digraph G {
	rankdir=LR
	node [shape=box]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" [color=lightblue shape=box style=filled]
	1 [color=lightblue shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 1 [label=0.000]
	2 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 2 [label=0.000]
	3 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 3 [label=0.000]
	4 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 4 [label=0.000]
	5 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 5 [label=0.000]
	6 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 6 [label=0.000]
	7 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 7 [label=0.000]
	8 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 8 [label=0.000]
	9 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 9 [label=0.000]
	10 [color=aquamarine shape=rarrow style=filled]
	"1 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(-c4cnn(C)c4)nc23)CC1" -> 10 [label=0.000]
	"2 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	1 -> "2 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" [color=lightblue shape=box style=filled]
	1 -> "3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" [label=""]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" [color=aquamarine shape=box style=filled]
	2 -> "4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" [label=""]
	"5 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	2 -> "5 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"6 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	3 -> "6 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"7 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)nc23)CC1" [color=aquamarine shape=box style=filled]
	3 -> "7 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)nc23)CC1" [label=""]
	"8 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Br)ccc4c3n2)cn1" [color=aquamarine shape=box style=filled]
	4 -> "8 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Br)ccc4c3n2)cn1" [label=""]
	"9 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	4 -> "9 | CN1CCNCC1" [label=""]
	"10 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	5 -> "10 | CN1CCNCC1" [label=""]
	"11 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Cl)ccc4c3n2)cn1" [color=aquamarine shape=box style=filled]
	5 -> "11 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Cl)ccc4c3n2)cn1" [label=""]
	"12 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	6 -> "12 | CN1CCNCC1" [label=""]
	"13 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(F)ccc4c3n2)cn1" [color=aquamarine shape=box style=filled]
	6 -> "13 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(F)ccc4c3n2)cn1" [label=""]
	"14 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(B(O)O)ccc4c3n2)cn1" [color=aquamarine shape=box style=filled]
	7 -> "14 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(B(O)O)ccc4c3n2)cn1" [label=""]
	"15 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	7 -> "15 | CN1CCNCC1" [label=""]
	"16 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(I)ccc4c3n2)cn1" [color=aquamarine shape=box style=filled]
	8 -> "16 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(I)ccc4c3n2)cn1" [label=""]
	"17 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	8 -> "17 | CN1CCNCC1" [label=""]
	"18 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[N+]3=O)cn1" [color=aquamarine shape=box style=filled]
	9 -> "18 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[N+]3=O)cn1" [label=""]
	"19 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	9 -> "19 | CN1CCNCC1" [label=""]
	"20 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	10 -> "20 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"21 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[NH2+]3)cn1" [color=aquamarine shape=box style=filled]
	10 -> "21 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[NH2+]3)cn1" [label=""]
	"22 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	10 -> "22 | CN1CCNCC1" [label=""]
	11 [color=aquamarine shape=rarrow style=filled]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" -> 11 [label=0.000]
	12 [color=aquamarine shape=rarrow style=filled]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" -> 12 [label=0.000]
	13 [color=aquamarine shape=rarrow style=filled]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" -> 13 [label=0.000]
	14 [color=aquamarine shape=rarrow style=filled]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" -> 14 [label=0.000]
	15 [color=aquamarine shape=rarrow style=filled]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" -> 15 [label=0.000]
	16 [color=aquamarine shape=rarrow style=filled]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" -> 16 [label=0.000]
	17 [color=lightblue shape=rarrow style=filled]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" -> 17 [label=0.000]
	18 [color=aquamarine shape=rarrow style=filled]
	"3 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Cl)nc23)CC1" -> 18 [label=0.000]
	19 [color=aquamarine shape=rarrow style=filled]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" -> 19 [label=0.000]
	20 [color=aquamarine shape=rarrow style=filled]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" -> 20 [label=0.000]
	21 [color=aquamarine shape=rarrow style=filled]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" -> 21 [label=0.000]
	22 [color=aquamarine shape=rarrow style=filled]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" -> 22 [label=0.000]
	23 [color=aquamarine shape=rarrow style=filled]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" -> 23 [label=0.000]
	24 [color=aquamarine shape=rarrow style=filled]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" -> 24 [label=0.000]
	25 [color=aquamarine shape=rarrow style=filled]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" -> 25 [label=0.000]
	26 [color=aquamarine shape=rarrow style=filled]
	"4 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)ccnc23)CC1" -> 26 [label=0.000]
	27 [color=aquamarine shape=rarrow style=filled]
	"7 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)nc23)CC1" -> 27 [label=0.000]
	28 [color=aquamarine shape=rarrow style=filled]
	"7 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)nc23)CC1" -> 28 [label=0.000]
	29 [color=aquamarine shape=rarrow style=filled]
	"7 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)nc23)CC1" -> 29 [label=0.000]
	30 [color=aquamarine shape=rarrow style=filled]
	"7 | CN1CCN(c2ccc3c(c2)[nH]c2c(C(N)=O)cc(Br)nc23)CC1" -> 30 [label=0.000]
	31 [color=aquamarine shape=rarrow style=filled]
	"8 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Br)ccc4c3n2)cn1" -> 31 [label=0.000]
	32 [color=aquamarine shape=rarrow style=filled]
	"8 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Br)ccc4c3n2)cn1" -> 32 [label=0.000]
	33 [color=aquamarine shape=rarrow style=filled]
	"8 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Br)ccc4c3n2)cn1" -> 33 [label=0.000]
	34 [color=aquamarine shape=rarrow style=filled]
	"8 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Br)ccc4c3n2)cn1" -> 34 [label=0.000]
	35 [color=aquamarine shape=rarrow style=filled]
	"11 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Cl)ccc4c3n2)cn1" -> 35 [label=0.000]
	36 [color=aquamarine shape=rarrow style=filled]
	"11 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Cl)ccc4c3n2)cn1" -> 36 [label=0.000]
	37 [color=aquamarine shape=rarrow style=filled]
	"11 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Cl)ccc4c3n2)cn1" -> 37 [label=0.000]
	38 [color=aquamarine shape=rarrow style=filled]
	"11 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(Cl)ccc4c3n2)cn1" -> 38 [label=0.000]
	39 [color=aquamarine shape=rarrow style=filled]
	"13 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(F)ccc4c3n2)cn1" -> 39 [label=0.000]
	40 [color=aquamarine shape=rarrow style=filled]
	"13 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(F)ccc4c3n2)cn1" -> 40 [label=0.000]
	41 [color=aquamarine shape=rarrow style=filled]
	"13 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(F)ccc4c3n2)cn1" -> 41 [label=0.000]
	42 [color=aquamarine shape=rarrow style=filled]
	"14 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(B(O)O)ccc4c3n2)cn1" -> 42 [label=0.000]
	43 [color=aquamarine shape=rarrow style=filled]
	"14 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(B(O)O)ccc4c3n2)cn1" -> 43 [label=0.000]
	44 [color=aquamarine shape=rarrow style=filled]
	"14 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(B(O)O)ccc4c3n2)cn1" -> 44 [label=0.000]
	45 [color=aquamarine shape=rarrow style=filled]
	"16 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(I)ccc4c3n2)cn1" -> 45 [label=0.000]
	46 [color=aquamarine shape=rarrow style=filled]
	"16 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(I)ccc4c3n2)cn1" -> 46 [label=0.000]
	47 [color=aquamarine shape=rarrow style=filled]
	"16 | Cn1cc(-c2cc(C(N)=O)c3[nH]c4cc(I)ccc4c3n2)cn1" -> 47 [label=0.000]
	48 [color=aquamarine shape=rarrow style=filled]
	"18 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[N+]3=O)cn1" -> 48 [label=0.000]
	49 [color=aquamarine shape=rarrow style=filled]
	"18 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[N+]3=O)cn1" -> 49 [label=0.000]
	50 [color=aquamarine shape=rarrow style=filled]
	"18 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[N+]3=O)cn1" -> 50 [label=0.000]
	51 [color=aquamarine shape=rarrow style=filled]
	"21 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[NH2+]3)cn1" -> 51 [label=0.000]
	52 [color=aquamarine shape=rarrow style=filled]
	"21 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[NH2+]3)cn1" -> 52 [label=0.000]
	53 [color=aquamarine shape=rarrow style=filled]
	"21 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[NH2+]3)cn1" -> 53 [label=0.000]
	54 [color=aquamarine shape=rarrow style=filled]
	"21 | Cn1cc(-c2cc(C(N)=O)c3c(n2)-c2ccc(B(O)O)cc2[NH2+]3)cn1" -> 54 [label=0.000]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" [color=aquamarine shape=box style=filled]
	11 -> "23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" [label=""]
	"24 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	11 -> "24 | CN1CCNCC1" [label=""]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" [color=aquamarine shape=box style=filled]
	12 -> "25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" [label=""]
	"26 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	12 -> "26 | CN1CCNCC1" [label=""]
	"27 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	13 -> "27 | CN1CCNCC1" [label=""]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" [color=aquamarine shape=box style=filled]
	13 -> "28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" [label=""]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" [color=aquamarine shape=box style=filled]
	14 -> "29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" [label=""]
	"30 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	14 -> "30 | CN1CCNCC1" [label=""]
	"31 | CN1CCN(c2ccc3c(c2)[nH]c2c(Br)cc(Cl)nc23)CC1" [color=aquamarine shape=box style=filled]
	15 -> "31 | CN1CCN(c2ccc3c(c2)[nH]c2c(Br)cc(Cl)nc23)CC1" [label=""]
	"32 | NC=O" [color=lightyellow shape=box style=filled]
	15 -> "32 | NC=O" [label=""]
	"33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" [color=aquamarine shape=box style=filled]
	16 -> "33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" [label=""]
	"34 | NC=O" [color=lightyellow shape=box style=filled]
	16 -> "34 | NC=O" [label=""]
	"35 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	17 -> "35 | CN1CCNCC1" [label=""]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" [color=lightblue shape=box style=filled]
	17 -> "36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" [label=""]
	"37 | NC=O" [color=lightyellow shape=box style=filled]
	17 -> "37 | NC=O" [label=""]
	"38 | Clc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [color=lightgrey shape=box style=filled]
	18 -> "38 | Clc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [label=""]
	"39 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	18 -> "39 | CN1CCNCC1" [label=""]
	"40 | NC=O" [color=lightyellow shape=box style=filled]
	18 -> "40 | NC=O" [label=""]
	"41 | NC(=O)c1ccnc2c1[nH]c1cc(Cl)ccc12" [color=lightgrey shape=box style=filled]
	19 -> "41 | NC(=O)c1ccnc2c1[nH]c1cc(Cl)ccc12" [label=""]
	"42 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	19 -> "42 | CN1CCNCC1" [label=""]
	"43 | NC(=O)c1ccnc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	20 -> "43 | NC(=O)c1ccnc2c1[nH]c1cc(Br)ccc12" [label=""]
	"44 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	20 -> "44 | CN1CCNCC1" [label=""]
	"45 | NC(=O)c1ccnc2c1[nH]c1cc(F)ccc12" [color=lightgrey shape=box style=filled]
	21 -> "45 | NC(=O)c1ccnc2c1[nH]c1cc(F)ccc12" [label=""]
	"46 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	21 -> "46 | CN1CCNCC1" [label=""]
	"47 | NC(=O)c1ccnc2c1[nH]c1cc(O)ccc12" [color=lightgrey shape=box style=filled]
	22 -> "47 | NC(=O)c1ccnc2c1[nH]c1cc(O)ccc12" [label=""]
	"48 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	22 -> "48 | CN1CCNCC1" [label=""]
	"49 | CN1CCN(c2ccc3c(c2)[nH]c2c(Br)ccnc23)CC1" [color=lightgrey shape=box style=filled]
	23 -> "49 | CN1CCN(c2ccc3c(c2)[nH]c2c(Br)ccnc23)CC1" [label=""]
	"50 | NC=O" [color=lightyellow shape=box style=filled]
	23 -> "50 | NC=O" [label=""]
	"51 | Brc1ccc2c(c1)[nH]c1cccnc12" [color=lightgrey shape=box style=filled]
	24 -> "51 | Brc1ccc2c(c1)[nH]c1cccnc12" [label=""]
	"52 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	24 -> "52 | CN1CCNCC1" [label=""]
	"53 | NC=O" [color=lightyellow shape=box style=filled]
	24 -> "53 | NC=O" [label=""]
	"54 | NC(=O)O" [color=lightyellow shape=box style=filled]
	25 -> "54 | NC(=O)O" [label=""]
	"55 | CN1CCN(c2ccc3c(c2)[nH]c2cccnc23)CC1" [color=lightgrey shape=box style=filled]
	25 -> "55 | CN1CCN(c2ccc3c(c2)[nH]c2cccnc23)CC1" [label=""]
	"56 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)ccnc23)CC1" [color=lightgrey shape=box style=filled]
	26 -> "56 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)ccnc23)CC1" [label=""]
	"57 | NC=O" [color=lightyellow shape=box style=filled]
	26 -> "57 | NC=O" [label=""]
	"58 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(Cl)ccc12" [color=lightgrey shape=box style=filled]
	27 -> "58 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(Cl)ccc12" [label=""]
	"59 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	27 -> "59 | CN1CCNCC1" [label=""]
	"60 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	28 -> "60 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(Br)ccc12" [label=""]
	"61 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	28 -> "61 | CN1CCNCC1" [label=""]
	"62 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	29 -> "62 | CN1CCNCC1" [label=""]
	"63 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(F)ccc12" [color=lightgrey shape=box style=filled]
	29 -> "63 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(F)ccc12" [label=""]
	"64 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(O)ccc12" [color=lightgrey shape=box style=filled]
	30 -> "64 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(O)ccc12" [label=""]
	"65 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	30 -> "65 | CN1CCNCC1" [label=""]
	"66 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	31 -> "66 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"67 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	31 -> "67 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" [label=""]
	"68 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	32 -> "68 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"69 | NC(=O)c1ccnc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	32 -> "69 | NC(=O)c1ccnc2c1[nH]c1cc(Br)ccc12" [label=""]
	"70 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	33 -> "70 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(Br)ccc12" [label=""]
	"71 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	33 -> "71 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"72 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	34 -> "72 | O=C1CCC(=O)N1Br" [label=""]
	"73 | NC(=O)c1c[c]nc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	34 -> "73 | NC(=O)c1c[c]nc2c1[nH]c1cc(Br)ccc12" [label=""]
	"74 | ClBr" [color=lightgrey shape=box style=filled]
	34 -> "74 | ClBr" [label=""]
	"75 | O=C(Cl)n1c[c]cn1" [color=lightgrey shape=box style=filled]
	34 -> "75 | O=C(Cl)n1c[c]cn1" [label=""]
	"76 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" [color=lightgrey shape=box style=filled]
	35 -> "76 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" [label=""]
	"77 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	35 -> "77 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"78 | NC(=O)c1ccnc2c1[nH]c1cc(Cl)ccc12" [color=lightgrey shape=box style=filled]
	36 -> "78 | NC(=O)c1ccnc2c1[nH]c1cc(Cl)ccc12" [label=""]
	"79 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	36 -> "79 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"80 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	37 -> "80 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"81 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(Cl)ccc12" [color=lightgrey shape=box style=filled]
	37 -> "81 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(Cl)ccc12" [label=""]
	"82 | NC(=O)c1cc(-c2cnn(C(=O)O)c2)nc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	38 -> "82 | NC(=O)c1cc(-c2cnn(C(=O)O)c2)nc2c1[nH]c1cc(Br)ccc12" [label=""]
	"83 | ClOCl" [color=lightyellow shape=box style=filled]
	38 -> "83 | ClOCl" [label=""]
	"84 | ClC(Cl)(Cl)Cl" [color=lightyellow shape=box style=filled]
	38 -> "84 | ClC(Cl)(Cl)Cl" [label=""]
	"85 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	39 -> "85 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"86 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" [color=lightgrey shape=box style=filled]
	39 -> "86 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" [label=""]
	"87 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	40 -> "87 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"88 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(F)ccc12" [color=lightgrey shape=box style=filled]
	40 -> "88 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(F)ccc12" [label=""]
	"89 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	41 -> "89 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"90 | NC(=O)c1ccnc2c1[nH]c1cc(F)ccc12" [color=lightgrey shape=box style=filled]
	41 -> "90 | NC(=O)c1ccnc2c1[nH]c1cc(F)ccc12" [label=""]
	"91 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	42 -> "91 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"92 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(B(O)O)ccc12" [color=lightgrey shape=box style=filled]
	42 -> "92 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(B(O)O)ccc12" [label=""]
	"93 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	43 -> "93 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"94 | NC(=O)c1ccnc2c1[nH]c1cc(B(O)O)ccc12" [color=lightgrey shape=box style=filled]
	43 -> "94 | NC(=O)c1ccnc2c1[nH]c1cc(B(O)O)ccc12" [label=""]
	"95 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	44 -> "95 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"96 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(B(O)O)ccc12" [color=lightgrey shape=box style=filled]
	44 -> "96 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(B(O)O)ccc12" [label=""]
	"97 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(I)ccc12" [color=lightgrey shape=box style=filled]
	45 -> "97 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(I)ccc12" [label=""]
	"98 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	45 -> "98 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"99 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	46 -> "99 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"100 | NC(=O)c1ccnc2c1[nH]c1cc(I)ccc12" [color=lightgrey shape=box style=filled]
	46 -> "100 | NC(=O)c1ccnc2c1[nH]c1cc(I)ccc12" [label=""]
	"101 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(I)ccc12" [color=lightgrey shape=box style=filled]
	47 -> "101 | NC(=O)c1cc(Br)nc2c1[nH]c1cc(I)ccc12" [label=""]
	"102 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	47 -> "102 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"103 | NC(=O)c1cc(Cl)nc2c1[N+](=O)c1cc(B(O)O)ccc1-2" [color=lightgrey shape=box style=filled]
	48 -> "103 | NC(=O)c1cc(Cl)nc2c1[N+](=O)c1cc(B(O)O)ccc1-2" [label=""]
	"104 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	48 -> "104 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"105 | NC(=O)c1ccnc2c1[N+](=O)c1cc(B(O)O)ccc1-2" [color=lightgrey shape=box style=filled]
	49 -> "105 | NC(=O)c1ccnc2c1[N+](=O)c1cc(B(O)O)ccc1-2" [label=""]
	"106 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	49 -> "106 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"107 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	50 -> "107 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"108 | NC(=O)c1cc(Br)nc2c1[N+](=O)c1cc(B(O)O)ccc1-2" [color=lightgrey shape=box style=filled]
	50 -> "108 | NC(=O)c1cc(Br)nc2c1[N+](=O)c1cc(B(O)O)ccc1-2" [label=""]
	"109 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	51 -> "109 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"110 | NC(=O)c1cc(Cl)nc2c1[NH2+]c1cc(B(O)O)ccc1-2" [color=lightgrey shape=box style=filled]
	51 -> "110 | NC(=O)c1cc(Cl)nc2c1[NH2+]c1cc(B(O)O)ccc1-2" [label=""]
	"111 | NC(=O)c1ccnc2c1[NH2+]c1cc(B(O)O)ccc1-2" [color=lightgrey shape=box style=filled]
	52 -> "111 | NC(=O)c1ccnc2c1[NH2+]c1cc(B(O)O)ccc1-2" [label=""]
	"112 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	52 -> "112 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"113 | NC(=O)c1cc(Br)nc2c1[NH2+]c1cc(B(O)O)ccc1-2" [color=lightgrey shape=box style=filled]
	53 -> "113 | NC(=O)c1cc(Br)nc2c1[NH2+]c1cc(B(O)O)ccc1-2" [label=""]
	"114 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [color=lightyellow shape=box style=filled]
	53 -> "114 | Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1" [label=""]
	"115 | CC1(C)OB(c2cnn(C=O)c2)OC1(C)C=O" [color=lightgrey shape=box style=filled]
	54 -> "115 | CC1(C)OB(c2cnn(C=O)c2)OC1(C)C=O" [label=""]
	"116 | OB(O)c1ccc(Br)c(Cl)c1" [color=lightyellow shape=box style=filled]
	54 -> "116 | OB(O)c1ccc(Br)c(Cl)c1" [label=""]
	"117 | NC(=O)c1ccnc(Br)c1N" [color=lightyellow shape=box style=filled]
	54 -> "117 | NC(=O)c1ccnc(Br)c1N" [label=""]
	55 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" -> 55 [label=0.000]
	56 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" -> 56 [label=0.000]
	57 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" -> 57 [label=0.000]
	58 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" -> 58 [label=0.000]
	59 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" -> 59 [label=0.000]
	60 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" -> 60 [label=0.000]
	61 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" -> 61 [label=0.000]
	62 [color=aquamarine shape=rarrow style=filled]
	"23 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" -> 62 [label=0.000]
	63 [color=aquamarine shape=rarrow style=filled]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" -> 63 [label=0.000]
	64 [color=aquamarine shape=rarrow style=filled]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" -> 64 [label=0.000]
	65 [color=aquamarine shape=rarrow style=filled]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" -> 65 [label=0.000]
	66 [color=aquamarine shape=rarrow style=filled]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" -> 66 [label=0.000]
	67 [color=aquamarine shape=rarrow style=filled]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" -> 67 [label=0.000]
	68 [color=aquamarine shape=rarrow style=filled]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" -> 68 [label=0.000]
	69 [color=aquamarine shape=rarrow style=filled]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" -> 69 [label=0.000]
	70 [color=aquamarine shape=rarrow style=filled]
	"25 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" -> 70 [label=0.000]
	71 [color=aquamarine shape=rarrow style=filled]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" -> 71 [label=0.000]
	72 [color=aquamarine shape=rarrow style=filled]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" -> 72 [label=0.000]
	73 [color=aquamarine shape=rarrow style=filled]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" -> 73 [label=0.000]
	74 [color=aquamarine shape=rarrow style=filled]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" -> 74 [label=0.000]
	75 [color=aquamarine shape=rarrow style=filled]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" -> 75 [label=0.000]
	76 [color=aquamarine shape=rarrow style=filled]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" -> 76 [label=0.000]
	77 [color=aquamarine shape=rarrow style=filled]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" -> 77 [label=0.000]
	78 [color=aquamarine shape=rarrow style=filled]
	"28 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" -> 78 [label=0.000]
	79 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 79 [label=0.000]
	80 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 80 [label=0.000]
	81 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 81 [label=0.000]
	82 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 82 [label=0.000]
	83 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 83 [label=0.000]
	84 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 84 [label=0.000]
	85 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 85 [label=0.000]
	86 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 86 [label=0.000]
	87 [color=aquamarine shape=rarrow style=filled]
	"29 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" -> 87 [label=0.000]
	88 [color=aquamarine shape=rarrow style=filled]
	"31 | CN1CCN(c2ccc3c(c2)[nH]c2c(Br)cc(Cl)nc23)CC1" -> 88 [label=0.000]
	89 [color=aquamarine shape=rarrow style=filled]
	"31 | CN1CCN(c2ccc3c(c2)[nH]c2c(Br)cc(Cl)nc23)CC1" -> 89 [label=0.000]
	90 [color=aquamarine shape=rarrow style=filled]
	"31 | CN1CCN(c2ccc3c(c2)[nH]c2c(Br)cc(Cl)nc23)CC1" -> 90 [label=0.000]
	91 [color=aquamarine shape=rarrow style=filled]
	"31 | CN1CCN(c2ccc3c(c2)[nH]c2c(Br)cc(Cl)nc23)CC1" -> 91 [label=0.000]
	92 [color=aquamarine shape=rarrow style=filled]
	"33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" -> 92 [label=0.000]
	93 [color=aquamarine shape=rarrow style=filled]
	"33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" -> 93 [label=0.000]
	94 [color=aquamarine shape=rarrow style=filled]
	"33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" -> 94 [label=0.000]
	95 [color=aquamarine shape=rarrow style=filled]
	"33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" -> 95 [label=0.000]
	96 [color=aquamarine shape=rarrow style=filled]
	"33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" -> 96 [label=0.000]
	97 [color=aquamarine shape=rarrow style=filled]
	"33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" -> 97 [label=0.000]
	98 [color=aquamarine shape=rarrow style=filled]
	"33 | CN1CCN(c2ccc3c(c2)[nH]c2c(Cl)cc(Cl)nc23)CC1" -> 98 [label=0.000]
	99 [color=aquamarine shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 99 [label=0.000]
	100 [color=aquamarine shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 100 [label=0.000]
	101 [color=aquamarine shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 101 [label=0.000]
	102 [color=aquamarine shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 102 [label=0.000]
	103 [color=aquamarine shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 103 [label=0.000]
	104 [color=lightblue shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 104 [label=0.000]
	105 [color=lightblue shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 105 [label=0.000]
	106 [color=aquamarine shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 106 [label=0.000]
	107 [color=lightblue shape=rarrow style=filled]
	"36 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" -> 107 [label=0.000]
	"118 | Clc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	55 -> "118 | Clc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [label=""]
	"119 | NC=O" [color=lightyellow shape=box style=filled]
	55 -> "119 | NC=O" [label=""]
	"120 | Clc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	56 -> "120 | Clc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [label=""]
	"121 | NC=O" [color=lightyellow shape=box style=filled]
	56 -> "121 | NC=O" [label=""]
	"122 | NC(=O)c1cc(Cl)nc2c1[nH]c1ccccc12" [color=lightgrey shape=box style=filled]
	57 -> "122 | NC(=O)c1cc(Cl)nc2c1[nH]c1ccccc12" [label=""]
	"123 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	57 -> "123 | O=C1CCC(=O)N1Cl" [label=""]
	"124 | N" [color=lightyellow shape=box style=filled]
	58 -> "124 | N" [label=""]
	"125 | O=C(O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" [color=lightgrey shape=box style=filled]
	58 -> "125 | O=C(O)c1cc(Cl)nc2c1[nH]c1cc(Cl)ccc12" [label=""]
	"126 | NC(=O)c1ccnc2c1[nH]c1cc(Cl)ccc12" [color=lightgrey shape=box style=filled]
	59 -> "126 | NC(=O)c1ccnc2c1[nH]c1cc(Cl)ccc12" [label=""]
	"127 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	59 -> "127 | O=C1CCC(=O)N1Cl" [label=""]
	"128 | Clc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [color=lightgrey shape=box style=filled]
	60 -> "128 | Clc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [label=""]
	"129 | NC(=O)O" [color=lightyellow shape=box style=filled]
	60 -> "129 | NC(=O)O" [label=""]
	"130 | Clc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [color=lightgrey shape=box style=filled]
	61 -> "130 | Clc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [label=""]
	"131 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	61 -> "131 | O=C1CCC(=O)N1Br" [label=""]
	"132 | NC=O" [color=lightyellow shape=box style=filled]
	61 -> "132 | NC=O" [label=""]
	"133 | NC(=O)c1cc(Cl)nc(-c2ccc(Cl)cc2Br)c1N" [color=lightgrey shape=box style=filled]
	62 -> "133 | NC(=O)c1cc(Cl)nc(-c2ccc(Cl)cc2Br)c1N" [label=""]
	"134 | Clc1cc(Br)c2[nH]c3cc(Br)ccc3c2n1" [color=lightgrey shape=box style=filled]
	63 -> "134 | Clc1cc(Br)c2[nH]c3cc(Br)ccc3c2n1" [label=""]
	"135 | NC=O" [color=lightyellow shape=box style=filled]
	63 -> "135 | NC=O" [label=""]
	"136 | NC(=O)c1cc(Cl)nc2c1[nH]c1ccccc12" [color=lightgrey shape=box style=filled]
	64 -> "136 | NC(=O)c1cc(Cl)nc2c1[nH]c1ccccc12" [label=""]
	"137 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	64 -> "137 | O=C1CCC(=O)N1Br" [label=""]
	"138 | Clc1cc(Cl)c2[nH]c3cc(Br)ccc3c2n1" [color=lightgrey shape=box style=filled]
	65 -> "138 | Clc1cc(Cl)c2[nH]c3cc(Br)ccc3c2n1" [label=""]
	"139 | NC=O" [color=lightyellow shape=box style=filled]
	65 -> "139 | NC=O" [label=""]
	"140 | O=C(O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	66 -> "140 | O=C(O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" [label=""]
	"141 | N" [color=lightyellow shape=box style=filled]
	66 -> "141 | N" [label=""]
	"142 | NC(=O)c1cc(Cl)nc(-c2ccc(Br)cc2Br)c1N" [color=lightgrey shape=box style=filled]
	67 -> "142 | NC(=O)c1cc(Cl)nc(-c2ccc(Br)cc2Br)c1N" [label=""]
	"143 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	68 -> "143 | O=C1CCC(=O)N1Br" [label=""]
	"144 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" [color=lightgrey shape=box style=filled]
	68 -> "144 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" [label=""]
	"145 | NC=O" [color=lightyellow shape=box style=filled]
	68 -> "145 | NC=O" [label=""]
	"146 | NC(=O)O" [color=lightyellow shape=box style=filled]
	69 -> "146 | NC(=O)O" [label=""]
	"147 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" [color=lightgrey shape=box style=filled]
	69 -> "147 | Clc1ccc2[nH]c3cc(Br)ccc3c2n1" [label=""]
	"148 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	70 -> "148 | O=C1CCC(=O)N1Cl" [label=""]
	"149 | NC(=O)c1ccnc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	70 -> "149 | NC(=O)c1ccnc2c1[nH]c1cc(Br)ccc12" [label=""]
	"150 | NC=O" [color=lightyellow shape=box style=filled]
	71 -> "150 | NC=O" [label=""]
	"151 | Fc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	71 -> "151 | Fc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [label=""]
	"152 | Fc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	72 -> "152 | Fc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [label=""]
	"153 | NC=O" [color=lightyellow shape=box style=filled]
	72 -> "153 | NC=O" [label=""]
	"154 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	73 -> "154 | O=C1CCC(=O)N1Cl" [label=""]
	"155 | NC(=O)c1ccnc2c1[nH]c1cc(F)ccc12" [color=lightgrey shape=box style=filled]
	73 -> "155 | NC(=O)c1ccnc2c1[nH]c1cc(F)ccc12" [label=""]
	"156 | NC(=O)c1cc(Cl)nc(-c2ccc(F)cc2Br)c1N" [color=lightgrey shape=box style=filled]
	74 -> "156 | NC(=O)c1cc(Cl)nc(-c2ccc(F)cc2Br)c1N" [label=""]
	"157 | N" [color=lightyellow shape=box style=filled]
	75 -> "157 | N" [label=""]
	"158 | O=C(O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" [color=lightgrey shape=box style=filled]
	75 -> "158 | O=C(O)c1cc(Cl)nc2c1[nH]c1cc(F)ccc12" [label=""]
	"159 | Fc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [color=lightgrey shape=box style=filled]
	76 -> "159 | Fc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [label=""]
	"160 | NC(=O)O" [color=lightyellow shape=box style=filled]
	76 -> "160 | NC(=O)O" [label=""]
	"161 | Fc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [color=lightgrey shape=box style=filled]
	77 -> "161 | Fc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [label=""]
	"162 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	77 -> "162 | O=C1CCC(=O)N1Br" [label=""]
	"163 | NC=O" [color=lightyellow shape=box style=filled]
	77 -> "163 | NC=O" [label=""]
	"164 | F" [color=lightyellow shape=box style=filled]
	78 -> "164 | F" [label=""]
	"165 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" [color=lightgrey shape=box style=filled]
	78 -> "165 | NC(=O)c1cc(Cl)nc2c1[nH]c1cc(Br)ccc12" [label=""]
	"166 | Oc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	79 -> "166 | Oc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [label=""]
	"167 | NC=O" [color=lightyellow shape=box style=filled]
	79 -> "167 | NC=O" [label=""]
	"168 | Oc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	80 -> "168 | Oc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [label=""]
	"169 | NC=O" [color=lightyellow shape=box style=filled]
	80 -> "169 | NC=O" [label=""]
	"170 | COc1ccc2c(c1)[nH]c1c(C(N)=O)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	81 -> "170 | COc1ccc2c(c1)[nH]c1c(C(N)=O)cc(Cl)nc12" [label=""]
	"171 | N" [color=lightyellow shape=box style=filled]
	82 -> "171 | N" [label=""]
	"172 | O=C(O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" [color=lightgrey shape=box style=filled]
	82 -> "172 | O=C(O)c1cc(Cl)nc2c1[nH]c1cc(O)ccc12" [label=""]
	"173 | NC(=O)c1ccnc2c1[nH]c1cc(O)ccc12" [color=lightgrey shape=box style=filled]
	83 -> "173 | NC(=O)c1ccnc2c1[nH]c1cc(O)ccc12" [label=""]
	"174 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	83 -> "174 | O=C1CCC(=O)N1Cl" [label=""]
	"175 | Oc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [color=lightgrey shape=box style=filled]
	84 -> "175 | Oc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [label=""]
	"176 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	84 -> "176 | O=C1CCC(=O)N1Br" [label=""]
	"177 | NC=O" [color=lightyellow shape=box style=filled]
	84 -> "177 | NC=O" [label=""]
	"178 | Oc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [color=lightgrey shape=box style=filled]
	85 -> "178 | Oc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [label=""]
	"179 | NC(=O)O" [color=lightyellow shape=box style=filled]
	85 -> "179 | NC(=O)O" [label=""]
	"180 | Oc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [color=lightgrey shape=box style=filled]
	86 -> "180 | Oc1ccc2c(c1)[nH]c1ccc(Cl)nc12" [label=""]
	"181 | NC(=O)O" [color=lightyellow shape=box style=filled]
	86 -> "181 | NC(=O)O" [label=""]
	"182 | NC(=O)c1cc(Cl)nc(-c2ccc(O)cc2Br)c1N" [color=lightgrey shape=box style=filled]
	87 -> "182 | NC(=O)c1cc(Cl)nc(-c2ccc(O)cc2Br)c1N" [label=""]
	"183 | Clc1cc(Br)c2[nH]c3cc(Br)ccc3c2n1" [color=lightgrey shape=box style=filled]
	88 -> "183 | Clc1cc(Br)c2[nH]c3cc(Br)ccc3c2n1" [label=""]
	"184 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	88 -> "184 | CN1CCNCC1" [label=""]
	"185 | Clc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	89 -> "185 | Clc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [label=""]
	"186 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	89 -> "186 | CN1CCNCC1" [label=""]
	"187 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	90 -> "187 | CN1CCNCC1" [label=""]
	"188 | Fc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	90 -> "188 | Fc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [label=""]
	"189 | Oc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	91 -> "189 | Oc1ccc2c(c1)[nH]c1c(Br)cc(Cl)nc12" [label=""]
	"190 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	91 -> "190 | CN1CCNCC1" [label=""]
	"191 | Clc1cc(Cl)c2[nH]c3cc(Br)ccc3c2n1" [color=lightgrey shape=box style=filled]
	92 -> "191 | Clc1cc(Cl)c2[nH]c3cc(Br)ccc3c2n1" [label=""]
	"192 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	92 -> "192 | CN1CCNCC1" [label=""]
	"193 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	93 -> "193 | CN1CCNCC1" [label=""]
	"194 | Clc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	93 -> "194 | Clc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [label=""]
	"195 | OB(O)c1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	94 -> "195 | OB(O)c1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [label=""]
	"196 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	94 -> "196 | CN1CCNCC1" [label=""]
	"197 | Fc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [color=lightgrey shape=box style=filled]
	95 -> "197 | Fc1ccc2c(c1)[nH]c1c(Cl)cc(Cl)nc12" [label=""]
	"198 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	95 -> "198 | CN1CCNCC1" [label=""]
	"199 | O=[N+]1c2cc(B(O)O)ccc2-c2nc(Cl)cc(Cl)c21" [color=lightgrey shape=box style=filled]
	96 -> "199 | O=[N+]1c2cc(B(O)O)ccc2-c2nc(Cl)cc(Cl)c21" [label=""]
	"200 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	96 -> "200 | CN1CCNCC1" [label=""]
	"201 | O=C(OO)c1cccc(Cl)c1" [color=lightyellow shape=box style=filled]
	97 -> "201 | O=C(OO)c1cccc(Cl)c1" [label=""]
	"202 | OB(O)c1ccc2c(c1)[NH2+]c1c(Cl)cc(Cl)nc1-2" [color=lightgrey shape=box style=filled]
	97 -> "202 | OB(O)c1ccc2c(c1)[NH2+]c1c(Cl)cc(Cl)nc1-2" [label=""]
	"203 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	97 -> "203 | CN1CCNCC1" [label=""]
	"204 | OB(O)c1ccc2c(c1)[NH2+]c1c(Cl)cc(Cl)nc1-2" [color=lightgrey shape=box style=filled]
	98 -> "204 | OB(O)c1ccc2c(c1)[NH2+]c1c(Cl)cc(Cl)nc1-2" [label=""]
	"205 | OO" [color=lightyellow shape=box style=filled]
	98 -> "205 | OO" [label=""]
	"206 | CN1CCNCC1" [color=lightyellow shape=box style=filled]
	98 -> "206 | CN1CCNCC1" [label=""]
	"207 | Clc1ccc2[nH]c3ccccc3c2n1" [color=lightgrey shape=box style=filled]
	99 -> "207 | Clc1ccc2[nH]c3ccccc3c2n1" [label=""]
	"208 | O=C1CCC(=O)N1Br" [color=lightyellow shape=box style=filled]
	99 -> "208 | O=C1CCC(=O)N1Br" [label=""]
	"209 | Nc1ccc(Cl)nc1-c1ccc(Br)cc1Br" [color=lightgrey shape=box style=filled]
	100 -> "209 | Nc1ccc(Cl)nc1-c1ccc(Br)cc1Br" [label=""]
	"210 | Brc1ccc2c(c1)[nH]c1cccnc12" [color=lightgrey shape=box style=filled]
	101 -> "210 | Brc1ccc2c(c1)[nH]c1cccnc12" [label=""]
	"211 | O=C1CCC(=O)N1Cl" [color=lightyellow shape=box style=filled]
	101 -> "211 | O=C1CCC(=O)N1Cl" [label=""]
	"212 | Nc1cc(Br)ccc1-c1nc(Cl)ccc1Br" [color=lightgrey shape=box style=filled]
	102 -> "212 | Nc1cc(Br)ccc1-c1nc(Cl)ccc1Br" [label=""]
	"213 | Nc1ccc(Cl)nc1-c1ccc(Br)cc1Cl" [color=lightgrey shape=box style=filled]
	103 -> "213 | Nc1ccc(Cl)nc1-c1ccc(Br)cc1Cl" [label=""]
	"214 | Nc1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	104 -> "214 | Nc1cccc(Br)c1" [label=""]
	"215 | Clc1cccc(Cl)n1" [color=lightyellow shape=box style=filled]
	104 -> "215 | Clc1cccc(Cl)n1" [label=""]
	"216 | Nc1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	105 -> "216 | Nc1cccc(Br)c1" [label=""]
	"217 | Oc1cccc(Cl)n1" [color=lightyellow shape=box style=filled]
	105 -> "217 | Oc1cccc(Cl)n1" [label=""]
	"218 | Nc1cc(Br)ccc1-c1nc(Cl)ccc1Cl" [color=lightgrey shape=box style=filled]
	106 -> "218 | Nc1cc(Br)ccc1-c1nc(Cl)ccc1Cl" [label=""]
	"219 | Clc1cccc(Br)n1" [color=lightyellow shape=box style=filled]
	107 -> "219 | Clc1cccc(Br)n1" [label=""]
	"220 | Nc1cccc(Br)c1" [color=lightyellow shape=box style=filled]
	107 -> "220 | Nc1cccc(Br)c1" [label=""]
}
