digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CC(=O)N1c2ccc(N3CCNCC3)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 3 [label=0.000]
	"2 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	1 -> "2 | C1CNCCN1" [label=""]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" [color=lightblue shape=box style=filled]
	1 -> "3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" [label=""]
	"4 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	2 -> "4 | CC(=O)Cl" [label=""]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" [color=aquamarine shape=box style=filled]
	2 -> "5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" [label=""]
	"6 | CC(=O)O" [color=lightyellow shape=box style=filled]
	3 -> "6 | CC(=O)O" [label=""]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" [color=aquamarine shape=box style=filled]
	3 -> "7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" [label=""]
	4 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 8 [label=0.000]
	9 [color=lightblue shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 10 [label=0.000]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | CC(=O)N1c2ccc(Br)cc2[C@H](Nc2ccccc2)[C@@H](C)[C@@H]1C" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"5 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"7 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Nc1ccccc1" -> 33 [label=0.000]
	"8 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	4 -> "8 | CC(=O)Cl" [label=""]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" [color=aquamarine shape=box style=filled]
	4 -> "9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" [label=""]
	"10 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	5 -> "10 | Nc1ccccc1" [label=""]
	"11 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" [color=aquamarine shape=box style=filled]
	5 -> "11 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" [label=""]
	"12 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	6 -> "12 | Nc1ccccc1" [label=""]
	"13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" [color=aquamarine shape=box style=filled]
	6 -> "13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" [label=""]
	"14 | [NH]c1ccccc1" [color=lightblue shape=box style=filled]
	7 -> "14 | [NH]c1ccccc1" [label=""]
	"15 | CC(=O)N1c2ccc(Br)cc2[C][C@@H](C)[C@@H]1C" [color=aquamarine shape=box style=filled]
	7 -> "15 | CC(=O)N1c2ccc(Br)cc2[C][C@@H](C)[C@@H]1C" [label=""]
	"16 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	8 -> "16 | Nc1ccccc1" [label=""]
	"17 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" [color=aquamarine shape=box style=filled]
	8 -> "17 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" [label=""]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [color=lightblue shape=box style=filled]
	9 -> "18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [label=""]
	"19 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	9 -> "19 | CC(=O)Cl" [label=""]
	"20 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	9 -> "20 | Nc1ccccc1" [label=""]
	"21 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	10 -> "21 | Nc1ccccc1" [label=""]
	"22 | CC(=O)N1c2ccc(Br)cc2[C@H](O)[C@@H](C)[C@@H]1C" [color=lightgrey shape=box style=filled]
	10 -> "22 | CC(=O)N1c2ccc(Br)cc2[C@H](O)[C@@H](C)[C@@H]1C" [label=""]
	"23 | CC(=O)O" [color=lightyellow shape=box style=filled]
	11 -> "23 | CC(=O)O" [label=""]
	"24 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	11 -> "24 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" [label=""]
	"25 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	12 -> "25 | O=Nc1ccccc1" [label=""]
	"26 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" [color=lightgrey shape=box style=filled]
	12 -> "26 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" [label=""]
	"27 | CC(=O)N1c2ccc(Br)cc2[C@H](N)[C@@H](C)[C@@H]1C" [color=lightgrey shape=box style=filled]
	13 -> "27 | CC(=O)N1c2ccc(Br)cc2[C@H](N)[C@@H](C)[C@@H]1C" [label=""]
	"28 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	13 -> "28 | Ic1ccccc1" [label=""]
	"29 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	14 -> "29 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" [label=""]
	"30 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	14 -> "30 | C1CNCCN1" [label=""]
	"31 | C[C@@H]1Nc2ccc(N3CCNCC3)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	15 -> "31 | C[C@@H]1Nc2ccc(N3CCNCC3)cc2C(=O)[C@H]1C" [label=""]
	"32 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	15 -> "32 | Nc1ccccc1" [label=""]
	"33 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	16 -> "33 | [NH]c1ccccc1" [label=""]
	"34 | C[C@@H]1[C]c2cc(N3CCNCC3)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	16 -> "34 | C[C@@H]1[C]c2cc(N3CCNCC3)ccc2N[C@H]1C" [label=""]
	"35 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	17 -> "35 | Nc1ccccc1" [label=""]
	"36 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1O" [color=lightgrey shape=box style=filled]
	17 -> "36 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1O" [label=""]
	"37 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	18 -> "37 | Nc1ccccc1" [label=""]
	"38 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Cl" [color=lightgrey shape=box style=filled]
	18 -> "38 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Cl" [label=""]
	"39 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	19 -> "39 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [label=""]
	"40 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	19 -> "40 | Nc1ccccc1" [label=""]
	"41 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	19 -> "41 | C1CNCCN1" [label=""]
	"42 | C[C@@H]1Nc2ccc(N3CCNCC3)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	20 -> "42 | C[C@@H]1Nc2ccc(N3CCNCC3)cc2C(=O)[C@H]1C" [label=""]
	"43 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	20 -> "43 | O=Nc1ccccc1" [label=""]
	"44 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	21 -> "44 | O=Nc1ccccc1" [label=""]
	"45 | C[C@@H]1Cc2cc(N3CCNCC3)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	21 -> "45 | C[C@@H]1Cc2cc(N3CCNCC3)ccc2N[C@H]1C" [label=""]
	"46 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	22 -> "46 | O=Nc1ccccc1" [label=""]
	"47 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Cl" [color=lightgrey shape=box style=filled]
	22 -> "47 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Cl" [label=""]
	"48 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	23 -> "48 | O=Nc1ccccc1" [label=""]
	"49 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1O" [color=lightgrey shape=box style=filled]
	23 -> "49 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1O" [label=""]
	"50 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	24 -> "50 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" [label=""]
	"51 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	24 -> "51 | C1CNCCN1" [label=""]
	"52 | C[C@@H]1Nc2ccc(N3CCNCC3)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	25 -> "52 | C[C@@H]1Nc2ccc(N3CCNCC3)cc2C(=O)[C@H]1C" [label=""]
	"53 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	25 -> "53 | Nc1ccccc1" [label=""]
	"54 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	26 -> "54 | [NH]c1ccccc1" [label=""]
	"55 | C[C@@H]1[C]c2cc(N3CCNCC3)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	26 -> "55 | C[C@@H]1[C]c2cc(N3CCNCC3)ccc2N[C@H]1C" [label=""]
	"56 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	27 -> "56 | Nc1ccccc1" [label=""]
	"57 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1O" [color=lightgrey shape=box style=filled]
	27 -> "57 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1O" [label=""]
	"58 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	28 -> "58 | Nc1ccccc1" [label=""]
	"59 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Cl" [color=lightgrey shape=box style=filled]
	28 -> "59 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Cl" [label=""]
	"60 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	29 -> "60 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [label=""]
	"61 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	29 -> "61 | Nc1ccccc1" [label=""]
	"62 | C1CNCCN1" [color=lightyellow shape=box style=filled]
	29 -> "62 | C1CNCCN1" [label=""]
	"63 | C[C@@H]1Nc2ccc(N3CCNCC3)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	30 -> "63 | C[C@@H]1Nc2ccc(N3CCNCC3)cc2C(=O)[C@H]1C" [label=""]
	"64 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	30 -> "64 | O=Nc1ccccc1" [label=""]
	"65 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	31 -> "65 | O=Nc1ccccc1" [label=""]
	"66 | C[C@@H]1Cc2cc(N3CCNCC3)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	31 -> "66 | C[C@@H]1Cc2cc(N3CCNCC3)ccc2N[C@H]1C" [label=""]
	"67 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	32 -> "67 | O=Nc1ccccc1" [label=""]
	"68 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Cl" [color=lightgrey shape=box style=filled]
	32 -> "68 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1Cl" [label=""]
	"69 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	33 -> "69 | O=Nc1ccccc1" [label=""]
	"70 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1O" [color=lightgrey shape=box style=filled]
	33 -> "70 | C[C@H]1[C@H](C)Nc2ccc(N3CCNCC3)cc2[C@@H]1O" [label=""]
	34 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"9 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Nc1ccccc1" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"11 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"13 | CC(=O)N1c2ccc(Br)cc2[C@H](Cl)[C@@H](C)[C@@H]1C" -> 54 [label=0.000]
	55 [color=lightblue shape=rarrow style=filled]
	"14 | [NH]c1ccccc1" -> 55 [label=0.000]
	56 [color=lightblue shape=rarrow style=filled]
	"14 | [NH]c1ccccc1" -> 56 [label=0.000]
	57 [color=lightblue shape=rarrow style=filled]
	"14 | [NH]c1ccccc1" -> 57 [label=0.000]
	58 [color=lightblue shape=rarrow style=filled]
	"14 | [NH]c1ccccc1" -> 58 [label=0.000]
	59 [color=lightblue shape=rarrow style=filled]
	"14 | [NH]c1ccccc1" -> 59 [label=0.000]
	60 [color=lightblue shape=rarrow style=filled]
	"14 | [NH]c1ccccc1" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"14 | [NH]c1ccccc1" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"15 | CC(=O)N1c2ccc(Br)cc2[C][C@@H](C)[C@@H]1C" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"15 | CC(=O)N1c2ccc(Br)cc2[C][C@@H](C)[C@@H]1C" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"17 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 70 [label=0.000]
	71 [color=lightblue shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 76 [label=0.000]
	77 [color=lightblue shape=rarrow style=filled]
	"18 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" -> 77 [label=0.000]
	"71 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	34 -> "71 | Nc1ccccc1" [label=""]
	"72 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	34 -> "72 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [label=""]
	"73 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	35 -> "73 | Nc1ccccc1" [label=""]
	"74 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	35 -> "74 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [label=""]
	"75 | [NH]c1ccccc1" [color=lightgrey shape=box style=filled]
	36 -> "75 | [NH]c1ccccc1" [label=""]
	"76 | C[C@@H]1[C]c2cc(Br)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	36 -> "76 | C[C@@H]1[C]c2cc(Br)ccc2N[C@H]1C" [label=""]
	"77 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	37 -> "77 | Nc1ccccc1" [label=""]
	"78 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Cl" [color=lightgrey shape=box style=filled]
	37 -> "78 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Cl" [label=""]
	"79 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	38 -> "79 | Nc1ccccc1" [label=""]
	"80 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1O" [color=lightgrey shape=box style=filled]
	38 -> "80 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1O" [label=""]
	"81 | Nc1ccccc1" [color=lightyellow shape=box style=filled]
	39 -> "81 | Nc1ccccc1" [label=""]
	"82 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Br" [color=lightgrey shape=box style=filled]
	39 -> "82 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Br" [label=""]
	"83 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1N" [color=lightgrey shape=box style=filled]
	40 -> "83 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1N" [label=""]
	"84 | Ic1ccccc1" [color=lightyellow shape=box style=filled]
	40 -> "84 | Ic1ccccc1" [label=""]
	"85 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	41 -> "85 | O=C1CCC(=O)N1Br" [label=""]
	"86 | C[C@H]1[C@H](C)Nc2ccccc2[C@@H]1Nc1ccccc1" [color=lightgrey shape=box style=filled]
	41 -> "86 | C[C@H]1[C@H](C)Nc2ccccc2[C@@H]1Nc1ccccc1" [label=""]
	"87 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	42 -> "87 | O=Nc1ccccc1" [label=""]
	"88 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	42 -> "88 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [label=""]
	"89 | Nc1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	43 -> "89 | Nc1cccc(Br)c1" [label=""]
	"90 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	43 -> "90 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [label=""]
	"91 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	44 -> "91 | CC(=O)Cl" [label=""]
	"92 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	44 -> "92 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [label=""]
	"93 | CC(=O)O" [color=lightyellow shape=box style=filled]
	45 -> "93 | CC(=O)O" [label=""]
	"94 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	45 -> "94 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [label=""]
	"95 | C[C@H](NC(=O)C=O)[C@H](C)C(=O)Br" [color=lightgrey shape=box style=filled]
	46 -> "95 | C[C@H](NC(=O)C=O)[C@H](C)C(=O)Br" [label=""]
	"96 | Brc1ccc(Br)c(Br)c1" [color=lightyellow shape=box style=filled]
	46 -> "96 | Brc1ccc(Br)c(Br)c1" [label=""]
	"97 | ClCl" [color=lightyellow shape=box style=filled]
	46 -> "97 | ClCl" [label=""]
	"98 | ClCl" [color=lightyellow shape=box style=filled]
	47 -> "98 | ClCl" [label=""]
	"99 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	47 -> "99 | O=C1CCC(=O)N1Br" [label=""]
	"100 | C[C@H](NC(=O)C=O)[C@H](C)C(=O)c1cc(Br)ccc1Br" [color=lightgrey shape=box style=filled]
	47 -> "100 | C[C@H](NC(=O)C=O)[C@H](C)C(=O)c1cc(Br)ccc1Br" [label=""]
	"101 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	48 -> "101 | CC(=O)Cl" [label=""]
	"102 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Cl" [color=lightgrey shape=box style=filled]
	48 -> "102 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Cl" [label=""]
	"103 | CC(=O)O" [color=lightyellow shape=box style=filled]
	49 -> "103 | CC(=O)O" [label=""]
	"104 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Cl" [color=lightgrey shape=box style=filled]
	49 -> "104 | C[C@H]1[C@H](C)Nc2ccc(Br)cc2[C@@H]1Cl" [label=""]
	"105 | CC(=O)N1c2ccc(Br)cc2C[C@@H](C)[C@@H]1C" [color=lightgrey shape=box style=filled]
	50 -> "105 | CC(=O)N1c2ccc(Br)cc2C[C@@H](C)[C@@H]1C" [label=""]
	"106 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	50 -> "106 | ClC(Cl)(Cl)Cl" [label=""]
	"107 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	51 -> "107 | O=C1CCC(=O)N1Cl" [label=""]
	"108 | CC(=O)N1c2ccc(Br)cc2C[C@@H](C)[C@@H]1C" [color=lightgrey shape=box style=filled]
	51 -> "108 | CC(=O)N1c2ccc(Br)cc2C[C@@H](C)[C@@H]1C" [label=""]
	"109 | ClCl" [color=lightyellow shape=box style=filled]
	52 -> "109 | ClCl" [label=""]
	"110 | CC(=O)N1c2ccc(Br)cc2C[C@@H](C)[C@@H]1C" [color=lightgrey shape=box style=filled]
	52 -> "110 | CC(=O)N1c2ccc(Br)cc2C[C@@H](C)[C@@H]1C" [label=""]
	"111 | Cl" [color=lightyellow shape=box style=filled]
	53 -> "111 | Cl" [label=""]
	"112 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" [color=lightgrey shape=box style=filled]
	53 -> "112 | CC(=O)N1c2ccc(Br)cc2C(=O)[C@@H](C)[C@@H]1C" [label=""]
	"113 | ClC(Cl)(Cl)Br" [color=lightyellow shape=box style=filled]
	54 -> "113 | ClC(Cl)(Cl)Br" [label=""]
	"114 | CC(=O)[C@H](C)Nc1ccc(Br)cc1[C@@H](O)Cl" [color=lightgrey shape=box style=filled]
	54 -> "114 | CC(=O)[C@H](C)Nc1ccc(Br)cc1[C@@H](O)Cl" [label=""]
	"115 | O=CC(=O)Cl" [color=lightgrey shape=box style=filled]
	54 -> "115 | O=CC(=O)Cl" [label=""]
	"116 | CNc1ccccc1" [color=lightyellow shape=box style=filled]
	55 -> "116 | CNc1ccccc1" [label=""]
	"117 | CC(C)(C)OC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	56 -> "117 | CC(C)(C)OC(=O)Nc1ccccc1" [label=""]
	"118 | CC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	57 -> "118 | CC(=O)Nc1ccccc1" [label=""]
	"119 | c1ccc(CNc2ccccc2)cc1" [color=lightyellow shape=box style=filled]
	58 -> "119 | c1ccc(CNc2ccccc2)cc1" [label=""]
	"120 | O=Nc1ccccc1" [color=lightyellow shape=box style=filled]
	59 -> "120 | O=Nc1ccccc1" [label=""]
	"121 | CC(C)(C)OC(=O)Nc1ccccc1" [color=lightyellow shape=box style=filled]
	60 -> "121 | CC(C)(C)OC(=O)Nc1ccccc1" [label=""]
	"122 | O=[N+](Cl)c1ccccc1" [color=lightgrey shape=box style=filled]
	61 -> "122 | O=[N+](Cl)c1ccccc1" [label=""]
	"123 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	62 -> "123 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [label=""]
	"124 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	62 -> "124 | CC(=O)Cl" [label=""]
	"125 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	63 -> "125 | C[C@@H]1Cc2cc(Br)ccc2N[C@H]1C" [label=""]
	"126 | CC(=O)O" [color=lightyellow shape=box style=filled]
	63 -> "126 | CC(=O)O" [label=""]
	"127 | CC(=O)Cl" [color=lightyellow shape=box style=filled]
	64 -> "127 | CC(=O)Cl" [label=""]
	"128 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	64 -> "128 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [label=""]
	"129 | CC(=O)O" [color=lightyellow shape=box style=filled]
	65 -> "129 | CC(=O)O" [label=""]
	"130 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [color=lightgrey shape=box style=filled]
	65 -> "130 | C[C@@H]1Nc2ccc(Br)cc2C(=O)[C@H]1C" [label=""]
	"131 | C[C@H](NC(=O)C=O)[C@H](C)C(=O)Br" [color=lightgrey shape=box style=filled]
	66 -> "131 | C[C@H](NC(=O)C=O)[C@H](C)C(=O)Br" [label=""]
	"132 | Brc1ccc(Br)c(Br)c1" [color=lightyellow shape=box style=filled]
	66 -> "132 | Brc1ccc(Br)c(Br)c1" [label=""]
	"133 | ClCl" [color=lightyellow shape=box style=filled]
	66 -> "133 | ClCl" [label=""]
	"134 | ClCl" [color=lightyellow shape=box style=filled]
	67 -> "134 | ClCl" [label=""]
	"135 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	67 -> "135 | O=C1CCC(=O)N1Br" [label=""]
	"136 | C[C@H](NC(=O)C=O)[C@H](C)C(=O)c1cc(Br)ccc1Br" [color=lightgrey shape=box style=filled]
	67 -> "136 | C[C@H](NC(=O)C=O)[C@H](C)C(=O)c1cc(Br)ccc1Br" [label=""]
	"137 | C[C@H]1CNc2ccc(Br)cc2C1" [color=lightgrey shape=box style=filled]
	68 -> "137 | C[C@H]1CNc2ccc(Br)cc2C1" [label=""]
	"138 | CI" [color=lightyellow shape=box style=filled]
	68 -> "138 | CI" [label=""]
	"139 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	69 -> "139 | O=C1CCC(=O)N1Br" [label=""]
	"140 | C[C@@H]1Cc2ccccc2N[C@H]1C" [color=lightgrey shape=box style=filled]
	69 -> "140 | C[C@@H]1Cc2ccccc2N[C@H]1C" [label=""]
	"141 | CCCc1cc(Br)ccc1N" [color=lightyellow shape=box style=filled]
	70 -> "141 | CCCc1cc(Br)ccc1N" [label=""]
	"142 | CC=O" [color=lightgrey shape=box style=filled]
	70 -> "142 | CC=O" [label=""]
	"143 | Cc1cc(Br)ccc1N" [color=lightyellow shape=box style=filled]
	71 -> "143 | Cc1cc(Br)ccc1N" [label=""]
	"144 | CCC(C)=O" [color=lightyellow shape=box style=filled]
	71 -> "144 | CCC(C)=O" [label=""]
	"145 | CCNc1ccc(Br)cc1CC(C)=O" [color=lightgrey shape=box style=filled]
	72 -> "145 | CCNc1ccc(Br)cc1CC(C)=O" [label=""]
	"146 | C[C@H]1CCc2cc(Br)ccc2N1" [color=lightgrey shape=box style=filled]
	73 -> "146 | C[C@H]1CCc2cc(Br)ccc2N1" [label=""]
	"147 | CI" [color=lightyellow shape=box style=filled]
	73 -> "147 | CI" [label=""]
	"148 | CCCc1cc(Br)ccc1NC(C)=O" [color=lightgrey shape=box style=filled]
	74 -> "148 | CCCc1cc(Br)ccc1NC(C)=O" [label=""]
	"149 | CC[C@H](C)Nc1ccc(Br)cc1CBr" [color=lightgrey shape=box style=filled]
	75 -> "149 | CC[C@H](C)Nc1ccc(Br)cc1CBr" [label=""]
	"150 | CC[C@H](C)Nc1ccc(Br)cc1C=O" [color=lightgrey shape=box style=filled]
	76 -> "150 | CC[C@H](C)Nc1ccc(Br)cc1C=O" [label=""]
	"151 | CCCc1cc(Br)ccc1N" [color=lightyellow shape=box style=filled]
	77 -> "151 | CCCc1cc(Br)ccc1N" [label=""]
	"152 | CCBr" [color=lightyellow shape=box style=filled]
	77 -> "152 | CCBr" [label=""]
}
