digraph G {
	rankdir=LR
	node [shape=box]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 6 [label=0.000]
	7 [color=lightblue shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 10 [label=0.000]
	"2 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	1 -> "2 | FC(F)(F)Cn1cncn1" [label=""]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=aquamarine shape=box style=filled]
	1 -> "3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"4 | FC(F)(F)Cn1ncnc1Br" [color=lightblue shape=box style=filled]
	2 -> "4 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=aquamarine shape=box style=filled]
	2 -> "5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"6 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	3 -> "6 | FC(F)(F)Cn1cncn1" [label=""]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=aquamarine shape=box style=filled]
	3 -> "7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"8 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	4 -> "8 | BrC1CCNCC1" [label=""]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=aquamarine shape=box style=filled]
	4 -> "9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"10 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	5 -> "10 | FC(F)(F)Cn1cncn1" [label=""]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=aquamarine shape=box style=filled]
	5 -> "11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"12 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	6 -> "12 | C1CCNCC1" [label=""]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=aquamarine shape=box style=filled]
	6 -> "13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"14 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	7 -> "14 | C1CCNCC1" [label=""]
	"15 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	7 -> "15 | FC(F)(F)Cn1cncn1" [label=""]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightblue shape=box style=filled]
	7 -> "16 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"17 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	8 -> "17 | C1CCNCC1" [label=""]
	"18 | Clc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	8 -> "18 | Clc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"19 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	8 -> "19 | FC(F)(F)Cn1cncn1" [label=""]
	"20 | C=NNCC(F)(F)F" [color=lightgrey shape=box style=filled]
	9 -> "20 | C=NNCC(F)(F)F" [label=""]
	"21 | NC(=O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [color=lightgrey shape=box style=filled]
	9 -> "21 | NC(=O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" [label=""]
	"22 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	10 -> "22 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"23 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	10 -> "23 | OB(O)C1CCNCC1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"3 | Brc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 20 [label=0.000]
	21 [color=lightblue shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1Br" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1Br" -> 22 [label=0.000]
	23 [color=lightblue shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1Br" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | FC(F)(F)Cn1ncnc1Br" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"5 | c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"7 | Clc1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"9 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"11 | OB(O)c1cc2n(n1)-c1cc(C3CCNCC3)ccc1OCC2" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"13 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1cc(Br)ccc1OCC2" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 80 [label=0.000]
	81 [color=lightblue shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 81 [label=0.000]
	82 [color=lightblue shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 83 [label=0.000]
	84 [color=lightblue shape=rarrow style=filled]
	"16 | Brc1ccc2c(c1)-n1nccc1CCO2" -> 84 [label=0.000]
	"24 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	11 -> "24 | BrC1CCNCC1" [label=""]
	"25 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	11 -> "25 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"26 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	12 -> "26 | C1CCNCC1" [label=""]
	"27 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	12 -> "27 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"28 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	13 -> "28 | OB(O)C1CCNCC1" [label=""]
	"29 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	13 -> "29 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"30 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	14 -> "30 | BrC1CCNCC1" [label=""]
	"31 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	14 -> "31 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"32 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	15 -> "32 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"33 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	15 -> "33 | OB(O)C1CCNCC1" [label=""]
	"34 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	16 -> "34 | BrC1CCNCC1" [label=""]
	"35 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	16 -> "35 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"36 | Oc1ccc(C2CCNCC2)cc1-n1nc(Br)cc1CCBr" [color=lightgrey shape=box style=filled]
	17 -> "36 | Oc1ccc(C2CCNCC2)cc1-n1nc(Br)cc1CCBr" [label=""]
	"37 | O=C1CCNCC1" [color=lightyellow shape=box style=filled]
	18 -> "37 | O=C1CCNCC1" [label=""]
	"38 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	18 -> "38 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"39 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	19 -> "39 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"40 | O=C1CCNCC1" [color=lightyellow shape=box style=filled]
	19 -> "40 | O=C1CCNCC1" [label=""]
	"41 | CC1(C)OB(C2CCNCC2)OC1(C)C" [color=lightyellow shape=box style=filled]
	20 -> "41 | CC1(C)OB(C2CCNCC2)OC1(C)C" [label=""]
	"42 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	20 -> "42 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"43 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	21 -> "43 | Brc1ncn[nH]1" [label=""]
	"44 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	21 -> "44 | FC(F)(F)CI" [label=""]
	"45 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	22 -> "45 | Brc1ncn[nH]1" [label=""]
	"46 | FC(F)(F)CBr" [color=lightgrey shape=box style=filled]
	22 -> "46 | FC(F)(F)CBr" [label=""]
	"47 | Brc1ncn[nH]1" [color=lightyellow shape=box style=filled]
	23 -> "47 | Brc1ncn[nH]1" [label=""]
	"48 | O=CC(F)(F)F" [color=lightyellow shape=box style=filled]
	23 -> "48 | O=CC(F)(F)F" [label=""]
	"49 | O=Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	24 -> "49 | O=Cn1ncnc1Br" [label=""]
	"50 | FBr" [color=lightgrey shape=box style=filled]
	24 -> "50 | FBr" [label=""]
	"51 | FCl" [color=lightgrey shape=box style=filled]
	24 -> "51 | FCl" [label=""]
	"52 | O=C(F)Br" [color=lightgrey shape=box style=filled]
	24 -> "52 | O=C(F)Br" [label=""]
	"53 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	25 -> "53 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"54 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	25 -> "54 | BrC1CCNCC1" [label=""]
	"55 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	26 -> "55 | C1CCNCC1" [label=""]
	"56 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	26 -> "56 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"57 | Oc1ccc(C2CCNCC2)cc1-n1nccc1CCBr" [color=lightgrey shape=box style=filled]
	27 -> "57 | Oc1ccc(C2CCNCC2)cc1-n1nccc1CCBr" [label=""]
	"58 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	28 -> "58 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"59 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	28 -> "59 | OB(O)C1CCNCC1" [label=""]
	"60 | OCCc1ccnn1-c1cc(C2CCNCC2)ccc1O" [color=lightgrey shape=box style=filled]
	29 -> "60 | OCCc1ccnn1-c1cc(C2CCNCC2)ccc1O" [label=""]
	"61 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	30 -> "61 | BrC1CCNCC1" [label=""]
	"62 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	30 -> "62 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"63 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	31 -> "63 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"64 | CC1(C)OB(C2CCNCC2)OC1(C)C" [color=lightyellow shape=box style=filled]
	31 -> "64 | CC1(C)OB(C2CCNCC2)OC1(C)C" [label=""]
	"65 | Oc1ccc(C2CCNCC2)cc1-n1nccc1CCCl" [color=lightgrey shape=box style=filled]
	32 -> "65 | Oc1ccc(C2CCNCC2)cc1-n1nccc1CCCl" [label=""]
	"66 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	33 -> "66 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"67 | O=C1CCNCC1" [color=lightyellow shape=box style=filled]
	33 -> "67 | O=C1CCNCC1" [label=""]
	"68 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	34 -> "68 | BrC1CCNCC1" [label=""]
	"69 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	34 -> "69 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"70 | Clc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	35 -> "70 | Clc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"71 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	35 -> "71 | BrC1CCNCC1" [label=""]
	"72 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	36 -> "72 | C1CCNCC1" [label=""]
	"73 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	36 -> "73 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"74 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	37 -> "74 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"75 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	37 -> "75 | BrC1CCNCC1" [label=""]
	"76 | Clc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	38 -> "76 | Clc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"77 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	38 -> "77 | OB(O)C1CCNCC1" [label=""]
	"78 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	39 -> "78 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"79 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	39 -> "79 | BrC1CCNCC1" [label=""]
	"80 | Oc1ccc(C2CCNCC2)cc1-n1nc(Cl)cc1CCBr" [color=lightgrey shape=box style=filled]
	40 -> "80 | Oc1ccc(C2CCNCC2)cc1-n1nc(Cl)cc1CCBr" [label=""]
	"81 | OCCc1cc(Cl)nn1-c1cc(C2CCNCC2)ccc1O" [color=lightgrey shape=box style=filled]
	41 -> "81 | OCCc1cc(Cl)nn1-c1cc(C2CCNCC2)ccc1O" [label=""]
	"82 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	42 -> "82 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"83 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	42 -> "83 | OB(O)C1CCNCC1" [label=""]
	"84 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	43 -> "84 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"85 | O=C1CCNCC1" [color=lightyellow shape=box style=filled]
	43 -> "85 | O=C1CCNCC1" [label=""]
	"86 | Clc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	44 -> "86 | Clc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"87 | O=C1CCNCC1" [color=lightyellow shape=box style=filled]
	44 -> "87 | O=C1CCNCC1" [label=""]
	"88 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	45 -> "88 | FC(F)(F)Cn1cncn1" [label=""]
	"89 | Brc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	45 -> "89 | Brc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"90 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	46 -> "90 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"91 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	46 -> "91 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"92 | Clc1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	47 -> "92 | Clc1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"93 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	47 -> "93 | FC(F)(F)Cn1cncn1" [label=""]
	"94 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	48 -> "94 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"95 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	48 -> "95 | FC(F)(F)Cn1cncn1" [label=""]
	"96 | Oc1ccccc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	49 -> "96 | Oc1ccccc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"97 | c1ccc2c(c1)OCCc1cc(-c3ncn[nH]3)nn1-2" [color=lightgrey shape=box style=filled]
	50 -> "97 | c1ccc2c(c1)OCCc1cc(-c3ncn[nH]3)nn1-2" [label=""]
	"98 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	50 -> "98 | FC(F)(F)CI" [label=""]
	"99 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	51 -> "99 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"100 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	51 -> "100 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"101 | C=NNCC(F)(F)F" [color=lightgrey shape=box style=filled]
	52 -> "101 | C=NNCC(F)(F)F" [label=""]
	"102 | NC(=O)c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	52 -> "102 | NC(=O)c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"103 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1ccccc1O" [color=lightgrey shape=box style=filled]
	53 -> "103 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1ccccc1O" [label=""]
	"104 | Oc1ccccc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	54 -> "104 | Oc1ccccc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	"105 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	55 -> "105 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"106 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	55 -> "106 | BrC1CCNCC1" [label=""]
	"107 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	56 -> "107 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"108 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	56 -> "108 | BrC1CCNCC1" [label=""]
	"109 | C1CCNCC1" [color=lightyellow shape=box style=filled]
	57 -> "109 | C1CCNCC1" [label=""]
	"110 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	57 -> "110 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"111 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	58 -> "111 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"112 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	58 -> "112 | OB(O)C1CCNCC1" [label=""]
	"113 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	59 -> "113 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"114 | OB(O)C1CCNCC1" [color=lightyellow shape=box style=filled]
	59 -> "114 | OB(O)C1CCNCC1" [label=""]
	"115 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	60 -> "115 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"116 | BrC1CCNCC1" [color=lightyellow shape=box style=filled]
	60 -> "116 | BrC1CCNCC1" [label=""]
	"117 | OCCc1cc(B(O)O)nn1-c1cc(C2CCNCC2)ccc1O" [color=lightgrey shape=box style=filled]
	61 -> "117 | OCCc1cc(B(O)O)nn1-c1cc(C2CCNCC2)ccc1O" [label=""]
	"118 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	62 -> "118 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"119 | O=C1CCNCC1" [color=lightyellow shape=box style=filled]
	62 -> "119 | O=C1CCNCC1" [label=""]
	"120 | OB(O)c1cc(CCBr)n(-c2cc(C3CCNCC3)ccc2O)n1" [color=lightgrey shape=box style=filled]
	63 -> "120 | OB(O)c1cc(CCBr)n(-c2cc(C3CCNCC3)ccc2O)n1" [label=""]
	"121 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	64 -> "121 | OB(O)c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"122 | O=C1CCNCC1" [color=lightyellow shape=box style=filled]
	64 -> "122 | O=C1CCNCC1" [label=""]
	"123 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	65 -> "123 | FC(F)(F)Cn1cncn1" [label=""]
	"124 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [color=lightgrey shape=box style=filled]
	65 -> "124 | Brc1ccc2c(c1)-n1nc(Br)cc1CCO2" [label=""]
	"125 | FC(F)(F)Cn1ncnc1Br" [color=lightgrey shape=box style=filled]
	66 -> "125 | FC(F)(F)Cn1ncnc1Br" [label=""]
	"126 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	66 -> "126 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"127 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [color=lightgrey shape=box style=filled]
	67 -> "127 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCBr" [label=""]
	"128 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	68 -> "128 | OCCc1cc(-c2ncnn2CC(F)(F)F)nn1-c1cc(Br)ccc1O" [label=""]
	"129 | FC(F)(F)Cn1ncnc1Cl" [color=lightgrey shape=box style=filled]
	69 -> "129 | FC(F)(F)Cn1ncnc1Cl" [label=""]
	"130 | Brc1ccc2c(c1)-n1nccc1CCO2" [color=lightgrey shape=box style=filled]
	69 -> "130 | Brc1ccc2c(c1)-n1nccc1CCO2" [label=""]
	"131 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	70 -> "131 | Clc1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"132 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	70 -> "132 | FC(F)(F)Cn1cncn1" [label=""]
	"133 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [color=lightgrey shape=box style=filled]
	71 -> "133 | Brc1ccc2c(c1)-n1nc(-c3ncn[nH]3)cc1CCO2" [label=""]
	"134 | FC(F)(F)CI" [color=lightyellow shape=box style=filled]
	71 -> "134 | FC(F)(F)CI" [label=""]
	"135 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [color=lightgrey shape=box style=filled]
	72 -> "135 | OB(O)c1cc2n(n1)-c1cc(Br)ccc1OCC2" [label=""]
	"136 | FC(F)(F)Cn1cncn1" [color=lightyellow shape=box style=filled]
	72 -> "136 | FC(F)(F)Cn1cncn1" [label=""]
	"137 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	73 -> "137 | O=C1CCC(=O)N1Br" [label=""]
	"138 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [color=lightgrey shape=box style=filled]
	73 -> "138 | FC(F)(F)Cn1ncnc1-c1cc2n(n1)-c1ccccc1OCC2" [label=""]
	"139 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [color=lightgrey shape=box style=filled]
	74 -> "139 | Oc1ccc(Br)cc1-n1nc(-c2ncnn2CC(F)(F)F)cc1CCCl" [label=""]
	"140 | OCCc1ccnn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	75 -> "140 | OCCc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"141 | Oc1ccc(Br)cc1-n1nccc1CCBr" [color=lightgrey shape=box style=filled]
	76 -> "141 | Oc1ccc(Br)cc1-n1nccc1CCBr" [label=""]
	"142 | c1ccc2c(c1)OCCc1ccnn1-2" [color=lightgrey shape=box style=filled]
	77 -> "142 | c1ccc2c(c1)OCCc1ccnn1-2" [label=""]
	"143 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	77 -> "143 | O=C1CCC(=O)N1Br" [label=""]
	"144 | Oc1ccc(Br)cc1-n1nccc1CCI" [color=lightgrey shape=box style=filled]
	78 -> "144 | Oc1ccc(Br)cc1-n1nccc1CCI" [label=""]
	"145 | O=C(O)Cc1ccnn1-c1cc(Br)ccc1O" [color=lightgrey shape=box style=filled]
	79 -> "145 | O=C(O)Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"146 | Oc1ccc(Br)cc1-n1nccc1CCCl" [color=lightgrey shape=box style=filled]
	80 -> "146 | Oc1ccc(Br)cc1-n1nccc1CCCl" [label=""]
	"147 | CI" [color=lightyellow shape=box style=filled]
	81 -> "147 | CI" [label=""]
	"148 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	81 -> "148 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"149 | CO" [color=lightyellow shape=box style=filled]
	82 -> "149 | CO" [label=""]
	"150 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	82 -> "150 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"151 | OCCc1ccnn1-c1cc(Br)ccc1Br" [color=lightgrey shape=box style=filled]
	83 -> "151 | OCCc1ccnn1-c1cc(Br)ccc1Br" [label=""]
	"152 | Cc1ccnn1-c1cc(Br)ccc1O" [color=lightyellow shape=box style=filled]
	84 -> "152 | Cc1ccnn1-c1cc(Br)ccc1O" [label=""]
	"153 | C[Mg+]" [color=lightyellow shape=box style=filled]
	84 -> "153 | C[Mg+]" [label=""]
}
