digraph G {
	rankdir=LR
	node [shape=box]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1" -> 9 [label=0.000]
	"2 | O=C1CCC(CO)CC1" [color=lightyellow shape=box style=filled]
	1 -> "2 | O=C1CCC(CO)CC1" [label=""]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightblue shape=box style=filled]
	1 -> "3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"4 | OC[C@H]1CC[C@H](Br)CC1" [color=lightgrey shape=box style=filled]
	2 -> "4 | OC[C@H]1CC[C@H](Br)CC1" [label=""]
	"5 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	2 -> "5 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"6 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	3 -> "6 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"7 | OC[C@H]1CC[C@H](O)CC1" [color=lightyellow shape=box style=filled]
	3 -> "7 | OC[C@H]1CC[C@H](O)CC1" [label=""]
	"8 | OC[C@H]1CC[C@H](I)CC1" [color=lightgrey shape=box style=filled]
	4 -> "8 | OC[C@H]1CC[C@H](I)CC1" [label=""]
	"9 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	4 -> "9 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"10 | OC[C@H]1CC[C@H](Cl)CC1" [color=lightgrey shape=box style=filled]
	5 -> "10 | OC[C@H]1CC[C@H](Cl)CC1" [label=""]
	"11 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	5 -> "11 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"12 | O=C1C[C@@H](CO)CC[C@@H]1Br" [color=lightgrey shape=box style=filled]
	6 -> "12 | O=C1C[C@@H](CO)CC[C@@H]1Br" [label=""]
	"13 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	6 -> "13 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"14 | O=C1C[C@@H](CO)CC[C@@H]1Br" [color=lightgrey shape=box style=filled]
	7 -> "14 | O=C1C[C@@H](CO)CC[C@@H]1Br" [label=""]
	"15 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	7 -> "15 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"16 | O=C1C[C@@H](CO)CC[C@@H]1I" [color=lightgrey shape=box style=filled]
	8 -> "16 | O=C1C[C@@H](CO)CC[C@@H]1I" [label=""]
	"17 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	8 -> "17 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"18 | O=C1C[C@@H](CO)CC[C@@H]1I" [color=lightgrey shape=box style=filled]
	9 -> "18 | O=C1C[C@@H](CO)CC[C@@H]1I" [label=""]
	"19 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	9 -> "19 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" [label=""]
	10 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 10 [label=0.000]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 11 [label=0.000]
	12 [color=lightblue shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 17 [label=0.000]
	18 [color=lightblue shape=rarrow style=filled]
	"3 | C[C@@H](O)c1nc2cnc3ccsc3c2[nH]1" -> 18 [label=0.000]
	"20 | CC(=O)O" [color=lightyellow shape=box style=filled]
	10 -> "20 | CC(=O)O" [label=""]
	"21 | c1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	10 -> "21 | c1nc2cnc3ccsc3c2[nH]1" [label=""]
	"22 | Nc1cnc2ccsc2c1N" [color=lightgrey shape=box style=filled]
	11 -> "22 | Nc1cnc2ccsc2c1N" [label=""]
	"23 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	11 -> "23 | C[C@@H](O)C(=O)O" [label=""]
	"24 | C[C@@H](O)C(N)=O" [color=lightyellow shape=box style=filled]
	12 -> "24 | C[C@@H](O)C(N)=O" [label=""]
	"25 | Nc1cnc2ccsc2c1" [color=lightyellow shape=box style=filled]
	12 -> "25 | Nc1cnc2ccsc2c1" [label=""]
	"26 | CI" [color=lightyellow shape=box style=filled]
	13 -> "26 | CI" [label=""]
	"27 | OCc1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	13 -> "27 | OCc1nc2cnc3ccsc3c2[nH]1" [label=""]
	"28 | Nc1cnc2ccsc2c1" [color=lightyellow shape=box style=filled]
	14 -> "28 | Nc1cnc2ccsc2c1" [label=""]
	"29 | C[C@@H](O)C(N)O" [color=lightgrey shape=box style=filled]
	14 -> "29 | C[C@@H](O)C(N)O" [label=""]
	"30 | Nc1cnc2ccsc2c1N" [color=lightgrey shape=box style=filled]
	15 -> "30 | Nc1cnc2ccsc2c1N" [label=""]
	"31 | C[C@@H](O)C(=O)O" [color=lightyellow shape=box style=filled]
	15 -> "31 | C[C@@H](O)C(=O)O" [label=""]
	"32 | CC(=O)O" [color=lightyellow shape=box style=filled]
	16 -> "32 | CC(=O)O" [label=""]
	"33 | Clc1nc2cnc3ccsc3c2[nH]1" [color=lightgrey shape=box style=filled]
	16 -> "33 | Clc1nc2cnc3ccsc3c2[nH]1" [label=""]
	"34 | C[C@@H](O)C=N" [color=lightgrey shape=box style=filled]
	17 -> "34 | C[C@@H](O)C=N" [label=""]
	"35 | Nc1cnc2ccsc2c1" [color=lightyellow shape=box style=filled]
	17 -> "35 | Nc1cnc2ccsc2c1" [label=""]
	"36 | C[C@@H](O)C(N)=O" [color=lightyellow shape=box style=filled]
	18 -> "36 | C[C@@H](O)C(N)=O" [label=""]
	"37 | Nc1cnc2ccsc2c1" [color=lightyellow shape=box style=filled]
	18 -> "37 | Nc1cnc2ccsc2c1" [label=""]
}
