digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CCCCCN1C(=O)C2(CNC(=O)c3cc4c(cc32)OCO4)c2ccccc21" -> 10 [label=0.000]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" [color=lightblue shape=box style=filled]
	1 -> "2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" [label=""]
	"3 | CCCCCBr" [color=lightyellow shape=box style=filled]
	1 -> "3 | CCCCCBr" [label=""]
	"4 | CCCCCN1C(=O)C(CN)(c2cc3c(cc2C(=O)O)OCO3)c2ccccc21" [color=aquamarine shape=box style=filled]
	2 -> "4 | CCCCCN1C(=O)C(CN)(c2cc3c(cc2C(=O)O)OCO3)c2ccccc21" [label=""]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [color=aquamarine shape=box style=filled]
	3 -> "5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [label=""]
	"6 | CI" [color=lightyellow shape=box style=filled]
	3 -> "6 | CI" [label=""]
	"7 | CBr" [color=lightyellow shape=box style=filled]
	4 -> "7 | CBr" [label=""]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [color=aquamarine shape=box style=filled]
	4 -> "8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [label=""]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [color=aquamarine shape=box style=filled]
	5 -> "9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [label=""]
	"10 | C=O" [color=lightyellow shape=box style=filled]
	5 -> "10 | C=O" [label=""]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [color=aquamarine shape=box style=filled]
	6 -> "11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [label=""]
	"12 | CO" [color=lightyellow shape=box style=filled]
	6 -> "12 | CO" [label=""]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" [color=aquamarine shape=box style=filled]
	7 -> "13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" [label=""]
	"14 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	8 -> "14 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"15 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OC)ccc32)c2ccccc21" [color=aquamarine shape=box style=filled]
	8 -> "15 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OC)ccc32)c2ccccc21" [label=""]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" [color=aquamarine shape=box style=filled]
	9 -> "16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" [label=""]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [color=aquamarine shape=box style=filled]
	10 -> "17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [label=""]
	"18 | C[Mg+]" [color=lightyellow shape=box style=filled]
	10 -> "18 | C[Mg+]" [label=""]
	11 [color=lightblue shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"2 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc3c(cc21)OCO3" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | CCCCCN1C(=O)C(CN)(c2cc3c(cc2C(=O)O)OCO3)c2ccccc21" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | CCCCCN1C(=O)C(CN)(c2cc3c(cc2C(=O)O)OCO3)c2ccccc21" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"4 | CCCCCN1C(=O)C(CN)(c2cc3c(cc2C(=O)O)OCO3)c2ccccc21" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"5 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"8 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"9 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 54 [label=0.000]
	55 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"11 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"13 | CCCCCN1C(=O)C(CN)(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"15 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OC)ccc32)c2ccccc21" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"15 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OC)ccc32)c2ccccc21" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"15 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OC)ccc32)c2ccccc21" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"16 | CCCCCN1C(=O)C2(CNC(=O)c3cc(OCCl)c(O)cc32)c2ccccc21" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"17 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" -> 95 [label=0.000]
	"19 | NCC1(c2cc3c(cc2C(=O)O)OCO3)C(=O)Nc2ccccc21" [color=lightblue shape=box style=filled]
	11 -> "19 | NCC1(c2cc3c(cc2C(=O)O)OCO3)C(=O)Nc2ccccc21" [label=""]
	"20 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	12 -> "20 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"21 | CI" [color=lightyellow shape=box style=filled]
	12 -> "21 | CI" [label=""]
	"22 | Nc1ccccc1C1(C(=O)O)CNC(=O)c2cc3c(cc21)OCO3" [color=lightgrey shape=box style=filled]
	13 -> "22 | Nc1ccccc1C1(C(=O)O)CNC(=O)c2cc3c(cc21)OCO3" [label=""]
	"23 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	14 -> "23 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"24 | CI" [color=lightyellow shape=box style=filled]
	14 -> "24 | CI" [label=""]
	"25 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	15 -> "25 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"26 | CO" [color=lightyellow shape=box style=filled]
	15 -> "26 | CO" [label=""]
	"27 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	16 -> "27 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"28 | C=O" [color=lightyellow shape=box style=filled]
	16 -> "28 | C=O" [label=""]
	"29 | CBr" [color=lightyellow shape=box style=filled]
	17 -> "29 | CBr" [label=""]
	"30 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	17 -> "30 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"31 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(OCCl)cc21" [color=lightgrey shape=box style=filled]
	18 -> "31 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(OCCl)cc21" [label=""]
	"32 | COc1cc2c(c(Cl)c1O)C(=O)NCC21C(=O)Nc2ccccc21" [color=lightgrey shape=box style=filled]
	19 -> "32 | COc1cc2c(c(Cl)c1O)C(=O)NCC21C(=O)Nc2ccccc21" [label=""]
	"33 | CBr" [color=lightyellow shape=box style=filled]
	20 -> "33 | CBr" [label=""]
	"34 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	20 -> "34 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"35 | O=C(O)c1cc2c(cc1Br)OCO2" [color=lightyellow shape=box style=filled]
	21 -> "35 | O=C(O)c1cc2c(cc1Br)OCO2" [label=""]
	"36 | CCCCCN1C(=O)C(CN)c2ccccc21" [color=lightgrey shape=box style=filled]
	21 -> "36 | CCCCCN1C(=O)C(CN)c2ccccc21" [label=""]
	"37 | NCC1(c2cc3c(cc2C(=O)O)OCO3)C(=O)Nc2ccccc21" [color=lightgrey shape=box style=filled]
	22 -> "37 | NCC1(c2cc3c(cc2C(=O)O)OCO3)C(=O)Nc2ccccc21" [label=""]
	"38 | CCCCCBr" [color=lightyellow shape=box style=filled]
	22 -> "38 | CCCCCBr" [label=""]
	"39 | NCC1(c2cc(OCCl)c(O)cc2C(=O)O)C(=O)[N+](=O)c2ccccc21" [color=lightgrey shape=box style=filled]
	23 -> "39 | NCC1(c2cc(OCCl)c(O)cc2C(=O)O)C(=O)[N+](=O)c2ccccc21" [label=""]
	"40 | BrOBr" [color=lightgrey shape=box style=filled]
	23 -> "40 | BrOBr" [label=""]
	"41 | CCCCCBr" [color=lightyellow shape=box style=filled]
	23 -> "41 | CCCCCBr" [label=""]
	"42 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	24 -> "42 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"43 | CCCCCBr" [color=lightyellow shape=box style=filled]
	24 -> "43 | CCCCCBr" [label=""]
	"44 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	25 -> "44 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"45 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [color=lightgrey shape=box style=filled]
	26 -> "45 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [label=""]
	"46 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	27 -> "46 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"47 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	28 -> "47 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"48 | CCI" [color=lightyellow shape=box style=filled]
	28 -> "48 | CCI" [label=""]
	"49 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	29 -> "49 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"50 | CCBr" [color=lightyellow shape=box style=filled]
	29 -> "50 | CCBr" [label=""]
	"51 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	30 -> "51 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"52 | CCO" [color=lightyellow shape=box style=filled]
	30 -> "52 | CCO" [label=""]
	"53 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	31 -> "53 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"54 | CCO" [color=lightyellow shape=box style=filled]
	31 -> "54 | CCO" [label=""]
	"55 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	32 -> "55 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"56 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	33 -> "56 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"57 | CC[Mg+]" [color=lightyellow shape=box style=filled]
	33 -> "57 | CC[Mg+]" [label=""]
	"58 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	34 -> "58 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"59 | CCCCCBr" [color=lightyellow shape=box style=filled]
	34 -> "59 | CCCCCBr" [label=""]
	"60 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	35 -> "60 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"61 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [color=lightgrey shape=box style=filled]
	36 -> "61 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [label=""]
	"62 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	37 -> "62 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"63 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	38 -> "63 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"64 | CCI" [color=lightyellow shape=box style=filled]
	38 -> "64 | CCI" [label=""]
	"65 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	39 -> "65 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"66 | CCBr" [color=lightyellow shape=box style=filled]
	39 -> "66 | CCBr" [label=""]
	"67 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	40 -> "67 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"68 | CCO" [color=lightyellow shape=box style=filled]
	40 -> "68 | CCO" [label=""]
	"69 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	41 -> "69 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"70 | CCO" [color=lightyellow shape=box style=filled]
	41 -> "70 | CCO" [label=""]
	"71 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	42 -> "71 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"72 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	43 -> "72 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"73 | CC[Mg+]" [color=lightyellow shape=box style=filled]
	43 -> "73 | CC[Mg+]" [label=""]
	"74 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	44 -> "74 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"75 | CCCCCBr" [color=lightyellow shape=box style=filled]
	44 -> "75 | CCCCCBr" [label=""]
	"76 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	45 -> "76 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"77 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [color=lightgrey shape=box style=filled]
	46 -> "77 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [label=""]
	"78 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	47 -> "78 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"79 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	48 -> "79 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"80 | CCI" [color=lightyellow shape=box style=filled]
	48 -> "80 | CCI" [label=""]
	"81 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	49 -> "81 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"82 | CCBr" [color=lightyellow shape=box style=filled]
	49 -> "82 | CCBr" [label=""]
	"83 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	50 -> "83 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"84 | CCO" [color=lightyellow shape=box style=filled]
	50 -> "84 | CCO" [label=""]
	"85 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	51 -> "85 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"86 | CCO" [color=lightyellow shape=box style=filled]
	51 -> "86 | CCO" [label=""]
	"87 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	52 -> "87 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"88 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	53 -> "88 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"89 | CC[Mg+]" [color=lightyellow shape=box style=filled]
	53 -> "89 | CC[Mg+]" [label=""]
	"90 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	54 -> "90 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"91 | CCCCCBr" [color=lightyellow shape=box style=filled]
	54 -> "91 | CCCCCBr" [label=""]
	"92 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	55 -> "92 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"93 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [color=lightgrey shape=box style=filled]
	56 -> "93 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [label=""]
	"94 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	57 -> "94 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"95 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	58 -> "95 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"96 | CCI" [color=lightyellow shape=box style=filled]
	58 -> "96 | CCI" [label=""]
	"97 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	59 -> "97 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"98 | CCBr" [color=lightyellow shape=box style=filled]
	59 -> "98 | CCBr" [label=""]
	"99 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	60 -> "99 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"100 | CCO" [color=lightyellow shape=box style=filled]
	60 -> "100 | CCO" [label=""]
	"101 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	61 -> "101 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"102 | CCO" [color=lightyellow shape=box style=filled]
	61 -> "102 | CCO" [label=""]
	"103 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	62 -> "103 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"104 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	63 -> "104 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"105 | CC[Mg+]" [color=lightyellow shape=box style=filled]
	63 -> "105 | CC[Mg+]" [label=""]
	"106 | COc1cc(C(=O)O)c(Br)cc1O" [color=lightyellow shape=box style=filled]
	64 -> "106 | COc1cc(C(=O)O)c(Br)cc1O" [label=""]
	"107 | CCCCCN1C(=O)C(CN)c2ccccc21" [color=lightgrey shape=box style=filled]
	64 -> "107 | CCCCCN1C(=O)C(CN)c2ccccc21" [label=""]
	"108 | CCCCCN1C(=O)C(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	65 -> "108 | CCCCCN1C(=O)C(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" [label=""]
	"109 | NC=O" [color=lightyellow shape=box style=filled]
	65 -> "109 | NC=O" [label=""]
	"110 | COc1cc(C(=O)O)c(C2(CN)C(=O)Nc3ccccc32)cc1O" [color=lightgrey shape=box style=filled]
	66 -> "110 | COc1cc(C(=O)O)c(C2(CN)C(=O)Nc3ccccc32)cc1O" [label=""]
	"111 | CCCCCBr" [color=lightyellow shape=box style=filled]
	66 -> "111 | CCCCCBr" [label=""]
	"112 | COc1cc(C(=O)O)ccc1O" [color=lightyellow shape=box style=filled]
	67 -> "112 | COc1cc(C(=O)O)ccc1O" [label=""]
	"113 | CCCCCN1C(=O)C(CNC(=O)OC(C)(C)C)c2ccccc21" [color=lightgrey shape=box style=filled]
	67 -> "113 | CCCCCN1C(=O)C(CNC(=O)OC(C)(C)C)c2ccccc21" [label=""]
	"114 | COc1cc(C(=O)O)c(Cl)cc1O" [color=lightyellow shape=box style=filled]
	68 -> "114 | COc1cc(C(=O)O)c(Cl)cc1O" [label=""]
	"115 | CCCCCN1C(=O)C(CN)c2ccccc21" [color=lightgrey shape=box style=filled]
	68 -> "115 | CCCCCN1C(=O)C(CN)c2ccccc21" [label=""]
	"116 | CCCCCN1C(=O)C(C(N)C(=O)OC(C)(C)C)c2ccccc21" [color=lightgrey shape=box style=filled]
	69 -> "116 | CCCCCN1C(=O)C(C(N)C(=O)OC(C)(C)C)c2ccccc21" [label=""]
	"117 | COc1cc(C(=O)O)c(Br)cc1O" [color=lightyellow shape=box style=filled]
	69 -> "117 | COc1cc(C(=O)O)c(Br)cc1O" [label=""]
	"118 | CCCCCN1C(=O)C(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	70 -> "118 | CCCCCN1C(=O)C(c2cc(O)c(OC)cc2C(=O)O)c2ccccc21" [label=""]
	"119 | NCBr" [color=lightgrey shape=box style=filled]
	70 -> "119 | NCBr" [label=""]
	"120 | COc1cc(C(=O)O)c(Cl)cc1O" [color=lightyellow shape=box style=filled]
	71 -> "120 | COc1cc(C(=O)O)c(Cl)cc1O" [label=""]
	"121 | CCCCCN1C(=O)C(C(N)C(=O)OC(C)(C)C)c2ccccc21" [color=lightgrey shape=box style=filled]
	71 -> "121 | CCCCCN1C(=O)C(C(N)C(=O)OC(C)(C)C)c2ccccc21" [label=""]
	"122 | CCCCCN1C(=O)C(C=CC(O)=C(OC=O)C(=O)C(=O)C(=O)O)(C(N)=O)c2c[c]ccc21" [color=lightgrey shape=box style=filled]
	72 -> "122 | CCCCCN1C(=O)C(C=CC(O)=C(OC=O)C(=O)C(=O)C(=O)O)(C(N)=O)c2c[c]ccc21" [label=""]
	"123 | [Br]" [color=lightyellow shape=box style=filled]
	72 -> "123 | [Br]" [label=""]
	"124 | CCCCCN1C(=O)C(C=CC(O)=C(OC=O)C(=O)C(=O)C(=O)O)(C(N)=O)c2cc(Cl)ccc21" [color=lightgrey shape=box style=filled]
	73 -> "124 | CCCCCN1C(=O)C(C=CC(O)=C(OC=O)C(=O)C(=O)C(=O)O)(C(N)=O)c2cc(Cl)ccc21" [label=""]
	"125 | Br" [color=lightyellow shape=box style=filled]
	73 -> "125 | Br" [label=""]
	"126 | COc1ccc2c(c1)C(=O)NCC21C(=O)Nc2ccccc21" [color=lightgrey shape=box style=filled]
	74 -> "126 | COc1ccc2c(c1)C(=O)NCC21C(=O)Nc2ccccc21" [label=""]
	"127 | CCCCCBr" [color=lightyellow shape=box style=filled]
	74 -> "127 | CCCCCBr" [label=""]
	"128 | CCCCCN1C(=O)C(CN)(c2ccc(OC)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	75 -> "128 | CCCCCN1C(=O)C(CN)(c2ccc(OC)cc2C(=O)O)c2ccccc21" [label=""]
	"129 | [Br]" [color=lightyellow shape=box style=filled]
	76 -> "129 | [Br]" [label=""]
	"130 | COc1c[c]c(C(CN)(C(=O)O)c2ccccc2NC(Cl)CCC(=O)C=O)c(C(=O)O)c1" [color=lightgrey shape=box style=filled]
	76 -> "130 | COc1c[c]c(C(CN)(C(=O)O)c2ccccc2NC(Cl)CCC(=O)C=O)c(C(=O)O)c1" [label=""]
	"131 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [color=lightgrey shape=box style=filled]
	77 -> "131 | CCCCCN1C(=O)C2(CNC(=O)c3cc(O)c(O)cc32)c2ccccc21" [label=""]
	"132 | ClCCl" [color=lightyellow shape=box style=filled]
	77 -> "132 | ClCCl" [label=""]
	"133 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(OCCl)cc21" [color=lightgrey shape=box style=filled]
	78 -> "133 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(OCCl)cc21" [label=""]
	"134 | CCCCCBr" [color=lightyellow shape=box style=filled]
	78 -> "134 | CCCCCBr" [label=""]
	"135 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	79 -> "135 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"136 | ClCCl" [color=lightyellow shape=box style=filled]
	79 -> "136 | ClCCl" [label=""]
	"137 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	80 -> "137 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"138 | ClCCl" [color=lightyellow shape=box style=filled]
	80 -> "138 | ClCCl" [label=""]
	"139 | ClCCl" [color=lightyellow shape=box style=filled]
	81 -> "139 | ClCCl" [label=""]
	"140 | CCCCCN1C(=O)C(C[NH])(c2cc(O)c(O)cc2[C]=O)c2ccccc21" [color=lightgrey shape=box style=filled]
	81 -> "140 | CCCCCN1C(=O)C(C[NH])(c2cc(O)c(O)cc2[C]=O)c2ccccc21" [label=""]
	"141 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [color=lightgrey shape=box style=filled]
	82 -> "141 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [label=""]
	"142 | ClCCl" [color=lightyellow shape=box style=filled]
	82 -> "142 | ClCCl" [label=""]
	"143 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	83 -> "143 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"144 | ClCCl" [color=lightyellow shape=box style=filled]
	83 -> "144 | ClCCl" [label=""]
	"145 | CCI" [color=lightyellow shape=box style=filled]
	83 -> "145 | CCI" [label=""]
	"146 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	84 -> "146 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"147 | CCBr" [color=lightyellow shape=box style=filled]
	84 -> "147 | CCBr" [label=""]
	"148 | ClCCl" [color=lightyellow shape=box style=filled]
	84 -> "148 | ClCCl" [label=""]
	"149 | [CH2]C" [color=lightgrey shape=box style=filled]
	85 -> "149 | [CH2]C" [label=""]
	"150 | ClCCl" [color=lightyellow shape=box style=filled]
	85 -> "150 | ClCCl" [label=""]
	"151 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C([O])=O)c2ccccc21" [color=lightgrey shape=box style=filled]
	85 -> "151 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C([O])=O)c2ccccc21" [label=""]
	"152 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [color=lightgrey shape=box style=filled]
	86 -> "152 | O=C1NCC2(C(=O)Nc3ccccc32)c2cc(O)c(O)cc21" [label=""]
	"153 | CCCCCBr" [color=lightyellow shape=box style=filled]
	86 -> "153 | CCCCCBr" [label=""]
	"154 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	87 -> "154 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"155 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [color=lightgrey shape=box style=filled]
	88 -> "155 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)Cl)c2ccccc21" [label=""]
	"156 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	89 -> "156 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"157 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	90 -> "157 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"158 | CCI" [color=lightyellow shape=box style=filled]
	90 -> "158 | CCI" [label=""]
	"159 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	91 -> "159 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"160 | CCBr" [color=lightyellow shape=box style=filled]
	91 -> "160 | CCBr" [label=""]
	"161 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	92 -> "161 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"162 | CCO" [color=lightyellow shape=box style=filled]
	92 -> "162 | CCO" [label=""]
	"163 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	93 -> "163 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"164 | CCO" [color=lightyellow shape=box style=filled]
	93 -> "164 | CCO" [label=""]
	"165 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [color=lightgrey shape=box style=filled]
	94 -> "165 | CCCCCN1C(=O)C(CN)(c2cc(O)c([O+]=O)cc2C(=O)OCC)c2ccccc21" [label=""]
	"166 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [color=lightgrey shape=box style=filled]
	95 -> "166 | CCCCCN1C(=O)C(CN)(c2cc(O)c(O)cc2C(=O)O)c2ccccc21" [label=""]
	"167 | CC[Mg+]" [color=lightyellow shape=box style=filled]
	95 -> "167 | CC[Mg+]" [label=""]
	96 [color=lightblue shape=rarrow style=filled]
	"19 | NCC1(c2cc3c(cc2C(=O)O)OCO3)C(=O)Nc2ccccc21" -> 96 [label=0.000]
	"168 | NCC1C(=O)Nc2ccccc21" [color=lightyellow shape=box style=filled]
	96 -> "168 | NCC1C(=O)Nc2ccccc21" [label=""]
	"169 | O=C(O)c1cc2c(cc1Br)OCO2" [color=lightyellow shape=box style=filled]
	96 -> "169 | O=C(O)c1cc2c(cc1Br)OCO2" [label=""]
}
