digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(C)C)n[nH]c2-3)C(=O)O1" -> 10 [label=0.000]
	"2 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightblue shape=box style=filled]
	1 -> "2 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" [color=lightblue shape=box style=filled]
	1 -> "3 | CC(=O)NC[C@H]1CNC(=O)O1" [label=""]
	"4 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" [color=aquamarine shape=box style=filled]
	2 -> "4 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" [label=""]
	"5 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	2 -> "5 | CC(=O)Cl" [label=""]
	"6 | CC(C)Br" [color=lightyellow shape=box style=filled]
	3 -> "6 | CC(C)Br" [label=""]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [color=aquamarine shape=box style=filled]
	3 -> "7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [label=""]
	"8 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" [color=aquamarine shape=box style=filled]
	4 -> "8 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" [label=""]
	"9 | CC(=O)O" [color=lightyellow shape=box style=filled]
	4 -> "9 | CC(=O)O" [label=""]
	"10 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CO)OC3=O)ccc1-2" [color=aquamarine shape=box style=filled]
	5 -> "10 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CO)OC3=O)ccc1-2" [label=""]
	"11 | CC(N)=O" [color=lightyellow shape=box style=filled]
	5 -> "11 | CC(N)=O" [label=""]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" [color=aquamarine shape=box style=filled]
	6 -> "12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" [label=""]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" [color=aquamarine shape=box style=filled]
	7 -> "13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" [label=""]
	"14 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](C=O)OC3=O)ccc1-2" [color=aquamarine shape=box style=filled]
	8 -> "14 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](C=O)OC3=O)ccc1-2" [label=""]
	"15 | CC(N)=O" [color=lightyellow shape=box style=filled]
	8 -> "15 | CC(N)=O" [label=""]
	"16 | O=C1NC[C@H](CO)O1" [color=lightyellow shape=box style=filled]
	9 -> "16 | O=C1NC[C@H](CO)O1" [label=""]
	"17 | CC(N)=O" [color=lightyellow shape=box style=filled]
	9 -> "17 | CC(N)=O" [label=""]
	"18 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=aquamarine shape=box style=filled]
	9 -> "18 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"19 | CC(=O)NC[C@@H](CO)OC=O" [color=lightblue shape=box style=filled]
	10 -> "19 | CC(=O)NC[C@@H](CO)OC=O" [label=""]
	"20 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=aquamarine shape=box style=filled]
	10 -> "20 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	11 [color=lightblue shape=rarrow style=filled]
	"2 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" -> 13 [label=0.000]
	14 [color=lightblue shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 14 [label=0.000]
	15 [color=lightblue shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 15 [label=0.000]
	16 [color=lightblue shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 19 [label=0.000]
	20 [color=lightblue shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)NC[C@H]1CNC(=O)O1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"4 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"7 | CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"8 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CN)OC3=O)ccc1-2" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CO)OC3=O)ccc1-2" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CO)OC3=O)ccc1-2" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CO)OC3=O)ccc1-2" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CO)OC3=O)ccc1-2" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CO)OC3=O)ccc1-2" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"10 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](CO)OC3=O)ccc1-2" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"12 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)O" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2)OC(=O)Cl" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](C=O)OC3=O)ccc1-2" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](C=O)OC3=O)ccc1-2" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](C=O)OC3=O)ccc1-2" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"14 | CC(C)c1n[nH]c2c1CCCc1cc(N3C[C@H](C=O)OC3=O)ccc1-2" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"18 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"18 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"18 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 82 [label=0.000]
	83 [color=lightblue shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 83 [label=0.000]
	84 [color=lightblue shape=rarrow style=filled]
	"19 | CC(=O)NC[C@@H](CO)OC=O" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" -> 87 [label=0.000]
	"21 | CC(C)Br" [color=lightyellow shape=box style=filled]
	11 -> "21 | CC(C)Br" [label=""]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightblue shape=box style=filled]
	11 -> "22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"23 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [color=lightgrey shape=box style=filled]
	12 -> "23 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [label=""]
	"24 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	12 -> "24 | O=C1CCC(=O)N1Br" [label=""]
	"25 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	13 -> "25 | O=C(Cl)Cl" [label=""]
	"26 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	13 -> "26 | O=C1CCC(=O)N1Cl" [label=""]
	"27 | CC(=O)c1n[nH]c2c1CCC(=O)c1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	13 -> "27 | CC(=O)c1n[nH]c2c1CCC(=O)c1cc(Br)ccc1-2" [label=""]
	"28 | NC[C@H]1CNC(=O)O1" [color=lightyellow shape=box style=filled]
	14 -> "28 | NC[C@H]1CNC(=O)O1" [label=""]
	"29 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	14 -> "29 | CC(=O)Cl" [label=""]
	"30 | O=C1NC[C@H](CO)O1" [color=lightyellow shape=box style=filled]
	15 -> "30 | O=C1NC[C@H](CO)O1" [label=""]
	"31 | CC(N)=O" [color=lightyellow shape=box style=filled]
	15 -> "31 | CC(N)=O" [label=""]
	"32 | CC(=O)O" [color=lightyellow shape=box style=filled]
	16 -> "32 | CC(=O)O" [label=""]
	"33 | NC[C@H]1CNC(=O)O1" [color=lightyellow shape=box style=filled]
	16 -> "33 | NC[C@H]1CNC(=O)O1" [label=""]
	"34 | O=C[C@H]1CNC(=O)O1" [color=lightgrey shape=box style=filled]
	17 -> "34 | O=C[C@H]1CNC(=O)O1" [label=""]
	"35 | CC(N)=O" [color=lightyellow shape=box style=filled]
	17 -> "35 | CC(N)=O" [label=""]
	"36 | O=C1NC[C@H](CBr)O1" [color=lightgrey shape=box style=filled]
	18 -> "36 | O=C1NC[C@H](CBr)O1" [label=""]
	"37 | CC(N)=O" [color=lightyellow shape=box style=filled]
	18 -> "37 | CC(N)=O" [label=""]
	"38 | CC(=O)NC[C@@H](CN)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	19 -> "38 | CC(=O)NC[C@@H](CN)OC(=O)Cl" [label=""]
	"39 | CO" [color=lightyellow shape=box style=filled]
	20 -> "39 | CO" [label=""]
	"40 | O=C1NCCO1" [color=lightyellow shape=box style=filled]
	20 -> "40 | O=C1NCCO1" [label=""]
	"41 | CC(N)=O" [color=lightyellow shape=box style=filled]
	20 -> "41 | CC(N)=O" [label=""]
	"42 | CC(=O)NC[C@@H](CN)OC(=O)O" [color=lightgrey shape=box style=filled]
	21 -> "42 | CC(=O)NC[C@@H](CN)OC(=O)O" [label=""]
	"43 | CC(N)=O" [color=lightyellow shape=box style=filled]
	22 -> "43 | CC(N)=O" [label=""]
	"44 | O=C1NC[C@H](CI)O1" [color=lightgrey shape=box style=filled]
	22 -> "44 | O=C1NC[C@H](CI)O1" [label=""]
	"45 | O=C1NC[C@H](C(=O)O)O1" [color=lightgrey shape=box style=filled]
	23 -> "45 | O=C1NC[C@H](C(=O)O)O1" [label=""]
	"46 | CC(N)=O" [color=lightyellow shape=box style=filled]
	23 -> "46 | CC(N)=O" [label=""]
	"47 | NC[C@H]1CNC(=O)O1" [color=lightyellow shape=box style=filled]
	24 -> "47 | NC[C@H]1CNC(=O)O1" [label=""]
	"48 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	24 -> "48 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"49 | CC(C)Br" [color=lightyellow shape=box style=filled]
	25 -> "49 | CC(C)Br" [label=""]
	"50 | NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [color=lightgrey shape=box style=filled]
	25 -> "50 | NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [label=""]
	"51 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [color=lightgrey shape=box style=filled]
	26 -> "51 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [label=""]
	"52 | CC(C)(C)OC(=O)NC[C@H]1CNC(=O)O1" [color=lightgrey shape=box style=filled]
	26 -> "52 | CC(C)(C)OC(=O)NC[C@H]1CNC(=O)O1" [label=""]
	"53 | NC(=O)C(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	27 -> "53 | NC(=O)C(=O)CNC(=O)O" [label=""]
	"54 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	27 -> "54 | O=C1CCC(=O)N1Br" [label=""]
	"55 | CC(C)C1=N[N+](=O)C2=C1CCCc1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	27 -> "55 | CC(C)C1=N[N+](=O)C2=C1CCCc1cc(Br)ccc12" [label=""]
	"56 | CC(=O)NC[C@H]1CNC(=O)O1" [color=lightgrey shape=box style=filled]
	28 -> "56 | CC(=O)NC[C@H]1CNC(=O)O1" [label=""]
	"57 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	28 -> "57 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"58 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	29 -> "58 | CC(=O)Cl" [label=""]
	"59 | NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [color=lightgrey shape=box style=filled]
	29 -> "59 | NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [label=""]
	"60 | CC(=O)O" [color=lightyellow shape=box style=filled]
	30 -> "60 | CC(=O)O" [label=""]
	"61 | NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [color=lightgrey shape=box style=filled]
	30 -> "61 | NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [label=""]
	"62 | O=C1O[C@@H](CO)CN1c1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	31 -> "62 | O=C1O[C@@H](CO)CN1c1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"63 | CC(N)=O" [color=lightyellow shape=box style=filled]
	31 -> "63 | CC(N)=O" [label=""]
	"64 | O=C[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [color=lightgrey shape=box style=filled]
	32 -> "64 | O=C[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [label=""]
	"65 | CC(N)=O" [color=lightyellow shape=box style=filled]
	32 -> "65 | CC(N)=O" [label=""]
	"66 | O=C1NC[C@H](CO)O1" [color=lightyellow shape=box style=filled]
	33 -> "66 | O=C1NC[C@H](CO)O1" [label=""]
	"67 | CC(N)=O" [color=lightyellow shape=box style=filled]
	33 -> "67 | CC(N)=O" [label=""]
	"68 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	33 -> "68 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"69 | [c]1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	34 -> "69 | [c]1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"70 | CC(N)=O" [color=lightyellow shape=box style=filled]
	34 -> "70 | CC(N)=O" [label=""]
	"71 | O=C1[N]C[C@H](CO)O1" [color=lightgrey shape=box style=filled]
	34 -> "71 | O=C1[N]C[C@H](CO)O1" [label=""]
	"72 | O=C1NC[C@H](CO)O1" [color=lightyellow shape=box style=filled]
	35 -> "72 | O=C1NC[C@H](CO)O1" [label=""]
	"73 | Clc1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	35 -> "73 | Clc1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"74 | CC(N)=O" [color=lightyellow shape=box style=filled]
	35 -> "74 | CC(N)=O" [label=""]
	"75 | O=C(O)[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [color=lightgrey shape=box style=filled]
	36 -> "75 | O=C(O)[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [label=""]
	"76 | CC(N)=O" [color=lightyellow shape=box style=filled]
	36 -> "76 | CC(N)=O" [label=""]
	"77 | O=C1NC[C@H](CO)O1" [color=lightyellow shape=box style=filled]
	37 -> "77 | O=C1NC[C@H](CO)O1" [label=""]
	"78 | OB(O)c1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	37 -> "78 | OB(O)c1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"79 | CC(N)=O" [color=lightyellow shape=box style=filled]
	37 -> "79 | CC(N)=O" [label=""]
	"80 | NC[C@H]1CNC(=O)O1" [color=lightyellow shape=box style=filled]
	38 -> "80 | NC[C@H]1CNC(=O)O1" [label=""]
	"81 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	38 -> "81 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"82 | CC(C)Br" [color=lightyellow shape=box style=filled]
	39 -> "82 | CC(C)Br" [label=""]
	"83 | NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [color=lightgrey shape=box style=filled]
	39 -> "83 | NC[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [label=""]
	"84 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [color=lightgrey shape=box style=filled]
	40 -> "84 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [label=""]
	"85 | CC(C)(C)OC(=O)NC[C@H]1CNC(=O)O1" [color=lightgrey shape=box style=filled]
	40 -> "85 | CC(C)(C)OC(=O)NC[C@H]1CNC(=O)O1" [label=""]
	"86 | NC(=O)C(=O)CNC(=O)O" [color=lightgrey shape=box style=filled]
	41 -> "86 | NC(=O)C(=O)CNC(=O)O" [label=""]
	"87 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	41 -> "87 | O=C1CCC(=O)N1Br" [label=""]
	"88 | CC(C)C1=N[N+](=O)C2=C1CCCc1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	41 -> "88 | CC(C)C1=N[N+](=O)C2=C1CCCc1cc(Br)ccc12" [label=""]
	"89 | CC(C)Br" [color=lightyellow shape=box style=filled]
	42 -> "89 | CC(C)Br" [label=""]
	"90 | O=C1O[C@@H](CO)CN1c1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	42 -> "90 | O=C1O[C@@H](CO)CN1c1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"91 | O=C1NC[C@H](CO)O1" [color=lightyellow shape=box style=filled]
	43 -> "91 | O=C1NC[C@H](CO)O1" [label=""]
	"92 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	43 -> "92 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"93 | CC(C)c1n[nH]c2c1CCCc1cc(B(O)O)ccc1-2" [color=lightgrey shape=box style=filled]
	44 -> "93 | CC(C)c1n[nH]c2c1CCCc1cc(B(O)O)ccc1-2" [label=""]
	"94 | O=C1NC[C@H](CO)O1" [color=lightyellow shape=box style=filled]
	44 -> "94 | O=C1NC[C@H](CO)O1" [label=""]
	"95 | CC(C)(C)OC(=O)C(O)[C@H]1CNC(=O)O1" [color=lightgrey shape=box style=filled]
	45 -> "95 | CC(C)(C)OC(=O)C(O)[C@H]1CNC(=O)O1" [label=""]
	"96 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [color=lightgrey shape=box style=filled]
	45 -> "96 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [label=""]
	"97 | CC(C)(C)OC(=O)C(O)[C@H]1CNC(=O)O1" [color=lightgrey shape=box style=filled]
	46 -> "97 | CC(C)(C)OC(=O)C(O)[C@H]1CNC(=O)O1" [label=""]
	"98 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	46 -> "98 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"99 | CC(CBr)c1n[nH]c2c1C(=O)CCc1c(Br)ccc(Cl)c1-2" [color=lightgrey shape=box style=filled]
	47 -> "99 | CC(CBr)c1n[nH]c2c1C(=O)CCc1c(Br)ccc(Cl)c1-2" [label=""]
	"100 | O=C[Br+]Cl" [color=lightgrey shape=box style=filled]
	47 -> "100 | O=C[Br+]Cl" [label=""]
	"101 | O=C1NCCO1" [color=lightyellow shape=box style=filled]
	47 -> "101 | O=C1NCCO1" [label=""]
	"102 | CC(=O)NC[C@@H](CN)OC(=O)O" [color=lightgrey shape=box style=filled]
	48 -> "102 | CC(=O)NC[C@@H](CN)OC(=O)O" [label=""]
	"103 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	48 -> "103 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"104 | CC(=O)NC[C@@H](CO)OC(=O)O" [color=lightgrey shape=box style=filled]
	49 -> "104 | CC(=O)NC[C@@H](CO)OC(=O)O" [label=""]
	"105 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	49 -> "105 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"106 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1cn[nH]c1-2)OC(=O)O" [color=lightgrey shape=box style=filled]
	50 -> "106 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1cn[nH]c1-2)OC(=O)O" [label=""]
	"107 | CC(C)Br" [color=lightyellow shape=box style=filled]
	50 -> "107 | CC(C)Br" [label=""]
	"108 | CC(C)c1n[nH]c2c1CCCc1cc(NC[C@H](CN)OC(=O)O)ccc1-2" [color=lightgrey shape=box style=filled]
	51 -> "108 | CC(C)c1n[nH]c2c1CCCc1cc(NC[C@H](CN)OC(=O)O)ccc1-2" [label=""]
	"109 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	51 -> "109 | CC(=O)Cl" [label=""]
	"110 | CC(=O)NC[C@@H](CBr)OC(=O)O" [color=lightgrey shape=box style=filled]
	52 -> "110 | CC(=O)NC[C@@H](CBr)OC(=O)O" [label=""]
	"111 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	52 -> "111 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"112 | CC(=O)NC[C@@H](C=O)OC(=O)O" [color=lightgrey shape=box style=filled]
	53 -> "112 | CC(=O)NC[C@@H](C=O)OC(=O)O" [label=""]
	"113 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	53 -> "113 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"114 | CC(=O)NC[C@@H](CCl)OC(=O)O" [color=lightgrey shape=box style=filled]
	54 -> "114 | CC(=O)NC[C@@H](CCl)OC(=O)O" [label=""]
	"115 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	54 -> "115 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"116 | CC(C)C1=N[N+](=O)C2=C1CCCc1cc(N)ccc12" [color=lightgrey shape=box style=filled]
	55 -> "116 | CC(C)C1=N[N+](=O)C2=C1CCCc1cc(N)ccc12" [label=""]
	"117 | CC(=O)NC[C@@H](CO)OC(=O)O" [color=lightgrey shape=box style=filled]
	55 -> "117 | CC(=O)NC[C@@H](CO)OC(=O)O" [label=""]
	"118 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	56 -> "118 | CC(=O)Cl" [label=""]
	"119 | C[C@H](CN)OC(=O)O" [color=lightgrey shape=box style=filled]
	56 -> "119 | C[C@H](CN)OC(=O)O" [label=""]
	"120 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	56 -> "120 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"121 | CC(=O)NC[C@H](OC(=O)O)C(N)C(=O)OC(C)(C)C" [color=lightgrey shape=box style=filled]
	57 -> "121 | CC(=O)NC[C@H](OC(=O)O)C(N)C(=O)OC(C)(C)C" [label=""]
	"122 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	57 -> "122 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"123 | CC(=O)NC[C@@H](CN)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	58 -> "123 | CC(=O)NC[C@@H](CN)OC(=O)Cl" [label=""]
	"124 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	58 -> "124 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"125 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	59 -> "125 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"126 | CC(=O)NC[C@@H](CO)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	59 -> "126 | CC(=O)NC[C@@H](CO)OC(=O)Cl" [label=""]
	"127 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1cn[nH]c1-2)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	60 -> "127 | CC(=O)NC[C@@H](CNc1ccc2c(c1)CCCc1cn[nH]c1-2)OC(=O)Cl" [label=""]
	"128 | CC(C)Br" [color=lightyellow shape=box style=filled]
	60 -> "128 | CC(C)Br" [label=""]
	"129 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	61 -> "129 | O=C(Cl)Cl" [label=""]
	"130 | CC(=O)NC[C@H](O)CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2" [color=lightgrey shape=box style=filled]
	61 -> "130 | CC(=O)NC[C@H](O)CNc1ccc2c(c1)CCCc1c(C(C)C)n[nH]c1-2" [label=""]
	"131 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	62 -> "131 | CC(=O)Cl" [label=""]
	"132 | CC(C)c1n[nH]c2c1CCCc1cc(NC[C@H](CN)OC(=O)Cl)ccc1-2" [color=lightgrey shape=box style=filled]
	62 -> "132 | CC(C)c1n[nH]c2c1CCCc1cc(NC[C@H](CN)OC(=O)Cl)ccc1-2" [label=""]
	"133 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	63 -> "133 | CC(=O)Cl" [label=""]
	"134 | C[C@H](CN)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	63 -> "134 | C[C@H](CN)OC(=O)Cl" [label=""]
	"135 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	63 -> "135 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"136 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	64 -> "136 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"137 | CC(=O)NC[C@@H](CBr)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	64 -> "137 | CC(=O)NC[C@@H](CBr)OC(=O)Cl" [label=""]
	"138 | CC(=O)NC[C@@H](C)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	65 -> "138 | CC(=O)NC[C@@H](C)OC(=O)Cl" [label=""]
	"139 | CC(C)c1n[nH]c2c1C(Br)CCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	65 -> "139 | CC(C)c1n[nH]c2c1C(Br)CCc1cc(N)ccc1-2" [label=""]
	"140 | CC(C)C1=N[N+](=O)C2=C1CCCc1cc(N)ccc12" [color=lightgrey shape=box style=filled]
	66 -> "140 | CC(C)C1=N[N+](=O)C2=C1CCCc1cc(N)ccc12" [label=""]
	"141 | CC(=O)NC[C@@H](CO)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	66 -> "141 | CC(=O)NC[C@@H](CO)OC(=O)Cl" [label=""]
	"142 | CC(=O)O" [color=lightyellow shape=box style=filled]
	67 -> "142 | CC(=O)O" [label=""]
	"143 | C[C@H](CN)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	67 -> "143 | C[C@H](CN)OC(=O)Cl" [label=""]
	"144 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [color=lightgrey shape=box style=filled]
	67 -> "144 | CC(C)c1n[nH]c2c1CCCc1cc(N)ccc1-2" [label=""]
	"145 | O=C[C@H]1CNC(=O)O1" [color=lightgrey shape=box style=filled]
	68 -> "145 | O=C[C@H]1CNC(=O)O1" [label=""]
	"146 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	68 -> "146 | CC(C)c1n[nH]c2c1CCCc1cc(Br)ccc1-2" [label=""]
	"147 | O=C[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [color=lightgrey shape=box style=filled]
	69 -> "147 | O=C[C@H]1CN(c2ccc3c(c2)CCCc2cn[nH]c2-3)C(=O)O1" [label=""]
	"148 | CC(C)Br" [color=lightyellow shape=box style=filled]
	69 -> "148 | CC(C)Br" [label=""]
	"149 | NC[C@H](C=O)OC(=O)O" [color=lightgrey shape=box style=filled]
	70 -> "149 | NC[C@H](C=O)OC(=O)O" [label=""]
	"150 | C[CH]C" [color=lightgrey shape=box style=filled]
	70 -> "150 | C[CH]C" [label=""]
	"151 | CN(C)[O+]=O" [color=lightgrey shape=box style=filled]
	70 -> "151 | CN(C)[O+]=O" [label=""]
	"152 | O=[N+]1N=[C]C2=C1c1ccccc1CCC2" [color=lightgrey shape=box style=filled]
	70 -> "152 | O=[N+]1N=[C]C2=C1c1ccccc1CCC2" [label=""]
	"153 | NC(=O)[C@H](C=O)OC(=O)Cl" [color=lightgrey shape=box style=filled]
	71 -> "153 | NC(=O)[C@H](C=O)OC(=O)Cl" [label=""]
	"154 | CC(C=O)c1n[nH]c(-c2ccc(Br)cc2Br)c1CCCO" [color=lightgrey shape=box style=filled]
	71 -> "154 | CC(C=O)c1n[nH]c(-c2ccc(Br)cc2Br)c1CCCO" [label=""]
	"155 | CC(C)Br" [color=lightyellow shape=box style=filled]
	72 -> "155 | CC(C)Br" [label=""]
	"156 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	72 -> "156 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"157 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [color=lightgrey shape=box style=filled]
	73 -> "157 | CC(C)c1n[nH]c2c1CCCc1ccccc1-2" [label=""]
	"158 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	73 -> "158 | O=C1CCC(=O)N1Br" [label=""]
	"159 | O=C(Cl)Cl" [color=lightyellow shape=box style=filled]
	74 -> "159 | O=C(Cl)Cl" [label=""]
	"160 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	74 -> "160 | O=C1CCC(=O)N1Cl" [label=""]
	"161 | CC(=O)c1n[nH]c2c1CCC(=O)c1cc(Br)ccc1-2" [color=lightgrey shape=box style=filled]
	74 -> "161 | CC(=O)c1n[nH]c2c1CCC(=O)c1cc(Br)ccc1-2" [label=""]
	"162 | CC(=O)NC[C@H](O)CO" [color=lightgrey shape=box style=filled]
	75 -> "162 | CC(=O)NC[C@H](O)CO" [label=""]
	"163 | O=COC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	75 -> "163 | O=COC(=O)c1cccc(Cl)c1" [label=""]
	"164 | CC(=O)NC[C@H](O)CO" [color=lightgrey shape=box style=filled]
	76 -> "164 | CC(=O)NC[C@H](O)CO" [label=""]
	"165 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	76 -> "165 | CN(C)C=O" [label=""]
	"166 | O=CO" [color=lightyellow shape=box style=filled]
	77 -> "166 | O=CO" [label=""]
	"167 | CC(=O)NC[C@H](O)CO" [color=lightgrey shape=box style=filled]
	77 -> "167 | CC(=O)NC[C@H](O)CO" [label=""]
	"168 | O=CCl" [color=lightgrey shape=box style=filled]
	78 -> "168 | O=CCl" [label=""]
	"169 | CC(=O)NC[C@H](O)CO" [color=lightgrey shape=box style=filled]
	78 -> "169 | CC(=O)NC[C@H](O)CO" [label=""]
	"170 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	79 -> "170 | CC(=O)Cl" [label=""]
	"171 | NC[C@@H](CO)OC=O" [color=lightgrey shape=box style=filled]
	79 -> "171 | NC[C@@H](CO)OC=O" [label=""]
	"172 | CC(=O)O" [color=lightyellow shape=box style=filled]
	80 -> "172 | CC(=O)O" [label=""]
	"173 | NC[C@@H](CO)OC=O" [color=lightgrey shape=box style=filled]
	80 -> "173 | NC[C@@H](CO)OC=O" [label=""]
	"174 | O=CO" [color=lightyellow shape=box style=filled]
	81 -> "174 | O=CO" [label=""]
	"175 | CC(=O)NC[C@H](O)CO" [color=lightgrey shape=box style=filled]
	81 -> "175 | CC(=O)NC[C@H](O)CO" [label=""]
	"176 | CC(=O)NCCCO" [color=lightyellow shape=box style=filled]
	82 -> "176 | CC(=O)NCCCO" [label=""]
	"177 | O=C(O)OC(=O)c1cccc(Cl)c1" [color=lightgrey shape=box style=filled]
	82 -> "177 | O=C(O)OC(=O)c1cccc(Cl)c1" [label=""]
	"178 | CC(=O)NCCCO" [color=lightyellow shape=box style=filled]
	83 -> "178 | CC(=O)NCCCO" [label=""]
	"179 | O=C(O)O" [color=lightyellow shape=box style=filled]
	83 -> "179 | O=C(O)O" [label=""]
	"180 | CC(=O)NCCCO" [color=lightyellow shape=box style=filled]
	84 -> "180 | CC(=O)NCCCO" [label=""]
	"181 | OCO" [color=lightyellow shape=box style=filled]
	84 -> "181 | OCO" [label=""]
	"182 | Nc1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightgrey shape=box style=filled]
	85 -> "182 | Nc1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"183 | CC(C)Br" [color=lightyellow shape=box style=filled]
	85 -> "183 | CC(C)Br" [label=""]
	"184 | CC(C)c1n[nH]c2c1CCCc1cc([N+](=O)[O-])ccc1-2" [color=lightgrey shape=box style=filled]
	86 -> "184 | CC(C)c1n[nH]c2c1CCCc1cc([N+](=O)[O-])ccc1-2" [label=""]
	"185 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	87 -> "185 | Nc1ccccc1" [label=""]
	"186 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	87 -> "186 | BrC(Br)(Br)Br" [label=""]
	"187 | CC(=C=O)c1n[nH]c(Br)c1CCCO" [color=lightgrey shape=box style=filled]
	87 -> "187 | CC(=C=O)c1n[nH]c(Br)c1CCCO" [label=""]
	88 [color=lightblue shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"22 | Brc1ccc2c(c1)CCCc1cn[nH]c1-2" -> 97 [label=0.000]
	"188 | c1ccc2c(c1)CCCc1cn[nH]c1-2" [color=lightyellow shape=box style=filled]
	88 -> "188 | c1ccc2c(c1)CCCc1cn[nH]c1-2" [label=""]
	"189 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	88 -> "189 | O=C1CCC(=O)N1Br" [label=""]
	"190 | BrCCCc1cc(Br)ccc1-c1ccn[nH]1" [color=lightgrey shape=box style=filled]
	89 -> "190 | BrCCCc1cc(Br)ccc1-c1ccn[nH]1" [label=""]
	"191 | BrC1=CC=Cc2[nH]ncc2CCCC(Br)=C1" [color=lightgrey shape=box style=filled]
	90 -> "191 | BrC1=CC=Cc2[nH]ncc2CCCC(Br)=C1" [label=""]
	"192 | Cc1cn[nH]c1-c1ccc(Br)cc1CCBr" [color=lightgrey shape=box style=filled]
	91 -> "192 | Cc1cn[nH]c1-c1ccc(Br)cc1CCBr" [label=""]
	"193 | CCCc1cc(Br)ccc1-c1[nH]ncc1Br" [color=lightgrey shape=box style=filled]
	92 -> "193 | CCCc1cc(Br)ccc1-c1[nH]ncc1Br" [label=""]
	"194 | BrC1=CC=C(Br)c2[nH]ncc2CCCC=C1" [color=lightgrey shape=box style=filled]
	93 -> "194 | BrC1=CC=C(Br)c2[nH]ncc2CCCC=C1" [label=""]
	"195 | [C-]#N" [color=lightyellow shape=box style=filled]
	94 -> "195 | [C-]#N" [label=""]
	"196 | NC1=CCCCc2cc(Br)ccc21" [color=lightgrey shape=box style=filled]
	94 -> "196 | NC1=CCCCc2cc(Br)ccc21" [label=""]
	"197 | BrC1=CC=C(Br)c2[nH]ncc2CCCC(Br)=C1" [color=lightgrey shape=box style=filled]
	95 -> "197 | BrC1=CC=C(Br)c2[nH]ncc2CCCC(Br)=C1" [label=""]
	"198 | C=NNC1=C(Br)CCCc2cc(Br)ccc21" [color=lightgrey shape=box style=filled]
	96 -> "198 | C=NNC1=C(Br)CCCc2cc(Br)ccc21" [label=""]
	"199 | NC1=CCCCc2cc(Br)ccc21" [color=lightgrey shape=box style=filled]
	97 -> "199 | NC1=CCCCc2cc(Br)ccc21" [label=""]
	"200 | NC=O" [color=lightyellow shape=box style=filled]
	97 -> "200 | NC=O" [label=""]
}
