digraph G {
	rankdir=LR
	node [shape=box]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 10 [label=0.000]
	"2 | NS(=O)(=O)Cl" [color=lightyellow shape=box style=filled]
	1 -> "2 | NS(=O)(=O)Cl" [label=""]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=lightblue shape=box style=filled]
	1 -> "3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [label=""]
	"4 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	2 -> "4 | NS(=O)(=O)O" [label=""]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=aquamarine shape=box style=filled]
	2 -> "5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [label=""]
	"6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightblue shape=box style=filled]
	3 -> "6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" [color=aquamarine shape=box style=filled]
	3 -> "7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" [label=""]
	"8 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	4 -> "8 | NS(=O)(=O)O" [label=""]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=aquamarine shape=box style=filled]
	4 -> "9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [label=""]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" [color=lightblue shape=box style=filled]
	5 -> "10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" [label=""]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=aquamarine shape=box style=filled]
	5 -> "11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" [color=aquamarine shape=box style=filled]
	6 -> "12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" [label=""]
	"13 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	6 -> "13 | NS(=O)(=O)O" [label=""]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=aquamarine shape=box style=filled]
	7 -> "14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [label=""]
	"15 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	7 -> "15 | NS(=O)(=O)O" [label=""]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" [color=aquamarine shape=box style=filled]
	8 -> "16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" [label=""]
	"17 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	8 -> "17 | NS(=O)(=O)O" [label=""]
	"18 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	9 -> "18 | N[C@H]1CCc2ccccc21" [label=""]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=aquamarine shape=box style=filled]
	9 -> "19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" [color=aquamarine shape=box style=filled]
	10 -> "20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"21 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightblue shape=box style=filled]
	10 -> "21 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	11 [color=lightblue shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"3 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"5 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 30 [label=0.000]
	31 [color=lightblue shape=rarrow style=filled]
	"6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 31 [label=0.000]
	32 [color=lightblue shape=rarrow style=filled]
	"6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 32 [label=0.000]
	33 [color=lightblue shape=rarrow style=filled]
	"6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"6 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"7 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"9 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 60 [label=0.000]
	61 [color=lightblue shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"10 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"11 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"12 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"14 | O=C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"16 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CCl" -> 104 [label=0.000]
	105 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 106 [label=0.000]
	107 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 108 [label=0.000]
	109 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 109 [label=0.000]
	110 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 110 [label=0.000]
	111 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 111 [label=0.000]
	112 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 112 [label=0.000]
	113 [color=aquamarine shape=rarrow style=filled]
	"19 | NS(=O)(=O)OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" -> 113 [label=0.000]
	114 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 114 [label=0.000]
	115 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 115 [label=0.000]
	116 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 116 [label=0.000]
	117 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 120 [label=0.000]
	121 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 122 [label=0.000]
	123 [color=aquamarine shape=rarrow style=filled]
	"20 | NS(=O)(=O)OC[C@H]1C[C@@H](Br)C[C@@H]1O" -> 123 [label=0.000]
	124 [color=lightblue shape=rarrow style=filled]
	"21 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 124 [label=0.000]
	125 [color=lightblue shape=rarrow style=filled]
	"21 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 125 [label=0.000]
	126 [color=lightblue shape=rarrow style=filled]
	"21 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"21 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 127 [label=0.000]
	128 [color=aquamarine shape=rarrow style=filled]
	"21 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 128 [label=0.000]
	"22 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightblue shape=box style=filled]
	11 -> "22 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" [color=lightblue shape=box style=filled]
	11 -> "23 | O=C1C[C@H](CO)[C@@H](O)C1" [label=""]
	"24 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	12 -> "24 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"25 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	12 -> "25 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"26 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	13 -> "26 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"27 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	13 -> "27 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"28 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	14 -> "28 | Clc1ncnc2ccnn12" [label=""]
	"29 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	14 -> "29 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"30 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	14 -> "30 | N[C@H]1CCc2ccccc21" [label=""]
	"31 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	15 -> "31 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"32 | CC1(C)OB(c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)OC1(C)C" [color=lightgrey shape=box style=filled]
	15 -> "32 | CC1(C)OB(c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)OC1(C)C" [label=""]
	"33 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	16 -> "33 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"34 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	16 -> "34 | N[C@H]1CCc2ccccc21" [label=""]
	"35 | [c]1cnn2[c]ncnc12" [color=lightgrey shape=box style=filled]
	17 -> "35 | [c]1cnn2[c]ncnc12" [label=""]
	"36 | OC[C@H]1C[CH]C[C@@H]1O" [color=lightgrey shape=box style=filled]
	17 -> "36 | OC[C@H]1C[CH]C[C@@H]1O" [label=""]
	"37 | [NH][C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	17 -> "37 | [NH][C@H]1CCc2ccccc21" [label=""]
	"38 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	18 -> "38 | O=C1CCc2ccccc21" [label=""]
	"39 | Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)C3)cnn12" [color=lightgrey shape=box style=filled]
	18 -> "39 | Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)C3)cnn12" [label=""]
	"40 | C=O" [color=lightyellow shape=box style=filled]
	19 -> "40 | C=O" [label=""]
	"41 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [color=lightgrey shape=box style=filled]
	19 -> "41 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [label=""]
	"42 | O=CC[C@@H](CCCO)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	20 -> "42 | O=CC[C@@H](CCCO)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"43 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	21 -> "43 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"44 | O=C1C[C@H](CO)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	21 -> "44 | O=C1C[C@H](CO)[C@@H](O)C1" [label=""]
	"45 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	22 -> "45 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"46 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	22 -> "46 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"47 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	23 -> "47 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"48 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	23 -> "48 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"49 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	24 -> "49 | Clc1ncnc2ccnn12" [label=""]
	"50 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	24 -> "50 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"51 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	24 -> "51 | N[C@H]1CCc2ccccc21" [label=""]
	"52 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	25 -> "52 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"53 | CC1(C)OB(c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)OC1(C)C" [color=lightgrey shape=box style=filled]
	25 -> "53 | CC1(C)OB(c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)OC1(C)C" [label=""]
	"54 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	26 -> "54 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"55 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	26 -> "55 | N[C@H]1CCc2ccccc21" [label=""]
	"56 | [c]1cnn2[c]ncnc12" [color=lightgrey shape=box style=filled]
	27 -> "56 | [c]1cnn2[c]ncnc12" [label=""]
	"57 | OC[C@H]1C[CH]C[C@@H]1O" [color=lightgrey shape=box style=filled]
	27 -> "57 | OC[C@H]1C[CH]C[C@@H]1O" [label=""]
	"58 | [NH][C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	27 -> "58 | [NH][C@H]1CCc2ccccc21" [label=""]
	"59 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	28 -> "59 | O=C1CCc2ccccc21" [label=""]
	"60 | Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)C3)cnn12" [color=lightgrey shape=box style=filled]
	28 -> "60 | Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)C3)cnn12" [label=""]
	"61 | C=O" [color=lightyellow shape=box style=filled]
	29 -> "61 | C=O" [label=""]
	"62 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [color=lightgrey shape=box style=filled]
	29 -> "62 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [label=""]
	"63 | O=CC[C@@H](CCCO)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	30 -> "63 | O=CC[C@@H](CCCO)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"64 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	31 -> "64 | Clc1ncnc2ccnn12" [label=""]
	"65 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	31 -> "65 | N[C@H]1CCc2ccccc21" [label=""]
	"66 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	32 -> "66 | O=C1CCc2ccccc21" [label=""]
	"67 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	32 -> "67 | Nc1ncnc2ccnn12" [label=""]
	"68 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	33 -> "68 | O=C1CCc2ccccc21" [label=""]
	"69 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	33 -> "69 | Nc1ncnc2ccnn12" [label=""]
	"70 | [C]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	34 -> "70 | [C]1CCc2ccccc21" [label=""]
	"71 | [NH]c1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	34 -> "71 | [NH]c1ncnc2ccnn12" [label=""]
	"72 | O=N[C@H]1CC(=O)c2ccccc21" [color=lightgrey shape=box style=filled]
	35 -> "72 | O=N[C@H]1CC(=O)c2ccccc21" [label=""]
	"73 | Nc1ccnn1CCl" [color=lightgrey shape=box style=filled]
	35 -> "73 | Nc1ccnn1CCl" [label=""]
	"74 | NCCl" [color=lightgrey shape=box style=filled]
	35 -> "74 | NCCl" [label=""]
	"75 | O=C1C[C@H](CO)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	36 -> "75 | O=C1C[C@H](CO)[C@@H](O)C1" [label=""]
	"76 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	36 -> "76 | NS(=O)(=O)O" [label=""]
	"77 | NS(=O)(=O)Cl" [color=lightyellow shape=box style=filled]
	37 -> "77 | NS(=O)(=O)Cl" [label=""]
	"78 | O=C1C[C@H](CO)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	37 -> "78 | O=C1C[C@H](CO)[C@@H](O)C1" [label=""]
	"79 | O=C1C[C@H](CO)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	38 -> "79 | O=C1C[C@H](CO)[C@@H](O)C1" [label=""]
	"80 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	38 -> "80 | NS(=O)(=O)O" [label=""]
	"81 | O=C[C@H]1CC(=O)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	39 -> "81 | O=C[C@H]1CC(=O)C[C@@H]1O" [label=""]
	"82 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	39 -> "82 | NS(=O)(=O)O" [label=""]
	"83 | O=C1C[C@H](CBr)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	40 -> "83 | O=C1C[C@H](CBr)[C@@H](O)C1" [label=""]
	"84 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	40 -> "84 | NS(=O)(=O)O" [label=""]
	"85 | NS(=O)(=O)OCBr" [color=lightgrey shape=box style=filled]
	41 -> "85 | NS(=O)(=O)OCBr" [label=""]
	"86 | O=C1CC[C@@H](O)C1" [color=lightyellow shape=box style=filled]
	41 -> "86 | O=C1CC[C@@H](O)C1" [label=""]
	"87 | C[C@H](COS(N)(=O)=O)[C@@H](O)CC(=O)O" [color=lightgrey shape=box style=filled]
	42 -> "87 | C[C@H](COS(N)(=O)=O)[C@@H](O)CC(=O)O" [label=""]
	"88 | O=C1C[C@H](C(=O)O)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	43 -> "88 | O=C1C[C@H](C(=O)O)[C@@H](O)C1" [label=""]
	"89 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	43 -> "89 | NS(=O)(=O)O" [label=""]
	"90 | O=C1C[C@H](CCl)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	44 -> "90 | O=C1C[C@H](CCl)[C@@H](O)C1" [label=""]
	"91 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	44 -> "91 | NS(=O)(=O)O" [label=""]
	"92 | O=C1CC[C@@H](O)C1" [color=lightyellow shape=box style=filled]
	45 -> "92 | O=C1CC[C@@H](O)C1" [label=""]
	"93 | NS(=O)(=O)OCCl" [color=lightgrey shape=box style=filled]
	45 -> "93 | NS(=O)(=O)OCCl" [label=""]
	"94 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	46 -> "94 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"95 | O=C1C[C@H](CO)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	46 -> "95 | O=C1C[C@H](CO)[C@@H](O)C1" [label=""]
	"96 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	47 -> "96 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"97 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	47 -> "97 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"98 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	48 -> "98 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"99 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	48 -> "99 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"100 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	49 -> "100 | Clc1ncnc2ccnn12" [label=""]
	"101 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	49 -> "101 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"102 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	49 -> "102 | N[C@H]1CCc2ccccc21" [label=""]
	"103 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	50 -> "103 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"104 | CC1(C)OB(c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)OC1(C)C" [color=lightgrey shape=box style=filled]
	50 -> "104 | CC1(C)OB(c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)OC1(C)C" [label=""]
	"105 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	51 -> "105 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"106 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	51 -> "106 | N[C@H]1CCc2ccccc21" [label=""]
	"107 | [c]1cnn2[c]ncnc12" [color=lightgrey shape=box style=filled]
	52 -> "107 | [c]1cnn2[c]ncnc12" [label=""]
	"108 | OC[C@H]1C[CH]C[C@@H]1O" [color=lightgrey shape=box style=filled]
	52 -> "108 | OC[C@H]1C[CH]C[C@@H]1O" [label=""]
	"109 | [NH][C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	52 -> "109 | [NH][C@H]1CCc2ccccc21" [label=""]
	"110 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	53 -> "110 | O=C1CCc2ccccc21" [label=""]
	"111 | Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)C3)cnn12" [color=lightgrey shape=box style=filled]
	53 -> "111 | Nc1ncnc2c([C@@H]3C[C@H](CO)[C@@H](O)C3)cnn12" [label=""]
	"112 | C=O" [color=lightyellow shape=box style=filled]
	54 -> "112 | C=O" [label=""]
	"113 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [color=lightgrey shape=box style=filled]
	54 -> "113 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [label=""]
	"114 | O=CC[C@@H](CCCO)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	55 -> "114 | O=CC[C@@H](CCCO)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"115 | NS(=O)(=O)Cl" [color=lightyellow shape=box style=filled]
	56 -> "115 | NS(=O)(=O)Cl" [label=""]
	"116 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	56 -> "116 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"117 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	57 -> "117 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"118 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	57 -> "118 | NS(=O)(=O)O" [label=""]
	"119 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	58 -> "119 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"120 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	58 -> "120 | NS(=O)(=O)O" [label=""]
	"121 | O=C[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	59 -> "121 | O=C[C@H]1CCC[C@@H]1O" [label=""]
	"122 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	59 -> "122 | NS(=O)(=O)O" [label=""]
	"123 | NS(=O)(=O)OCCl" [color=lightgrey shape=box style=filled]
	60 -> "123 | NS(=O)(=O)OCCl" [label=""]
	"124 | OC1CCCC1" [color=lightyellow shape=box style=filled]
	60 -> "124 | OC1CCCC1" [label=""]
	"125 | O=C(O)[C@H]1CCC[C@@H]1O" [color=lightyellow shape=box style=filled]
	61 -> "125 | O=C(O)[C@H]1CCC[C@@H]1O" [label=""]
	"126 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	61 -> "126 | NS(=O)(=O)O" [label=""]
	"127 | NS(=O)(=O)OCBr" [color=lightgrey shape=box style=filled]
	62 -> "127 | NS(=O)(=O)OCBr" [label=""]
	"128 | OC1CCCC1" [color=lightyellow shape=box style=filled]
	62 -> "128 | OC1CCCC1" [label=""]
	"129 | O[C@H]1CCC[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	63 -> "129 | O[C@H]1CCC[C@@H]1CBr" [label=""]
	"130 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	63 -> "130 | NS(=O)(=O)O" [label=""]
	"131 | NS(=O)(=O)OCCCCCC=O" [color=lightgrey shape=box style=filled]
	64 -> "131 | NS(=O)(=O)OCCCCCC=O" [label=""]
	"132 | O=[S](=O)OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	65 -> "132 | O=[S](=O)OC[C@H]1CCC[C@@H]1O" [label=""]
	"133 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	65 -> "133 | CC(C)(C)OC(N)=O" [label=""]
	"134 | Clc1ncnc2c(Br)cnn12" [color=lightgrey shape=box style=filled]
	66 -> "134 | Clc1ncnc2c(Br)cnn12" [label=""]
	"135 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	66 -> "135 | N[C@H]1CCc2ccccc21" [label=""]
	"136 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	67 -> "136 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"137 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	67 -> "137 | O=C1CCC(=O)N1Br" [label=""]
	"138 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	68 -> "138 | O=C1CCc2ccccc21" [label=""]
	"139 | Nc1ncnc2c(Br)cnn12" [color=lightgrey shape=box style=filled]
	68 -> "139 | Nc1ncnc2c(Br)cnn12" [label=""]
	"140 | Brc1cnn2c(Br)ncnc12" [color=lightgrey shape=box style=filled]
	69 -> "140 | Brc1cnn2c(Br)ncnc12" [label=""]
	"141 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	69 -> "141 | N[C@H]1CCc2ccccc21" [label=""]
	"142 | Nc1[nH]ncc1Br" [color=lightyellow shape=box style=filled]
	70 -> "142 | Nc1[nH]ncc1Br" [label=""]
	"143 | O=CN=CN[C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	70 -> "143 | O=CN=CN[C@H]1CCc2ccccc21" [label=""]
	"144 | Br[C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	71 -> "144 | Br[C@H]1CCc2ccccc21" [label=""]
	"145 | Nc1ncnc2c(Br)cnn12" [color=lightgrey shape=box style=filled]
	71 -> "145 | Nc1ncnc2c(Br)cnn12" [label=""]
	"146 | Cl[C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	72 -> "146 | Cl[C@H]1CCc2ccccc21" [label=""]
	"147 | Nc1ncnc2c(Br)cnn12" [color=lightgrey shape=box style=filled]
	72 -> "147 | Nc1ncnc2c(Br)cnn12" [label=""]
	"148 | CN=C=N[C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	73 -> "148 | CN=C=N[C@H]1CCc2ccccc21" [label=""]
	"149 | Nc1[nH]ncc1Br" [color=lightyellow shape=box style=filled]
	73 -> "149 | Nc1[nH]ncc1Br" [label=""]
	"150 | CN=C(O)N[C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	74 -> "150 | CN=C(O)N[C@H]1CCc2ccccc21" [label=""]
	"151 | Nc1[nH]ncc1Br" [color=lightyellow shape=box style=filled]
	74 -> "151 | Nc1[nH]ncc1Br" [label=""]
	"152 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	75 -> "152 | O=C1CCC(=O)N1Br" [label=""]
	"153 | C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	75 -> "153 | C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [label=""]
	"154 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	76 -> "154 | BrC(Br)(Br)Br" [label=""]
	"155 | C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	76 -> "155 | C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [label=""]
	"156 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	77 -> "156 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"157 | O=C1C[C@H](CBr)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	77 -> "157 | O=C1C[C@H](CBr)[C@@H](O)C1" [label=""]
	"158 | O[C@H]1C[C@H](Br)C[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	78 -> "158 | O[C@H]1C[C@H](Br)C[C@@H]1CBr" [label=""]
	"159 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	78 -> "159 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"160 | O[C@H]1CCC[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	79 -> "160 | O[C@H]1CCC[C@@H]1CBr" [label=""]
	"161 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	79 -> "161 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"162 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	80 -> "162 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"163 | O=C1CCC[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	80 -> "163 | O=C1CCC[C@@H]1CBr" [label=""]
	"164 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	81 -> "164 | Clc1ncnc2ccnn12" [label=""]
	"165 | O[C@H]1CCC[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	81 -> "165 | O[C@H]1CCC[C@@H]1CBr" [label=""]
	"166 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	81 -> "166 | N[C@H]1CCc2ccccc21" [label=""]
	"167 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	82 -> "167 | O=C1CCc2ccccc21" [label=""]
	"168 | Nc1ncnc2c([C@@H]3C[C@H](CBr)[C@@H](O)C3)cnn12" [color=lightgrey shape=box style=filled]
	82 -> "168 | Nc1ncnc2c([C@@H]3C[C@H](CBr)[C@@H](O)C3)cnn12" [label=""]
	"169 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	83 -> "169 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C[C@@H]1CBr" [label=""]
	"170 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	83 -> "170 | N[C@H]1CCc2ccccc21" [label=""]
	"171 | [c]1cnn2[c]ncnc12" [color=lightgrey shape=box style=filled]
	84 -> "171 | [c]1cnn2[c]ncnc12" [label=""]
	"172 | O[C@H]1C[CH]C[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	84 -> "172 | O[C@H]1C[CH]C[C@@H]1CBr" [label=""]
	"173 | [NH][C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	84 -> "173 | [NH][C@H]1CCc2ccccc21" [label=""]
	"174 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	85 -> "174 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"175 | O=C[C@H]1CC(=O)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	85 -> "175 | O=C[C@H]1CC(=O)C[C@@H]1O" [label=""]
	"176 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	86 -> "176 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"177 | O=C[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	86 -> "177 | O=C[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"178 | O=C[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	87 -> "178 | O=C[C@H]1CCC[C@@H]1O" [label=""]
	"179 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	87 -> "179 | Brc1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"180 | CN(C)C=O" [color=lightyellow shape=box style=filled]
	88 -> "180 | CN(C)C=O" [label=""]
	"181 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [color=lightgrey shape=box style=filled]
	88 -> "181 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [label=""]
	"182 | O=C[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	89 -> "182 | O=C[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"183 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	89 -> "183 | N[C@H]1CCc2ccccc21" [label=""]
	"184 | O=CCC[C@H](CC=O)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	90 -> "184 | O=CCC[C@H](CC=O)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"185 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	91 -> "185 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"186 | CC1(C)OB([C@H]2C[C@H](O)[C@@H](C=O)C2)OC1(C)C" [color=lightgrey shape=box style=filled]
	91 -> "186 | CC1(C)OB([C@H]2C[C@H](O)[C@@H](C=O)C2)OC1(C)C" [label=""]
	"187 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	92 -> "187 | Clc1ncnc2ccnn12" [label=""]
	"188 | O=C[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	92 -> "188 | O=C[C@H]1CCC[C@@H]1O" [label=""]
	"189 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	92 -> "189 | N[C@H]1CCc2ccccc21" [label=""]
	"190 | Nc1ncnc2c([C@H]3C[C@H](O)[C@@H](C=O)C3)cnn12" [color=lightgrey shape=box style=filled]
	93 -> "190 | Nc1ncnc2c([C@H]3C[C@H](O)[C@@H](C=O)C3)cnn12" [label=""]
	"191 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	93 -> "191 | O=C1CCc2ccccc21" [label=""]
	"192 | O=CCC[C@H](CC(=O)O)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [color=lightgrey shape=box style=filled]
	94 -> "192 | O=CCC[C@H](CC(=O)O)c1cnn2c(N[C@H]3CCc4ccccc43)ncnc12" [label=""]
	"193 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	95 -> "193 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"194 | O=C1C[C@H](CCl)[C@@H](O)C1" [color=lightgrey shape=box style=filled]
	95 -> "194 | O=C1C[C@H](CCl)[C@@H](O)C1" [label=""]
	"195 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C[C@@H]1CCl" [color=lightgrey shape=box style=filled]
	96 -> "195 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C[C@@H]1CCl" [label=""]
	"196 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	96 -> "196 | N[C@H]1CCc2ccccc21" [label=""]
	"197 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	97 -> "197 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" [label=""]
	"198 | O[C@H]1C[C@H](Br)C[C@@H]1CCl" [color=lightgrey shape=box style=filled]
	97 -> "198 | O[C@H]1C[C@H](Br)C[C@@H]1CCl" [label=""]
	"199 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	98 -> "199 | ClC(Cl)(Cl)Cl" [label=""]
	"200 | C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	98 -> "200 | C[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [label=""]
	"201 | Nc1ncnc2c([C@@H]3C[C@H](CCl)[C@@H](O)C3)cnn12" [color=lightgrey shape=box style=filled]
	99 -> "201 | Nc1ncnc2c([C@@H]3C[C@H](CCl)[C@@H](O)C3)cnn12" [label=""]
	"202 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	99 -> "202 | O=C1CCc2ccccc21" [label=""]
	"203 | ClCCl" [color=lightyellow shape=box style=filled]
	100 -> "203 | ClCCl" [label=""]
	"204 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [color=lightgrey shape=box style=filled]
	100 -> "204 | O[C@@H]1CC[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C1" [label=""]
	"205 | Cl" [color=lightyellow shape=box style=filled]
	101 -> "205 | Cl" [label=""]
	"206 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	101 -> "206 | OC[C@H]1C[C@@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1O" [label=""]
	"207 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	102 -> "207 | O[C@H]1C[C@H](c2cnn3c(N[C@H]4CCc5ccccc54)ncnc23)C[C@@H]1CBr" [label=""]
	"208 | Cl" [color=lightyellow shape=box style=filled]
	102 -> "208 | Cl" [label=""]
	"209 | [c]1cnn2[c]ncnc12" [color=lightgrey shape=box style=filled]
	103 -> "209 | [c]1cnn2[c]ncnc12" [label=""]
	"210 | O[C@H]1C[CH]C[C@@H]1CCl" [color=lightgrey shape=box style=filled]
	103 -> "210 | O[C@H]1C[CH]C[C@@H]1CCl" [label=""]
	"211 | [NH][C@H]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	103 -> "211 | [NH][C@H]1CCc2ccccc21" [label=""]
	"212 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	104 -> "212 | Clc1ncnc2ccnn12" [label=""]
	"213 | O[C@H]1CCC[C@@H]1CCl" [color=lightgrey shape=box style=filled]
	104 -> "213 | O[C@H]1CCC[C@@H]1CCl" [label=""]
	"214 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	104 -> "214 | N[C@H]1CCc2ccccc21" [label=""]
	"215 | NS(=O)(=O)Cl" [color=lightyellow shape=box style=filled]
	105 -> "215 | NS(=O)(=O)Cl" [label=""]
	"216 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	105 -> "216 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"217 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	106 -> "217 | Clc1ncnc2ccnn12" [label=""]
	"218 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	106 -> "218 | NS(=O)(=O)OC[C@H]1CC(=O)C[C@@H]1O" [label=""]
	"219 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	107 -> "219 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" [label=""]
	"220 | Clc1ncnc2c(Br)cnn12" [color=lightgrey shape=box style=filled]
	107 -> "220 | Clc1ncnc2c(Br)cnn12" [label=""]
	"221 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	108 -> "221 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"222 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	108 -> "222 | NS(=O)(=O)O" [label=""]
	"223 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	109 -> "223 | OC[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"224 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	109 -> "224 | NS(=O)(=O)O" [label=""]
	"225 | O=C[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	110 -> "225 | O=C[C@H]1C[C@@H](c2cnn3c(Cl)ncnc23)C[C@@H]1O" [label=""]
	"226 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	110 -> "226 | NS(=O)(=O)O" [label=""]
	"227 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	111 -> "227 | NS(=O)(=O)O" [label=""]
	"228 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	111 -> "228 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C[C@@H]1CBr" [label=""]
	"229 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C[C@@H]1CCl" [color=lightgrey shape=box style=filled]
	112 -> "229 | O[C@H]1C[C@H](c2cnn3c(Cl)ncnc23)C[C@@H]1CCl" [label=""]
	"230 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	112 -> "230 | NS(=O)(=O)O" [label=""]
	"231 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	113 -> "231 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" [label=""]
	"232 | Clc1cnn2c(Cl)ncnc12" [color=lightgrey shape=box style=filled]
	113 -> "232 | Clc1cnn2c(Cl)ncnc12" [label=""]
	"233 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	114 -> "233 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"234 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	114 -> "234 | NS(=O)(=O)O" [label=""]
	"235 | NS(=O)(=O)Cl" [color=lightyellow shape=box style=filled]
	115 -> "235 | NS(=O)(=O)Cl" [label=""]
	"236 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	115 -> "236 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"237 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	116 -> "237 | NS(=O)(=O)OC[C@H]1CCC[C@@H]1O" [label=""]
	"238 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	116 -> "238 | O=C1CCC(=O)N1Br" [label=""]
	"239 | O=C[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	117 -> "239 | O=C[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"240 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	117 -> "240 | NS(=O)(=O)O" [label=""]
	"241 | O[C@H]1C[C@H](Br)C[C@@H]1CCl" [color=lightgrey shape=box style=filled]
	118 -> "241 | O[C@H]1C[C@H](Br)C[C@@H]1CCl" [label=""]
	"242 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	118 -> "242 | NS(=O)(=O)O" [label=""]
	"243 | O[C@H]1C[C@H](Br)C[C@@H]1CBr" [color=lightgrey shape=box style=filled]
	119 -> "243 | O[C@H]1C[C@H](Br)C[C@@H]1CBr" [label=""]
	"244 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	119 -> "244 | NS(=O)(=O)O" [label=""]
	"245 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	120 -> "245 | OC[C@H]1C[C@@H](Br)C[C@@H]1O" [label=""]
	"246 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	120 -> "246 | NS(=O)(=O)O" [label=""]
	"247 | NS(=O)(=O)OCBr" [color=lightgrey shape=box style=filled]
	121 -> "247 | NS(=O)(=O)OCBr" [label=""]
	"248 | O[C@@H]1CC[C@@H](Br)C1" [color=lightgrey shape=box style=filled]
	121 -> "248 | O[C@@H]1CC[C@@H](Br)C1" [label=""]
	"249 | CO" [color=lightyellow shape=box style=filled]
	122 -> "249 | CO" [label=""]
	"250 | O[C@@H]1CC[C@@H](Br)C1" [color=lightgrey shape=box style=filled]
	122 -> "250 | O[C@@H]1CC[C@@H](Br)C1" [label=""]
	"251 | NS(=O)(=O)O" [color=lightyellow shape=box style=filled]
	122 -> "251 | NS(=O)(=O)O" [label=""]
	"252 | COS(N)(=O)=O" [color=lightyellow shape=box style=filled]
	123 -> "252 | COS(N)(=O)=O" [label=""]
	"253 | O=C1C[C@@H](Br)C[C@@H]1O" [color=lightgrey shape=box style=filled]
	123 -> "253 | O=C1C[C@@H](Br)C[C@@H]1O" [label=""]
	"254 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	124 -> "254 | Clc1ncnc2ccnn12" [label=""]
	"255 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	124 -> "255 | N[C@H]1CCc2ccccc21" [label=""]
	"256 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	125 -> "256 | O=C1CCc2ccccc21" [label=""]
	"257 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	125 -> "257 | Nc1ncnc2ccnn12" [label=""]
	"258 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	126 -> "258 | O=C1CCc2ccccc21" [label=""]
	"259 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	126 -> "259 | Nc1ncnc2ccnn12" [label=""]
	"260 | [C]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	127 -> "260 | [C]1CCc2ccccc21" [label=""]
	"261 | [NH]c1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	127 -> "261 | [NH]c1ncnc2ccnn12" [label=""]
	"262 | O=N[C@H]1CC(=O)c2ccccc21" [color=lightgrey shape=box style=filled]
	128 -> "262 | O=N[C@H]1CC(=O)c2ccccc21" [label=""]
	"263 | Nc1ccnn1CCl" [color=lightgrey shape=box style=filled]
	128 -> "263 | Nc1ccnn1CCl" [label=""]
	"264 | NCCl" [color=lightgrey shape=box style=filled]
	128 -> "264 | NCCl" [label=""]
	129 [color=lightblue shape=rarrow style=filled]
	"22 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 129 [label=0.000]
	130 [color=lightblue shape=rarrow style=filled]
	"22 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 130 [label=0.000]
	131 [color=lightblue shape=rarrow style=filled]
	"22 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 131 [label=0.000]
	132 [color=aquamarine shape=rarrow style=filled]
	"22 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 132 [label=0.000]
	133 [color=aquamarine shape=rarrow style=filled]
	"22 | c1ccc2c(c1)CC[C@@H]2Nc1ncnc2ccnn12" -> 133 [label=0.000]
	134 [color=lightblue shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 134 [label=0.000]
	135 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 135 [label=0.000]
	136 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 136 [label=0.000]
	137 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 137 [label=0.000]
	138 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 138 [label=0.000]
	139 [color=lightblue shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 139 [label=0.000]
	140 [color=aquamarine shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 140 [label=0.000]
	141 [color=lightblue shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 141 [label=0.000]
	142 [color=lightblue shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 142 [label=0.000]
	143 [color=lightblue shape=rarrow style=filled]
	"23 | O=C1C[C@H](CO)[C@@H](O)C1" -> 143 [label=0.000]
	"265 | Clc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	129 -> "265 | Clc1ncnc2ccnn12" [label=""]
	"266 | N[C@H]1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	129 -> "266 | N[C@H]1CCc2ccccc21" [label=""]
	"267 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	130 -> "267 | O=C1CCc2ccccc21" [label=""]
	"268 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	130 -> "268 | Nc1ncnc2ccnn12" [label=""]
	"269 | O=C1CCc2ccccc21" [color=lightyellow shape=box style=filled]
	131 -> "269 | O=C1CCc2ccccc21" [label=""]
	"270 | Nc1ncnc2ccnn12" [color=lightyellow shape=box style=filled]
	131 -> "270 | Nc1ncnc2ccnn12" [label=""]
	"271 | [C]1CCc2ccccc21" [color=lightgrey shape=box style=filled]
	132 -> "271 | [C]1CCc2ccccc21" [label=""]
	"272 | [NH]c1ncnc2ccnn12" [color=lightgrey shape=box style=filled]
	132 -> "272 | [NH]c1ncnc2ccnn12" [label=""]
	"273 | O=N[C@H]1CC(=O)c2ccccc21" [color=lightgrey shape=box style=filled]
	133 -> "273 | O=N[C@H]1CC(=O)c2ccccc21" [label=""]
	"274 | Nc1ccnn1CCl" [color=lightgrey shape=box style=filled]
	133 -> "274 | Nc1ccnn1CCl" [label=""]
	"275 | NCCl" [color=lightgrey shape=box style=filled]
	133 -> "275 | NCCl" [label=""]
	"276 | O=C1CC[C@@H](O)C1" [color=lightyellow shape=box style=filled]
	134 -> "276 | O=C1CC[C@@H](O)C1" [label=""]
	"277 | C=O" [color=lightyellow shape=box style=filled]
	134 -> "277 | C=O" [label=""]
	"278 | O=CCC(=O)CCCO" [color=lightgrey shape=box style=filled]
	135 -> "278 | O=CCC(=O)CCCO" [label=""]
	"279 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	136 -> "279 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"280 | OC[C@H]1CCC[C@@H]1O" [color=lightgrey shape=box style=filled]
	136 -> "280 | OC[C@H]1CCC[C@@H]1O" [label=""]
	"281 | O=CCCC(=O)CCO" [color=lightgrey shape=box style=filled]
	137 -> "281 | O=CCCC(=O)CCO" [label=""]
	"282 | O=C(O)CCC(=O)CCO" [color=lightgrey shape=box style=filled]
	138 -> "282 | O=C(O)CCC(=O)CCO" [label=""]
	"283 | O=CO" [color=lightyellow shape=box style=filled]
	139 -> "283 | O=CO" [label=""]
	"284 | CC(=O)CCCO" [color=lightyellow shape=box style=filled]
	139 -> "284 | CC(=O)CCCO" [label=""]
	"285 | O=C(C=CO)CCCO" [color=lightgrey shape=box style=filled]
	140 -> "285 | O=C(C=CO)CCCO" [label=""]
	"286 | CC(=O)CCCO" [color=lightyellow shape=box style=filled]
	141 -> "286 | CC(=O)CCCO" [label=""]
	"287 | C=O" [color=lightyellow shape=box style=filled]
	141 -> "287 | C=O" [label=""]
	"288 | O=CO" [color=lightyellow shape=box style=filled]
	142 -> "288 | O=CO" [label=""]
	"289 | O=C1CC[C@@H](O)C1" [color=lightyellow shape=box style=filled]
	142 -> "289 | O=C1CC[C@@H](O)C1" [label=""]
	"290 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	143 -> "290 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"291 | O=C1CC[C@@H](CO)C1" [color=lightyellow shape=box style=filled]
	143 -> "291 | O=C1CC[C@@H](CO)C1" [label=""]
}
