digraph G {
	rankdir=LR
	node [shape=box]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" -> 4 [label=0.000]
	5 [color=lightblue shape=rarrow style=filled]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C1=O" -> 8 [label=0.000]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" [color=aquamarine shape=box style=filled]
	1 -> "2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" [label=""]
	"3 | C#CC(C)(C)C" [color=lightyellow shape=box style=filled]
	1 -> "3 | C#CC(C)(C)C" [label=""]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" [color=aquamarine shape=box style=filled]
	2 -> "4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" [label=""]
	"5 | C#CC(C)(C)C" [color=lightyellow shape=box style=filled]
	2 -> "5 | C#CC(C)(C)C" [label=""]
	"6 | CC(C)(C)C#Cc1cc(Br)c(C(=O)O)s1" [color=lightyellow shape=box style=filled]
	3 -> "6 | CC(C)(C)C#Cc1cc(Br)c(C(=O)O)s1" [label=""]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=aquamarine shape=box style=filled]
	3 -> "7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"8 | CC(C)(C)C#Cc1cc(Cl)c(C(=O)O)s1" [color=lightblue shape=box style=filled]
	4 -> "8 | CC(C)(C)C#Cc1cc(Cl)c(C(=O)O)s1" [label=""]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=aquamarine shape=box style=filled]
	4 -> "9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"10 | CC(C)(C)C#Cc1ccc(C(=O)O)s1" [color=lightblue shape=box style=filled]
	5 -> "10 | CC(C)(C)C#Cc1ccc(C(=O)O)s1" [label=""]
	"11 | C[C@@H](O)CO" [color=lightyellow shape=box style=filled]
	5 -> "11 | C[C@@H](O)CO" [label=""]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" [color=lightblue shape=box style=filled]
	5 -> "12 | O=C1COC[C@@H](C2CCCCC2)N1" [label=""]
	"13 | C[C@@H](O)C(=O)[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	6 -> "13 | C[C@@H](O)C(=O)[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"14 | CC(C)(C)C#Cc1cc(Br)c(C(=O)O)s1" [color=lightyellow shape=box style=filled]
	6 -> "14 | CC(C)(C)C#Cc1cc(Br)c(C(=O)O)s1" [label=""]
	"15 | [C]#CC(C)(C)C" [color=lightgrey shape=box style=filled]
	7 -> "15 | [C]#CC(C)(C)C" [label=""]
	"16 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	7 -> "16 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"17 | O=C(O)c1s[c]cc1Br" [color=lightgrey shape=box style=filled]
	7 -> "17 | O=C(O)c1s[c]cc1Br" [label=""]
	"18 | O=C1COC[C@@H](C2CCCCC2)N1" [color=lightgrey shape=box style=filled]
	8 -> "18 | O=C1COC[C@@H](C2CCCCC2)N1" [label=""]
	"19 | CC(C)(C)C#Cc1cc(Br)c(C(=O)O)s1" [color=lightyellow shape=box style=filled]
	8 -> "19 | CC(C)(C)C#Cc1cc(Br)c(C(=O)O)s1" [label=""]
	"20 | CC(C)O" [color=lightyellow shape=box style=filled]
	8 -> "20 | CC(C)O" [label=""]
	9 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 10 [label=0.000]
	11 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Br)sc2C(=O)O)C1=O" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)N(c2cc(Cl)sc2C(=O)O)C1=O" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 37 [label=0.000]
	38 [color=lightblue shape=rarrow style=filled]
	"8 | CC(C)(C)C#Cc1cc(Cl)c(C(=O)O)s1" -> 38 [label=0.000]
	39 [color=lightblue shape=rarrow style=filled]
	"8 | CC(C)(C)C#Cc1cc(Cl)c(C(=O)O)s1" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)(C)C#Cc1cc(Cl)c(C(=O)O)s1" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" -> 49 [label=0.000]
	50 [color=lightblue shape=rarrow style=filled]
	"10 | CC(C)(C)C#Cc1ccc(C(=O)O)s1" -> 50 [label=0.000]
	51 [color=lightblue shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 53 [label=0.000]
	54 [color=lightblue shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 54 [label=0.000]
	55 [color=lightblue shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 56 [label=0.000]
	57 [color=lightblue shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 59 [label=0.000]
	60 [color=lightblue shape=rarrow style=filled]
	"12 | O=C1COC[C@@H](C2CCCCC2)N1" -> 60 [label=0.000]
	"21 | O=C(O)c1sc(Br)cc1Br" [color=lightyellow shape=box style=filled]
	9 -> "21 | O=C(O)c1sc(Br)cc1Br" [label=""]
	"22 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	9 -> "22 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"23 | C[C@@H](O)C[C@@H](OCC(=O)C1CCCCC1)C(=O)Nc1cc(Br)sc1C(=O)O" [color=lightgrey shape=box style=filled]
	10 -> "23 | C[C@@H](O)C[C@@H](OCC(=O)C1CCCCC1)C(=O)Nc1cc(Br)sc1C(=O)O" [label=""]
	"24 | Nc1cc(Br)sc1C(=O)O" [color=lightyellow shape=box style=filled]
	11 -> "24 | Nc1cc(Br)sc1C(=O)O" [label=""]
	"25 | C[C@@H](O)C[C@@H](OCCC1CCCCC1)C(=O)O" [color=lightgrey shape=box style=filled]
	11 -> "25 | C[C@@H](O)C[C@@H](OCCC1CCCCC1)C(=O)O" [label=""]
	"26 | [Mg+]C1CCCCC1" [color=lightyellow shape=box style=filled]
	12 -> "26 | [Mg+]C1CCCCC1" [label=""]
	"27 | C[C@@H](O)C[C@H]1OCCN(c2cc(Br)sc2C(=O)O)C1=O" [color=lightgrey shape=box style=filled]
	12 -> "27 | C[C@@H](O)C[C@H]1OCCN(c2cc(Br)sc2C(=O)O)C1=O" [label=""]
	"28 | C[C@@H](O)C[C@@H](OC[C@H](Nc1cc(Br)sc1C(=O)O)C1CCCCC1)C(=O)O" [color=lightgrey shape=box style=filled]
	13 -> "28 | C[C@@H](O)C[C@@H](OC[C@H](Nc1cc(Br)sc1C(=O)O)C1CCCCC1)C(=O)O" [label=""]
	"29 | O=C(O)c1sc(Br)cc1Cl" [color=lightyellow shape=box style=filled]
	14 -> "29 | O=C(O)c1sc(Br)cc1Cl" [label=""]
	"30 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	14 -> "30 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"31 | O=C(O)c1sc(Br)cc1Br" [color=lightyellow shape=box style=filled]
	15 -> "31 | O=C(O)c1sc(Br)cc1Br" [label=""]
	"32 | C[C@@H](O)C(=O)[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	15 -> "32 | C[C@@H](O)C(=O)[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"33 | O=C(O)c1sc(Br)cc1N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	16 -> "33 | O=C(O)c1sc(Br)cc1N[C@@H](CO)C1CCCCC1" [label=""]
	"34 | C[C@@H](O)CCC(=O)O" [color=lightgrey shape=box style=filled]
	16 -> "34 | C[C@@H](O)CCC(=O)O" [label=""]
	"35 | C[C@@H](O)C[C@@H](OC[C@H](O)C1CCCCC1)C(=O)Nc1cc(Br)sc1C(=O)O" [color=lightgrey shape=box style=filled]
	17 -> "35 | C[C@@H](O)C[C@@H](OC[C@H](O)C1CCCCC1)C(=O)Nc1cc(Br)sc1C(=O)O" [label=""]
	"36 | Nc1cc(Br)sc1C(=O)O" [color=lightyellow shape=box style=filled]
	18 -> "36 | Nc1cc(Br)sc1C(=O)O" [label=""]
	"37 | C[C@@H](O)C[C@@H](OCCC1CCCCC1)C(=O)O" [color=lightgrey shape=box style=filled]
	18 -> "37 | C[C@@H](O)C[C@@H](OCCC1CCCCC1)C(=O)O" [label=""]
	"38 | O=C(O)c1sc(Cl)cc1Br" [color=lightyellow shape=box style=filled]
	19 -> "38 | O=C(O)c1sc(Cl)cc1Br" [label=""]
	"39 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	19 -> "39 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"40 | O=C(O)c1sc(Cl)cc1Cl" [color=lightyellow shape=box style=filled]
	20 -> "40 | O=C(O)c1sc(Cl)cc1Cl" [label=""]
	"41 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	20 -> "41 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"42 | C[C@@H](O)C[C@@H](OCC(=O)C1CCCCC1)C(=O)Nc1cc(Cl)sc1C(=O)O" [color=lightgrey shape=box style=filled]
	21 -> "42 | C[C@@H](O)C[C@@H](OCC(=O)C1CCCCC1)C(=O)Nc1cc(Cl)sc1C(=O)O" [label=""]
	"43 | C[C@@H](O)CO" [color=lightyellow shape=box style=filled]
	22 -> "43 | C[C@@H](O)CO" [label=""]
	"44 | O=C1COC[C@@H](C2CCCCC2)N1" [color=lightgrey shape=box style=filled]
	22 -> "44 | O=C1COC[C@@H](C2CCCCC2)N1" [label=""]
	"45 | O=C(O)c1ccc(Cl)s1" [color=lightyellow shape=box style=filled]
	22 -> "45 | O=C(O)c1ccc(Cl)s1" [label=""]
	"46 | O=C(O)c1ccc(Cl)s1" [color=lightyellow shape=box style=filled]
	23 -> "46 | O=C(O)c1ccc(Cl)s1" [label=""]
	"47 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	23 -> "47 | O=C1CCC(=O)N1Br" [label=""]
	"48 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	23 -> "48 | C[C@@H](O)C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"49 | O=C(O)c1sc(Cl)cc1Br" [color=lightyellow shape=box style=filled]
	24 -> "49 | O=C(O)c1sc(Cl)cc1Br" [label=""]
	"50 | C[C@@H](O)C(=O)[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	24 -> "50 | C[C@@H](O)C(=O)[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"51 | Nc1cc(Cl)sc1C(=O)O" [color=lightyellow shape=box style=filled]
	25 -> "51 | Nc1cc(Cl)sc1C(=O)O" [label=""]
	"52 | C[C@@H](O)C[C@@H](OCCC1CCCCC1)C(=O)O" [color=lightgrey shape=box style=filled]
	25 -> "52 | C[C@@H](O)C[C@@H](OCCC1CCCCC1)C(=O)O" [label=""]
	"53 | C[C@@H](O)C=O" [color=lightgrey shape=box style=filled]
	26 -> "53 | C[C@@H](O)C=O" [label=""]
	"54 | O=C1COC[C@@H](C2CCCCC2)N1" [color=lightgrey shape=box style=filled]
	26 -> "54 | O=C1COC[C@@H](C2CCCCC2)N1" [label=""]
	"55 | O=C(O)c1ccc(Cl)s1" [color=lightyellow shape=box style=filled]
	26 -> "55 | O=C(O)c1ccc(Cl)s1" [label=""]
	"56 | C[C@@H](O)C[C@@H](OC[C@H](O)C1CCCCC1)C(=O)Nc1cc(Cl)sc1C(=O)O" [color=lightgrey shape=box style=filled]
	27 -> "56 | C[C@@H](O)C[C@@H](OC[C@H](O)C1CCCCC1)C(=O)Nc1cc(Cl)sc1C(=O)O" [label=""]
	"57 | [CH2][C@@H](C)O" [color=lightgrey shape=box style=filled]
	28 -> "57 | [CH2][C@@H](C)O" [label=""]
	"58 | O=C1[CH]OC[C@@H](C2CCCCC2)[N]1" [color=lightgrey shape=box style=filled]
	28 -> "58 | O=C1[CH]OC[C@@H](C2CCCCC2)[N]1" [label=""]
	"59 | O=C(O)c1[c]cc(Cl)s1" [color=lightgrey shape=box style=filled]
	28 -> "59 | O=C(O)c1[c]cc(Cl)s1" [label=""]
	"60 | C[C@@H](O)C[C@@H](OC[C@H](N)C1CCCCC1)C(=O)O" [color=lightgrey shape=box style=filled]
	29 -> "60 | C[C@@H](O)C[C@@H](OC[C@H](N)C1CCCCC1)C(=O)O" [label=""]
	"61 | C[C@@H](O)C[C@H]1OCCNC1=O" [color=lightgrey shape=box style=filled]
	30 -> "61 | C[C@@H](O)C[C@H]1OCCNC1=O" [label=""]
	"62 | [Mg+]C1CCCCC1" [color=lightyellow shape=box style=filled]
	30 -> "62 | [Mg+]C1CCCCC1" [label=""]
	"63 | C[C@@H](O)C[C@H](O)C(=O)N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	31 -> "63 | C[C@@H](O)C[C@H](O)C(=O)N[C@@H](CO)C1CCCCC1" [label=""]
	"64 | C[C@@H](O)CO" [color=lightyellow shape=box style=filled]
	32 -> "64 | C[C@@H](O)CO" [label=""]
	"65 | O=C1COC[C@@H](C2CCCCC2)N1" [color=lightgrey shape=box style=filled]
	32 -> "65 | O=C1COC[C@@H](C2CCCCC2)N1" [label=""]
	"66 | C[C@@H](O)CC(=O)C(=O)N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	33 -> "66 | C[C@@H](O)CC(=O)C(=O)N[C@@H](CO)C1CCCCC1" [label=""]
	"67 | C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	34 -> "67 | C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"68 | CC(=O)O" [color=lightyellow shape=box style=filled]
	34 -> "68 | CC(=O)O" [label=""]
	"69 | N[C@@H](CO)C1CCCCC1" [color=lightyellow shape=box style=filled]
	35 -> "69 | N[C@@H](CO)C1CCCCC1" [label=""]
	"70 | C[C@@H](O)CCC(=O)O" [color=lightgrey shape=box style=filled]
	35 -> "70 | C[C@@H](O)CCC(=O)O" [label=""]
	"71 | C[C@@H](O)C(O)CC(=O)N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	36 -> "71 | C[C@@H](O)C(O)CC(=O)N[C@@H](CO)C1CCCCC1" [label=""]
	"72 | C[C@@H](O)C=O" [color=lightgrey shape=box style=filled]
	37 -> "72 | C[C@@H](O)C=O" [label=""]
	"73 | O=C1COC[C@@H](C2CCCCC2)N1" [color=lightgrey shape=box style=filled]
	37 -> "73 | O=C1COC[C@@H](C2CCCCC2)N1" [label=""]
	"74 | O=C(O)c1sc(Br)cc1Cl" [color=lightyellow shape=box style=filled]
	38 -> "74 | O=C(O)c1sc(Br)cc1Cl" [label=""]
	"75 | C#CC(C)(C)C" [color=lightyellow shape=box style=filled]
	38 -> "75 | C#CC(C)(C)C" [label=""]
	"76 | O=C(O)c1sc(Cl)cc1Cl" [color=lightyellow shape=box style=filled]
	39 -> "76 | O=C(O)c1sc(Cl)cc1Cl" [label=""]
	"77 | C#CC(C)(C)C" [color=lightyellow shape=box style=filled]
	39 -> "77 | C#CC(C)(C)C" [label=""]
	"78 | CCO[P](C)=O" [color=lightgrey shape=box style=filled]
	40 -> "78 | CCO[P](C)=O" [label=""]
	"79 | O=C(O)c1sc(Br)cc1Cl" [color=lightyellow shape=box style=filled]
	40 -> "79 | O=C(O)c1sc(Br)cc1Cl" [label=""]
	"80 | CC(C)(C)C=O" [color=lightyellow shape=box style=filled]
	40 -> "80 | CC(C)(C)C=O" [label=""]
	"81 | OO" [color=lightyellow shape=box style=filled]
	40 -> "81 | OO" [label=""]
	"82 | CCO" [color=lightyellow shape=box style=filled]
	40 -> "82 | CCO" [label=""]
	"83 | C[C@@H](O)C[C@@H](OC[C@H](N)C1CCCCC1)C(=O)O" [color=lightgrey shape=box style=filled]
	41 -> "83 | C[C@@H](O)C[C@@H](OC[C@H](N)C1CCCCC1)C(=O)O" [label=""]
	"84 | C[C@@H](O)C[C@H]1OCCNC1=O" [color=lightgrey shape=box style=filled]
	42 -> "84 | C[C@@H](O)C[C@H]1OCCNC1=O" [label=""]
	"85 | [Mg+]C1CCCCC1" [color=lightyellow shape=box style=filled]
	42 -> "85 | [Mg+]C1CCCCC1" [label=""]
	"86 | C[C@@H](O)C[C@H](O)C(=O)N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	43 -> "86 | C[C@@H](O)C[C@H](O)C(=O)N[C@@H](CO)C1CCCCC1" [label=""]
	"87 | C[C@@H](O)CO" [color=lightyellow shape=box style=filled]
	44 -> "87 | C[C@@H](O)CO" [label=""]
	"88 | O=C1COC[C@@H](C2CCCCC2)N1" [color=lightgrey shape=box style=filled]
	44 -> "88 | O=C1COC[C@@H](C2CCCCC2)N1" [label=""]
	"89 | C[C@@H](O)CC(=O)C(=O)N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	45 -> "89 | C[C@@H](O)CC(=O)C(=O)N[C@@H](CO)C1CCCCC1" [label=""]
	"90 | C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [color=lightgrey shape=box style=filled]
	46 -> "90 | C[C@H]1OC[C@@H](C2CCCCC2)NC1=O" [label=""]
	"91 | CC(=O)O" [color=lightyellow shape=box style=filled]
	46 -> "91 | CC(=O)O" [label=""]
	"92 | N[C@@H](CO)C1CCCCC1" [color=lightyellow shape=box style=filled]
	47 -> "92 | N[C@@H](CO)C1CCCCC1" [label=""]
	"93 | C[C@@H](O)CCC(=O)O" [color=lightgrey shape=box style=filled]
	47 -> "93 | C[C@@H](O)CCC(=O)O" [label=""]
	"94 | C[C@@H](O)C(O)CC(=O)N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	48 -> "94 | C[C@@H](O)C(O)CC(=O)N[C@@H](CO)C1CCCCC1" [label=""]
	"95 | C[C@@H](O)C=O" [color=lightgrey shape=box style=filled]
	49 -> "95 | C[C@@H](O)C=O" [label=""]
	"96 | O=C1COC[C@@H](C2CCCCC2)N1" [color=lightgrey shape=box style=filled]
	49 -> "96 | O=C1COC[C@@H](C2CCCCC2)N1" [label=""]
	"97 | O=C(O)c1ccc(Br)s1" [color=lightyellow shape=box style=filled]
	50 -> "97 | O=C(O)c1ccc(Br)s1" [label=""]
	"98 | C#CC(C)(C)C" [color=lightyellow shape=box style=filled]
	50 -> "98 | C#CC(C)(C)C" [label=""]
	"99 | [Mg+]C1CCCCC1" [color=lightyellow shape=box style=filled]
	51 -> "99 | [Mg+]C1CCCCC1" [label=""]
	"100 | O=C1COCCN1" [color=lightyellow shape=box style=filled]
	51 -> "100 | O=C1COCCN1" [label=""]
	"101 | N[C@@H](COCC(=O)O)C1CCCCC1" [color=lightgrey shape=box style=filled]
	52 -> "101 | N[C@@H](COCC(=O)O)C1CCCCC1" [label=""]
	"102 | NC(=O)COCC(=O)C1CCCCC1" [color=lightgrey shape=box style=filled]
	53 -> "102 | NC(=O)COCC(=O)C1CCCCC1" [label=""]
	"103 | BrC1CCCCC1" [color=lightyellow shape=box style=filled]
	54 -> "103 | BrC1CCCCC1" [label=""]
	"104 | O=C1COCCN1" [color=lightyellow shape=box style=filled]
	54 -> "104 | O=C1COCCN1" [label=""]
	"105 | O=C1CCCCC1" [color=lightyellow shape=box style=filled]
	55 -> "105 | O=C1CCCCC1" [label=""]
	"106 | O=C1COCCN1" [color=lightyellow shape=box style=filled]
	55 -> "106 | O=C1COCCN1" [label=""]
	"107 | O=C(CCl)N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	56 -> "107 | O=C(CCl)N[C@@H](CO)C1CCCCC1" [label=""]
	"108 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	57 -> "108 | CC(=O)Cl" [label=""]
	"109 | N[C@@H](CO)C1CCCCC1" [color=lightyellow shape=box style=filled]
	57 -> "109 | N[C@@H](CO)C1CCCCC1" [label=""]
	"110 | O=C(CBr)N[C@@H](CO)C1CCCCC1" [color=lightgrey shape=box style=filled]
	58 -> "110 | O=C(CBr)N[C@@H](CO)C1CCCCC1" [label=""]
	"111 | CCOP(=O)(OCC)C1CCCCC1" [color=lightgrey shape=box style=filled]
	59 -> "111 | CCOP(=O)(OCC)C1CCCCC1" [label=""]
	"112 | O=C1COCCN1" [color=lightyellow shape=box style=filled]
	59 -> "112 | O=C1COCCN1" [label=""]
	"113 | ClC1CCCCC1" [color=lightyellow shape=box style=filled]
	60 -> "113 | ClC1CCCCC1" [label=""]
	"114 | O=C1COCCN1" [color=lightyellow shape=box style=filled]
	60 -> "114 | O=C1COCCN1" [label=""]
}
