digraph G {
	rankdir=LR
	node [shape=box]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" [color=lightblue shape=box style=filled]
	1 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 1 [label=0.000]
	2 [color=lightblue shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 10 [label=0.000]
	"2 | FC(F)(F)c1ccnc(Cl)n1" [color=lightyellow shape=box style=filled]
	1 -> "2 | FC(F)(F)c1ccnc(Cl)n1" [label=""]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" [color=aquamarine shape=box style=filled]
	1 -> "3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" [label=""]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightblue shape=box style=filled]
	2 -> "4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"5 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(B2OC(C)(C)C(C)(C)O2)c1" [color=lightyellow shape=box style=filled]
	2 -> "5 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(B2OC(C)(C)C(C)(C)O2)c1" [label=""]
	"6 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)C3CCCCC3)s2)c1" [color=lightgrey shape=box style=filled]
	3 -> "6 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@](C)(O)C3CCCCC3)s2)c1" [label=""]
	"7 | O=C=O" [color=lightyellow shape=box style=filled]
	3 -> "7 | O=C=O" [label=""]
	"8 | Cc1cc(Br)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" [color=lightgrey shape=box style=filled]
	4 -> "8 | Cc1cc(Br)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" [label=""]
	"9 | Nc1nccc(C(F)(F)F)n1" [color=lightyellow shape=box style=filled]
	4 -> "9 | Nc1nccc(C(F)(F)F)n1" [label=""]
	"10 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	5 -> "10 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"11 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(Br)s2)c1" [color=lightgrey shape=box style=filled]
	5 -> "11 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(Br)s2)c1" [label=""]
	"12 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	6 -> "12 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"13 | Cc1cc(Br)cc(Nc2nccc(C(F)(F)F)n2)c1" [color=lightyellow shape=box style=filled]
	6 -> "13 | Cc1cc(Br)cc(Nc2nccc(C(F)(F)F)n2)c1" [label=""]
	"14 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	7 -> "14 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"15 | Cc1cc(Br)cc(Nc2nccc(C(F)(F)F)n2)c1" [color=lightyellow shape=box style=filled]
	7 -> "15 | Cc1cc(Br)cc(Nc2nccc(C(F)(F)F)n2)c1" [label=""]
	"16 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cncs2)c1" [color=lightgrey shape=box style=filled]
	8 -> "16 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cncs2)c1" [label=""]
	"17 | CC(=O)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	8 -> "17 | CC(=O)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"18 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	9 -> "18 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"19 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(Cl)s2)c1" [color=lightgrey shape=box style=filled]
	9 -> "19 | Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(Cl)s2)c1" [label=""]
	"20 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	10 -> "20 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"21 | Cc1cccc(Nc2nccc(C(F)(F)F)n2)c1" [color=lightgrey shape=box style=filled]
	10 -> "21 | Cc1cccc(Nc2nccc(C(F)(F)F)n2)c1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 16 [label=0.000]
	17 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"3 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)[C@H]3CC[C@H](C(=O)O)CC3)s2)c1" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 22 [label=0.000]
	23 [color=lightblue shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 24 [label=0.000]
	25 [color=lightblue shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 27 [label=0.000]
	28 [color=lightblue shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"4 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" -> 29 [label=0.000]
	"22 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	11 -> "22 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"23 | Cc1cc(N)cc(B(O)O)c1" [color=lightyellow shape=box style=filled]
	11 -> "23 | Cc1cc(N)cc(B(O)O)c1" [label=""]
	"24 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	12 -> "24 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"25 | Cc1cc(N)cc(Br)c1" [color=lightyellow shape=box style=filled]
	12 -> "25 | Cc1cc(N)cc(Br)c1" [label=""]
	"26 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	13 -> "26 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"27 | Cc1cc(N)cc(B(O)O)c1" [color=lightyellow shape=box style=filled]
	13 -> "27 | Cc1cc(N)cc(B(O)O)c1" [label=""]
	"28 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	14 -> "28 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"29 | Cc1cc(N)cc(Br)c1" [color=lightyellow shape=box style=filled]
	14 -> "29 | Cc1cc(N)cc(Br)c1" [label=""]
	"30 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	15 -> "30 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"31 | Cc1cc(N)cc(I)c1" [color=lightyellow shape=box style=filled]
	15 -> "31 | Cc1cc(N)cc(I)c1" [label=""]
	"32 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	16 -> "32 | C[C@@](O)(c1nccs1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"33 | Cc1cc(N)cc(B2OC(C)(C)C(C)(C)O2)c1" [color=lightyellow shape=box style=filled]
	16 -> "33 | Cc1cc(N)cc(B2OC(C)(C)C(C)(C)O2)c1" [label=""]
	"34 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	17 -> "34 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"35 | Cc1cc(N)cc(I)c1" [color=lightyellow shape=box style=filled]
	17 -> "35 | Cc1cc(N)cc(I)c1" [label=""]
	"36 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	18 -> "36 | C[C@@](O)(c1ncc(Br)s1)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"37 | Cc1cccc(N)c1" [color=lightyellow shape=box style=filled]
	18 -> "37 | Cc1cccc(N)c1" [label=""]
	"38 | O=C=O" [color=lightyellow shape=box style=filled]
	19 -> "38 | O=C=O" [label=""]
	"39 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)C3CCCCC3)s2)c1" [color=lightgrey shape=box style=filled]
	19 -> "39 | Cc1cc(N)cc(-c2cnc([C@@](C)(O)C3CCCCC3)s2)c1" [label=""]
	"40 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	20 -> "40 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"41 | Cc1cc(N)cc(-c2cnc(Br)s2)c1" [color=lightgrey shape=box style=filled]
	20 -> "41 | Cc1cc(N)cc(-c2cnc(Br)s2)c1" [label=""]
	"42 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	21 -> "42 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"43 | Brc1nccs1" [color=lightyellow shape=box style=filled]
	21 -> "43 | Brc1nccs1" [label=""]
	"44 | C[C@@](O)(c1nccs1)C1CCCCC1" [color=lightgrey shape=box style=filled]
	22 -> "44 | C[C@@](O)(c1nccs1)C1CCCCC1" [label=""]
	"45 | O=C=O" [color=lightyellow shape=box style=filled]
	22 -> "45 | O=C=O" [label=""]
	"46 | CC(=O)c1nccs1" [color=lightyellow shape=box style=filled]
	23 -> "46 | CC(=O)c1nccs1" [label=""]
	"47 | O=C(O)C1CCCCC1" [color=lightyellow shape=box style=filled]
	23 -> "47 | O=C(O)C1CCCCC1" [label=""]
	"48 | c1cscn1" [color=lightyellow shape=box style=filled]
	24 -> "48 | c1cscn1" [label=""]
	"49 | CC(=O)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	24 -> "49 | CC(=O)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"50 | CCO" [color=lightyellow shape=box style=filled]
	25 -> "50 | CCO" [label=""]
	"51 | Brc1nccs1" [color=lightyellow shape=box style=filled]
	25 -> "51 | Brc1nccs1" [label=""]
	"52 | O=C(O)C1CCCCC1" [color=lightyellow shape=box style=filled]
	25 -> "52 | O=C(O)C1CCCCC1" [label=""]
	"53 | O=C(O)[C@H]1CC[C@H]([C@@H](O)c2nccs2)CC1" [color=lightgrey shape=box style=filled]
	26 -> "53 | O=C(O)[C@H]1CC[C@H]([C@@H](O)c2nccs2)CC1" [label=""]
	"54 | CI" [color=lightyellow shape=box style=filled]
	26 -> "54 | CI" [label=""]
	"55 | CC(=O)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	27 -> "55 | CC(=O)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"56 | Brc1nccs1" [color=lightyellow shape=box style=filled]
	27 -> "56 | Brc1nccs1" [label=""]
	"57 | c1cscn1" [color=lightyellow shape=box style=filled]
	28 -> "57 | c1cscn1" [label=""]
	"58 | CC(=O)O" [color=lightyellow shape=box style=filled]
	28 -> "58 | CC(=O)O" [label=""]
	"59 | O=C(O)C1CCCCC1" [color=lightyellow shape=box style=filled]
	28 -> "59 | O=C(O)C1CCCCC1" [label=""]
	"60 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [color=lightgrey shape=box style=filled]
	29 -> "60 | C[C@@H](O)[C@H]1CC[C@H](C(=O)O)CC1" [label=""]
	"61 | Clc1nccs1" [color=lightyellow shape=box style=filled]
	29 -> "61 | Clc1nccs1" [label=""]
}
