digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 2 [label=0.000]
	3 [color=lightblue shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 10 [label=0.000]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	1 -> "2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"3 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	1 -> "3 | C1CNCCN1" [label=""]
	"4 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	2 -> "4 | C1CNCCN1" [label=""]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	2 -> "5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"6 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	3 -> "6 | CC(=O)Cl" [label=""]
	"7 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	3 -> "7 | C1CNCCN1" [label=""]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightblue shape=box style=filled]
	3 -> "8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"9 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	4 -> "9 | CC(=O)Cl" [label=""]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	4 -> "10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" [label=""]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	5 -> "11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"12 | BrN1CCNCC1" [color=lightblue shape=box style=filled]
	5 -> "12 | BrN1CCNCC1" [label=""]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	6 -> "13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"14 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	6 -> "14 | C1CNCCN1" [label=""]
	"15 | CC(=O)O" [color=lightyellow shape=box style=filled]
	7 -> "15 | CC(=O)O" [label=""]
	"16 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	7 -> "16 | C1CNCCN1" [label=""]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	7 -> "17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"18 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	8 -> "18 | C1CNCCN1" [label=""]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	8 -> "19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	9 -> "20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"21 | BrN1CCNCC1" [color=lightblue shape=box style=filled]
	9 -> "21 | BrN1CCNCC1" [label=""]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	10 -> "22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"23 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	10 -> "23 | C1CNCCN1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"2 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"5 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 32 [label=0.000]
	33 [color=lightblue shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"8 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"10 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 60 [label=0.000]
	61 [color=lightblue shape=rarrow style=filled]
	"12 | BrN1CCNCC1" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"12 | BrN1CCNCC1" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"12 | BrN1CCNCC1" -> 63 [label=0.000]
	64 [color=lightblue shape=rarrow style=filled]
	"12 | BrN1CCNCC1" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"12 | BrN1CCNCC1" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"17 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"19 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 103 [label=0.000]
	104 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 104 [label=0.000]
	105 [color=aquamarine shape=rarrow style=filled]
	"20 | CC(=O)N1c2ccc(Cl)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 105 [label=0.000]
	106 [color=lightblue shape=rarrow style=filled]
	"21 | BrN1CCNCC1" -> 106 [label=0.000]
	107 [color=aquamarine shape=rarrow style=filled]
	"21 | BrN1CCNCC1" -> 107 [label=0.000]
	108 [color=aquamarine shape=rarrow style=filled]
	"21 | BrN1CCNCC1" -> 108 [label=0.000]
	109 [color=lightblue shape=rarrow style=filled]
	"21 | BrN1CCNCC1" -> 109 [label=0.000]
	110 [color=aquamarine shape=rarrow style=filled]
	"21 | BrN1CCNCC1" -> 110 [label=0.000]
	111 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 111 [label=0.000]
	112 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 112 [label=0.000]
	113 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 113 [label=0.000]
	114 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 114 [label=0.000]
	115 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 115 [label=0.000]
	116 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 116 [label=0.000]
	117 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 117 [label=0.000]
	118 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 118 [label=0.000]
	119 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 119 [label=0.000]
	120 [color=aquamarine shape=rarrow style=filled]
	"22 | CC(=O)N1c2ccc(Cl)nc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 120 [label=0.000]
	"24 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	11 -> "24 | CC(=O)Cl" [label=""]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	11 -> "25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"26 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	12 -> "26 | Nc1ccccc1" [label=""]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	12 -> "27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"28 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	13 -> "28 | Nc1ccccc1" [label=""]
	"29 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	13 -> "29 | CC(=O)Cl" [label=""]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	13 -> "30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"31 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	14 -> "31 | CC(=O)Cl" [label=""]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [color=aquamarine shape=box style=filled]
	14 -> "32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [label=""]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [color=aquamarine shape=box style=filled]
	15 -> "33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [label=""]
	"34 | [NH]c1ccccc1" [color=lightblue shape=box style=filled]
	16 -> "34 | [NH]c1ccccc1" [label=""]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	16 -> "35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" [label=""]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	17 -> "36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"37 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	17 -> "37 | O=C1CCC(=O)N1Cl" [label=""]
	"38 | CC(=O)O" [color=lightyellow shape=box style=filled]
	18 -> "38 | CC(=O)O" [label=""]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	18 -> "39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" [color=aquamarine shape=box style=filled]
	19 -> "40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" [label=""]
	"41 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	20 -> "41 | [Mg+]C1CC1" [label=""]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" [color=aquamarine shape=box style=filled]
	20 -> "42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" [label=""]
	"43 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	21 -> "43 | CC(=O)Cl" [label=""]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	21 -> "44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"45 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	22 -> "45 | Nc1ccccc1" [label=""]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	22 -> "46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=aquamarine shape=box style=filled]
	23 -> "47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"48 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	23 -> "48 | O=C1CCC(=O)N1Br" [label=""]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [color=aquamarine shape=box style=filled]
	24 -> "49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [label=""]
	"50 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	25 -> "50 | Nc1ccccc1" [label=""]
	"51 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	25 -> "51 | CC(=O)Cl" [label=""]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	25 -> "52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [color=aquamarine shape=box style=filled]
	26 -> "53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [label=""]
	"54 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	26 -> "54 | CC(=O)Cl" [label=""]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" [color=aquamarine shape=box style=filled]
	27 -> "55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" [label=""]
	"56 | CC(=O)O" [color=lightyellow shape=box style=filled]
	28 -> "56 | CC(=O)O" [label=""]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	28 -> "57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" [color=aquamarine shape=box style=filled]
	29 -> "58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" [label=""]
	"59 | BrC1CC1" [color=lightyellow shape=box style=filled]
	29 -> "59 | BrC1CC1" [label=""]
	"60 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	30 -> "60 | OB(O)C1CC1" [label=""]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" [color=aquamarine shape=box style=filled]
	30 -> "61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" [label=""]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	31 -> "62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" [label=""]
	"63 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	31 -> "63 | Nc1ccccc1" [label=""]
	"64 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	32 -> "64 | Nc1ccccc1" [label=""]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" [color=aquamarine shape=box style=filled]
	32 -> "65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" [label=""]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" [color=lightblue shape=box style=filled]
	33 -> "66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" [label=""]
	"67 | [NH]c1ccccc1" [color=lightblue shape=box style=filled]
	33 -> "67 | [NH]c1ccccc1" [label=""]
	"68 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	34 -> "68 | Nc1ccccc1" [label=""]
	"69 | C[C@@H]1[C@@H](Br)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	34 -> "69 | C[C@@H]1[C@@H](Br)c2ncccc2N[C@H]1C1CC1" [label=""]
	"70 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	35 -> "70 | Nc1ccccc1" [label=""]
	"71 | C[C@@H]1[C@@H](Cl)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	35 -> "71 | C[C@@H]1[C@@H](Cl)c2ncccc2N[C@H]1C1CC1" [label=""]
	"72 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	36 -> "72 | [Mg+]C1CC1" [label=""]
	"73 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	36 -> "73 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [label=""]
	"74 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	37 -> "74 | OB(O)C1CC1" [label=""]
	"75 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	37 -> "75 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [label=""]
	"76 | BrC1CC1" [color=lightyellow shape=box style=filled]
	38 -> "76 | BrC1CC1" [label=""]
	"77 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	38 -> "77 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [label=""]
	"78 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	39 -> "78 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" [label=""]
	"79 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	39 -> "79 | O=Nc1ccccc1" [label=""]
	"80 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [color=lightgrey shape=box style=filled]
	40 -> "80 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [label=""]
	"81 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	41 -> "81 | C1CNCCN1" [label=""]
	"82 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	41 -> "82 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"83 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	42 -> "83 | C1CNCCN1" [label=""]
	"84 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	42 -> "84 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"85 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	43 -> "85 | Nc1ccccc1" [label=""]
	"86 | C[C@@H]1C(=O)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	43 -> "86 | C[C@@H]1C(=O)c2nc(N3CCNCC3)ccc2N[C@H]1C1CC1" [label=""]
	"87 | BrN1CCNCC1" [color=lightgrey shape=box style=filled]
	44 -> "87 | BrN1CCNCC1" [label=""]
	"88 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	44 -> "88 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"89 | CC1(C)OB(N2CCNCC2)OC1(C)C" [color=lightgrey shape=box style=filled]
	45 -> "89 | CC1(C)OB(N2CCNCC2)OC1(C)C" [label=""]
	"90 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	45 -> "90 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"91 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	46 -> "91 | C1CNCCN1" [label=""]
	"92 | C[C@@H]1C(=Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	46 -> "92 | C[C@@H]1C(=Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"93 | CC1(C)OB(N2CCNCC2)OC1(C)C" [color=lightgrey shape=box style=filled]
	47 -> "93 | CC1(C)OB(N2CCNCC2)OC1(C)C" [label=""]
	"94 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	47 -> "94 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"95 | BrN1CCNCC1" [color=lightgrey shape=box style=filled]
	48 -> "95 | BrN1CCNCC1" [label=""]
	"96 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	48 -> "96 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"97 | C[C@@H]1C(=Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	49 -> "97 | C[C@@H]1C(=Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"98 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	49 -> "98 | C1CNCCN1" [label=""]
	"99 | CC1(C)OB(N2CCNCC2)OC1(C)C" [color=lightgrey shape=box style=filled]
	50 -> "99 | CC1(C)OB(N2CCNCC2)OC1(C)C" [label=""]
	"100 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	50 -> "100 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"101 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	51 -> "101 | CC(=O)Cl" [label=""]
	"102 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	51 -> "102 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"103 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	52 -> "103 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [label=""]
	"104 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	52 -> "104 | CC(=O)Cl" [label=""]
	"105 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	52 -> "105 | Nc1ccccc1" [label=""]
	"106 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	53 -> "106 | Nc1ccccc1" [label=""]
	"107 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	53 -> "107 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"108 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	54 -> "108 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"109 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	54 -> "109 | [Mg+]C1CC1" [label=""]
	"110 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [color=lightgrey shape=box style=filled]
	55 -> "110 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [label=""]
	"111 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	55 -> "111 | CC(=O)Cl" [label=""]
	"112 | CC(=O)N1c2cccnc2[C][C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	56 -> "112 | CC(=O)N1c2cccnc2[C][C@@H](C)[C@@H]1C1CC1" [label=""]
	"113 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	56 -> "113 | [NH]c1ccccc1" [label=""]
	"114 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	57 -> "114 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"115 | BrC1CC1" [color=lightyellow shape=box style=filled]
	57 -> "115 | BrC1CC1" [label=""]
	"116 | CC(=O)Nc1cccnc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	58 -> "116 | CC(=O)Nc1cccnc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [label=""]
	"117 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	59 -> "117 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"118 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	59 -> "118 | OB(O)C1CC1" [label=""]
	"119 | CC(=O)O" [color=lightyellow shape=box style=filled]
	60 -> "119 | CC(=O)O" [label=""]
	"120 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	60 -> "120 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"121 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	61 -> "121 | O=C1CCC(=O)N1Br" [label=""]
	"122 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	61 -> "122 | C1CNCCN1" [label=""]
	"123 | OBr" [color=lightgrey shape=box style=filled]
	62 -> "123 | OBr" [label=""]
	"124 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	62 -> "124 | C1CNCCN1" [label=""]
	"125 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	63 -> "125 | C1CNCCN1" [label=""]
	"126 | ClBr" [color=lightgrey shape=box style=filled]
	63 -> "126 | ClBr" [label=""]
	"127 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	64 -> "127 | BrC(Br)(Br)Br" [label=""]
	"128 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	64 -> "128 | C1CNCCN1" [label=""]
	"129 | O=[N+]1CCNCC1" [color=lightgrey shape=box style=filled]
	65 -> "129 | O=[N+]1CCNCC1" [label=""]
	"130 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	65 -> "130 | BrC(Br)(Br)Br" [label=""]
	"131 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	66 -> "131 | O=Nc1ccccc1" [label=""]
	"132 | CC(=O)N1c2cccnc2C[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	66 -> "132 | CC(=O)N1c2cccnc2C[C@@H](C)[C@@H]1C1CC1" [label=""]
	"133 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	67 -> "133 | Nc1ccccc1" [label=""]
	"134 | CC(=O)N1c2cccnc2C(Cl)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	67 -> "134 | CC(=O)N1c2cccnc2C(Cl)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"135 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	68 -> "135 | CC(=O)Cl" [label=""]
	"136 | C[C@@H]1C(=Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	68 -> "136 | C[C@@H]1C(=Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"137 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	69 -> "137 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [label=""]
	"138 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	69 -> "138 | CC(=O)Cl" [label=""]
	"139 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	69 -> "139 | Nc1ccccc1" [label=""]
	"140 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	70 -> "140 | Nc1ccccc1" [label=""]
	"141 | CC(=O)N1c2cccnc2C(Br)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	70 -> "141 | CC(=O)N1c2cccnc2C(Br)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"142 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	71 -> "142 | Nc1ccccc1" [label=""]
	"143 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	71 -> "143 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"144 | C[C@@H](CC1CC1)C(=Nc1ccccc1)c1ncccc1N" [color=lightgrey shape=box style=filled]
	72 -> "144 | C[C@@H](CC1CC1)C(=Nc1ccccc1)c1ncccc1N" [label=""]
	"145 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	72 -> "145 | CC(=O)Cl" [label=""]
	"146 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	73 -> "146 | O=Nc1ccccc1" [label=""]
	"147 | CC(=O)N1c2cccnc2C(Cl)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	73 -> "147 | CC(=O)N1c2cccnc2C(Cl)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"148 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=Nc1ccccc1)c1ncccc1Br" [color=lightgrey shape=box style=filled]
	74 -> "148 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=Nc1ccccc1)c1ncccc1Br" [label=""]
	"149 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	75 -> "149 | O=Nc1ccccc1" [label=""]
	"150 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	75 -> "150 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"151 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	76 -> "151 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" [label=""]
	"152 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	76 -> "152 | Nc1ccccc1" [label=""]
	"153 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	77 -> "153 | Nc1ccccc1" [label=""]
	"154 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	77 -> "154 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" [label=""]
	"155 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	78 -> "155 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" [label=""]
	"156 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	78 -> "156 | [NH]c1ccccc1" [label=""]
	"157 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	79 -> "157 | Nc1ccccc1" [label=""]
	"158 | C[C@@H]1[C@@H](Br)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	79 -> "158 | C[C@@H]1[C@@H](Br)c2ncccc2N[C@H]1C1CC1" [label=""]
	"159 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	80 -> "159 | Nc1ccccc1" [label=""]
	"160 | C[C@@H]1[C@@H](Cl)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	80 -> "160 | C[C@@H]1[C@@H](Cl)c2ncccc2N[C@H]1C1CC1" [label=""]
	"161 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	81 -> "161 | [Mg+]C1CC1" [label=""]
	"162 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	81 -> "162 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [label=""]
	"163 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	82 -> "163 | OB(O)C1CC1" [label=""]
	"164 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	82 -> "164 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [label=""]
	"165 | BrC1CC1" [color=lightyellow shape=box style=filled]
	83 -> "165 | BrC1CC1" [label=""]
	"166 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	83 -> "166 | C[C@H]1CNc2cccnc2[C@@H]1Nc1ccccc1" [label=""]
	"167 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	84 -> "167 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" [label=""]
	"168 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	84 -> "168 | O=Nc1ccccc1" [label=""]
	"169 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [color=lightgrey shape=box style=filled]
	85 -> "169 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [label=""]
	"170 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	86 -> "170 | CC(=O)Cl" [label=""]
	"171 | C[C@@H]1[C@@H](Nc2ccccc2)c2c(ccc(Br)[n+]2Br)N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	86 -> "171 | C[C@@H]1[C@@H](Nc2ccccc2)c2c(ccc(Br)[n+]2Br)N[C@H]1C1CC1" [label=""]
	"172 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	87 -> "172 | Nc1ccccc1" [label=""]
	"173 | CC(=O)N1c2ccc(Br)[n+](Br)c2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	87 -> "173 | CC(=O)N1c2ccc(Br)[n+](Br)c2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"174 | CC(=O)N1c2ccc[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	88 -> "174 | CC(=O)N1c2ccc[n+](Br)c2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"175 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	88 -> "175 | O=C1CCC(=O)N1Br" [label=""]
	"176 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	89 -> "176 | O=C1CCC(=O)N1Br" [label=""]
	"177 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	89 -> "177 | CC(=O)N1c2ccc(Br)nc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"178 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	90 -> "178 | Nc1ccccc1" [label=""]
	"179 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	90 -> "179 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"180 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	91 -> "180 | Nc1ccccc1" [label=""]
	"181 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	91 -> "181 | CC(=O)Cl" [label=""]
	"182 | C[C@@H]1Cc2c(ccc(Br)[n+]2Br)N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	91 -> "182 | C[C@@H]1Cc2c(ccc(Br)[n+]2Br)N[C@H]1C1CC1" [label=""]
	"183 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	92 -> "183 | Nc1ccccc1" [label=""]
	"184 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Cl)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	92 -> "184 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Cl)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"185 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	93 -> "185 | Nc1ccccc1" [label=""]
	"186 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Br)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	93 -> "186 | CC(=O)N1c2ccc(Br)[n+](Br)c2[C@H](Br)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"187 | CC(=O)O" [color=lightyellow shape=box style=filled]
	94 -> "187 | CC(=O)O" [label=""]
	"188 | C[C@@H]1[C@@H](Nc2ccccc2)c2c(ccc(Br)[n+]2Br)N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	94 -> "188 | C[C@@H]1[C@@H](Nc2ccccc2)c2c(ccc(Br)[n+]2Br)N[C@H]1C1CC1" [label=""]
	"189 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	95 -> "189 | CC(=O)Cl" [label=""]
	"190 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1c(N)ccc(Br)[n+]1Br" [color=lightgrey shape=box style=filled]
	95 -> "190 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1c(N)ccc(Br)[n+]1Br" [label=""]
	"191 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	96 -> "191 | CC(=O)Cl" [label=""]
	"192 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	96 -> "192 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"193 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	97 -> "193 | Nc1ccccc1" [label=""]
	"194 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	97 -> "194 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"195 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	98 -> "195 | Nc1ccccc1" [label=""]
	"196 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	98 -> "196 | CC(=O)Cl" [label=""]
	"197 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	98 -> "197 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"198 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	99 -> "198 | CC(=O)Cl" [label=""]
	"199 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	99 -> "199 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [label=""]
	"200 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	100 -> "200 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [label=""]
	"201 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	101 -> "201 | [NH]c1ccccc1" [label=""]
	"202 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	101 -> "202 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" [label=""]
	"203 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	102 -> "203 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"204 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	102 -> "204 | O=C1CCC(=O)N1Cl" [label=""]
	"205 | CC(=O)O" [color=lightyellow shape=box style=filled]
	103 -> "205 | CC(=O)O" [label=""]
	"206 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	103 -> "206 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"207 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	104 -> "207 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" [label=""]
	"208 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	105 -> "208 | [Mg+]C1CC1" [label=""]
	"209 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" [color=lightgrey shape=box style=filled]
	105 -> "209 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" [label=""]
	"210 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	106 -> "210 | O=C1CCC(=O)N1Br" [label=""]
	"211 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	106 -> "211 | C1CNCCN1" [label=""]
	"212 | OBr" [color=lightgrey shape=box style=filled]
	107 -> "212 | OBr" [label=""]
	"213 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	107 -> "213 | C1CNCCN1" [label=""]
	"214 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	108 -> "214 | C1CNCCN1" [label=""]
	"215 | ClBr" [color=lightgrey shape=box style=filled]
	108 -> "215 | ClBr" [label=""]
	"216 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	109 -> "216 | BrC(Br)(Br)Br" [label=""]
	"217 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	109 -> "217 | C1CNCCN1" [label=""]
	"218 | O=[N+]1CCNCC1" [color=lightgrey shape=box style=filled]
	110 -> "218 | O=[N+]1CCNCC1" [label=""]
	"219 | BrC(Br)(Br)Br" [color=lightyellow shape=box style=filled]
	110 -> "219 | BrC(Br)(Br)Br" [label=""]
	"220 | CC(=O)N1c2ccc(Cl)nc2C[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	111 -> "220 | CC(=O)N1c2ccc(Cl)nc2C[C@@H](C)[C@@H]1C1CC1" [label=""]
	"221 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	111 -> "221 | O=Nc1ccccc1" [label=""]
	"222 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	112 -> "222 | Nc1ccccc1" [label=""]
	"223 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	112 -> "223 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"224 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	113 -> "224 | Nc1ccccc1" [label=""]
	"225 | CC(=O)N1c2ccc(Cl)nc2C(Cl)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	113 -> "225 | CC(=O)N1c2ccc(Cl)nc2C(Cl)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"226 | C[C@@H]1C(=Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	114 -> "226 | C[C@@H]1C(=Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"227 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	114 -> "227 | CC(=O)Cl" [label=""]
	"228 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	115 -> "228 | Nc1ccccc1" [label=""]
	"229 | CC(=O)N1c2ccc(Cl)nc2C(Br)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	115 -> "229 | CC(=O)N1c2ccc(Cl)nc2C(Br)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"230 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	116 -> "230 | Nc1ccccc1" [label=""]
	"231 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	116 -> "231 | CC(=O)Cl" [label=""]
	"232 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	116 -> "232 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"233 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	117 -> "233 | CC(=O)N1c2cccnc2C(=Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"234 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	117 -> "234 | O=C1CCC(=O)N1Cl" [label=""]
	"235 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	118 -> "235 | CC(=O)Cl" [label=""]
	"236 | C[C@@H](CC1CC1)C(=Nc1ccccc1)c1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	118 -> "236 | C[C@@H](CC1CC1)C(=Nc1ccccc1)c1nc(Cl)ccc1N" [label=""]
	"237 | CC(=O)Nc1ccc(Cl)nc1C(=Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	119 -> "237 | CC(=O)Nc1ccc(Cl)nc1C(=Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [label=""]
	"238 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	120 -> "238 | O=Nc1ccccc1" [label=""]
	"239 | CC(=O)N1c2ccc(Cl)nc2C(Cl)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	120 -> "239 | CC(=O)N1c2ccc(Cl)nc2C(Cl)[C@@H](C)[C@@H]1C1CC1" [label=""]
	121 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 121 [label=0.000]
	122 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 122 [label=0.000]
	123 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 123 [label=0.000]
	124 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 124 [label=0.000]
	125 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 125 [label=0.000]
	126 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 126 [label=0.000]
	127 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 127 [label=0.000]
	128 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 128 [label=0.000]
	129 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 129 [label=0.000]
	130 [color=aquamarine shape=rarrow style=filled]
	"25 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 130 [label=0.000]
	131 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 131 [label=0.000]
	132 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 132 [label=0.000]
	133 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 133 [label=0.000]
	134 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 134 [label=0.000]
	135 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 135 [label=0.000]
	136 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 136 [label=0.000]
	137 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 137 [label=0.000]
	138 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 138 [label=0.000]
	139 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 139 [label=0.000]
	140 [color=aquamarine shape=rarrow style=filled]
	"27 | CC(=O)N1c2ccc(Cl)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 140 [label=0.000]
	141 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 141 [label=0.000]
	142 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 142 [label=0.000]
	143 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 143 [label=0.000]
	144 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 144 [label=0.000]
	145 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 145 [label=0.000]
	146 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 146 [label=0.000]
	147 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 147 [label=0.000]
	148 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 148 [label=0.000]
	149 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 149 [label=0.000]
	150 [color=aquamarine shape=rarrow style=filled]
	"30 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" -> 150 [label=0.000]
	151 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 151 [label=0.000]
	152 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 152 [label=0.000]
	153 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 153 [label=0.000]
	154 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 154 [label=0.000]
	155 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 155 [label=0.000]
	156 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 156 [label=0.000]
	157 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 157 [label=0.000]
	158 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 158 [label=0.000]
	159 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 159 [label=0.000]
	160 [color=aquamarine shape=rarrow style=filled]
	"32 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" -> 160 [label=0.000]
	161 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 161 [label=0.000]
	162 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 162 [label=0.000]
	163 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 163 [label=0.000]
	164 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 164 [label=0.000]
	165 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 165 [label=0.000]
	166 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 166 [label=0.000]
	167 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 167 [label=0.000]
	168 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 168 [label=0.000]
	169 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 169 [label=0.000]
	170 [color=aquamarine shape=rarrow style=filled]
	"33 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 170 [label=0.000]
	171 [color=lightblue shape=rarrow style=filled]
	"34 | [NH]c1ccccc1" -> 171 [label=0.000]
	172 [color=lightblue shape=rarrow style=filled]
	"34 | [NH]c1ccccc1" -> 172 [label=0.000]
	173 [color=lightblue shape=rarrow style=filled]
	"34 | [NH]c1ccccc1" -> 173 [label=0.000]
	174 [color=lightblue shape=rarrow style=filled]
	"34 | [NH]c1ccccc1" -> 174 [label=0.000]
	175 [color=lightblue shape=rarrow style=filled]
	"34 | [NH]c1ccccc1" -> 175 [label=0.000]
	176 [color=lightblue shape=rarrow style=filled]
	"34 | [NH]c1ccccc1" -> 176 [label=0.000]
	177 [color=aquamarine shape=rarrow style=filled]
	"34 | [NH]c1ccccc1" -> 177 [label=0.000]
	178 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 178 [label=0.000]
	179 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 179 [label=0.000]
	180 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 180 [label=0.000]
	181 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 181 [label=0.000]
	182 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 182 [label=0.000]
	183 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 183 [label=0.000]
	184 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 184 [label=0.000]
	185 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 185 [label=0.000]
	186 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 186 [label=0.000]
	187 [color=aquamarine shape=rarrow style=filled]
	"35 | CC(=O)N1c2ccc(Cl)nc2[C][C@@H](C)[C@@H]1C1CC1" -> 187 [label=0.000]
	188 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 188 [label=0.000]
	189 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 189 [label=0.000]
	190 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 190 [label=0.000]
	191 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 191 [label=0.000]
	192 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 192 [label=0.000]
	193 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 193 [label=0.000]
	194 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 194 [label=0.000]
	195 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 195 [label=0.000]
	196 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 196 [label=0.000]
	197 [color=aquamarine shape=rarrow style=filled]
	"36 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 197 [label=0.000]
	198 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 198 [label=0.000]
	199 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 199 [label=0.000]
	200 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 200 [label=0.000]
	201 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 201 [label=0.000]
	202 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 202 [label=0.000]
	203 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 203 [label=0.000]
	204 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 204 [label=0.000]
	205 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 205 [label=0.000]
	206 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 206 [label=0.000]
	207 [color=aquamarine shape=rarrow style=filled]
	"39 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Cl)ccc2N[C@H]1C1CC1" -> 207 [label=0.000]
	208 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 208 [label=0.000]
	209 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 209 [label=0.000]
	210 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 210 [label=0.000]
	211 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 211 [label=0.000]
	212 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 212 [label=0.000]
	213 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 213 [label=0.000]
	214 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 214 [label=0.000]
	215 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 215 [label=0.000]
	216 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 216 [label=0.000]
	217 [color=aquamarine shape=rarrow style=filled]
	"40 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 217 [label=0.000]
	218 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 218 [label=0.000]
	219 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 219 [label=0.000]
	220 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 220 [label=0.000]
	221 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 221 [label=0.000]
	222 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 222 [label=0.000]
	223 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 223 [label=0.000]
	224 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 224 [label=0.000]
	225 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 225 [label=0.000]
	226 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 226 [label=0.000]
	227 [color=aquamarine shape=rarrow style=filled]
	"42 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Cl)ccc21" -> 227 [label=0.000]
	228 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 228 [label=0.000]
	229 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 229 [label=0.000]
	230 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 230 [label=0.000]
	231 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 231 [label=0.000]
	232 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 232 [label=0.000]
	233 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 233 [label=0.000]
	234 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 234 [label=0.000]
	235 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 235 [label=0.000]
	236 [color=aquamarine shape=rarrow style=filled]
	"44 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 236 [label=0.000]
	237 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 237 [label=0.000]
	238 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 238 [label=0.000]
	239 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 239 [label=0.000]
	240 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 240 [label=0.000]
	241 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 241 [label=0.000]
	242 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 242 [label=0.000]
	243 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 243 [label=0.000]
	244 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 244 [label=0.000]
	245 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 245 [label=0.000]
	246 [color=aquamarine shape=rarrow style=filled]
	"46 | CC(=O)N1c2ccc(Br)nc2C(=O)[C@@H](C)[C@@H]1C1CC1" -> 246 [label=0.000]
	247 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 247 [label=0.000]
	248 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 248 [label=0.000]
	249 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 249 [label=0.000]
	250 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 250 [label=0.000]
	251 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 251 [label=0.000]
	252 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 252 [label=0.000]
	253 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 253 [label=0.000]
	254 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 254 [label=0.000]
	255 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 255 [label=0.000]
	256 [color=aquamarine shape=rarrow style=filled]
	"47 | CC(=O)N1c2cccnc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C1CC1" -> 256 [label=0.000]
	257 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 257 [label=0.000]
	258 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 258 [label=0.000]
	259 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 259 [label=0.000]
	260 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 260 [label=0.000]
	261 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 261 [label=0.000]
	262 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 262 [label=0.000]
	263 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 263 [label=0.000]
	264 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 264 [label=0.000]
	265 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 265 [label=0.000]
	266 [color=aquamarine shape=rarrow style=filled]
	"49 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" -> 266 [label=0.000]
	267 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 267 [label=0.000]
	268 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 268 [label=0.000]
	269 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 269 [label=0.000]
	270 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 270 [label=0.000]
	271 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 271 [label=0.000]
	272 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 272 [label=0.000]
	273 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 273 [label=0.000]
	274 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 274 [label=0.000]
	275 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 275 [label=0.000]
	276 [color=aquamarine shape=rarrow style=filled]
	"52 | C[C@@H]1Cc2nc(Br)ccc2N[C@H]1C1CC1" -> 276 [label=0.000]
	277 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 277 [label=0.000]
	278 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 278 [label=0.000]
	279 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 279 [label=0.000]
	280 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 280 [label=0.000]
	281 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 281 [label=0.000]
	282 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 282 [label=0.000]
	283 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 283 [label=0.000]
	284 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 284 [label=0.000]
	285 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 285 [label=0.000]
	286 [color=aquamarine shape=rarrow style=filled]
	"53 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" -> 286 [label=0.000]
	287 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 287 [label=0.000]
	288 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 288 [label=0.000]
	289 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 289 [label=0.000]
	290 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 290 [label=0.000]
	291 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 291 [label=0.000]
	292 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 292 [label=0.000]
	293 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 293 [label=0.000]
	294 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 294 [label=0.000]
	295 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 295 [label=0.000]
	296 [color=aquamarine shape=rarrow style=filled]
	"55 | CC(=O)Nc1ccc(Br)nc1[C@H](Nc1ccccc1)[C@@H](C)[C@@H](O)C1CC1" -> 296 [label=0.000]
	297 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 297 [label=0.000]
	298 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 298 [label=0.000]
	299 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 299 [label=0.000]
	300 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 300 [label=0.000]
	301 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 301 [label=0.000]
	302 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 302 [label=0.000]
	303 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 303 [label=0.000]
	304 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 304 [label=0.000]
	305 [color=aquamarine shape=rarrow style=filled]
	"57 | C[C@@H]1[C@@H](Nc2ccccc2)c2nc(Br)ccc2N[C@H]1C1CC1" -> 305 [label=0.000]
	306 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 306 [label=0.000]
	307 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 307 [label=0.000]
	308 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 308 [label=0.000]
	309 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 309 [label=0.000]
	310 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 310 [label=0.000]
	311 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 311 [label=0.000]
	312 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 312 [label=0.000]
	313 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 313 [label=0.000]
	314 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 314 [label=0.000]
	315 [color=aquamarine shape=rarrow style=filled]
	"58 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 315 [label=0.000]
	316 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 316 [label=0.000]
	317 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 317 [label=0.000]
	318 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 318 [label=0.000]
	319 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 319 [label=0.000]
	320 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 320 [label=0.000]
	321 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 321 [label=0.000]
	322 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 322 [label=0.000]
	323 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 323 [label=0.000]
	324 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 324 [label=0.000]
	325 [color=aquamarine shape=rarrow style=filled]
	"61 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2nc(Br)ccc21" -> 325 [label=0.000]
	326 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 326 [label=0.000]
	327 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 327 [label=0.000]
	328 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 328 [label=0.000]
	329 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 329 [label=0.000]
	330 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 330 [label=0.000]
	331 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 331 [label=0.000]
	332 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 332 [label=0.000]
	333 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 333 [label=0.000]
	334 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 334 [label=0.000]
	335 [color=aquamarine shape=rarrow style=filled]
	"62 | C[C@@H]1C(=O)c2ncccc2N[C@H]1C1CC1" -> 335 [label=0.000]
	336 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 336 [label=0.000]
	337 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 337 [label=0.000]
	338 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 338 [label=0.000]
	339 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 339 [label=0.000]
	340 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 340 [label=0.000]
	341 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 341 [label=0.000]
	342 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 342 [label=0.000]
	343 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 343 [label=0.000]
	344 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 344 [label=0.000]
	345 [color=aquamarine shape=rarrow style=filled]
	"65 | C[C@@H]1[C@@H](O)c2ncccc2N[C@H]1C1CC1" -> 345 [label=0.000]
	346 [color=aquamarine shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 346 [label=0.000]
	347 [color=aquamarine shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 347 [label=0.000]
	348 [color=aquamarine shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 348 [label=0.000]
	349 [color=lightblue shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 349 [label=0.000]
	350 [color=aquamarine shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 350 [label=0.000]
	351 [color=lightblue shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 351 [label=0.000]
	352 [color=aquamarine shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 352 [label=0.000]
	353 [color=aquamarine shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 353 [label=0.000]
	354 [color=aquamarine shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 354 [label=0.000]
	355 [color=aquamarine shape=rarrow style=filled]
	"66 | C[C@@H]1[CH]c2ncccc2N[C@H]1C1CC1" -> 355 [label=0.000]
	356 [color=lightblue shape=rarrow style=filled]
	"67 | [NH]c1ccccc1" -> 356 [label=0.000]
	357 [color=lightblue shape=rarrow style=filled]
	"67 | [NH]c1ccccc1" -> 357 [label=0.000]
	358 [color=lightblue shape=rarrow style=filled]
	"67 | [NH]c1ccccc1" -> 358 [label=0.000]
	359 [color=lightblue shape=rarrow style=filled]
	"67 | [NH]c1ccccc1" -> 359 [label=0.000]
	360 [color=lightblue shape=rarrow style=filled]
	"67 | [NH]c1ccccc1" -> 360 [label=0.000]
	361 [color=lightblue shape=rarrow style=filled]
	"67 | [NH]c1ccccc1" -> 361 [label=0.000]
	362 [color=aquamarine shape=rarrow style=filled]
	"67 | [NH]c1ccccc1" -> 362 [label=0.000]
	"240 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	121 -> "240 | Nc1ccccc1" [label=""]
	"241 | C[C@@H]1C(=O)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	121 -> "241 | C[C@@H]1C(=O)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"242 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	122 -> "242 | Nc1ccccc1" [label=""]
	"243 | C[C@@H]1[C@@H](O)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	122 -> "243 | C[C@@H]1[C@@H](O)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"244 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	123 -> "244 | O=C1CCC(=O)N1Cl" [label=""]
	"245 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	123 -> "245 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"246 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	124 -> "246 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [label=""]
	"247 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	124 -> "247 | [Mg+]C1CC1" [label=""]
	"248 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	125 -> "248 | Nc1ccccc1" [label=""]
	"249 | C[C@@H]1[C@@H](Br)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	125 -> "249 | C[C@@H]1[C@@H](Br)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"250 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	126 -> "250 | Nc1ccccc1" [label=""]
	"251 | C[C@@H]1[C@@H](Cl)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	126 -> "251 | C[C@@H]1[C@@H](Cl)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"252 | BrC1CC1" [color=lightyellow shape=box style=filled]
	127 -> "252 | BrC1CC1" [label=""]
	"253 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	127 -> "253 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [label=""]
	"254 | C[C@H](C(=O)Nc1ccccc1)[C@@H](Nc1ccc(Cl)nc1)C1CC1" [color=lightgrey shape=box style=filled]
	128 -> "254 | C[C@H](C(=O)Nc1ccccc1)[C@@H](Nc1ccc(Cl)nc1)C1CC1" [label=""]
	"255 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	129 -> "255 | [NH]c1ccccc1" [label=""]
	"256 | C[C@@H]1[C]c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	129 -> "256 | C[C@@H]1[C]c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"257 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	130 -> "257 | OB(O)C1CC1" [label=""]
	"258 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	130 -> "258 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [label=""]
	"259 | C[C@@H]1C(=O)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	131 -> "259 | C[C@@H]1C(=O)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"260 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	131 -> "260 | CC(=O)Cl" [label=""]
	"261 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	132 -> "261 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"262 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	132 -> "262 | O=C1CCC(=O)N1Cl" [label=""]
	"263 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=O)c1nc(Cl)ccc1Br" [color=lightgrey shape=box style=filled]
	133 -> "263 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=O)c1nc(Cl)ccc1Br" [label=""]
	"264 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=O)c1nc(Cl)ccc1Cl" [color=lightgrey shape=box style=filled]
	134 -> "264 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=O)c1nc(Cl)ccc1Cl" [label=""]
	"265 | C[C@@H]1C(=O)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	135 -> "265 | C[C@@H]1C(=O)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"266 | CC(=O)O" [color=lightyellow shape=box style=filled]
	135 -> "266 | CC(=O)O" [label=""]
	"267 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	136 -> "267 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)C(=O)C1CC1" [label=""]
	"268 | CC(=O)Nc1ccc(Cl)nc1C(=O)C(C)=CC1CC1" [color=lightgrey shape=box style=filled]
	137 -> "268 | CC(=O)Nc1ccc(Cl)nc1C(=O)C(C)=CC1CC1" [label=""]
	"269 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	138 -> "269 | CC(=O)Cl" [label=""]
	"270 | C[C@@H](CC1CC1)C(=O)c1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	138 -> "270 | C[C@@H](CC1CC1)C(=O)c1nc(Cl)ccc1N" [label=""]
	"271 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	139 -> "271 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)[C@@H](O)C1CC1" [label=""]
	"272 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)CC1CC1" [color=lightgrey shape=box style=filled]
	140 -> "272 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)CC1CC1" [label=""]
	"273 | C[C@H]1CNc2ccc(Cl)nc2C1" [color=lightgrey shape=box style=filled]
	141 -> "273 | C[C@H]1CNc2ccc(Cl)nc2C1" [label=""]
	"274 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	141 -> "274 | [Mg+]C1CC1" [label=""]
	"275 | CC(=O)Cc1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	142 -> "275 | CC(=O)Cc1nc(Cl)ccc1N" [label=""]
	"276 | CC1CC1" [color=lightgrey shape=box style=filled]
	142 -> "276 | CC1CC1" [label=""]
	"277 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	143 -> "277 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [label=""]
	"278 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	143 -> "278 | O=C1CCC(=O)N1Cl" [label=""]
	"279 | C[C@H](Cc1nc(Cl)ccc1N)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	144 -> "279 | C[C@H](Cc1nc(Cl)ccc1N)C(=O)C1CC1" [label=""]
	"280 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	145 -> "280 | OB(O)C1CC1" [label=""]
	"281 | C[C@H]1CNc2ccc(Cl)nc2C1" [color=lightgrey shape=box style=filled]
	145 -> "281 | C[C@H]1CNc2ccc(Cl)nc2C1" [label=""]
	"282 | BrC1CC1" [color=lightyellow shape=box style=filled]
	146 -> "282 | BrC1CC1" [label=""]
	"283 | C[C@H]1CNc2ccc(Cl)nc2C1" [color=lightgrey shape=box style=filled]
	146 -> "283 | C[C@H]1CNc2ccc(Cl)nc2C1" [label=""]
	"284 | [CH]C1CC1" [color=lightgrey shape=box style=filled]
	147 -> "284 | [CH]C1CC1" [label=""]
	"285 | C[CH]Cc1nc(Cl)ccc1[NH]" [color=lightgrey shape=box style=filled]
	147 -> "285 | C[CH]Cc1nc(Cl)ccc1[NH]" [label=""]
	"286 | CC(=O)Cc1nc(Cl)ccc1NCC1CC1" [color=lightgrey shape=box style=filled]
	148 -> "286 | CC(=O)Cc1nc(Cl)ccc1NCC1CC1" [label=""]
	"287 | C[C@H](Cc1nc(Cl)ccc1Br)[C@@H](N)C1CC1" [color=lightgrey shape=box style=filled]
	149 -> "287 | C[C@H](Cc1nc(Cl)ccc1Br)[C@@H](N)C1CC1" [label=""]
	"288 | C[C@@H]([CH]C1CC1)Cc1nc(Cl)ccc1[NH]" [color=lightgrey shape=box style=filled]
	150 -> "288 | C[C@@H]([CH]C1CC1)Cc1nc(Cl)ccc1[NH]" [label=""]
	"289 | Nc1ccc(Cl)nc1Cl" [color=lightyellow shape=box style=filled]
	151 -> "289 | Nc1ccc(Cl)nc1Cl" [label=""]
	"290 | C[C@H](CNc1ccccc1)CC1CC1" [color=lightgrey shape=box style=filled]
	151 -> "290 | C[C@H](CNc1ccccc1)CC1CC1" [label=""]
	"291 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	152 -> "291 | Nc1ccccc1" [label=""]
	"292 | C[C@@H](CC1CC1)C(=O)c1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	152 -> "292 | C[C@@H](CC1CC1)C(=O)c1nc(Cl)ccc1N" [label=""]
	"293 | Nc1ccc(Cl)nc1Cl" [color=lightyellow shape=box style=filled]
	153 -> "293 | Nc1ccc(Cl)nc1Cl" [label=""]
	"294 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	153 -> "294 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [label=""]
	"295 | Nc1ccc(Cl)nc1Br" [color=lightyellow shape=box style=filled]
	154 -> "295 | Nc1ccc(Cl)nc1Br" [label=""]
	"296 | C[C@H](CNc1ccccc1)CC1CC1" [color=lightgrey shape=box style=filled]
	154 -> "296 | C[C@H](CNc1ccccc1)CC1CC1" [label=""]
	"297 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	155 -> "297 | Nc1ccccc1" [label=""]
	"298 | C[C@@H](CC1CC1)[C@H](O)c1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	155 -> "298 | C[C@@H](CC1CC1)[C@H](O)c1nc(Cl)ccc1N" [label=""]
	"299 | Nc1ccc(Cl)nc1" [color=lightyellow shape=box style=filled]
	156 -> "299 | Nc1ccc(Cl)nc1" [label=""]
	"300 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	156 -> "300 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [label=""]
	"301 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1[N+](=O)[O-]" [color=lightgrey shape=box style=filled]
	157 -> "301 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1[N+](=O)[O-]" [label=""]
	"302 | C[C@H](C=Nc1ccccc1)CC1CC1" [color=lightgrey shape=box style=filled]
	158 -> "302 | C[C@H](C=Nc1ccccc1)CC1CC1" [label=""]
	"303 | Nc1ccc(Cl)nc1" [color=lightyellow shape=box style=filled]
	158 -> "303 | Nc1ccc(Cl)nc1" [label=""]
	"304 | C[C@H](C=Nc1ccccc1)CC1CC1" [color=lightgrey shape=box style=filled]
	159 -> "304 | C[C@H](C=Nc1ccccc1)CC1CC1" [label=""]
	"305 | Nc1ccc(Cl)nc1Cl" [color=lightyellow shape=box style=filled]
	159 -> "305 | Nc1ccc(Cl)nc1Cl" [label=""]
	"306 | CC(=CNc1ccccc1)CC1CC1" [color=lightgrey shape=box style=filled]
	160 -> "306 | CC(=CNc1ccccc1)CC1CC1" [label=""]
	"307 | Nc1ccc(Cl)nc1Cl" [color=lightyellow shape=box style=filled]
	160 -> "307 | Nc1ccc(Cl)nc1Cl" [label=""]
	"308 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	161 -> "308 | CC(=O)Cl" [label=""]
	"309 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	161 -> "309 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [label=""]
	"310 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	162 -> "310 | Nc1ccccc1" [label=""]
	"311 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	162 -> "311 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)C(=O)C1CC1" [label=""]
	"312 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	163 -> "312 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [label=""]
	"313 | CC(=O)Nc1ccc(Cl)nc1Cl" [color=lightyellow shape=box style=filled]
	163 -> "313 | CC(=O)Nc1ccc(Cl)nc1Cl" [label=""]
	"314 | CC(N)=O" [color=lightyellow shape=box style=filled]
	164 -> "314 | CC(N)=O" [label=""]
	"315 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1Br" [color=lightgrey shape=box style=filled]
	164 -> "315 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1Br" [label=""]
	"316 | CC(=O)O" [color=lightyellow shape=box style=filled]
	165 -> "316 | CC(=O)O" [label=""]
	"317 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	165 -> "317 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [label=""]
	"318 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	166 -> "318 | Nc1ccccc1" [label=""]
	"319 | C[C@H](Cc1nc(Cl)ccc1N)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	166 -> "319 | C[C@H](Cc1nc(Cl)ccc1N)C(=O)C1CC1" [label=""]
	"320 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	166 -> "320 | CC(=O)Cl" [label=""]
	"321 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	167 -> "321 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [label=""]
	"322 | CC(=O)Nc1ccc(Cl)nc1Br" [color=lightyellow shape=box style=filled]
	167 -> "322 | CC(=O)Nc1ccc(Cl)nc1Br" [label=""]
	"323 | C[C@H](C(=O)Nc1ccccc1)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	168 -> "323 | C[C@H](C(=O)Nc1ccccc1)C(=O)C1CC1" [label=""]
	"324 | CC(=O)Nc1ccc(Cl)nc1" [color=lightyellow shape=box style=filled]
	168 -> "324 | CC(=O)Nc1ccc(Cl)nc1" [label=""]
	"325 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	169 -> "325 | O=Nc1ccccc1" [label=""]
	"326 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	169 -> "326 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)C(=O)C1CC1" [label=""]
	"327 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	170 -> "327 | O=Nc1ccccc1" [label=""]
	"328 | CC(=O)Nc1ccc(Cl)nc1C[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	170 -> "328 | CC(=O)Nc1ccc(Cl)nc1C[C@@H](C)C(=O)C1CC1" [label=""]
	"329 | CNc1ccccc1" [color=lightyellow shape=box style=filled]
	171 -> "329 | CNc1ccccc1" [label=""]
	"330 | CC(C)(C)OC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	172 -> "330 | CC(C)(C)OC(=O)Nc1ccccc1" [label=""]
	"331 | CC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	173 -> "331 | CC(=O)Nc1ccccc1" [label=""]
	"332 | c1ccc(CNc2ccccc2)cc1" [color=lightyellow shape=box style=filled]
	174 -> "332 | c1ccc(CNc2ccccc2)cc1" [label=""]
	"333 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	175 -> "333 | O=Nc1ccccc1" [label=""]
	"334 | CC(C)(C)OC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	176 -> "334 | CC(C)(C)OC(=O)Nc1ccccc1" [label=""]
	"335 | O=[N+](Cl)c1ccccc1" [color=lightgrey shape=box style=filled]
	177 -> "335 | O=[N+](Cl)c1ccccc1" [label=""]
	"336 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	178 -> "336 | CC(=O)Cl" [label=""]
	"337 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	178 -> "337 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"338 | C[C@H](Cc1nc(Cl)ccc1N)CC1CC1" [color=lightgrey shape=box style=filled]
	179 -> "338 | C[C@H](Cc1nc(Cl)ccc1N)CC1CC1" [label=""]
	"339 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	179 -> "339 | CC(=O)Cl" [label=""]
	"340 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	180 -> "340 | [Mg+]C1CC1" [label=""]
	"341 | CC(=O)N1C[C@H](C)Cc2nc(Cl)ccc21" [color=lightgrey shape=box style=filled]
	180 -> "341 | CC(=O)N1C[C@H](C)Cc2nc(Cl)ccc21" [label=""]
	"342 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	181 -> "342 | O=C1CCC(=O)N1Cl" [label=""]
	"343 | CC(=O)N1c2cccnc2C[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	181 -> "343 | CC(=O)N1c2cccnc2C[C@@H](C)[C@@H]1C1CC1" [label=""]
	"344 | CC(=O)O" [color=lightyellow shape=box style=filled]
	182 -> "344 | CC(=O)O" [label=""]
	"345 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	182 -> "345 | C[C@@H]1Cc2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"346 | BrC1CC1" [color=lightyellow shape=box style=filled]
	183 -> "346 | BrC1CC1" [label=""]
	"347 | CC(=O)N1C[C@H](C)Cc2nc(Cl)ccc21" [color=lightgrey shape=box style=filled]
	183 -> "347 | CC(=O)N1C[C@H](C)Cc2nc(Cl)ccc21" [label=""]
	"348 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	184 -> "348 | CC(=O)Cl" [label=""]
	"349 | CC[C@@H](Nc1ccc(Cl)nc1C)C1CC1" [color=lightgrey shape=box style=filled]
	184 -> "349 | CC[C@@H](Nc1ccc(Cl)nc1C)C1CC1" [label=""]
	"350 | CC(=O)Nc1ccc(Cl)nc1C[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	185 -> "350 | CC(=O)Nc1ccc(Cl)nc1C[C@@H](C)C(=O)C1CC1" [label=""]
	"351 | CC(=O)N(c1ccc(Cl)nc1C)[C@@H](C1CC1)[C@@H](C)O" [color=lightgrey shape=box style=filled]
	186 -> "351 | CC(=O)N(c1ccc(Cl)nc1C)[C@@H](C1CC1)[C@@H](C)O" [label=""]
	"352 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	187 -> "352 | OB(O)C1CC1" [label=""]
	"353 | CC(=O)N1C[C@H](C)Cc2nc(Cl)ccc21" [color=lightgrey shape=box style=filled]
	187 -> "353 | CC(=O)N1C[C@H](C)Cc2nc(Cl)ccc21" [label=""]
	"354 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	188 -> "354 | CC(=O)Cl" [label=""]
	"355 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	188 -> "355 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"356 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	189 -> "356 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [label=""]
	"357 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	189 -> "357 | CC(=O)Cl" [label=""]
	"358 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	189 -> "358 | Nc1ccccc1" [label=""]
	"359 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	190 -> "359 | Nc1ccccc1" [label=""]
	"360 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	190 -> "360 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"361 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	191 -> "361 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"362 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	191 -> "362 | [Mg+]C1CC1" [label=""]
	"363 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [color=lightgrey shape=box style=filled]
	192 -> "363 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [label=""]
	"364 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	192 -> "364 | CC(=O)Cl" [label=""]
	"365 | CC(=O)N1c2cccnc2[C][C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	193 -> "365 | CC(=O)N1c2cccnc2[C][C@@H](C)[C@@H]1C1CC1" [label=""]
	"366 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	193 -> "366 | [NH]c1ccccc1" [label=""]
	"367 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	194 -> "367 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"368 | BrC1CC1" [color=lightyellow shape=box style=filled]
	194 -> "368 | BrC1CC1" [label=""]
	"369 | CC(=O)Nc1cccnc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	195 -> "369 | CC(=O)Nc1cccnc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [label=""]
	"370 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	196 -> "370 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"371 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	196 -> "371 | OB(O)C1CC1" [label=""]
	"372 | CC(=O)O" [color=lightyellow shape=box style=filled]
	197 -> "372 | CC(=O)O" [label=""]
	"373 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	197 -> "373 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"374 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	198 -> "374 | Nc1ccccc1" [label=""]
	"375 | C[C@@H]1C(=O)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	198 -> "375 | C[C@@H]1C(=O)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"376 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	199 -> "376 | Nc1ccccc1" [label=""]
	"377 | C[C@@H]1[C@@H](O)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	199 -> "377 | C[C@@H]1[C@@H](O)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"378 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	200 -> "378 | O=C1CCC(=O)N1Cl" [label=""]
	"379 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	200 -> "379 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"380 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	201 -> "380 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [label=""]
	"381 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	201 -> "381 | [Mg+]C1CC1" [label=""]
	"382 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	202 -> "382 | Nc1ccccc1" [label=""]
	"383 | C[C@@H]1[C@@H](Br)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	202 -> "383 | C[C@@H]1[C@@H](Br)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"384 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	203 -> "384 | Nc1ccccc1" [label=""]
	"385 | C[C@@H]1[C@@H](Cl)c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	203 -> "385 | C[C@@H]1[C@@H](Cl)c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"386 | BrC1CC1" [color=lightyellow shape=box style=filled]
	204 -> "386 | BrC1CC1" [label=""]
	"387 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	204 -> "387 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [label=""]
	"388 | C[C@H](C(=O)Nc1ccccc1)[C@@H](Nc1ccc(Cl)nc1)C1CC1" [color=lightgrey shape=box style=filled]
	205 -> "388 | C[C@H](C(=O)Nc1ccccc1)[C@@H](Nc1ccc(Cl)nc1)C1CC1" [label=""]
	"389 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	206 -> "389 | [NH]c1ccccc1" [label=""]
	"390 | C[C@@H]1[C]c2nc(Cl)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	206 -> "390 | C[C@@H]1[C]c2nc(Cl)ccc2N[C@H]1C1CC1" [label=""]
	"391 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	207 -> "391 | OB(O)C1CC1" [label=""]
	"392 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	207 -> "392 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [label=""]
	"393 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	208 -> "393 | CC(=O)Cl" [label=""]
	"394 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Cl)ccc1N)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	208 -> "394 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Cl)ccc1N)[C@@H](O)C1CC1" [label=""]
	"395 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	209 -> "395 | CC(=O)Nc1ccc(Cl)nc1C(=O)[C@@H](C)[C@@H](O)C1CC1" [label=""]
	"396 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	209 -> "396 | Nc1ccccc1" [label=""]
	"397 | C[C@H](C(=O)Nc1ccccc1)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	210 -> "397 | C[C@H](C(=O)Nc1ccccc1)[C@@H](O)C1CC1" [label=""]
	"398 | CC(=O)Nc1ccc(Cl)nc1" [color=lightyellow shape=box style=filled]
	210 -> "398 | CC(=O)Nc1ccc(Cl)nc1" [label=""]
	"399 | C[C@H](CNc1ccccc1)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	211 -> "399 | C[C@H](CNc1ccccc1)[C@@H](O)C1CC1" [label=""]
	"400 | CC(=O)Nc1ccc(Cl)nc1Cl" [color=lightyellow shape=box style=filled]
	211 -> "400 | CC(=O)Nc1ccc(Cl)nc1Cl" [label=""]
	"401 | C[C@H](Cc1nc(Cl)ccc1N)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	212 -> "401 | C[C@H](Cc1nc(Cl)ccc1N)[C@@H](O)C1CC1" [label=""]
	"402 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	212 -> "402 | CC(=O)Cl" [label=""]
	"403 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	212 -> "403 | Nc1ccccc1" [label=""]
	"404 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Cl)ccc1Br)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	213 -> "404 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Cl)ccc1Br)[C@@H](O)C1CC1" [label=""]
	"405 | CC(N)=O" [color=lightyellow shape=box style=filled]
	213 -> "405 | CC(N)=O" [label=""]
	"406 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	214 -> "406 | Nc1ccccc1" [label=""]
	"407 | CC(=O)Nc1ccc(Cl)nc1[C@@H](O)[C@@H](C)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	214 -> "407 | CC(=O)Nc1ccc(Cl)nc1[C@@H](O)[C@@H](C)[C@@H](O)C1CC1" [label=""]
	"408 | CC(=O)Nc1ccc(Cl)nc1C(=O)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	215 -> "408 | CC(=O)Nc1ccc(Cl)nc1C(=O)Nc1ccccc1" [label=""]
	"409 | CC[C@@H](O)C1CC1" [color=lightyellow shape=box style=filled]
	215 -> "409 | CC[C@@H](O)C1CC1" [label=""]
	"410 | CC(=O)O" [color=lightyellow shape=box style=filled]
	216 -> "410 | CC(=O)O" [label=""]
	"411 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Cl)ccc1N)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	216 -> "411 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Cl)ccc1N)[C@@H](O)C1CC1" [label=""]
	"412 | C[C@H](C=Nc1ccccc1)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	217 -> "412 | C[C@H](C=Nc1ccccc1)[C@@H](O)C1CC1" [label=""]
	"413 | CC(=O)Nc1ccc(Cl)nc1" [color=lightyellow shape=box style=filled]
	217 -> "413 | CC(=O)Nc1ccc(Cl)nc1" [label=""]
	"414 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	218 -> "414 | CC(=O)Cl" [label=""]
	"415 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	218 -> "415 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [label=""]
	"416 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	219 -> "416 | Nc1ccccc1" [label=""]
	"417 | CC(=O)N1C[C@H](C)C(=O)c2nc(Cl)ccc21" [color=lightgrey shape=box style=filled]
	219 -> "417 | CC(=O)N1C[C@H](C)C(=O)c2nc(Cl)ccc21" [label=""]
	"418 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	220 -> "418 | Nc1ccccc1" [label=""]
	"419 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Cl)ccc21" [color=lightgrey shape=box style=filled]
	220 -> "419 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Cl)ccc21" [label=""]
	"420 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	221 -> "420 | Nc1ccccc1" [label=""]
	"421 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	221 -> "421 | CC(=O)Cl" [label=""]
	"422 | C[C@H]1CNc2ccc(Cl)nc2C1" [color=lightgrey shape=box style=filled]
	221 -> "422 | C[C@H]1CNc2ccc(Cl)nc2C1" [label=""]
	"423 | CC(=O)O" [color=lightyellow shape=box style=filled]
	222 -> "423 | CC(=O)O" [label=""]
	"424 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	222 -> "424 | C[C@H]1CNc2ccc(Cl)nc2[C@@H]1Nc1ccccc1" [label=""]
	"425 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)CO" [color=lightgrey shape=box style=filled]
	223 -> "425 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)CO" [label=""]
	"426 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	224 -> "426 | O=Nc1ccccc1" [label=""]
	"427 | CC(=O)N1C[C@H](C)C(=O)c2nc(Cl)ccc21" [color=lightgrey shape=box style=filled]
	224 -> "427 | CC(=O)N1C[C@H](C)C(=O)c2nc(Cl)ccc21" [label=""]
	"428 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	225 -> "428 | [NH]c1ccccc1" [label=""]
	"429 | [CH]c1nc(Cl)ccc1N(C[CH]C)C(C)=O" [color=lightgrey shape=box style=filled]
	225 -> "429 | [CH]c1nc(Cl)ccc1N(C[CH]C)C(C)=O" [label=""]
	"430 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	226 -> "430 | CC(=O)Cl" [label=""]
	"431 | CC(C)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [color=lightgrey shape=box style=filled]
	226 -> "431 | CC(C)[C@@H](Nc1ccccc1)c1nc(Cl)ccc1N" [label=""]
	"432 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)CI" [color=lightgrey shape=box style=filled]
	227 -> "432 | CC(=O)Nc1ccc(Cl)nc1[C@H](Nc1ccccc1)[C@@H](C)CI" [label=""]
	"433 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	228 -> "433 | Nc1ccccc1" [label=""]
	"434 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	228 -> "434 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"435 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	229 -> "435 | O=C1CCC(=O)N1Br" [label=""]
	"436 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	229 -> "436 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"437 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	230 -> "437 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [label=""]
	"438 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	230 -> "438 | [Mg+]C1CC1" [label=""]
	"439 | C[C@@H]1[C@@H](N)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	231 -> "439 | C[C@@H]1[C@@H](N)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"440 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	231 -> "440 | Ic1ccccc1" [label=""]
	"441 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [color=lightgrey shape=box style=filled]
	232 -> "441 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [label=""]
	"442 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	233 -> "442 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [label=""]
	"443 | BrC1CC1" [color=lightyellow shape=box style=filled]
	233 -> "443 | BrC1CC1" [label=""]
	"444 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	234 -> "444 | Nc1ccccc1" [label=""]
	"445 | C[C@@H]1[C@@H](O)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	234 -> "445 | C[C@@H]1[C@@H](O)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"446 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	235 -> "446 | Nc1ccccc1" [label=""]
	"447 | C[C@@H]1Cc2nc(Br)cc(Br)c2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	235 -> "447 | C[C@@H]1Cc2nc(Br)cc(Br)c2N[C@H]1C1CC1" [label=""]
	"448 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	236 -> "448 | O=Nc1ccccc1" [label=""]
	"449 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	236 -> "449 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"450 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	237 -> "450 | CC(=O)Cl" [label=""]
	"451 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	237 -> "451 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"452 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	238 -> "452 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"453 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	238 -> "453 | O=C1CCC(=O)N1Br" [label=""]
	"454 | CC(=O)O" [color=lightyellow shape=box style=filled]
	239 -> "454 | CC(=O)O" [label=""]
	"455 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	239 -> "455 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"456 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=O)c1nc(Br)ccc1Br" [color=lightgrey shape=box style=filled]
	240 -> "456 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=O)c1nc(Br)ccc1Br" [label=""]
	"457 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=O)c1nc(Br)ccc1Cl" [color=lightgrey shape=box style=filled]
	241 -> "457 | CC(=O)N[C@@H](C1CC1)[C@H](C)C(=O)c1nc(Br)ccc1Cl" [label=""]
	"458 | CC(=O)Nc1ccc(Br)nc1C(=O)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	242 -> "458 | CC(=O)Nc1ccc(Br)nc1C(=O)[C@@H](C)C(=O)C1CC1" [label=""]
	"459 | CC(=O)N1C[C@H](C)C(=O)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	243 -> "459 | CC(=O)N1C[C@H](C)C(=O)c2nc(Br)ccc21" [label=""]
	"460 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	243 -> "460 | [Mg+]C1CC1" [label=""]
	"461 | CC(=O)N1C[C@H](C)C(=O)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	244 -> "461 | CC(=O)N1C[C@H](C)C(=O)c2nc(Br)ccc21" [label=""]
	"462 | BrC1CC1" [color=lightyellow shape=box style=filled]
	244 -> "462 | BrC1CC1" [label=""]
	"463 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	245 -> "463 | CC(=O)Cl" [label=""]
	"464 | C[C@@H](CC1CC1)C(=O)c1nc(Br)ccc1N" [color=lightgrey shape=box style=filled]
	245 -> "464 | C[C@@H](CC1CC1)C(=O)c1nc(Br)ccc1N" [label=""]
	"465 | CC(=O)Nc1ccc(Br)nc1C(=O)C(C)=CC1CC1" [color=lightgrey shape=box style=filled]
	246 -> "465 | CC(=O)Nc1ccc(Br)nc1C(=O)C(C)=CC1CC1" [label=""]
	"466 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	247 -> "466 | CC(=O)Cl" [label=""]
	"467 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	247 -> "467 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"468 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	248 -> "468 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [label=""]
	"469 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	248 -> "469 | CC(=O)Cl" [label=""]
	"470 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	248 -> "470 | Nc1ccccc1" [label=""]
	"471 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	249 -> "471 | Nc1ccccc1" [label=""]
	"472 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	249 -> "472 | CC(=O)N1c2cccnc2C(=O)[C@@H](C)[C@@H]1C1CC1" [label=""]
	"473 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	250 -> "473 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"474 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	250 -> "474 | [Mg+]C1CC1" [label=""]
	"475 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [color=lightgrey shape=box style=filled]
	251 -> "475 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1ncccc1N" [label=""]
	"476 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	251 -> "476 | CC(=O)Cl" [label=""]
	"477 | CC(=O)N1c2cccnc2[C][C@@H](C)[C@@H]1C1CC1" [color=lightgrey shape=box style=filled]
	252 -> "477 | CC(=O)N1c2cccnc2[C][C@@H](C)[C@@H]1C1CC1" [label=""]
	"478 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	252 -> "478 | [NH]c1ccccc1" [label=""]
	"479 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	253 -> "479 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"480 | BrC1CC1" [color=lightyellow shape=box style=filled]
	253 -> "480 | BrC1CC1" [label=""]
	"481 | CC(=O)Nc1cccnc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	254 -> "481 | CC(=O)Nc1cccnc1[C@H](Nc1ccccc1)[C@@H](C)C(=O)C1CC1" [label=""]
	"482 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	255 -> "482 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"483 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	255 -> "483 | OB(O)C1CC1" [label=""]
	"484 | CC(=O)O" [color=lightyellow shape=box style=filled]
	256 -> "484 | CC(=O)O" [label=""]
	"485 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	256 -> "485 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"486 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [color=lightgrey shape=box style=filled]
	257 -> "486 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [label=""]
	"487 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	257 -> "487 | CC(=O)Cl" [label=""]
	"488 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	258 -> "488 | Nc1ccccc1" [label=""]
	"489 | CC(=O)Nc1ccc(Br)nc1C(=O)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	258 -> "489 | CC(=O)Nc1ccc(Br)nc1C(=O)[C@@H](C)C(=O)C1CC1" [label=""]
	"490 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	259 -> "490 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [label=""]
	"491 | CC(=O)Nc1ccc(Br)nc1Br" [color=lightyellow shape=box style=filled]
	259 -> "491 | CC(=O)Nc1ccc(Br)nc1Br" [label=""]
	"492 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [color=lightgrey shape=box style=filled]
	260 -> "492 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [label=""]
	"493 | CC(=O)O" [color=lightyellow shape=box style=filled]
	260 -> "493 | CC(=O)O" [label=""]
	"494 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	261 -> "494 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [label=""]
	"495 | CC(=O)Nc1ccc(Br)nc1Cl" [color=lightgrey shape=box style=filled]
	261 -> "495 | CC(=O)Nc1ccc(Br)nc1Cl" [label=""]
	"496 | C[C@H](C(=O)Nc1ccccc1)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	262 -> "496 | C[C@H](C(=O)Nc1ccccc1)C(=O)C1CC1" [label=""]
	"497 | CC(=O)Nc1ccc(Br)nc1" [color=lightyellow shape=box style=filled]
	262 -> "497 | CC(=O)Nc1ccc(Br)nc1" [label=""]
	"498 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	263 -> "498 | Nc1ccccc1" [label=""]
	"499 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	263 -> "499 | CC(=O)Cl" [label=""]
	"500 | C[C@H](Cc1nc(Br)ccc1N)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	263 -> "500 | C[C@H](Cc1nc(Br)ccc1N)C(=O)C1CC1" [label=""]
	"501 | C[C@@H](C(=O)C1CC1)[C@H](O)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	264 -> "501 | C[C@@H](C(=O)C1CC1)[C@H](O)Nc1ccccc1" [label=""]
	"502 | CC(=O)Nc1ccc(Br)nc1" [color=lightyellow shape=box style=filled]
	264 -> "502 | CC(=O)Nc1ccc(Br)nc1" [label=""]
	"503 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	265 -> "503 | O=Nc1ccccc1" [label=""]
	"504 | CC(=O)Nc1ccc(Br)nc1C(=O)[C@@H](C)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	265 -> "504 | CC(=O)Nc1ccc(Br)nc1C(=O)[C@@H](C)C(=O)C1CC1" [label=""]
	"505 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	266 -> "505 | CC(=O)Cl" [label=""]
	"506 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	266 -> "506 | C[C@H](CNc1ccccc1)C(=O)C1CC1" [label=""]
	"507 | Nc1ccc(Br)nc1" [color=lightyellow shape=box style=filled]
	266 -> "507 | Nc1ccc(Br)nc1" [label=""]
	"508 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	267 -> "508 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [label=""]
	"509 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	267 -> "509 | O=C1CCC(=O)N1Br" [label=""]
	"510 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	268 -> "510 | [Mg+]C1CC1" [label=""]
	"511 | C[C@H]1CNc2ccc(Br)nc2C1" [color=lightgrey shape=box style=filled]
	268 -> "511 | C[C@H]1CNc2ccc(Br)nc2C1" [label=""]
	"512 | CC(=O)Cc1nc(Br)ccc1N" [color=lightgrey shape=box style=filled]
	269 -> "512 | CC(=O)Cc1nc(Br)ccc1N" [label=""]
	"513 | CC1CC1" [color=lightgrey shape=box style=filled]
	269 -> "513 | CC1CC1" [label=""]
	"514 | C[C@H](Cc1nc(Br)ccc1N)C(=O)C1CC1" [color=lightgrey shape=box style=filled]
	270 -> "514 | C[C@H](Cc1nc(Br)ccc1N)C(=O)C1CC1" [label=""]
	"515 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	271 -> "515 | OB(O)C1CC1" [label=""]
	"516 | C[C@H]1CNc2ccc(Br)nc2C1" [color=lightgrey shape=box style=filled]
	271 -> "516 | C[C@H]1CNc2ccc(Br)nc2C1" [label=""]
	"517 | C[CH]Cc1nc(Br)ccc1[NH]" [color=lightgrey shape=box style=filled]
	272 -> "517 | C[CH]Cc1nc(Br)ccc1[NH]" [label=""]
	"518 | [CH]C1CC1" [color=lightgrey shape=box style=filled]
	272 -> "518 | [CH]C1CC1" [label=""]
	"519 | BrC1CC1" [color=lightyellow shape=box style=filled]
	273 -> "519 | BrC1CC1" [label=""]
	"520 | C[C@H]1CNc2ccc(Br)nc2C1" [color=lightgrey shape=box style=filled]
	273 -> "520 | C[C@H]1CNc2ccc(Br)nc2C1" [label=""]
	"521 | C[C@H](Cc1nc(Br)ccc1Br)[C@@H](N)C1CC1" [color=lightgrey shape=box style=filled]
	274 -> "521 | C[C@H](Cc1nc(Br)ccc1Br)[C@@H](N)C1CC1" [label=""]
	"522 | IC1CC1" [color=lightyellow shape=box style=filled]
	275 -> "522 | IC1CC1" [label=""]
	"523 | C[C@H]1CNc2ccc(Br)nc2C1" [color=lightgrey shape=box style=filled]
	275 -> "523 | C[C@H]1CNc2ccc(Br)nc2C1" [label=""]
	"524 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	276 -> "524 | [Mg+]C1CC1" [label=""]
	"525 | C[C@@H]1Cc2nc(Br)ccc2NC1=O" [color=lightgrey shape=box style=filled]
	276 -> "525 | C[C@@H]1Cc2nc(Br)ccc2NC1=O" [label=""]
	"526 | Nc1ccc(Br)nc1Cl" [color=lightyellow shape=box style=filled]
	277 -> "526 | Nc1ccc(Br)nc1Cl" [label=""]
	"527 | C[C@H](CNc1ccccc1)CC1CC1" [color=lightgrey shape=box style=filled]
	277 -> "527 | C[C@H](CNc1ccccc1)CC1CC1" [label=""]
	"528 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	278 -> "528 | Nc1ccccc1" [label=""]
	"529 | C[C@@H](CC1CC1)C(=O)c1nc(Br)ccc1N" [color=lightgrey shape=box style=filled]
	278 -> "529 | C[C@@H](CC1CC1)C(=O)c1nc(Br)ccc1N" [label=""]
	"530 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	279 -> "530 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [label=""]
	"531 | Nc1ccc(Br)nc1" [color=lightyellow shape=box style=filled]
	279 -> "531 | Nc1ccc(Br)nc1" [label=""]
	"532 | Nc1ccc(Br)nc1Br" [color=lightyellow shape=box style=filled]
	280 -> "532 | Nc1ccc(Br)nc1Br" [label=""]
	"533 | C[C@H](CNc1ccccc1)CC1CC1" [color=lightgrey shape=box style=filled]
	280 -> "533 | C[C@H](CNc1ccccc1)CC1CC1" [label=""]
	"534 | Nc1ccc(Br)nc1Cl" [color=lightyellow shape=box style=filled]
	281 -> "534 | Nc1ccc(Br)nc1Cl" [label=""]
	"535 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	281 -> "535 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [label=""]
	"536 | C[C@H](C=Nc1ccccc1)CC1CC1" [color=lightgrey shape=box style=filled]
	282 -> "536 | C[C@H](C=Nc1ccccc1)CC1CC1" [label=""]
	"537 | Nc1ccc(Br)nc1" [color=lightyellow shape=box style=filled]
	282 -> "537 | Nc1ccc(Br)nc1" [label=""]
	"538 | [CH][C@@H](C)CC1CC1" [color=lightgrey shape=box style=filled]
	283 -> "538 | [CH][C@@H](C)CC1CC1" [label=""]
	"539 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	283 -> "539 | [NH]c1ccccc1" [label=""]
	"540 | Nc1[c]nc(Br)cc1" [color=lightgrey shape=box style=filled]
	283 -> "540 | Nc1[c]nc(Br)cc1" [label=""]
	"541 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	284 -> "541 | Nc1ccccc1" [label=""]
	"542 | C[C@H](C=O)CC1CC1" [color=lightgrey shape=box style=filled]
	284 -> "542 | C[C@H](C=O)CC1CC1" [label=""]
	"543 | Nc1ccc(Br)nc1" [color=lightyellow shape=box style=filled]
	284 -> "543 | Nc1ccc(Br)nc1" [label=""]
	"544 | Nc1ccc(Br)nc1Br" [color=lightyellow shape=box style=filled]
	285 -> "544 | Nc1ccc(Br)nc1Br" [label=""]
	"545 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	285 -> "545 | C[C@@H](CC1CC1)C(=O)Nc1ccccc1" [label=""]
	"546 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1[N+](=O)[O-]" [color=lightgrey shape=box style=filled]
	286 -> "546 | C[C@@H](CC1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1[N+](=O)[O-]" [label=""]
	"547 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	287 -> "547 | CC(=O)Cl" [label=""]
	"548 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Br)ccc1N)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	287 -> "548 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Br)ccc1N)[C@@H](O)C1CC1" [label=""]
	"549 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	288 -> "549 | Nc1ccccc1" [label=""]
	"550 | CC(=O)Nc1ccc(Br)nc1C(=O)[C@@H](C)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	288 -> "550 | CC(=O)Nc1ccc(Br)nc1C(=O)[C@@H](C)[C@@H](O)C1CC1" [label=""]
	"551 | C[C@H](C(=O)Nc1ccccc1)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	289 -> "551 | C[C@H](C(=O)Nc1ccccc1)[C@@H](O)C1CC1" [label=""]
	"552 | CC(=O)Nc1ccc(Br)nc1" [color=lightyellow shape=box style=filled]
	289 -> "552 | CC(=O)Nc1ccc(Br)nc1" [label=""]
	"553 | C[C@H](CNc1ccccc1)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	290 -> "553 | C[C@H](CNc1ccccc1)[C@@H](O)C1CC1" [label=""]
	"554 | CC(=O)Nc1ccc(Br)nc1Cl" [color=lightgrey shape=box style=filled]
	290 -> "554 | CC(=O)Nc1ccc(Br)nc1Cl" [label=""]
	"555 | CC(=O)Nc1ccc(Br)nc1[C@@H](O)[C@@H](C)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	291 -> "555 | CC(=O)Nc1ccc(Br)nc1[C@@H](O)[C@@H](C)[C@@H](O)C1CC1" [label=""]
	"556 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	291 -> "556 | Nc1ccccc1" [label=""]
	"557 | C[C@H](CNc1ccccc1)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	292 -> "557 | C[C@H](CNc1ccccc1)[C@@H](O)C1CC1" [label=""]
	"558 | CC(=O)Nc1ccc(Br)nc1Br" [color=lightyellow shape=box style=filled]
	292 -> "558 | CC(=O)Nc1ccc(Br)nc1Br" [label=""]
	"559 | CC(=O)O" [color=lightyellow shape=box style=filled]
	293 -> "559 | CC(=O)O" [label=""]
	"560 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Br)ccc1N)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	293 -> "560 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Br)ccc1N)[C@@H](O)C1CC1" [label=""]
	"561 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Br)ccc1Br)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	294 -> "561 | C[C@H]([C@@H](Nc1ccccc1)c1nc(Br)ccc1Br)[C@@H](O)C1CC1" [label=""]
	"562 | CC(N)=O" [color=lightyellow shape=box style=filled]
	294 -> "562 | CC(N)=O" [label=""]
	"563 | CC[C@@H](O)C1CC1" [color=lightyellow shape=box style=filled]
	295 -> "563 | CC[C@@H](O)C1CC1" [label=""]
	"564 | CC(=O)Nc1ccc(Br)nc1C(=O)Nc1ccccc1" [color=lightgrey shape=box style=filled]
	295 -> "564 | CC(=O)Nc1ccc(Br)nc1C(=O)Nc1ccccc1" [label=""]
	"565 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	296 -> "565 | Nc1ccccc1" [label=""]
	"566 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	296 -> "566 | CC(=O)Cl" [label=""]
	"567 | C[C@H](Cc1nc(Br)ccc1N)[C@@H](O)C1CC1" [color=lightgrey shape=box style=filled]
	296 -> "567 | C[C@H](Cc1nc(Br)ccc1N)[C@@H](O)C1CC1" [label=""]
	"568 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	297 -> "568 | Nc1ccccc1" [label=""]
	"569 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	297 -> "569 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"570 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	298 -> "570 | O=C1CCC(=O)N1Br" [label=""]
	"571 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	298 -> "571 | C[C@@H]1[C@@H](Nc2ccccc2)c2ncccc2N[C@H]1C1CC1" [label=""]
	"572 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	299 -> "572 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [label=""]
	"573 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	299 -> "573 | [Mg+]C1CC1" [label=""]
	"574 | C[C@@H]1[C@@H](N)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	300 -> "574 | C[C@@H]1[C@@H](N)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"575 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	300 -> "575 | Ic1ccccc1" [label=""]
	"576 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [color=lightgrey shape=box style=filled]
	301 -> "576 | C[C@@H](C(=O)C1CC1)[C@@H](Nc1ccccc1)c1nc(Br)ccc1N" [label=""]
	"577 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	302 -> "577 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [label=""]
	"578 | BrC1CC1" [color=lightyellow shape=box style=filled]
	302 -> "578 | BrC1CC1" [label=""]
	"579 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	303 -> "579 | Nc1ccccc1" [label=""]
	"580 | C[C@@H]1[C@@H](O)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	303 -> "580 | C[C@@H]1[C@@H](O)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"581 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	304 -> "581 | Nc1ccccc1" [label=""]
	"582 | C[C@@H]1Cc2nc(Br)cc(Br)c2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	304 -> "582 | C[C@@H]1Cc2nc(Br)cc(Br)c2N[C@H]1C1CC1" [label=""]
	"583 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	305 -> "583 | O=Nc1ccccc1" [label=""]
	"584 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	305 -> "584 | C[C@@H]1C(=O)c2nc(Br)ccc2N[C@H]1C1CC1" [label=""]
	"585 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	306 -> "585 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [label=""]
	"586 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	306 -> "586 | CC(=O)Cl" [label=""]
	"587 | CC(=O)N1C[C@H](C)C(=O)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	307 -> "587 | CC(=O)N1C[C@H](C)C(=O)c2nc(Br)ccc21" [label=""]
	"588 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	307 -> "588 | Nc1ccccc1" [label=""]
	"589 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	308 -> "589 | Nc1ccccc1" [label=""]
	"590 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	308 -> "590 | CC(=O)Cl" [label=""]
	"591 | C[C@H]1CNc2ccc(Br)nc2C1" [color=lightgrey shape=box style=filled]
	308 -> "591 | C[C@H]1CNc2ccc(Br)nc2C1" [label=""]
	"592 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	309 -> "592 | Nc1ccccc1" [label=""]
	"593 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	309 -> "593 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Br)ccc21" [label=""]
	"594 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	310 -> "594 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"595 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	310 -> "595 | O=C1CCC(=O)N1Br" [label=""]
	"596 | CC(=O)N1C[C@H](C)[C@@H](N)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	311 -> "596 | CC(=O)N1C[C@H](C)[C@@H](N)c2nc(Br)ccc21" [label=""]
	"597 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	311 -> "597 | Ic1ccccc1" [label=""]
	"598 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	312 -> "598 | Nc1ccccc1" [label=""]
	"599 | CC(=O)O" [color=lightyellow shape=box style=filled]
	312 -> "599 | CC(=O)O" [label=""]
	"600 | C[C@H]1CNc2ccc(Br)nc2C1" [color=lightgrey shape=box style=filled]
	312 -> "600 | C[C@H]1CNc2ccc(Br)nc2C1" [label=""]
	"601 | CC(=O)O" [color=lightyellow shape=box style=filled]
	313 -> "601 | CC(=O)O" [label=""]
	"602 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	313 -> "602 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [label=""]
	"603 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	314 -> "603 | O=Nc1ccccc1" [label=""]
	"604 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	314 -> "604 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Br)ccc21" [label=""]
	"605 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	315 -> "605 | Nc1ccccc1" [label=""]
	"606 | CC(=O)N1C[C@H](C)Cc2nc(Br)cc(Br)c21" [color=lightgrey shape=box style=filled]
	315 -> "606 | CC(=O)N1C[C@H](C)Cc2nc(Br)cc(Br)c21" [label=""]
	"607 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	316 -> "607 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [label=""]
	"608 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	316 -> "608 | CC(=O)Cl" [label=""]
	"609 | CC(=O)N1C[C@H](C)C(=O)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	317 -> "609 | CC(=O)N1C[C@H](C)C(=O)c2nc(Br)ccc21" [label=""]
	"610 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	317 -> "610 | Nc1ccccc1" [label=""]
	"611 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	318 -> "611 | Nc1ccccc1" [label=""]
	"612 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	318 -> "612 | CC(=O)Cl" [label=""]
	"613 | C[C@H]1CNc2ccc(Br)nc2C1" [color=lightgrey shape=box style=filled]
	318 -> "613 | C[C@H]1CNc2ccc(Br)nc2C1" [label=""]
	"614 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	319 -> "614 | Nc1ccccc1" [label=""]
	"615 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	319 -> "615 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Br)ccc21" [label=""]
	"616 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [color=lightgrey shape=box style=filled]
	320 -> "616 | CC(=O)N1C[C@H](C)[C@@H](Nc2ccccc2)c2ncccc21" [label=""]
	"617 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	320 -> "617 | O=C1CCC(=O)N1Br" [label=""]
	"618 | CC(=O)N1C[C@H](C)[C@@H](N)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	321 -> "618 | CC(=O)N1C[C@H](C)[C@@H](N)c2nc(Br)ccc21" [label=""]
	"619 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	321 -> "619 | Ic1ccccc1" [label=""]
	"620 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	322 -> "620 | Nc1ccccc1" [label=""]
	"621 | CC(=O)O" [color=lightyellow shape=box style=filled]
	322 -> "621 | CC(=O)O" [label=""]
	"622 | C[C@H]1CNc2ccc(Br)nc2C1" [color=lightgrey shape=box style=filled]
	322 -> "622 | C[C@H]1CNc2ccc(Br)nc2C1" [label=""]
	"623 | CC(=O)O" [color=lightyellow shape=box style=filled]
	323 -> "623 | CC(=O)O" [label=""]
	"624 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	323 -> "624 | C[C@H]1CNc2ccc(Br)nc2[C@@H]1Nc1ccccc1" [label=""]
	"625 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	324 -> "625 | O=Nc1ccccc1" [label=""]
	"626 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Br)ccc21" [color=lightgrey shape=box style=filled]
	324 -> "626 | CC(=O)N1C[C@H](C)[C@@H](O)c2nc(Br)ccc21" [label=""]
	"627 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	325 -> "627 | Nc1ccccc1" [label=""]
	"628 | CC(=O)N1C[C@H](C)Cc2nc(Br)cc(Br)c21" [color=lightgrey shape=box style=filled]
	325 -> "628 | CC(=O)N1C[C@H](C)Cc2nc(Br)cc(Br)c21" [label=""]
	"629 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	326 -> "629 | [Mg+]C1CC1" [label=""]
	"630 | C[C@H]1CNc2cccnc2C1=O" [color=lightgrey shape=box style=filled]
	326 -> "630 | C[C@H]1CNc2cccnc2C1=O" [label=""]
	"631 | CC[C@@H](Nc1cccnc1C(=O)O)C1CC1" [color=lightgrey shape=box style=filled]
	327 -> "631 | CC[C@@H](Nc1cccnc1C(=O)O)C1CC1" [label=""]
	"632 | [CH]C1CC1" [color=lightgrey shape=box style=filled]
	328 -> "632 | [CH]C1CC1" [label=""]
	"633 | C[CH]C(=O)c1ncccc1[NH]" [color=lightgrey shape=box style=filled]
	328 -> "633 | C[CH]C(=O)c1ncccc1[NH]" [label=""]
	"634 | BrC1CC1" [color=lightyellow shape=box style=filled]
	329 -> "634 | BrC1CC1" [label=""]
	"635 | C[C@H]1CNc2cccnc2C1=O" [color=lightgrey shape=box style=filled]
	329 -> "635 | C[C@H]1CNc2cccnc2C1=O" [label=""]
	"636 | Nc1cccnc1C(=O)O" [color=lightyellow shape=box style=filled]
	330 -> "636 | Nc1cccnc1C(=O)O" [label=""]
	"637 | CCCC1CC1" [color=lightgrey shape=box style=filled]
	330 -> "637 | CCCC1CC1" [label=""]
	"638 | CCC(=O)c1ncccc1NC(=O)C1CC1" [color=lightgrey shape=box style=filled]
	331 -> "638 | CCC(=O)c1ncccc1NC(=O)C1CC1" [label=""]
	"639 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	332 -> "639 | OB(O)C1CC1" [label=""]
	"640 | C[C@H]1CNc2cccnc2C1=O" [color=lightgrey shape=box style=filled]
	332 -> "640 | C[C@H]1CNc2cccnc2C1=O" [label=""]
	"641 | CCOC(=O)c1ncccc1N" [color=lightyellow shape=box style=filled]
	333 -> "641 | CCOC(=O)c1ncccc1N" [label=""]
	"642 | CCCC1CC1" [color=lightgrey shape=box style=filled]
	333 -> "642 | CCCC1CC1" [label=""]
	"643 | CC[C@@H](Nc1cccnc1C(=O)Cl)C1CC1" [color=lightgrey shape=box style=filled]
	334 -> "643 | CC[C@@H](Nc1cccnc1C(=O)Cl)C1CC1" [label=""]
	"644 | CCOC(=O)c1ncccc1N[C@H](CC)C1CC1" [color=lightgrey shape=box style=filled]
	335 -> "644 | CCOC(=O)c1ncccc1N[C@H](CC)C1CC1" [label=""]
	"645 | C[C@H]1CNc2cccnc2[C@@H]1O" [color=lightgrey shape=box style=filled]
	336 -> "645 | C[C@H]1CNc2cccnc2[C@@H]1O" [label=""]
	"646 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	336 -> "646 | [Mg+]C1CC1" [label=""]
	"647 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	337 -> "647 | OB(O)C1CC1" [label=""]
	"648 | C[C@H]1CNc2cccnc2[C@@H]1O" [color=lightgrey shape=box style=filled]
	337 -> "648 | C[C@H]1CNc2cccnc2[C@@H]1O" [label=""]
	"649 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [color=lightgrey shape=box style=filled]
	338 -> "649 | C[C@@H]1Cc2ncccc2N[C@H]1C1CC1" [label=""]
	"650 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	338 -> "650 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"651 | BrC1CC1" [color=lightyellow shape=box style=filled]
	339 -> "651 | BrC1CC1" [label=""]
	"652 | C[C@H]1CNc2cccnc2[C@@H]1O" [color=lightgrey shape=box style=filled]
	339 -> "652 | C[C@H]1CNc2cccnc2[C@@H]1O" [label=""]
	"653 | C[C@@H](C(=O)C1CC1)[C@@H](O)c1ncccc1N" [color=lightgrey shape=box style=filled]
	340 -> "653 | C[C@@H](C(=O)C1CC1)[C@@H](O)c1ncccc1N" [label=""]
	"654 | C[C@H](CO)[C@@H](Nc1cccnc1Cl)C1CC1" [color=lightgrey shape=box style=filled]
	341 -> "654 | C[C@H](CO)[C@@H](Nc1cccnc1Cl)C1CC1" [label=""]
	"655 | CC[C@@H](Nc1cccnc1C=O)C1CC1" [color=lightgrey shape=box style=filled]
	342 -> "655 | CC[C@@H](Nc1cccnc1C=O)C1CC1" [label=""]
	"656 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	343 -> "656 | [Mg+]C1CC1" [label=""]
	"657 | C[C@H]1CNc2cccnc2C1=O" [color=lightgrey shape=box style=filled]
	343 -> "657 | C[C@H]1CNc2cccnc2C1=O" [label=""]
	"658 | CC[C@@H](Nc1cccnc1C(=O)O)C1CC1" [color=lightgrey shape=box style=filled]
	344 -> "658 | CC[C@@H](Nc1cccnc1C(=O)O)C1CC1" [label=""]
	"659 | C[C@H](C(=O)O)[C@@H](Nc1cccnc1)C1CC1" [color=lightgrey shape=box style=filled]
	345 -> "659 | C[C@H](C(=O)O)[C@@H](Nc1cccnc1)C1CC1" [label=""]
	"660 | [Mg+]C1CC1" [color=lightyellow shape=box style=filled]
	346 -> "660 | [Mg+]C1CC1" [label=""]
	"661 | C[C@H]1CNc2cccnc2C1" [color=lightgrey shape=box style=filled]
	346 -> "661 | C[C@H]1CNc2cccnc2C1" [label=""]
	"662 | OB(O)C1CC1" [color=lightyellow shape=box style=filled]
	347 -> "662 | OB(O)C1CC1" [label=""]
	"663 | C[C@H]1CNc2cccnc2C1" [color=lightgrey shape=box style=filled]
	347 -> "663 | C[C@H]1CNc2cccnc2C1" [label=""]
	"664 | BrC1CC1" [color=lightyellow shape=box style=filled]
	348 -> "664 | BrC1CC1" [label=""]
	"665 | C[C@H]1CNc2cccnc2C1" [color=lightgrey shape=box style=filled]
	348 -> "665 | C[C@H]1CNc2cccnc2C1" [label=""]
	"666 | Cc1ncccc1N" [color=lightyellow shape=box style=filled]
	349 -> "666 | Cc1ncccc1N" [label=""]
	"667 | CC(=O)CC1CC1" [color=lightyellow shape=box style=filled]
	349 -> "667 | CC(=O)CC1CC1" [label=""]
	"668 | C[CH][CH]c1ncccc1[NH]" [color=lightgrey shape=box style=filled]
	350 -> "668 | C[CH][CH]c1ncccc1[NH]" [label=""]
	"669 | [CH]C1CC1" [color=lightgrey shape=box style=filled]
	350 -> "669 | [CH]C1CC1" [label=""]
	"670 | CCC(=O)C1CC1" [color=lightyellow shape=box style=filled]
	351 -> "670 | CCC(=O)C1CC1" [label=""]
	"671 | Cc1ncccc1N" [color=lightyellow shape=box style=filled]
	351 -> "671 | Cc1ncccc1N" [label=""]
	"672 | CC(=O)Cc1ncccc1N" [color=lightgrey shape=box style=filled]
	352 -> "672 | CC(=O)Cc1ncccc1N" [label=""]
	"673 | CC1CC1" [color=lightgrey shape=box style=filled]
	352 -> "673 | CC1CC1" [label=""]
	"674 | C[C@H](Cc1ncccc1Br)[C@@H](N)C1CC1" [color=lightgrey shape=box style=filled]
	353 -> "674 | C[C@H](Cc1ncccc1Br)[C@@H](N)C1CC1" [label=""]
	"675 | C[CH][CH]C1CC1" [color=lightgrey shape=box style=filled]
	354 -> "675 | C[CH][CH]C1CC1" [label=""]
	"676 | [CH]c1ncccc1[NH]" [color=lightgrey shape=box style=filled]
	354 -> "676 | [CH]c1ncccc1[NH]" [label=""]
	"677 | CCOP(=O)(OCC)C1CC1" [color=lightyellow shape=box style=filled]
	355 -> "677 | CCOP(=O)(OCC)C1CC1" [label=""]
	"678 | C[C@H]1CNc2cccnc2C1" [color=lightgrey shape=box style=filled]
	355 -> "678 | C[C@H]1CNc2cccnc2C1" [label=""]
	"679 | CNc1ccccc1" [color=lightyellow shape=box style=filled]
	356 -> "679 | CNc1ccccc1" [label=""]
	"680 | CC(C)(C)OC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	357 -> "680 | CC(C)(C)OC(=O)Nc1ccccc1" [label=""]
	"681 | CC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	358 -> "681 | CC(=O)Nc1ccccc1" [label=""]
	"682 | c1ccc(CNc2ccccc2)cc1" [color=lightyellow shape=box style=filled]
	359 -> "682 | c1ccc(CNc2ccccc2)cc1" [label=""]
	"683 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	360 -> "683 | O=Nc1ccccc1" [label=""]
	"684 | CC(C)(C)OC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	361 -> "684 | CC(C)(C)OC(=O)Nc1ccccc1" [label=""]
	"685 | O=[N+](Cl)c1ccccc1" [color=lightgrey shape=box style=filled]
	362 -> "685 | O=[N+](Cl)c1ccccc1" [label=""]
}
