digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN2CCC[C@@H]2C(=O)O)cc1OC" -> 10 [label=0.000]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" [color=lightblue shape=box style=filled]
	1 -> "2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" [label=""]
	"3 | CCC[C@H](N)CCO" [color=lightyellow shape=box style=filled]
	1 -> "3 | CCC[C@H](N)CCO" [label=""]
	"4 | O=C(O)[C@H]1CCCN1" [color=lightyellow shape=box style=filled]
	2 -> "4 | O=C(O)[C@H]1CCCN1" [label=""]
	"5 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(C=O)cc1OC" [color=lightgrey shape=box style=filled]
	2 -> "5 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(C=O)cc1OC" [label=""]
	"6 | CCCC(=O)CCO" [color=lightgrey shape=box style=filled]
	3 -> "6 | CCCC(=O)CCO" [label=""]
	"7 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [color=lightgrey shape=box style=filled]
	3 -> "7 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [label=""]
	"8 | O=C(O)[C@H]1CCCN1" [color=lightyellow shape=box style=filled]
	4 -> "8 | O=C(O)[C@H]1CCCN1" [label=""]
	"9 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CCl)cc1OC" [color=lightgrey shape=box style=filled]
	4 -> "9 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CCl)cc1OC" [label=""]
	"10 | O=C(O)[C@H]1CCCN1" [color=lightyellow shape=box style=filled]
	5 -> "10 | O=C(O)[C@H]1CCCN1" [label=""]
	"11 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CBr)cc1OC" [color=lightgrey shape=box style=filled]
	5 -> "11 | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CBr)cc1OC" [label=""]
	"12 | CCCBr" [color=lightyellow shape=box style=filled]
	6 -> "12 | CCCBr" [label=""]
	"13 | CCCO" [color=lightyellow shape=box style=filled]
	6 -> "13 | CCCO" [label=""]
	"14 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [color=lightgrey shape=box style=filled]
	6 -> "14 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [label=""]
	"15 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [color=lightgrey shape=box style=filled]
	7 -> "15 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [label=""]
	"16 | CCC=CCCO" [color=lightyellow shape=box style=filled]
	7 -> "16 | CCC=CCCO" [label=""]
	"17 | O=CCC=CCCO" [color=lightgrey shape=box style=filled]
	8 -> "17 | O=CCC=CCCO" [label=""]
	"18 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [color=lightgrey shape=box style=filled]
	8 -> "18 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [label=""]
	"19 | CCC=O" [color=lightyellow shape=box style=filled]
	9 -> "19 | CCC=O" [label=""]
	"20 | CCCO" [color=lightyellow shape=box style=filled]
	9 -> "20 | CCCO" [label=""]
	"21 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [color=lightgrey shape=box style=filled]
	9 -> "21 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [label=""]
	"22 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [color=lightgrey shape=box style=filled]
	10 -> "22 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1N" [label=""]
	"23 | CCC=C=CCO" [color=lightgrey shape=box style=filled]
	10 -> "23 | CCC=C=CCO" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 19 [label=0.000]
	20 [color=lightblue shape=rarrow style=filled]
	"2 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Cc1c(C)nc(N)nc1Cl" -> 20 [label=0.000]
	"24 | O=C(O)[C@H]1CCCN1" [color=lightyellow shape=box style=filled]
	11 -> "24 | O=C(O)[C@H]1CCCN1" [label=""]
	"25 | COc1cc(C=O)ccc1Cc1c(C)nc(N)nc1Cl" [color=lightgrey shape=box style=filled]
	11 -> "25 | COc1cc(C=O)ccc1Cc1c(C)nc(N)nc1Cl" [label=""]
	"26 | O=C(O)[C@H]1CCCN1" [color=lightyellow shape=box style=filled]
	12 -> "26 | O=C(O)[C@H]1CCCN1" [label=""]
	"27 | COc1cc(CCl)ccc1Cc1c(C)nc(N)nc1Cl" [color=lightgrey shape=box style=filled]
	12 -> "27 | COc1cc(CCl)ccc1Cc1c(C)nc(N)nc1Cl" [label=""]
	"28 | Cc1nc(N)nc(Cl)c1CBr" [color=lightgrey shape=box style=filled]
	13 -> "28 | Cc1nc(N)nc(Cl)c1CBr" [label=""]
	"29 | COc1cccc(CN2CCC[C@@H]2C(=O)O)c1" [color=lightgrey shape=box style=filled]
	13 -> "29 | COc1cccc(CN2CCC[C@@H]2C(=O)O)c1" [label=""]
	"30 | Cc1cc(Cl)nc(N)n1" [color=lightyellow shape=box style=filled]
	14 -> "30 | Cc1cc(Cl)nc(N)n1" [label=""]
	"31 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1CBr" [color=lightgrey shape=box style=filled]
	14 -> "31 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1CBr" [label=""]
	"32 | COc1cc(CBr)ccc1Cc1c(C)nc(N)nc1Cl" [color=lightgrey shape=box style=filled]
	15 -> "32 | COc1cc(CBr)ccc1Cc1c(C)nc(N)nc1Cl" [label=""]
	"33 | O=C(O)[C@H]1CCCN1" [color=lightyellow shape=box style=filled]
	15 -> "33 | O=C(O)[C@H]1CCCN1" [label=""]
	"34 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1CCl" [color=lightgrey shape=box style=filled]
	16 -> "34 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1CCl" [label=""]
	"35 | Cc1cc(Cl)nc(N)n1" [color=lightyellow shape=box style=filled]
	16 -> "35 | Cc1cc(Cl)nc(N)n1" [label=""]
	"36 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Br" [color=lightgrey shape=box style=filled]
	17 -> "36 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Br" [label=""]
	"37 | Cc1nc(N)nc(Cl)c1CBr" [color=lightgrey shape=box style=filled]
	17 -> "37 | Cc1nc(N)nc(Cl)c1CBr" [label=""]
	"38 | Cc1nc(N)nc(Cl)c1C" [color=lightyellow shape=box style=filled]
	18 -> "38 | Cc1nc(N)nc(Cl)c1C" [label=""]
	"39 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Br" [color=lightgrey shape=box style=filled]
	18 -> "39 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1Br" [label=""]
	"40 | Cc1cc(Cl)nc(N)n1" [color=lightyellow shape=box style=filled]
	19 -> "40 | Cc1cc(Cl)nc(N)n1" [label=""]
	"41 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1C=O" [color=lightgrey shape=box style=filled]
	19 -> "41 | COc1cc(CN2CCC[C@@H]2C(=O)O)ccc1C=O" [label=""]
	"42 | CN1CCC[C@@H]1C(=O)O" [color=lightyellow shape=box style=filled]
	20 -> "42 | CN1CCC[C@@H]1C(=O)O" [label=""]
	"43 | Cc1cc(Cl)nc(N)n1" [color=lightyellow shape=box style=filled]
	20 -> "43 | Cc1cc(Cl)nc(N)n1" [label=""]
	"44 | COc1cc(O)ccc1CCl" [color=lightyellow shape=box style=filled]
	20 -> "44 | COc1cc(O)ccc1CCl" [label=""]
}
