0 B19R3.2183900 Brc1c(ccc2c1cccn2)NC3CCCC3 34a_200009995563_100000179811 [0,0,0,0,0,0|3,0,1]=4 1 B19R3.2183900 Brc1c(ccc2c1nccn2)Nc3ncns3 27a_100000729981_100000693119 [0,0,0,0,0,0|2,0,1]=3 2 B19R3.2183900 Brc1c(ccc2c1nccn2)Nc3nncs3 27a_100000729981_100000739804 [0,0,0,0,0,0|2,0,1]=3 3 B19R3.2183900 Cc1c(ccc2c1nccn2)C=C3CCCC3 271570a_100010378317_100135414757 [0,0,0,0,0,0|4,0,0]=4 4 B19R3.2183900 Cc1c(ccc2c1nccn2)NC3CCCC3 27a_100000211070_100135414757 [0,0,0,0,0,0|3,0,1]=4 5 B19R3.2183900 Cc1c(ccc2c1nccn2)Sc3ncc[nH]3 62a_100025796157_100135414757 [0,0,0,0,0,0|2,0,2]=4 6 B19R3.2183900 Cc1c(ccc2c1nccn2)Sc3ncc[nH]3 62a_100135414757_100025796157 [0,0,0,0,0,0|2,0,2]=4 7 B18R3.36580 C(=C1CCCC1)c2ccc3nccnc3c2 271570a_100010378317_100011219451 [1,0,0,0,0,0|3,0,0]=4 8 B18R3.36580 c1c[nH]c(n1)Sc2ccc3nccnc3c2 62a_100011219451_100025796157 [1,0,0,0,0,0|1,0,2]=4 9 B18R3.36580 c1c[nH]c(n1)Sc2ccc3nccnc3c2 62a_100025796157_100011219451 [1,0,0,0,0,0|1,0,2]=4 10 B18R3.36580 c1cnc2cc(ccc2n1)NC3CCCC3 27a_100000211070_100011219451 [1,0,0,0,0,0|2,0,1]=4 11 B18R3.36580 c1cnc2cc(ccc2n1)NC3CCCC3 34a_100011219565_100000179811 [1,0,0,0,0,0|2,0,1]=4 12 B18R3.36580 c1cnc2cc(ccc2n1)Nc3nncs3 27a_100011219565_100000739804 [1,0,0,0,0,0|2,0,1]=4 13 B18R3.36580 c1nsc(n1)Nc2ccc3nccnc3c2 27a_100011219565_100000693119 [1,0,0,0,0,0|2,0,1]=4 14 B20R3.12956 Cn1ncnc1Nc2ccc3nccnc3c2Br 27a_100000729981_100000732653 [0,1,0,0,0,0|1,0,1]=3 15 B20R3.85726 Cc1nc(no1)Nc2ccc3nccnc3c2Br 27a_100000729981_100012003639 [0,1,0,0,0,0|1,0,2]=4 16 B20R3.85726 Cc1nnc(o1)Nc2ccc3nccnc3c2Br 27a_100000729981_100000708914 [0,1,0,0,0,0|2,0,1]=4 17 B20R3.85726 Cc1nnc(s1)Nc2ccc3nccnc3c2Br 27a_100000729981_100000686958 [0,1,0,0,0,0|2,0,1]=4 18 B20R3.85726 Cc1nsc(n1)Nc2ccc3nccnc3c2Br 27a_100000729981_100000709739 [0,1,0,0,0,0|2,0,1]=4 19 B20R3.85726 Nc1nnc(s1)Nc2ccc3nccnc3c2Br 27a_100000729981_100000738278 [0,1,0,0,0,0|2,0,1]=4 20 B18R2.2054 CC=CC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000210699 [0,0,1,0,0,0|2,0,1]=4 21 B18R2.2054 CC=CC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000210699 [0,0,1,0,0,0|2,0,1]=4 22 B18R2.2054 CCCC(=O)Nc1ccc2ncccc2c1Br 11a_200009995563_100000211992 [0,0,1,0,0,0|3,0,0]=4 23 B18R2.2054 CCCC(=O)Nc1ccc2ncccc2c1Br 1626a_200009995563_100000211992 [0,0,1,0,0,0|3,0,0]=4 24 B18R2.2054 CCCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000211992 [0,0,1,0,0,0|2,0,0]=3 25 B18R2.2054 CCCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000211992 [0,0,1,0,0,0|2,0,0]=3 26 B18R2.2054 CCCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000211992 [0,0,1,0,0,0|2,0,0]=3 27 B18R2.2054 CCNC(=O)Nc1ccc2ccccc2c1Br 2430a_100000705303_100015525214 [0,0,1,0,0,0|3,0,0]=4 28 B18R2.2054 COCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000210968 [0,0,1,0,0,0|3,0,0]=4 29 B18R2.2054 COCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000210968 [0,0,1,0,0,0|3,0,0]=4 30 B18R2.2054 COCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000210968 [0,0,1,0,0,0|3,0,0]=4 31 B18R2.2054 CSCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000184570 [0,0,1,0,0,0|3,0,0]=4 32 B18R2.2054 CSCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000184570 [0,0,1,0,0,0|3,0,0]=4 33 B18R2.2054 CSCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000184570 [0,0,1,0,0,0|3,0,0]=4 34 B18R3.4383 Cc1c(ccc2c1nccn2)C3=CCCC3 271570a_100000089523_100135414757 [0,0,0,0,1,0|3,0,0]=4 35 B18R3.4383 Cc1c(ccc2c1nccn2)c3ncc[nH]3 271570a_100016988920_100135414757 [0,0,0,0,1,0|1,0,2]=4 36 B18R3.422385 Brc1c(ccc2c1cccn2)NC3CCC3 34a_200009995563_100000749161 [0,0,0,0,1,0|2,0,1]=4 37 B18R3.422385 Cc1c(ccc2c1nccn2)NC3CCC3 27a_100000749019_100135414757 [0,0,0,0,1,0|2,0,1]=4 38 B20R3.96365 Brc1c(ccc2c1nccn2)Nc3cccnn3 27a_100000729981_100016991348 [0,0,0,0,0,1|1,0,2]=4 39 B20R3.96365 Brc1c(ccc2c1nccn2)Nc3ccncn3 27a_100000729981_100000703185 [0,0,0,0,0,1|1,0,2]=4 40 B20R3.96365 Brc1c(ccc2c1nccn2)Nc3cnccn3 27a_100000729981_100000211759 [0,0,0,0,0,1|0,0,3]=4 41 B20R3.96365 Brc1c(ccc2c1nccn2)Nc3ncccn3 27a_100000729981_100000211032 [0,0,0,0,0,1|0,0,3]=4 42 B20R3.2857533 Brc1c(ccc2c1cccc2)NCC3=NCCN3 34a_100000705303_100000737910 [0,0,0,0,0,1|2,0,0]=3 43 B20R3.2857533 Brc1c(ccc2c1cccc2)OCC3=NCCN3 34a_100000183829_100000737910 [0,0,0,0,0,1|3,0,0]=4 44 B20R3.2857533 Brc1c(ccc2c1cccc2)OCC3=NCCN3 7a_100000183829_100000737910 [0,0,0,0,0,1|3,0,0]=4 45 B20R3.2857533 Brc1c(ccc2c1cccc2)SCC3=NCCN3 62a_100000737910_200010089984 [0,0,0,0,0,1|3,0,0]=4 46 B20R3.2857533 Brc1c(ccc2c1cccc2)SCC3=NCCN3 62a_200010089984_100000737910 [0,0,0,0,0,1|3,0,0]=4 47 B20R3.2857533 Brc1c(ccc2c1cccn2)NCC3=NCCN3 34a_200009995563_100000737910 [0,0,0,0,0,1|1,0,0]=2 48 B20R3.2857533 Brc1c(ccc2c1cccn2)NCc3ncc[nH]3 34a_200009995563_100016991755 [0,0,0,0,0,1|1,0,2]=4 49 B20R3.2857533 Brc1c(ccc2c1cccn2)NCc3nnn[nH]3 34a_200009995563_100000765167 [0,0,0,0,0,1|3,0,0]=4 50 B20R3.2857533 Brc1c(ccc2c1nccc2)OCC3=NCCN3 34a_100010173343_100000737910 [0,0,0,0,0,1|2,0,0]=3 51 B20R3.2857533 Brc1c(ccc2c1nccc2)OCC3=NCCN3 7a_100010173343_100000737910 [0,0,0,0,0,1|2,0,0]=3 52 B20R3.2857533 Cc1c(ccc2c1cccn2)SCC3=NCCN3 62a_100000737910_200010137439 [0,0,0,0,0,1|3,0,0]=4 53 B20R3.2857533 Cc1c(ccc2c1cccn2)SCC3=NCCN3 62a_200010137439_100000737910 [0,0,0,0,0,1|3,0,0]=4 54 B20R3.2857533 Cc1c(ccc2c1nccc2)SCC3=NCCN3 62a_100000737910_100010214467 [0,0,0,0,0,1|3,0,0]=4 55 B20R3.2857533 Cc1c(ccc2c1nccn2)NCc3ncc[nH]3 27a_100000754540_100135414757 [0,0,0,0,0,1|1,0,2]=4 56 B20R3.2857533 Cc1c(ccc2c1nccn2)NCc3nnc[nH]3 27a_200015183720_100135414757 [0,0,0,0,0,1|2,0,1]=4 57 B20R3.2857533 Cc1c(ccc2c1nccn2)NCc3nnn[nH]3 27a_100000739814_100135414757 [0,0,0,0,0,1|3,0,0]=4 58 B20R3.2857533 Cc1c(ccc2c1nccn2)SCC3=NCCN3 62a_100000737910_100135414757 [0,0,0,0,0,1|2,0,0]=3 59 B20R3.2857533 Cc1c(ccc2c1nccn2)SCC3=NCCN3 62a_100135414757_100000737910 [0,0,0,0,0,1|2,0,0]=3 60 B20R3.2857533 Clc1c(ccc2c1cccc2)NCC3=NCCN3 34a_100000075557_100000737910 [0,0,0,0,0,1|2,1,0]=4 61 B20R3.2857533 Fc1c(ccc2c1nccc2)SCC3=NCCN3 62a_100000737910_100010751467 [0,0,0,0,0,1|2,1,0]=4 62 B20R3.2857533 Fc1c(ccc2c1nccc2)SCC3=NCCN3 62a_100010751467_100000737910 [0,0,0,0,0,1|2,1,0]=4 63 B20R3.2857533 Nc1c(ccc2c1cccn2)SCC3=NCCN3 62a_200010235790_100000737910 [0,0,0,0,0,1|3,0,0]=4 64 B20R3.2857533 Oc1c(ccc2c1cccc2)NCC3=NCCN3 34a_100000007060_100000737910 [0,0,0,0,0,1|3,0,0]=4 65 B20R3.2857533 Oc1c(ccc2c1nccc2)SCC3=NCCN3 62a_100000737910_100009816563 [0,0,0,0,0,1|3,0,0]=4 66 B17R2.2159 CCCC(=O)Nc1ccc2nccnc2c1 11a_100011219565_100000211992 [1,0,1,0,0,0|2,0,0]=4 67 B17R2.2159 CCCC(=O)Nc1ccc2nccnc2c1 1626a_100011219565_100000211992 [1,0,1,0,0,0|2,0,0]=4 68 B17R2.2159 CCCC(=O)Nc1ccc2nccnc2c1 22a_100011219565_100000211992 [1,0,1,0,0,0|2,0,0]=4 69 B17R2.2159 CCCC(=O)Nc1ccc2nccnc2c1 527a_100011219565_100000211992 [1,0,1,0,0,0|2,0,0]=4 70 B17R2.2159 CCNC(=O)Nc1ccc2cccnc2c1 2430a_100102887122_100015525214 [1,0,1,0,0,0|2,0,0]=4 71 B17R2.7413 CCC(=O)Nc1ccc2ncccc2c1Br 11a_200009995563_100000210414 [1,0,1,0,0,0|2,0,0]=4 72 B17R2.7413 CCC(=O)Nc1ccc2ncccc2c1Br 1626a_200009995563_100000210414 [1,0,1,0,0,0|2,0,0]=4 73 B17R2.7413 CCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000210414 [1,0,1,0,0,0|1,0,0]=3 74 B17R2.7413 CCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000210414 [1,0,1,0,0,0|1,0,0]=3 75 B17R2.7413 CCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000210414 [1,0,1,0,0,0|1,0,0]=3 76 B17R2.7413 O=C(CO)Nc1ccc2nccnc2c1Br 527a_100000729981_100000210174 [1,0,1,0,0,0|2,0,0]=4 77 B19R2.45909 CCC(C)C(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100011192722 [0,1,1,0,0,0|2,0,0]=4 78 B19R2.45909 CCC(C)C(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100011192722 [0,1,1,0,0,0|2,0,0]=4 79 B19R2.45909 CCC(C)C(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100011192722 [0,1,1,0,0,0|2,0,0]=4 80 B19R2.52149 CCC=CC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000212282 [0,1,1,0,0,0|2,0,0]=4 81 B19R2.52149 CCC=CC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000212282 [0,1,1,0,0,0|2,0,0]=4 82 B19R2.52149 CCCCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000210183 [0,1,1,0,0,0|2,0,0]=4 83 B19R2.52149 CCCCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000210183 [0,1,1,0,0,0|2,0,0]=4 84 B19R2.52149 CCCCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000210183 [0,1,1,0,0,0|2,0,0]=4 85 B19R2.52149 CCOCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000211967 [0,1,1,0,0,0|2,0,0]=4 86 B19R2.52149 CCOCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000211967 [0,1,1,0,0,0|2,0,0]=4 87 B19R2.52149 CCOCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000211967 [0,1,1,0,0,0|2,0,0]=4 88 B19R2.52149 CCSCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000230394 [0,1,1,0,0,0|2,0,0]=4 89 B19R2.52149 CCSCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000230394 [0,1,1,0,0,0|2,0,0]=4 90 B19R2.52149 CCSCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000230394 [0,1,1,0,0,0|2,0,0]=4 91 B19R2.52149 COCCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000749529 [0,1,1,0,0,0|2,0,0]=4 92 B19R2.52149 COCCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000749529 [0,1,1,0,0,0|2,0,0]=4 93 B19R2.52149 COCCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000749529 [0,1,1,0,0,0|2,0,0]=4 94 B19R2.52149 CSCCC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000174002 [0,1,1,0,0,0|2,0,0]=4 95 B19R2.52149 CSCCC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000174002 [0,1,1,0,0,0|2,0,0]=4 96 B19R2.52149 CSCCC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000174002 [0,1,1,0,0,0|2,0,0]=4 97 B19R2.4527375 CC(C)CC(=O)Nc1ccc2nccnc2c1Br 11a_100000729981_100000210554 [0,1,1,0,0,0|2,0,0]=4 98 B19R2.4527375 CC(C)CC(=O)Nc1ccc2nccnc2c1Br 1626a_100000729981_100000210554 [0,1,1,0,0,0|2,0,0]=4 99 B19R2.4527375 CC(C)CC(=O)Nc1ccc2nccnc2c1Br 527a_100000729981_100000210554 [0,1,1,0,0,0|2,0,0]=4 100 B19R3.8809 Cn1ncnc1Nc2ccc3nccnc3c2 27a_100011219565_100000732653 [1,1,0,0,0,0|1,0,1]=4 101 B21R3.99368 COc1c(ccc2c1cccn2)NCC3=NCCN3 34a_100009831023_100000737910 [0,1,0,0,0,1|2,0,0]=4 102 B21R3.3944605 O=C(Nc1ccc2nccnc2c1Br)C3=CCCC3 11a_100000729981_100000038896 [0,1,0,0,0,1|2,0,0]=4 103 B21R3.3944605 O=C(Nc1ccc2nccnc2c1Br)C3=CCCC3 1626a_100000729981_100000038896 [0,1,0,0,0,1|2,0,0]=4 104 B21R3.40049843 Cc1ccc2c(c(ccc2n1)OCC3=NCCN3)Br 34a_100010269489_100000737910 [0,1,0,0,0,1|2,0,0]=4 105 B21R3.40049843 Cc1ccc2c(c(ccc2n1)OCC3=NCCN3)Br 7a_100010269489_100000737910 [0,1,0,0,0,1|2,0,0]=4 106 B21R3.35946 CCn1ncnc1Nc2ccc3nccnc3c2Br 27a_100000729981_100009879425 [0,2,0,0,0,0|1,0,1]=4 107 B21R3.58899 N#Cc1n[nH]c(n1)Nc2ccc3nccnc3c2Br 27a_100000729981_200010752602 [0,2,0,0,0,0|1,0,1]=4 108 B19R3.6785984 O=C(Nc1ccc2nccnc2c1Br)C3CC3 11a_100000729981_100000210395 [0,0,1,1,0,0|2,0,0]=4 109 B19R3.6785984 O=C(Nc1ccc2nccnc2c1Br)C3CC3 1626a_100000729981_100000210395 [0,0,1,1,0,0|2,0,0]=4 110 B19R3.6785984 O=C(Nc1ccc2nccnc2c1Br)C3CC3 527a_100000729981_100000210395 [0,0,1,1,0,0|2,0,0]=4 111 B17R2.2149 CCNC(=O)Nc1ccc2ncsc2c1Br 512a_100010007894_100015525214 [0,0,1,0,1,0|2,0,0]=4 112 B17R2.2149 CCNC(=O)Nc1ccc2scnc2c1Br 512a_100009816736_100015525214 [0,0,1,0,1,0|2,0,0]=4 113 B17R3.1917 C1=C(CCC1)c2ccc3nccnc3c2 271570a_100000089523_100011219451 [1,0,0,0,1,0|2,0,0]=4 114 B17R3.1917 c1c[nH]c(n1)c2ccc3nccnc3c2 271570a_100012359907_100025796157 [1,0,0,0,1,0|0,0,2]=4 115 B17R3.1917 c1c[nH]c(n1)c2ccc3nccnc3c2 271570a_100016988920_100011219451 [1,0,0,0,1,0|0,0,2]=4 116 B17R3.123564 c1cnc2cc(ccc2n1)NC3CCC3 27a_100000749019_100011219451 [1,0,0,0,1,0|1,0,1]=4 117 B17R3.123564 c1cnc2cc(ccc2n1)NC3CCC3 34a_100011219565_100000749161 [1,0,0,0,1,0|1,0,1]=4 118 B17R3.209177 Brc1c(ccc2c1cccn2)NC3CC3 34a_200009995563_100000211595 [0,0,0,0,2,0|1,0,1]=4 119 B17R3.209177 Cc1c(ccc2c1nccn2)NC3CC3 27a_100000212008_100135414757 [0,0,0,0,2,0|1,0,1]=4