0 B16R2.6175 Cc1cc(c(c(c1)Cl)NC2CCCC2)Cl 34a_100011996032_100000179811 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.6175 Clc1cc(c(c(c1)Cl)C=C2CCCC2)Cl 271570a_100010378317_200011216440 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.6175 Clc1cc(c(c(c1)Cl)NC2CCCC2)Cl 34a_100000210601_100000179811 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.6175 Clc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100025796157_200011216440 [0,0,0,0,0,0|2,0,2]=4 4 B16R2.6175 Clc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_200011216440_100025796157 [0,0,0,0,0,0|2,0,2]=4 5 B16R2.6175 Clc1cc(cc(c1C=C2CCCC2)Cl)Br 271570a_100010378317_200011263224 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.6175 Clc1cc(cc(c1NC2CCCC2)Cl)Br 34a_100000211608_100000179811 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.6175 Clc1cc(cc(c1Sc2ncc[nH]2)Cl)Br 62a_100025796157_200011263224 [0,0,0,0,0,0|2,0,2]=4 8 B16R2.6175 Clc1cc(cc(c1Sc2ncc[nH]2)Cl)Br 62a_200011263224_100025796157 [0,0,0,0,0,0|2,0,2]=4 9 B16R2.6175 Fc1cc(c(c(c1)Cl)C=C2CCCC2)Cl 271570a_100010378317_100010175091 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.6175 Fc1cc(c(c(c1)Cl)NC2CCCC2)Cl 34a_100000688861_100000179811 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.6175 Fc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100010175091_100025796157 [0,0,0,0,0,0|2,0,2]=4 12 B16R2.6175 Fc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100025796157_100010175091 [0,0,0,0,0,0|2,0,2]=4 13 B16R2.6175 Nc1cc(c(c(c1)Cl)C=C2CCCC2)F 271570a_100010378317_100014833993 [0,0,0,0,0,0|3,1,0]=4 14 B16R2.6175 Nc1cc(c(c(c1)Cl)OC2CCCC2)Cl 34a_100000695418_100000179811 [0,0,0,0,0,0|3,0,1]=4 15 B16R2.6175 Nc1cc(c(c(c1)Cl)OC2CCCC2)Cl 7a_100000695418_100000179811 [0,0,0,0,0,0|3,0,1]=4 16 B16R2.6175 Nc1cc(c(c(c1)Cl)Sc2ncc[nH]2)F 62a_100014833993_100025796157 [0,0,0,0,0,0|1,1,2]=4 17 B16R2.6175 Nc1cc(c(c(c1)Cl)Sc2ncc[nH]2)F 62a_100025796157_100014833993 [0,0,0,0,0,0|1,1,2]=4 18 B15R2.1154 Nc1ccc(c(c1)Cl)C=C2CCCC2 271570a_100010378317_100000761885 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.1154 Nc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100000761885_100025796157 [1,0,0,0,0,0|1,0,2]=4 20 B15R2.1154 Nc1ccc(c(c1)Cl)Sc2ncc[nH]2 62a_100025796157_100000761885 [1,0,0,0,0,0|1,0,2]=4 21 B15R2.15371 Clc1cccc(c1C=C2CCCC2)Cl 271570a_100010378317_100000034237 [1,0,0,0,0,0|3,0,0]=4 22 B15R2.15371 Clc1cccc(c1NC2CCCC2)Cl 34a_100000210028_100000179811 [1,0,0,0,0,0|2,0,1]=4 23 B15R2.15371 Clc1cccc(c1Nc2ncns2)Cl 27a_100000210028_100000693119 [1,0,0,0,0,0|2,0,1]=4 24 B15R2.15371 Clc1cccc(c1Nc2nncs2)Cl 27a_100000210028_100000739804 [1,0,0,0,0,0|2,0,1]=4 25 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000034237_100025796157 [1,0,0,0,0,0|1,0,2]=4 26 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000034237 [1,0,0,0,0,0|1,0,2]=4 27 B15R1.37637 CCCC(=O)Nc1c(cc(cc1Cl)C)Cl 1626a_100011996032_100000211992 [0,0,1,0,0,0|3,0,0]=4 28 B15R1.37637 CCCC(=O)Nc1c(cc(cc1Cl)Cl)Cl 11a_100000210601_100000211992 [0,0,1,0,0,0|3,0,0]=4 29 B15R1.37637 CCCC(=O)Nc1c(cc(cc1Cl)Cl)Cl 1626a_100000210601_100000211992 [0,0,1,0,0,0|3,0,0]=4 30 B15R1.37637 CCCC(=O)Nc1c(cc(cc1Cl)F)Cl 1626a_100000688861_100000211992 [0,0,1,0,0,0|3,0,0]=4 31 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)Br)C 512a_100015525214_100000741131 [0,0,1,0,0,0|3,0,0]=4 32 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)C)C 2430a_100000211461_100015525214 [0,0,1,0,0,0|3,0,0]=4 33 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)C)C 512a_100015525214_100000211461 [0,0,1,0,0,0|3,0,0]=4 34 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)C)Cl 2430a_100011996032_100015525214 [0,0,1,0,0,0|2,0,0]=3 35 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)C)O 2430a_100015906060_100015525214 [0,0,1,0,0,0|3,0,0]=4 36 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)Cl)C 2430a_100011215104_100015525214 [0,0,1,0,0,0|3,0,0]=4 37 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)Cl)F 2430a_100000688862_100015525214 [0,0,1,0,0,0|2,1,0]=4 38 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)F)C 2430a_100000725997_100015525214 [0,0,1,0,0,0|3,0,0]=4 39 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)F)F 2430a_100000688773_100015525214 [0,0,1,0,0,0|2,1,0]=4 40 B15R2.4201 Cc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100010233845_100025796157 [0,0,0,0,1,0|1,0,2]=4 41 B15R2.4201 Clc1cc(c(c(c1)Cl)C2=CCCC2)Cl 271570a_100000089523_200011216440 [0,0,0,0,1,0|3,0,0]=4 42 B15R2.4201 Clc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100016988920_200011216440 [0,0,0,0,1,0|1,0,2]=4 43 B15R2.4201 Clc1cc(cc(c1C2=CCCC2)Cl)Br 271570a_100000089523_200011263224 [0,0,0,0,1,0|3,0,0]=4 44 B15R2.4201 Clc1cc(cc(c1c2ncc[nH]2)Cl)Br 271570a_100016988920_200011263224 [0,0,0,0,1,0|1,0,2]=4 45 B15R2.4201 Fc1cc(c(c(c1)Cl)C2=CCCC2)Cl 271570a_100000089523_100010175091 [0,0,0,0,1,0|3,0,0]=4 46 B15R2.4201 Fc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100000722820_100025796157 [0,0,0,0,1,0|1,0,2]=4 47 B15R2.4201 Fc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100016988920_100010175091 [0,0,0,0,1,0|1,0,2]=4 48 B15R2.4201 Nc1cc(c(c(c1)Cl)C2=CCCC2)F 271570a_100000089523_100014833993 [0,0,0,0,1,0|2,1,0]=4 49 B15R2.4201 Nc1cc(c(c(c1)Cl)c2ncc[nH]2)F 271570a_100016988920_100014833993 [0,0,0,0,1,0|0,1,2]=4 50 B15R2.4203 Cc1cc(c(c(c1)Cl)NC2CCC2)Cl 34a_100011996032_100000749161 [0,0,0,0,1,0|2,0,1]=4 51 B15R2.4203 Clc1cc(c(c(c1)Cl)NC2CCC2)Cl 34a_100000210601_100000749161 [0,0,0,0,1,0|2,0,1]=4 52 B15R2.4203 Clc1cc(cc(c1NC2CCC2)Cl)Br 34a_100000211608_100000749161 [0,0,0,0,1,0|2,0,1]=4 53 B15R2.4203 Fc1cc(c(c(c1)Cl)NC2CCC2)Cl 34a_100000688861_100000749161 [0,0,0,0,1,0|2,0,1]=4 54 B15R2.4203 Nc1cc(c(c(c1)Cl)OC2CCC2)Cl 34a_100000695418_100000749161 [0,0,0,0,1,0|2,0,1]=4 55 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000184052_100000737910 [0,0,0,0,0,1|1,2,0]=4 56 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)C 34a_100000688863_100000737910 [0,0,0,0,0,1|2,1,0]=4 57 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100012339639_100000737910 [0,0,0,0,0,1|1,1,0]=3 58 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)F 34a_100012353694_100000737910 [0,0,0,0,0,1|1,2,0]=4 59 B17R2.83661 Cc1cc(c(c(c1)C)NCC2=NCCN2)C 34a_100000210045_100000737910 [0,0,0,0,0,1|3,0,0]=4 60 B17R2.83661 Cc1cc(c(c(c1)C)NCC2=NCCN2)C 7a_100000210045_100000737910 [0,0,0,0,0,1|3,0,0]=4 61 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)C 34a_100000211461_100000737910 [0,0,0,0,0,1|2,0,0]=3 62 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)C 7a_100000211461_100000737910 [0,0,0,0,0,1|2,0,0]=3 63 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100011996032_100000737910 [0,0,0,0,0,1|1,0,0]=2 64 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)O 34a_100015906060_100000737910 [0,0,0,0,0,1|2,0,0]=3 65 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100011996032_100016991755 [0,0,0,0,0,1|1,0,2]=4 66 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2nnn[nH]2)Cl 34a_100011996032_100000765167 [0,0,0,0,0,1|3,0,0]=4 67 B17R2.83661 Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000034925_100000737910 [0,0,0,0,0,1|2,0,0]=3 68 B17R2.83661 Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000034925_100000737910 [0,0,0,0,0,1|2,0,0]=3 69 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100012047207_100000737910 [0,0,0,0,0,1|2,1,0]=4 70 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Br 7a_100012047207_100000737910 [0,0,0,0,0,1|2,1,0]=4 71 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Cl 34a_100012353696_100000737910 [0,0,0,0,0,1|2,1,0]=4 72 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Cl 7a_100012353696_100000737910 [0,0,0,0,0,1|2,1,0]=4 73 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)F 34a_100011216670_100000737910 [0,0,0,0,0,1|2,1,0]=4 74 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)F 7a_100011216670_100000737910 [0,0,0,0,0,1|2,1,0]=4 75 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Br 34a_100000737279_100000737910 [0,0,0,0,0,1|3,0,0]=4 76 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Br 7a_100000737279_100000737910 [0,0,0,0,0,1|3,0,0]=4 77 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Cl 34a_100000692879_100000737910 [0,0,0,0,0,1|3,0,0]=4 78 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Cl 7a_100000692879_100000737910 [0,0,0,0,0,1|3,0,0]=4 79 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)F 34a_100011290887_100000737910 [0,0,0,0,0,1|3,0,0]=4 80 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)F 7a_100011290887_100000737910 [0,0,0,0,0,1|3,0,0]=4 81 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)I 7a_100011356821_100000737910 [0,0,0,0,0,1|3,0,0]=4 82 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)O 34a_100011934200_100000737910 [0,0,0,0,0,1|3,0,0]=4 83 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000741131_100000737910 [0,0,0,0,0,1|2,0,0]=3 84 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Br 7a_100000741131_100000737910 [0,0,0,0,0,1|2,0,0]=3 85 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100011215104_100000737910 [0,0,0,0,0,1|2,0,0]=3 86 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100011215104_100000737910 [0,0,0,0,0,1|2,0,0]=3 87 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)F 34a_100000725997_100000737910 [0,0,0,0,0,1|2,0,0]=3 88 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)F 7a_100000725997_100000737910 [0,0,0,0,0,1|2,0,0]=3 89 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100000709789_100000737910 [0,0,0,0,0,1|2,1,0]=4 90 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Br 7a_100000709789_100000737910 [0,0,0,0,0,1|2,1,0]=4 91 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100012017672_100000737910 [0,0,0,0,0,1|2,1,0]=4 92 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100012017672_100000737910 [0,0,0,0,0,1|2,1,0]=4 93 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)I)Br 7a_200000690823_100000737910 [0,0,0,0,0,1|2,1,0]=4 94 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)I)Cl 7a_100012344046_100000737910 [0,0,0,0,0,1|2,1,0]=4 95 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)O)Br 34a_100010371313_100000737910 [0,0,0,0,0,1|3,0,0]=4 96 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)O)Br 7a_100010371313_100000737910 [0,0,0,0,0,1|3,0,0]=4 97 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)N 34a_100010064301_100000737910 [0,0,0,0,0,1|2,1,0]=4 98 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Br)N 7a_100010064301_100000737910 [0,0,0,0,0,1|2,1,0]=4 99 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)N 34a_100000703291_100000737910 [0,0,0,0,0,1|3,0,0]=4 100 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)C)N 7a_100000703291_100000737910 [0,0,0,0,0,1|3,0,0]=4 101 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000211485_100000737910 [0,0,0,0,0,1|3,0,0]=4 102 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000211485_100000737910 [0,0,0,0,0,1|3,0,0]=4 103 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Cl 34a_100011218458_100000737910 [0,0,0,0,0,1|3,0,0]=4 104 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100011218458_100000737910 [0,0,0,0,0,1|3,0,0]=4 105 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)I 34a_200015900153_100000737910 [0,0,0,0,0,1|3,0,0]=4 106 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)I 7a_200015900153_100000737910 [0,0,0,0,0,1|3,0,0]=4 107 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)N 62a_100000215964_100000737910 [0,0,0,0,0,1|3,0,0]=4 108 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)C)N 62a_100000737910_100000215964 [0,0,0,0,0,1|3,0,0]=4 109 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200000035511 [0,0,0,0,0,1|3,0,0]=4 110 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)Cl 62a_200000035511_100000737910 [0,0,0,0,0,1|3,0,0]=4 111 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)F 62a_100000737910_100010079234 [0,0,0,0,0,1|3,0,0]=4 112 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)F 62a_100010079234_100000737910 [0,0,0,0,0,1|3,0,0]=4 113 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)F)N 62a_100000737910_100010115923 [0,0,0,0,0,1|2,1,0]=4 114 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)F)N 62a_100010115923_100000737910 [0,0,0,0,0,1|2,1,0]=4 115 B17R2.83661 Clc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000724118_100000737910 [0,0,0,0,0,1|1,2,0]=4 116 B17R2.83661 Clc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100011218119_100000737910 [0,0,0,0,0,1|1,1,0]=3 117 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 34a_200000243811_100000737910 [0,0,0,0,0,1|2,1,0]=4 118 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 7a_200000243811_100000737910 [0,0,0,0,0,1|2,1,0]=4 119 B17R2.83661 Clc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100000737910_200009992027 [0,0,0,0,0,1|2,1,0]=4 120 B17R2.83661 Clc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_200009992027_100000737910 [0,0,0,0,0,1|2,1,0]=4 121 B17R2.83661 Clc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000210601_100000737910 [0,0,0,0,0,1|1,0,0]=2 122 B17R2.83661 Clc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100000210601_100016991755 [0,0,0,0,0,1|1,0,2]=4 123 B17R2.83661 Clc1cc(c(c(c1)Cl)NCc2nnn[nH]2)Cl 34a_100000210601_100000765167 [0,0,0,0,0,1|3,0,0]=4 124 B17R2.83661 Clc1cc(c(c(c1)Cl)NN=C2CCCC2)Cl 4a_100000210454_100000210133 [0,0,0,0,0,1|3,0,0]=4 125 B17R2.83661 Clc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000210218_100000737910 [0,0,0,0,0,1|2,0,0]=3 126 B17R2.83661 Clc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000210218_100000737910 [0,0,0,0,0,1|2,0,0]=3 127 B17R2.83661 Clc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100000737910_200011216440 [0,0,0,0,0,1|2,0,0]=3 128 B17R2.83661 Clc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_200011216440_100000737910 [0,0,0,0,0,1|2,0,0]=3 129 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)Cl 34a_200012339341_100000737910 [0,0,0,0,0,1|2,1,0]=4 130 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)Cl 7a_200012339341_100000737910 [0,0,0,0,0,1|2,1,0]=4 131 B17R2.83661 Clc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100011216035_100000737910 [0,0,0,0,0,1|1,1,0]=3 132 B17R2.83661 Clc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000211608_100000737910 [0,0,0,0,0,1|1,0,0]=2 133 B17R2.83661 Clc1cc(cc(c1NCc2ncc[nH]2)Cl)Br 34a_100000211608_100016991755 [0,0,0,0,0,1|1,0,2]=4 134 B17R2.83661 Clc1cc(cc(c1NCc2nnn[nH]2)Cl)Br 34a_100000211608_100000765167 [0,0,0,0,0,1|3,0,0]=4 135 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100012337755_100000737910 [0,0,0,0,0,1|2,1,0]=4 136 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100012337755_100000737910 [0,0,0,0,0,1|2,1,0]=4 137 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000753780_100000737910 [0,0,0,0,0,1|2,0,0]=3 138 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000753780_100000737910 [0,0,0,0,0,1|2,0,0]=3 139 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)I 7a_100012339652_100000737910 [0,0,0,0,0,1|2,0,0]=3 140 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)I)I 7a_100009997439_100000737910 [0,0,0,0,0,1|2,1,0]=4 141 B17R2.83661 Clc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_200011263224 [0,0,0,0,0,1|2,0,0]=3 142 B17R2.83661 Clc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_200011263224_100000737910 [0,0,0,0,0,1|2,0,0]=3 143 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000211720_100000737910 [0,0,0,0,0,1|1,2,0]=4 144 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100000694656_100000737910 [0,0,0,0,0,1|1,1,0]=3 145 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)F 34a_100000211602_100000737910 [0,0,0,0,0,1|1,2,0]=4 146 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 34a_100011830411_100000737910 [0,0,0,0,0,1|2,1,0]=4 147 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 7a_100011830411_100000737910 [0,0,0,0,0,1|2,1,0]=4 148 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100000737910_100012356682 [0,0,0,0,0,1|2,1,0]=4 149 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100012356682_100000737910 [0,0,0,0,0,1|2,1,0]=4 150 B17R2.83661 Fc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000688861_100000737910 [0,0,0,0,0,1|1,0,0]=2 151 B17R2.83661 Fc1cc(c(c(c1)Cl)NCC2=NCCN2)F 34a_100000688773_100000737910 [0,0,0,0,0,1|1,1,0]=3 152 B17R2.83661 Fc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100000688861_100016991755 [0,0,0,0,0,1|1,0,2]=4 153 B17R2.83661 Fc1cc(c(c(c1)Cl)NCc2nnn[nH]2)Cl 34a_100000688861_100000765167 [0,0,0,0,0,1|3,0,0]=4 154 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100011217724_100000737910 [0,0,0,0,0,1|2,0,0]=3 155 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100011217724_100000737910 [0,0,0,0,0,1|2,0,0]=3 156 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)F 34a_100011935252_100000737910 [0,0,0,0,0,1|2,1,0]=4 157 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)F 7a_100011935252_100000737910 [0,0,0,0,0,1|2,1,0]=4 158 B17R2.83661 Fc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100000737910_100010175091 [0,0,0,0,0,1|2,0,0]=3 159 B17R2.83661 Fc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100010175091_100000737910 [0,0,0,0,0,1|2,0,0]=3 160 B17R2.83661 Fc1cc(c(c(c1)F)NCC2=NCCN2)F 34a_100000760425_100000737910 [0,0,0,0,0,1|1,2,0]=4 161 B17R2.83661 Fc1cc(c(c(c1)I)NCC2=NCCN2)F 34a_100102885649_100000737910 [0,0,0,0,0,1|1,2,0]=4 162 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100011215609_100000737910 [0,0,0,0,0,1|1,2,0]=4 163 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Br)Cl 34a_100011217455_100000737910 [0,0,0,0,0,1|1,2,0]=4 164 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000725741_100000737910 [0,0,0,0,0,1|1,1,0]=3 165 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Br 7a_100000725741_100000737910 [0,0,0,0,0,1|1,1,0]=3 166 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100000688862_100000737910 [0,0,0,0,0,1|1,1,0]=3 167 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100000688862_100000737910 [0,0,0,0,0,1|1,1,0]=3 168 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100000758902_100000737910 [0,0,0,0,0,1|1,2,0]=4 169 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Br 7a_100000758902_100000737910 [0,0,0,0,0,1|1,2,0]=4 170 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100000695146_100000737910 [0,0,0,0,0,1|1,2,0]=4 171 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100000695146_100000737910 [0,0,0,0,0,1|1,2,0]=4 172 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)I 34a_100012353610_100000737910 [0,0,0,0,0,1|1,2,0]=4 173 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100011216646_100000737910 [0,0,0,0,0,1|2,1,0]=4 174 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100011216646_100000737910 [0,0,0,0,0,1|2,1,0]=4 175 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_100010212234 [0,0,0,0,0,1|2,1,0]=4 176 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100010212234_100000737910 [0,0,0,0,0,1|2,1,0]=4 177 B17R2.83661 Nc1cc(c(c(c1)Br)OCC2=NCCN2)Br 34a_200000186426_100000737910 [0,0,0,0,0,1|1,2,0]=4 178 B17R2.83661 Nc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000695418_100000737910 [0,0,0,0,0,1|1,0,0]=2 179 B17R2.83661 Nc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000695418_100000737910 [0,0,0,0,0,1|1,0,0]=2 180 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 34a_100000695418_100016991755 [0,0,0,0,0,1|1,0,2]=4 181 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2ncc[nH]2)Cl 7a_100000695418_100000753453 [0,0,0,0,0,1|1,0,2]=4 182 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 34a_100000695418_100000765167 [0,0,0,0,0,1|3,0,0]=4 183 B17R2.83661 Nc1cc(c(c(c1)Cl)OCc2nnn[nH]2)Cl 7a_100000695418_100000765167 [0,0,0,0,0,1|3,0,0]=4 184 B17R2.83661 Nc1cc(c(c(c1)Cl)SCC2=NCCN2)F 62a_100000737910_100014833993 [0,0,0,0,0,1|1,1,0]=3 185 B17R2.83661 Nc1cc(c(c(c1)Cl)SCC2=NCCN2)F 62a_100014833993_100000737910 [0,0,0,0,0,1|1,1,0]=3 186 B17R2.83661 Nc1cc(c(c(c1)F)OCC2=NCCN2)F 34a_100016987357_100000737910 [0,0,0,0,0,1|1,2,0]=4 187 B17R2.83661 Nc1cc(c(c(c1)F)OCC2=NCCN2)F 7a_100016987357_100000737910 [0,0,0,0,0,1|1,2,0]=4 188 B17R2.83661 Nc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100000057532_100000737910 [0,0,0,0,0,1|1,2,0]=4 189 B17R2.83661 Nc1cc(c(c(c1)F)SCC2=NCCN2)F 62a_100000737910_100000057532 [0,0,0,0,0,1|1,2,0]=4 190 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000694353_100000737910 [0,0,0,0,0,1|3,0,0]=4 191 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000694353_100000737910 [0,0,0,0,0,1|3,0,0]=4 192 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Cl 34a_100000695819_100000737910 [0,0,0,0,0,1|3,0,0]=4 193 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100000695819_100000737910 [0,0,0,0,0,1|3,0,0]=4 194 B17R2.83661 Oc1cc(c(c(c1)F)NCC2=NCCN2)F 34a_100000036573_100000737910 [0,0,0,0,0,1|1,2,0]=4 195 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100015475841_100000737910 [0,0,0,0,0,1|2,1,0]=4 196 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100010883250_100000737910 [0,0,0,0,0,1|2,1,0]=4 197 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100010883250_100000737910 [0,0,0,0,0,1|2,1,0]=4 198 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)F 34a_100011217947_100000737910 [0,0,0,0,0,1|2,1,0]=4 199 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)F 7a_100011217947_100000737910 [0,0,0,0,0,1|2,1,0]=4 200 B14R1.20257 CCC(=O)Nc1c(cc(cc1Cl)C)Cl 1626a_100011996032_100000210414 [1,0,1,0,0,0|2,0,0]=4 201 B14R1.20257 CCC(=O)Nc1c(cc(cc1Cl)Cl)Cl 11a_100000210601_100000210414 [1,0,1,0,0,0|2,0,0]=4 202 B14R1.20257 CCC(=O)Nc1c(cc(cc1Cl)Cl)Cl 1626a_100000210601_100000210414 [1,0,1,0,0,0|2,0,0]=4 203 B14R1.20257 CCC(=O)Nc1c(cc(cc1Cl)F)Cl 1626a_100000688861_100000210414 [1,0,1,0,0,0|2,0,0]=4 204 B14R1.20257 CNC(=O)Nc1c(cc(cc1Cl)C)Cl 2430a_100011996032_100102657272 [1,0,1,0,0,0|2,0,0]=4 205 B14R1.6823 CCNC(=O)Nc1ccc(cc1Cl)Br 2430a_100000211467_100015525214 [1,0,1,0,0,0|2,0,0]=4 206 B14R1.6823 CCNC(=O)Nc1ccc(cc1Cl)C 2430a_100000210522_100015525214 [1,0,1,0,0,0|2,0,0]=4 207 B14R1.6823 CCNC(=O)Nc1ccc(cc1Cl)Cl 2430a_100000185861_100015525214 [1,0,1,0,0,0|2,0,0]=4 208 B14R1.6823 CCNC(=O)Nc1ccc(cc1Cl)F 2430a_100000212003_100015525214 [1,0,1,0,0,0|2,0,0]=4 209 B14R1.6823 CCNC(=O)Nc1ccc(cc1Cl)I 2430a_100011218065_100015525214 [1,0,1,0,0,0|2,0,0]=4 210 B14R1.6823 CCNC(=O)Nc1ccc(cc1Cl)O 2430a_100011215599_100015525214 [1,0,1,0,0,0|2,0,0]=4 211 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000211992 [1,0,1,0,0,0|2,0,0]=4 212 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000211992 [1,0,1,0,0,0|2,0,0]=4 213 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 11a_100015525214_100000211232 [1,0,1,0,0,0|2,0,0]=4 214 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 240690a_100015525214_100000211232 [1,0,1,0,0,0|2,0,0]=4 215 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 527a_100015525214_100000211232 [1,0,1,0,0,0|2,0,0]=4 216 B14R1.19171 CCNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100015525214 [1,0,1,0,0,0|1,1,0]=4 217 B14R1.19171 CCNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100015525214 [1,0,1,0,0,0|2,0,0]=4 218 B14R1.19171 CCNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100015525214 [1,0,1,0,0,0|1,1,0]=4 219 B16R1.3931 Cc1cc(c(c(c1)Cl)NC(=O)NC(C)C)Cl 2430a_100011996032_100138425928 [0,1,1,0,0,0|2,0,0]=4 220 B16R1.71802 CCNC(=O)Nc1c(cc(cc1Cl)OC)Cl 2430a_100000074854_100015525214 [0,1,1,0,0,0|2,0,0]=4 221 B16R1.91117 CCCNC(=O)Nc1c(cc(cc1Cl)C)Cl 2430a_100011996032_100020643023 [0,1,1,0,0,0|2,0,0]=4 222 B16R1.91117 Cc1cc(c(c(c1)Cl)NC(=O)NCCF)Cl 2430a_100011996032_100000724931 [0,1,1,0,0,0|2,0,0]=4 223 B16R1.91117 Cc1cc(c(c(c1)Cl)NC(=O)NCCO)Cl 2430a_100011996032_100000210304 [0,1,1,0,0,0|2,0,0]=4 224 B16R1.94273 CCN(C)C(=O)Nc1c(cc(cc1Cl)C)Cl 2430a_100011996032_100000225621 [0,1,1,0,0,0|2,0,0]=4 225 B16R2.14153 Cn1ncnc1Nc2c(cccc2Cl)Cl 27a_100000210028_100000732653 [1,1,0,0,0,0|1,0,1]=4 226 B18R2.6611 COc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100009955935_100000737910 [0,1,0,0,0,1|2,0,0]=4 227 B18R2.6611 N#Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100000236970_100000737910 [0,1,0,0,0,1|2,0,0]=4 228 B18R2.79251 COc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000074854_100000737910 [0,1,0,0,0,1|1,0,0]=3 229 B18R2.79251 Cc1cc(cc(c1NCC2=NCCN2)Cl)C#N 34a_100000038232_100000737910 [0,1,0,0,0,1|1,0,1]=4 230 B18R2.79251 Cc1cc(cc(c1NCC2=NCCN2)Cl)C#N 7a_100000038232_100000737910 [0,1,0,0,0,1|1,0,1]=4 231 B18R2.79251 N#Cc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 7a_100010188931_100000737910 [0,1,0,0,0,1|0,1,1]=4 232 B18R2.79251 N#Cc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 7a_100000035510_100000737910 [0,1,0,0,0,1|0,0,1]=3 233 B18R2.79251 N#Cc1cc(c(c(c1)Cl)NCC2=NCCN2)F 34a_100009869672_100000737910 [0,1,0,0,0,1|0,1,1]=4 234 B18R2.79251 N#Cc1cc(c(c(c1)Cl)NCC2=NCCN2)F 7a_100009869672_100000737910 [0,1,0,0,0,1|0,1,1]=4 235 B18R2.79251 N#Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000047131_100000737910 [0,1,0,0,0,1|1,0,1]=4 236 B18R2.79251 N#Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000047131_100000737910 [0,1,0,0,0,1|1,0,1]=4 237 B18R2.79251 N#Cc1cc(c(c(c1)I)NCC2=NCCN2)Cl 7a_200000050118_100000737910 [0,1,0,0,0,1|0,1,1]=4 238 B18R2.139302 Cc1c(cc(c(c1Br)NCC2=NCCN2)Cl)Cl 34a_200135200486_100000737910 [0,1,0,0,0,1|1,1,0]=4 239 B18R2.139302 Cc1c(cc(c(c1Cl)NCC2=NCCN2)Cl)Br 34a_200012356351_100000737910 [0,1,0,0,0,1|1,0,0]=3 240 B18R2.139302 Cc1c(cc(c(c1Cl)NCC2=NCCN2)Cl)Cl 34a_100012970278_100000737910 [0,1,0,0,0,1|1,0,0]=3 241 B18R2.139302 Cc1c(cc(c(c1Cl)NCC2=NCCN2)Cl)Cl 7a_100012970278_100000737910 [0,1,0,0,0,1|1,0,0]=3 242 B18R2.139302 Cc1cc(c(c(c1C)Br)NCC2=NCCN2)Cl 34a_200134767883_100000737910 [0,1,0,0,0,1|1,1,0]=4 243 B18R2.139302 Cc1cc(c(c(c1C)Br)NCC2=NCCN2)Cl 7a_200134767883_100000737910 [0,1,0,0,0,1|1,1,0]=4 244 B18R2.139302 Clc1c(cc(c(c1Cl)NCC2=NCCN2)Br)Br 34a_100011216298_100000737910 [0,1,0,0,0,1|1,1,0]=4 245 B18R2.139302 Clc1cc(c(c(c1Cl)Cl)NCC2=NCCN2)Cl 34a_100012970281_100000737910 [0,1,0,0,0,1|1,0,0]=3 246 B18R2.139302 Fc1c(cc(c(c1Cl)NCC2=NCCN2)Br)Cl 34a_100010240155_100000737910 [0,1,0,0,0,1|1,1,0]=4 247 B18R2.139302 Fc1cc(c(c(c1Br)Cl)OCC2=NCCN2)Cl 34a_200016072099_100000737910 [0,1,0,0,0,1|2,0,0]=4 248 B18R2.139302 Fc1cc(c(c(c1Br)Cl)OCC2=NCCN2)Cl 7a_200016072099_100000737910 [0,1,0,0,0,1|2,0,0]=4 249 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)Br)Cl 11a_100015525214_100012360385 [0,0,1,0,1,0|2,0,0]=4 250 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)Br)Cl 240690a_100015525214_100012360385 [0,0,1,0,1,0|2,0,0]=4 251 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)C)Cl 11a_100015525214_100009989429 [0,0,1,0,1,0|2,0,0]=4 252 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)C)Cl 240690a_100015525214_100009989429 [0,0,1,0,1,0|2,0,0]=4 253 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)C)Cl 527a_100015525214_100009989429 [0,0,1,0,1,0|2,0,0]=4 254 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)Cl)Cl 11a_100015525214_100011215713 [0,0,1,0,1,0|2,0,0]=4 255 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)Cl)Cl 240690a_100015525214_100011215713 [0,0,1,0,1,0|2,0,0]=4 256 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)F)Cl 11a_100015525214_100000703918 [0,0,1,0,1,0|2,0,0]=4 257 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)F)Cl 240690a_100015525214_100000703918 [0,0,1,0,1,0|2,0,0]=4 258 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)I)Cl 11a_100015525214_100010740244 [0,0,1,0,1,0|2,0,0]=4 259 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)I)Cl 240690a_100015525214_100010740244 [0,0,1,0,1,0|2,0,0]=4 260 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)I)Cl 527a_100015525214_100010740244 [0,0,1,0,1,0|2,0,0]=4 261 B14R1.18811 CCNC(=O)c1c(cc(cc1Cl)O)Cl 240690a_100015525214_100010423397 [0,0,1,0,1,0|2,0,0]=4 262 B14R2.739 Nc1ccc(c(c1)Cl)C2=CCCC2 271570a_100000089523_100000761885 [1,0,0,0,1,0|2,0,0]=4 263 B14R2.739 Nc1ccc(c(c1)Cl)c2ncc[nH]2 271570a_100010211349_100025796157 [1,0,0,0,1,0|0,0,2]=4 264 B14R2.739 Nc1ccc(c(c1)Cl)c2ncc[nH]2 271570a_100016988920_100000761885 [1,0,0,0,1,0|0,0,2]=4 265 B14R2.5333 Clc1cccc(c1NC2CCC2)Cl 34a_100000210028_100000749161 [1,0,0,0,1,0|1,0,1]=4 266 B14R2.9066 Clc1cccc(c1C2=CCCC2)Cl 271570a_100000089523_100000034237 [1,0,0,0,1,0|2,0,0]=4 267 B14R2.9066 Clc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000034237 [1,0,0,0,1,0|0,0,2]=4 268 B14R2.3011 Cc1cc(c(c(c1)Cl)NC2CC2)Cl 34a_100011996032_100000211595 [0,0,0,0,2,0|1,0,1]=4 269 B14R2.3011 Clc1cc(c(c(c1)Cl)NC2CC2)Cl 34a_100000210601_100000211595 [0,0,0,0,2,0|1,0,1]=4 270 B14R2.3011 Clc1cc(cc(c1NC2CC2)Cl)Br 34a_100000211608_100000211595 [0,0,0,0,2,0|1,0,1]=4 271 B14R2.3011 Fc1cc(c(c(c1)Cl)NC2CC2)Cl 34a_100000688861_100000211595 [0,0,0,0,2,0|1,0,1]=4 272 B14R2.3011 Nc1cc(c(c(c1)Cl)OC2CC2)Cl 34a_100000695418_100000211595 [0,0,0,0,2,0|1,0,1]=4 273 B16R2.3000 Brc1ccc(c(c1)Br)NCC2=NCCN2 34a_100000211012_100000737910 [1,0,0,0,0,1|1,1,0]=4 274 B16R2.3000 Brc1ccc(c(c1)I)NCC2=NCCN2 34a_100000187925_100000737910 [1,0,0,0,0,1|1,1,0]=4 275 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)Br 34a_100000211769_100000737910 [1,0,0,0,0,1|2,0,0]=4 276 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)Br 7a_100000211769_100000737910 [1,0,0,0,0,1|2,0,0]=4 277 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)Cl 34a_100000210418_100000737910 [1,0,0,0,0,1|2,0,0]=4 278 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)Cl 7a_100000210418_100000737910 [1,0,0,0,0,1|2,0,0]=4 279 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)F 34a_100000211637_100000737910 [1,0,0,0,0,1|2,0,0]=4 280 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)F 7a_100000211637_100000737910 [1,0,0,0,0,1|2,0,0]=4 281 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)I 34a_100000184554_100000737910 [1,0,0,0,0,1|2,0,0]=4 282 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)I 7a_100000184554_100000737910 [1,0,0,0,0,1|2,0,0]=4 283 B16R2.3000 Cc1cc(ccc1NCC2=NCCN2)O 34a_100000756630_100000737910 [1,0,0,0,0,1|2,0,0]=4 284 B16R2.3000 Cc1cc(ccc1OCC2=NCCN2)N 34a_100011218179_100000737910 [1,0,0,0,0,1|2,0,0]=4 285 B16R2.3000 Cc1cc(ccc1OCC2=NCCN2)N 7a_100011218179_100000737910 [1,0,0,0,0,1|2,0,0]=4 286 B16R2.3000 Cc1cc(ccc1SCC2=NCCN2)N 62a_100000210723_100000737910 [1,0,0,0,0,1|2,0,0]=4 287 B16R2.3000 Cc1cc(ccc1SCC2=NCCN2)N 62a_100000737910_100000210723 [1,0,0,0,0,1|2,0,0]=4 288 B16R2.3000 Cc1ccc(c(c1)Br)NCC2=NCCN2 34a_100000210942_100000737910 [1,0,0,0,0,1|1,1,0]=4 289 B16R2.3000 Cc1ccc(c(c1)C)NCC2=NCCN2 34a_100000736561_100000737910 [1,0,0,0,0,1|2,0,0]=4 290 B16R2.3000 Cc1ccc(c(c1)C)NCC2=NCCN2 7a_100000736561_100000737910 [1,0,0,0,0,1|2,0,0]=4 291 B16R2.3000 Cc1ccc(c(c1)Cl)NCC2=NCCN2 34a_100000210522_100000737910 [1,0,0,0,0,1|1,0,0]=3 292 B16R2.3000 Cc1ccc(c(c1)Cl)OCC2=NCCN2 34a_100000749699_100000737910 [1,0,0,0,0,1|2,0,0]=4 293 B16R2.3000 Cc1ccc(c(c1)Cl)OCC2=NCCN2 7a_100000749699_100000737910 [1,0,0,0,0,1|2,0,0]=4 294 B16R2.3000 Cc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000737910_100011263221 [1,0,0,0,0,1|2,0,0]=4 295 B16R2.3000 Cc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100011263221_100000737910 [1,0,0,0,0,1|2,0,0]=4 296 B16R2.3000 Cc1ccc(c(c1)F)NCC2=NCCN2 34a_100000211023_100000737910 [1,0,0,0,0,1|1,1,0]=4 297 B16R2.3000 Cc1ccc(c(c1)I)NCC2=NCCN2 34a_100011356834_100000737910 [1,0,0,0,0,1|1,1,0]=4 298 B16R2.3000 Cc1ccc(c(c1)O)NCC2=NCCN2 34a_100000211527_100000737910 [1,0,0,0,0,1|2,0,0]=4 299 B16R2.3000 Clc1cc(ccc1NCC2=NCCN2)Br 34a_100000211467_100000737910 [1,0,0,0,0,1|1,0,0]=3 300 B16R2.3000 Clc1cc(ccc1NCC2=NCCN2)I 34a_100011218065_100000737910 [1,0,0,0,0,1|1,0,0]=3 301 B16R2.3000 Clc1cc(ccc1OCC2=NCCN2)Br 34a_100000186472_100000737910 [1,0,0,0,0,1|2,0,0]=4 302 B16R2.3000 Clc1cc(ccc1OCC2=NCCN2)Br 7a_100000186472_100000737910 [1,0,0,0,0,1|2,0,0]=4 303 B16R2.3000 Clc1cc(ccc1OCC2=NCCN2)I 34a_100012360047_100000737910 [1,0,0,0,0,1|2,0,0]=4 304 B16R2.3000 Clc1cc(ccc1OCC2=NCCN2)I 7a_100012360047_100000737910 [1,0,0,0,0,1|2,0,0]=4 305 B16R2.3000 Clc1cc(ccc1SCC2=NCCN2)Br 62a_100000737910_100011216062 [1,0,0,0,0,1|2,0,0]=4 306 B16R2.3000 Clc1cc(ccc1SCC2=NCCN2)Br 62a_100011216062_100000737910 [1,0,0,0,0,1|2,0,0]=4 307 B16R2.3000 Clc1ccc(c(c1)Br)NCC2=NCCN2 34a_100000752454_100000737910 [1,0,0,0,0,1|1,1,0]=4 308 B16R2.3000 Clc1ccc(c(c1)Cl)NCC2=NCCN2 34a_100000185861_100000737910 [1,0,0,0,0,1|1,0,0]=3 309 B16R2.3000 Clc1ccc(c(c1)Cl)OCC2=NCCN2 34a_100015191787_100000737910 [1,0,0,0,0,1|2,0,0]=4 310 B16R2.3000 Clc1ccc(c(c1)Cl)OCC2=NCCN2 7a_100015191787_100000737910 [1,0,0,0,0,1|2,0,0]=4 311 B16R2.3000 Clc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000699841_100000737910 [1,0,0,0,0,1|2,0,0]=4 312 B16R2.3000 Clc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000737910_100000699841 [1,0,0,0,0,1|2,0,0]=4 313 B16R2.3000 Clc1ccc(c(c1)I)NCC2=NCCN2 34a_100000761889_100000737910 [1,0,0,0,0,1|1,1,0]=4 314 B16R2.3000 Fc1cc(ccc1NCC2=NCCN2)Br 34a_100000210722_100000737910 [1,0,0,0,0,1|1,1,0]=4 315 B16R2.3000 Fc1cc(ccc1NCC2=NCCN2)Cl 34a_100000211020_100000737910 [1,0,0,0,0,1|1,1,0]=4 316 B16R2.3000 Fc1cc(ccc1NCC2=NCCN2)I 34a_100011215594_100000737910 [1,0,0,0,0,1|1,1,0]=4 317 B16R2.3000 Fc1ccc(c(c1)Br)NCC2=NCCN2 34a_100000738039_100000737910 [1,0,0,0,0,1|1,1,0]=4 318 B16R2.3000 Fc1ccc(c(c1)Cl)NCC2=NCCN2 34a_100000212003_100000737910 [1,0,0,0,0,1|1,0,0]=3 319 B16R2.3000 Fc1ccc(c(c1)Cl)OCC2=NCCN2 34a_100000212004_100000737910 [1,0,0,0,0,1|2,0,0]=4 320 B16R2.3000 Fc1ccc(c(c1)Cl)OCC2=NCCN2 7a_100000212004_100000737910 [1,0,0,0,0,1|2,0,0]=4 321 B16R2.3000 Fc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000733362_100000737910 [1,0,0,0,0,1|2,0,0]=4 322 B16R2.3000 Fc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000737910_100000733362 [1,0,0,0,0,1|2,0,0]=4 323 B16R2.3000 Fc1ccc(c(c1)F)NCC2=NCCN2 34a_100000210720_100000737910 [1,0,0,0,0,1|1,1,0]=4 324 B16R2.3000 Fc1ccc(c(c1)I)NCC2=NCCN2 34a_100000760547_100000737910 [1,0,0,0,0,1|1,1,0]=4 325 B16R2.3000 Nc1cc(c(cn1)SCC2=NCCN2)Cl 62a_100000694920_100000737910 [1,0,0,0,0,1|2,0,0]=4 326 B16R2.3000 Nc1cc(c(cn1)SCC2=NCCN2)Cl 62a_100000737910_100000694920 [1,0,0,0,0,1|2,0,0]=4 327 B16R2.3000 Nc1ccc(c(c1)Br)OCC2=NCCN2 34a_100011534360_100000737910 [1,0,0,0,0,1|1,1,0]=4 328 B16R2.3000 Nc1ccc(c(c1)Br)OCC2=NCCN2 7a_100011534360_100000737910 [1,0,0,0,0,1|1,1,0]=4 329 B16R2.3000 Nc1ccc(c(c1)Br)SCC2=NCCN2 62a_100000737910_100000750458 [1,0,0,0,0,1|1,1,0]=4 330 B16R2.3000 Nc1ccc(c(c1)Br)SCC2=NCCN2 62a_100000750458_100000737910 [1,0,0,0,0,1|1,1,0]=4 331 B16R2.3000 Nc1ccc(c(c1)Cl)OCC2=NCCN2 34a_100000744943_100000737910 [1,0,0,0,0,1|1,0,0]=3 332 B16R2.3000 Nc1ccc(c(c1)Cl)OCC2=NCCN2 7a_100000744943_100000737910 [1,0,0,0,0,1|1,0,0]=3 333 B16R2.3000 Nc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000737910_100000761885 [1,0,0,0,0,1|1,0,0]=3 334 B16R2.3000 Nc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000761885_100000737910 [1,0,0,0,0,1|1,0,0]=3 335 B16R2.3000 Nc1ccc(c(c1)F)OCC2=NCCN2 34a_100011220035_100000737910 [1,0,0,0,0,1|1,1,0]=4 336 B16R2.3000 Nc1ccc(c(c1)F)OCC2=NCCN2 7a_100011220035_100000737910 [1,0,0,0,0,1|1,1,0]=4 337 B16R2.3000 Nc1ccc(c(c1)F)SCC2=NCCN2 62a_100000737910_100011356925 [1,0,0,0,0,1|1,1,0]=4 338 B16R2.3000 Nc1ccc(c(c1)F)SCC2=NCCN2 62a_100011356925_100000737910 [1,0,0,0,0,1|1,1,0]=4 339 B16R2.3000 Nc1ccc(c(c1)N)OCC2=NCCN2 34a_100000725306_100000737910 [1,0,0,0,0,1|2,0,0]=4 340 B16R2.3000 Nc1ccc(c(c1)N)SCC2=NCCN2 62a_100000737910_200012175722 [1,0,0,0,0,1|2,0,0]=4 341 B16R2.3000 Nc1ccc(c(c1)N)SCC2=NCCN2 62a_200012175722_100000737910 [1,0,0,0,0,1|2,0,0]=4 342 B16R2.3000 Nc1ccc(c(n1)Cl)SCC2=NCCN2 62a_100000737910_100010270343 [1,0,0,0,0,1|2,0,0]=4 343 B16R2.3000 Nc1ccc(c(n1)Cl)SCC2=NCCN2 62a_100010270343_100000737910 [1,0,0,0,0,1|2,0,0]=4 344 B16R2.3000 Oc1cc(ccc1NCC2=NCCN2)Br 34a_100000739049_100000737910 [1,0,0,0,0,1|2,0,0]=4 345 B16R2.3000 Oc1cc(ccc1NCC2=NCCN2)Cl 34a_100000185728_100000737910 [1,0,0,0,0,1|2,0,0]=4 346 B16R2.3000 Oc1cc(ccc1NCC2=NCCN2)F 34a_100000753323_100000737910 [1,0,0,0,0,1|2,0,0]=4 347 B16R2.3000 Oc1ccc(c(c1)Br)NCC2=NCCN2 34a_100012001276_100000737910 [1,0,0,0,0,1|1,1,0]=4 348 B16R2.3000 Oc1ccc(c(c1)Cl)NCC2=NCCN2 34a_100011215599_100000737910 [1,0,0,0,0,1|1,0,0]=3 349 B16R2.3000 Oc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000047559_100000737910 [1,0,0,0,0,1|2,0,0]=4 350 B16R2.3000 Oc1ccc(c(c1)Cl)SCC2=NCCN2 62a_100000737910_100000047559 [1,0,0,0,0,1|2,0,0]=4 351 B16R2.3000 Oc1ccc(c(c1)F)NCC2=NCCN2 34a_100000759473_100000737910 [1,0,0,0,0,1|1,1,0]=4 352 B16R2.3000 Oc1ccc(c(c1)I)NCC2=NCCN2 34a_100010084370_100000737910 [1,0,0,0,0,1|1,1,0]=4 353 B16R2.3000 Oc1ccc(c(c1)O)NCC2=NCCN2 34a_100000106777_100000737910 [1,0,0,0,0,1|2,0,0]=4 354 B16R2.25778 Brc1cccc(c1NCC2=NCCN2)Br 34a_100000690995_100000737910 [1,0,0,0,0,1|0,2,0]=4 355 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Br 34a_100011834072_100000737910 [1,0,0,0,0,1|1,1,0]=4 356 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)C 34a_100000185769_100000737910 [1,0,0,0,0,1|2,0,0]=4 357 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Cl 34a_100000756524_100000737910 [1,0,0,0,0,1|1,0,0]=3 358 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)F 34a_100000766463_100000737910 [1,0,0,0,0,1|1,1,0]=4 359 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)O 34a_100000743429_100000737910 [1,0,0,0,0,1|2,0,0]=4 360 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 34a_100000033731_100000737910 [1,0,0,0,0,1|2,0,0]=4 361 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 7a_100000033731_100000737910 [1,0,0,0,0,1|2,0,0]=4 362 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000043165_100000737910 [1,0,0,0,0,1|2,0,0]=4 363 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000043165 [1,0,0,0,0,1|2,0,0]=4 364 B16R2.25778 Clc1cccc(c1NCC2=NCCN2)Br 34a_100102946385_100000737910 [1,0,0,0,0,1|0,1,0]=3 365 B16R2.25778 Clc1cccc(c1NCC2=NCCN2)Cl 34a_100000210028_100000737910 [1,0,0,0,0,1|0,0,0]=2 366 B16R2.25778 Clc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000210028_100016991755 [1,0,0,0,0,1|0,0,2]=4 367 B16R2.25778 Clc1cccc(c1NCc2nnn[nH]2)Cl 34a_100000210028_100000765167 [1,0,0,0,0,1|2,0,0]=4 368 B16R2.25778 Clc1cccc(c1NN=C2CCCC2)Cl 4a_100000688888_100000210133 [1,0,0,0,0,1|2,0,0]=4 369 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Br 34a_100010214474_100000737910 [1,0,0,0,0,1|1,1,0]=4 370 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Br 7a_100010214474_100000737910 [1,0,0,0,0,1|1,1,0]=4 371 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl 34a_100000211709_100000737910 [1,0,0,0,0,1|1,0,0]=3 372 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl 7a_100000211709_100000737910 [1,0,0,0,0,1|1,0,0]=3 373 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)I 34a_100010202889_100000737910 [1,0,0,0,0,1|1,1,0]=4 374 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)I 7a_100010202889_100000737910 [1,0,0,0,0,1|1,1,0]=4 375 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010214488 [1,0,0,0,0,1|1,1,0]=4 376 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Br 62a_100010214488_100000737910 [1,0,0,0,0,1|1,1,0]=4 377 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Cl 62a_100000034237_100000737910 [1,0,0,0,0,1|1,0,0]=3 378 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000034237 [1,0,0,0,0,1|1,0,0]=3 379 B16R2.25778 Clc1ccnc(c1OCC2=NCCN2)Cl 34a_100000118450_100000737910 [1,0,0,0,0,1|2,0,0]=4 380 B16R2.25778 Clc1ccnc(c1OCC2=NCCN2)Cl 7a_100000118450_100000737910 [1,0,0,0,0,1|2,0,0]=4 381 B16R2.25778 Clc1ccnc(c1SCC2=NCCN2)Cl 62a_100000050019_100000737910 [1,0,0,0,0,1|2,0,0]=4 382 B16R2.25778 Clc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050019 [1,0,0,0,0,1|2,0,0]=4 383 B16R2.25778 Clc1cncc(c1SCC2=NCCN2)Cl 62a_100000036193_100000737910 [1,0,0,0,0,1|2,0,0]=4 384 B16R2.25778 Clc1cncc(c1SCC2=NCCN2)Cl 62a_100000737910_100000036193 [1,0,0,0,0,1|2,0,0]=4 385 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)Br 34a_100000684712_100000737910 [1,0,0,0,0,1|0,2,0]=4 386 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)Cl 34a_100000760031_100000737910 [1,0,0,0,0,1|0,1,0]=3 387 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)F 34a_100000210704_100000737910 [1,0,0,0,0,1|0,2,0]=4 388 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)I 34a_100000042321_100000737910 [1,0,0,0,0,1|0,2,0]=4 389 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Cl 34a_100000694953_100000737910 [1,0,0,0,0,1|1,1,0]=4 390 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Cl 7a_100000694953_100000737910 [1,0,0,0,0,1|1,1,0]=4 391 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Cl 62a_100000050007_100000737910 [1,0,0,0,0,1|1,1,0]=4 392 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050007 [1,0,0,0,0,1|1,1,0]=4 393 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)Cl 34a_100000754742_100000737910 [1,0,0,0,0,1|2,0,0]=4 394 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Cl 62a_100000049713_100000737910 [1,0,0,0,0,1|2,0,0]=4 395 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000049713 [1,0,0,0,0,1|2,0,0]=4 396 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Br 34a_100011934926_100000737910 [1,0,0,0,0,1|1,1,0]=4 397 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Cl 34a_100012022510_100000737910 [1,0,0,0,0,1|1,0,0]=3 398 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)F 34a_100020591140_100000737910 [1,0,0,0,0,1|1,1,0]=4 399 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050174 [1,0,0,0,0,1|2,0,0]=4 400 B18R2.139357 Cc1cc(cc(c1CNCC2=NCCN2)Cl)Cl 34a_200000031571_100000737910 [0,0,0,0,0,2|2,0,0]=4 401 B18R2.139357 Clc1cc(c(c(c1)Cl)COCC2=NCCN2)Cl 34a_100000067030_100000737910 [0,0,0,0,0,2|2,0,0]=4 402 B18R2.139357 Clc1cc(c(c(c1)Cl)COCC2=NCCN2)Cl 7a_100000067030_100000737910 [0,0,0,0,0,2|2,0,0]=4 403 B18R2.139357 Clc1cc(c(c(c1)Cl)CSCC2=NCCN2)Cl 62a_100000737910_100012339996 [0,0,0,0,0,2|2,0,0]=4 404 B18R2.139357 Clc1cc(c(c(c1)Cl)CSCC2=NCCN2)Cl 62a_100012339996_100000737910 [0,0,0,0,0,2|2,0,0]=4 405 B18R2.139357 Clc1cc(cc(c1COCC2=NCCN2)Cl)Br 34a_100010009727_100000737910 [0,0,0,0,0,2|2,0,0]=4 406 B18R2.139357 Clc1cc(cc(c1COCC2=NCCN2)Cl)Br 7a_100010009727_100000737910 [0,0,0,0,0,2|2,0,0]=4 407 B18R2.139357 Clc1cc(cc(c1COCC2=NCCN2)Cl)I 7a_200011001976_100000737910 [0,0,0,0,0,2|2,0,0]=4