceptor_Count	3
1333	Non-hydrogen_Atom_Count	16
12959020	Rotatable_Bond_Count	0
66251	Tautomer_Count	1
349711	Hydrogen_Bond_Acceptor_Count	3
8168	Isotope_Atom_Count	0
314284	Mono_Isotopic_Weight	102.068079557
49864536	Rotatable_Bond_Count	6
219522	Hydrogen_Bond_Donor_Count	0
48011	Exact_Mass	598.2266172
131414	Defined_Bond_Stereo_Count	0
66602654	XLogP3-AA	0
10217	Molecular_Weight	337.4
12076	Undefined_Bond_Stereo_Count	0
74219	Total_Formal_Charge	0
94972	Defined_Atom_Stereo_Count	0
529268	Non-hydrogen_Atom_Count	8
72200038	Defined_Bond_Stereo_Count	0
86138	XLogP3	3.2
10145345	Total_Formal_Charge	0
541483	Hydrogen_Bond_Acceptor_Count	1
20656311	Isotope_Atom_Count	0
6917949	Non-hydrogen_Atom_Count	77
7525	Mono_Isotopic_Weight	115.099714038
54760130	Exact_Mass	352.16477390
28532	Isotope_Atom_Count	0
643681	Hydrogen_Bond_Donor_Count	0
5388937	XLogP3-AA	4.2
5288706	Exact_Mass	485.27536898
83938	Total_Formal_Charge	0
2999413	Non-hydrogen_Atom_Count	23
65790	Defined_Atom_Stereo_Count	0
76590	Isotope_Atom_Count	0
105426980	Covalent_Unit_Count	1
135499741	Hydrogen_Bond_Donor_Count	2
42609799	Molecular_Weight	764.5
71196	Defined_Bond_Stereo_Count	0
60196404	Exact_Mass	636.240074
54688683	Hydrogen_Bond_Donor_Count	9
66561	Covalent_Unit_Count	1
9887867	Hydrogen_Bond_Acceptor_Count	2
6927	Hydrogen_Bond_Acceptor_Count	5
2101	Rotatable_Bond_Count	2
55434	Undefined_Atom_Stereo_Count	1
78032	Hydrogen_Bond_Acceptor_Count	7
7400	Tautomer_Count	1
31260	Isotope_Atom_Count	0
35758	Total_Formal_Charge	0
13589	Total_Formal_Charge	0
12036417	Defined_Atom_Stereo_Count	0
15256279	Exact_Mass	99.104799419
53723270	Hydrogen_Bond_Donor_Count	0
136843	Exact_Mass	167.094628657
31237	Defined_Atom_Stereo_Count	0
10290754	Defined_Bond_Stereo_Count	0
501254	XLogP3	0.7
74981	Undefined_Atom_Stereo_Count	0
3036	Exact_Mass	353.911739
54303301	Hydrogen_Bond_Donor_Count	0
9819043	Hydrogen_Bond_Donor_Count	4
12229743	Structure_Complexity	52.8
6432095	Hydrogen_Bond_Donor_Count	0
6440871	XLogP3-AA	1.6
11853779	Undefined_Bond_Stereo_Count	0
17151	Undefined_Bond_Stereo_Count	0
11768576	Covalent_Unit_Count	1
472	XLogP3-AA	1.1
31117	Molecular_Weight	283.4
76949	Hydrogen_Bond_Donor_Count	0
24266	Non-hydrogen_Atom_Count	7
5591	Undefined_Atom_Stereo_Count	2
14022519	Hydrogen_Bond_Donor_Count	4
517348	Mono_Isotopic_Weight	164.04419074
4099	Rotatable_Bond_Count	2
124226574	Defined_Bond_Stereo_Count	5
91825716	Hydrogen_Bond_Donor_Count	0
13104807	Rotatable_Bond_Count	2
21843641	TPSA	12
23700091	Molecular_Weight	224.30
11008865	Defined_Atom_Stereo_Count	2
24848222	Molecular_Weight	367.5
4502	TPSA	270
4735	Covalent_Unit_Count	1
150899	Undefined_Atom_Stereo_Count	0
16129681	Defined_Atom_Stereo_Count	0
