digraph G {
	rankdir=LR
	node [shape=box]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1" -> 10 [label=0.000]
	"2 | Nc1ncnc2c1ccn2C1CCC1" [color=lightblue shape=box style=filled]
	1 -> "2 | Nc1ncnc2c1ccn2C1CCC1" [label=""]
	"3 | Brc1ccc2ccc(-c3ccccc3)nc2c1" [color=lightyellow shape=box style=filled]
	1 -> "3 | Brc1ccc2ccc(-c3ccccc3)nc2c1" [label=""]
	"4 | Nc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	2 -> "4 | Nc1ncnc2c1ccn2C1CCC1" [label=""]
	"5 | OB(O)c1ccc2ccc(-c3ccccc3)nc2c1" [color=lightgrey shape=box style=filled]
	2 -> "5 | OB(O)c1ccc2ccc(-c3ccccc3)nc2c1" [label=""]
	"6 | Nc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	3 -> "6 | Nc1ncnc2c1ccn2C1CCC1" [label=""]
	"7 | CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C" [color=lightyellow shape=box style=filled]
	3 -> "7 | CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C" [label=""]
	"8 | Nc1ncnc2c1c(Br)cn2C1CCC1" [color=lightgrey shape=box style=filled]
	4 -> "8 | Nc1ncnc2c1c(Br)cn2C1CCC1" [label=""]
	"9 | Brc1ccc2ccc(-c3ccccc3)nc2c1" [color=lightyellow shape=box style=filled]
	4 -> "9 | Brc1ccc2ccc(-c3ccccc3)nc2c1" [label=""]
	"10 | Ic1ccc2ccc(-c3ccccc3)nc2c1" [color=lightgrey shape=box style=filled]
	5 -> "10 | Ic1ccc2ccc(-c3ccccc3)nc2c1" [label=""]
	"11 | Nc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	5 -> "11 | Nc1ncnc2c1ccn2C1CCC1" [label=""]
	"12 | Nc1ncnc2[nH]cc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12" [color=lightgrey shape=box style=filled]
	6 -> "12 | Nc1ncnc2[nH]cc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12" [label=""]
	"13 | BrC1CCC1" [color=lightyellow shape=box style=filled]
	6 -> "13 | BrC1CCC1" [label=""]
	"14 | Nc1ncnc2c1c(Br)cn2C1CCC1" [color=lightgrey shape=box style=filled]
	7 -> "14 | Nc1ncnc2c1c(Br)cn2C1CCC1" [label=""]
	"15 | OB(O)c1ccc2ccc(-c3ccccc3)nc2c1" [color=lightgrey shape=box style=filled]
	7 -> "15 | OB(O)c1ccc2ccc(-c3ccccc3)nc2c1" [label=""]
	"16 | Nc1ncnc2c1c(Br)cn2C1CCC1" [color=lightgrey shape=box style=filled]
	8 -> "16 | Nc1ncnc2c1c(Br)cn2C1CCC1" [label=""]
	"17 | c1ccc(-c2ccc3ccccc3n2)cc1" [color=lightyellow shape=box style=filled]
	8 -> "17 | c1ccc(-c2ccc3ccccc3n2)cc1" [label=""]
	"18 | Nc1cc(NC2CCC2)ncn1" [color=lightyellow shape=box style=filled]
	9 -> "18 | Nc1cc(NC2CCC2)ncn1" [label=""]
	"19 | CC(=O)c1ccc2ccc(-c3ccccc3)nc2c1" [color=lightgrey shape=box style=filled]
	9 -> "19 | CC(=O)c1ccc2ccc(-c3ccccc3)nc2c1" [label=""]
	"20 | Nc1ncnc2[nH]cc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12" [color=lightgrey shape=box style=filled]
	10 -> "20 | Nc1ncnc2[nH]cc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12" [label=""]
	"21 | OB(O)C1CCC1" [color=lightyellow shape=box style=filled]
	10 -> "21 | OB(O)C1CCC1" [label=""]
	11 [color=lightblue shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 11 [label=0.000]
	12 [color=lightblue shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 12 [label=0.000]
	13 [color=lightblue shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"2 | Nc1ncnc2c1ccn2C1CCC1" -> 20 [label=0.000]
	"22 | Nc1ncnc2[nH]ccc12" [color=lightyellow shape=box style=filled]
	11 -> "22 | Nc1ncnc2[nH]ccc12" [label=""]
	"23 | BrC1CCC1" [color=lightyellow shape=box style=filled]
	11 -> "23 | BrC1CCC1" [label=""]
	"24 | Nc1ncnc2[nH]ccc12" [color=lightyellow shape=box style=filled]
	12 -> "24 | Nc1ncnc2[nH]ccc12" [label=""]
	"25 | OB(O)C1CCC1" [color=lightyellow shape=box style=filled]
	12 -> "25 | OB(O)C1CCC1" [label=""]
	"26 | Nc1ncnc2[nH]ccc12" [color=lightyellow shape=box style=filled]
	13 -> "26 | Nc1ncnc2[nH]ccc12" [label=""]
	"27 | O=C1CCC1" [color=lightyellow shape=box style=filled]
	13 -> "27 | O=C1CCC1" [label=""]
	"28 | Clc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	14 -> "28 | Clc1ncnc2c1ccn2C1CCC1" [label=""]
	"29 | N" [color=lightyellow shape=box style=filled]
	14 -> "29 | N" [label=""]
	"30 | c1ncc2ccn(C3CCC3)c2n1" [color=lightgrey shape=box style=filled]
	15 -> "30 | c1ncc2ccn(C3CCC3)c2n1" [label=""]
	"31 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	15 -> "31 | CC(C)(C)OC(N)=O" [label=""]
	"32 | N" [color=lightyellow shape=box style=filled]
	16 -> "32 | N" [label=""]
	"33 | Brc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	16 -> "33 | Brc1ncnc2c1ccn2C1CCC1" [label=""]
	"34 | Clc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	17 -> "34 | Clc1ncnc2c1ccn2C1CCC1" [label=""]
	"35 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	17 -> "35 | CC(C)(C)OC(N)=O" [label=""]
	"36 | Clc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	18 -> "36 | Clc1ncnc2c1ccn2C1CCC1" [label=""]
	"37 | N=O" [color=lightgrey shape=box style=filled]
	18 -> "37 | N=O" [label=""]
	"38 | Clc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	19 -> "38 | Clc1ncnc2c1ccn2C1CCC1" [label=""]
	"39 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	19 -> "39 | CC(C)(C)OC(N)=O" [label=""]
	"40 | Brc1ncnc2c1ccn2C1CCC1" [color=lightgrey shape=box style=filled]
	20 -> "40 | Brc1ncnc2c1ccn2C1CCC1" [label=""]
	"41 | CC(C)(C)OC(N)=O" [color=lightyellow shape=box style=filled]
	20 -> "41 | CC(C)(C)OC(N)=O" [label=""]
}
