0 B15R2.15371 Cc1cccc(c1C=C2CCCC2)Cl 271570a_100010378317_100000043165 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.15371 Cc1cccc(c1NC2CCCC2)Cl 34a_100000756524_100000179811 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.15371 Cc1cccc(c1Nc2ncns2)Cl 27a_100000756524_100000693119 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.15371 Cc1cccc(c1Nc2nncs2)Cl 27a_100000756524_100000739804 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000043165_100025796157 [0,0,0,0,0,0|2,0,2]=4 5 B15R2.15371 Cc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000043165 [0,0,0,0,0,0|2,0,2]=4 6 B15R2.15371 Clc1cccc(c1C=C2CCCC2)Br 271570a_100010378317_100010214488 [0,0,0,0,0,0|3,1,0]=4 7 B15R2.15371 Clc1cccc(c1C=C2CCCC2)Cl 271570a_100010378317_100000034237 [0,0,0,0,0,0|3,0,0]=3 8 B15R2.15371 Clc1cccc(c1CN2CCCC2)Cl 2230a_100000188435_100000187851 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.15371 Clc1cccc(c1CN2CCCC2)Cl 269982a_100000188435_100000211241 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.15371 Clc1cccc(c1CN2CCCC2)Cl 26a_100000188435_100000211709 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.15371 Clc1cccc(c1CN2CCCC2)Cl 270004a_100000188435_100000189306 [0,0,0,0,0,0|4,0,0]=4 12 B15R2.15371 Clc1cccc(c1NC2CCCC2)Br 34a_100102946385_100000179811 [0,0,0,0,0,0|2,1,1]=4 13 B15R2.15371 Clc1cccc(c1NC2CCCC2)Cl 34a_100000210028_100000179811 [0,0,0,0,0,0|2,0,1]=3 14 B15R2.15371 Clc1cccc(c1NC2CCOC2)Cl 34a_100000210028_100000690089 [0,0,0,0,0,0|3,0,1]=4 15 B15R2.15371 Clc1cccc(c1Nc2ncns2)Cl 27a_100000210028_100000693119 [0,0,0,0,0,0|2,0,1]=3 16 B15R2.15371 Clc1cccc(c1Nc2ncns2)I 27a_100010190421_100000693119 [0,0,0,0,0,0|2,1,1]=4 17 B15R2.15371 Clc1cccc(c1Nc2nncs2)Cl 27a_100000210028_100000739804 [0,0,0,0,0,0|2,0,1]=3 18 B15R2.15371 Clc1cccc(c1Nc2nncs2)I 27a_100010190421_100000739804 [0,0,0,0,0,0|2,1,1]=4 19 B15R2.15371 Clc1cccc(c1OC2CCCC2)Cl 34a_100000211709_100000179811 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.15371 Clc1cccc(c1OC2CCCC2)Cl 7a_100000211709_100000179811 [0,0,0,0,0,0|3,0,1]=4 21 B15R2.15371 Clc1cccc(c1SC2CCCC2)Cl 62a_100000034237_100000179811 [0,0,0,0,0,0|3,0,1]=4 22 B15R2.15371 Clc1cccc(c1SC2CCCC2)Cl 62a_100011217020_100000034237 [0,0,0,0,0,0|3,0,1]=4 23 B15R2.15371 Clc1cccc(c1Sc2c[nH]cn2)Cl 62a_100000034237_100000756875 [0,0,0,0,0,0|3,0,1]=4 24 B15R2.15371 Clc1cccc(c1Sc2c[nH]cn2)Cl 62a_100000756875_100000034237 [0,0,0,0,0,0|3,0,1]=4 25 B15R2.15371 Clc1cccc(c1Sc2c[nH]nn2)Cl 62a_100000034237_100009819707 [0,0,0,0,0,0|4,0,0]=4 26 B15R2.15371 Clc1cccc(c1Sc2c[nH]nn2)Cl 62a_100009819707_100000034237 [0,0,0,0,0,0|4,0,0]=4 27 B15R2.15371 Clc1cccc(c1Sc2cc[nH]n2)Cl 62a_100000034237_100000062575 [0,0,0,0,0,0|3,0,1]=4 28 B15R2.15371 Clc1cccc(c1Sc2cc[nH]n2)Cl 62a_100000062575_100000034237 [0,0,0,0,0,0|3,0,1]=4 29 B15R2.15371 Clc1cccc(c1Sc2ccon2)Cl 62a_100000034237_100009818083 [0,0,0,0,0,0|3,0,1]=4 30 B15R2.15371 Clc1cccc(c1Sc2ccon2)Cl 62a_100009818083_100000034237 [0,0,0,0,0,0|3,0,1]=4 31 B15R2.15371 Clc1cccc(c1Sc2ccsn2)Cl 62a_100000034237_100009818082 [0,0,0,0,0,0|3,0,1]=4 32 B15R2.15371 Clc1cccc(c1Sc2ccsn2)Cl 62a_100009818082_100000034237 [0,0,0,0,0,0|3,0,1]=4 33 B15R2.15371 Clc1cccc(c1Sc2cscn2)Cl 62a_100000034237_100000751502 [0,0,0,0,0,0|3,0,1]=4 34 B15R2.15371 Clc1cccc(c1Sc2cscn2)Cl 62a_100000751502_100000034237 [0,0,0,0,0,0|3,0,1]=4 35 B15R2.15371 Clc1cccc(c1Sc2nc[nH]n2)Cl 62a_100000034237_100000761765 [0,0,0,0,0,0|2,0,2]=4 36 B15R2.15371 Clc1cccc(c1Sc2nc[nH]n2)Cl 62a_100000761765_100000034237 [0,0,0,0,0,0|2,0,2]=4 37 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Br 62a_100010214488_100025796157 [0,0,0,0,0,0|1,1,2]=4 38 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Br 62a_100025796157_100010214488 [0,0,0,0,0,0|1,1,2]=4 39 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000034237_100025796157 [0,0,0,0,0,0|1,0,2]=3 40 B15R2.15371 Clc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000034237 [0,0,0,0,0,0|1,0,2]=3 41 B15R2.15371 Clc1cccc(c1Sc2ncco2)Cl 62a_100000034237_100011787736 [0,0,0,0,0,0|2,0,2]=4 42 B15R2.15371 Clc1cccc(c1Sc2ncco2)Cl 62a_100011787736_100000034237 [0,0,0,0,0,0|2,0,2]=4 43 B15R2.15371 Clc1cccc(c1Sc2nccs2)Cl 62a_100000034237_100000211983 [0,0,0,0,0,0|2,0,2]=4 44 B15R2.15371 Clc1cccc(c1Sc2nccs2)Cl 62a_100000211983_100000034237 [0,0,0,0,0,0|2,0,2]=4 45 B15R2.15371 Clc1cccc(c1Sc2ncns2)Cl 62a_100000034237_100000693119 [0,0,0,0,0,0|3,0,1]=4 46 B15R2.15371 Clc1cccc(c1Sc2ncns2)Cl 62a_100000693119_100000034237 [0,0,0,0,0,0|3,0,1]=4 47 B15R2.15371 Clc1cccc(c1Sc2nncs2)Cl 62a_100000034237_100000739804 [0,0,0,0,0,0|3,0,1]=4 48 B15R2.15371 Clc1cccc(c1Sc2nncs2)Cl 62a_100000739804_100000034237 [0,0,0,0,0,0|3,0,1]=4 49 B15R2.15371 Clc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100000050019_100025796157 [0,0,0,0,0,0|2,0,2]=4 50 B15R2.15371 Clc1ccnc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000050019 [0,0,0,0,0,0|2,0,2]=4 51 B15R2.15371 Clc1cncc(c1C=C2CCCC2)Cl 271570a_100010378317_100000036193 [0,0,0,0,0,0|4,0,0]=4 52 B15R2.15371 Clc1cncc(c1Sc2ncc[nH]2)Cl 62a_100000036193_100025796157 [0,0,0,0,0,0|2,0,2]=4 53 B15R2.15371 Clc1cncc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000036193 [0,0,0,0,0,0|2,0,2]=4 54 B15R2.15371 Fc1cccc(c1C=C2CCCC2)Cl 271570a_100010378317_100000050007 [0,0,0,0,0,0|3,1,0]=4 55 B15R2.15371 Fc1cccc(c1NC2CCCC2)Cl 34a_100000760031_100000179811 [0,0,0,0,0,0|2,1,1]=4 56 B15R2.15371 Fc1cccc(c1Nc2ncns2)Cl 27a_100000760031_100000693119 [0,0,0,0,0,0|2,1,1]=4 57 B15R2.15371 Fc1cccc(c1Nc2nncs2)Cl 27a_100000760031_100000739804 [0,0,0,0,0,0|2,1,1]=4 58 B15R2.15371 Fc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000050007_100025796157 [0,0,0,0,0,0|1,1,2]=4 59 B15R2.15371 Fc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000050007 [0,0,0,0,0,0|1,1,2]=4 60 B15R2.15371 Nc1cccc(c1C=C2CCCC2)Cl 271570a_100010378317_100000049713 [0,0,0,0,0,0|4,0,0]=4 61 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)Cl 62a_100000049713_100025796157 [0,0,0,0,0,0|2,0,2]=4 62 B15R2.15371 Nc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000049713 [0,0,0,0,0,0|2,0,2]=4 63 B15R2.15371 Oc1cccc(c1C=C2CCCC2)Cl 271570a_100010378317_100000050174 [0,0,0,0,0,0|4,0,0]=4 64 B15R2.15371 Oc1cccc(c1NC2CCCC2)Cl 34a_100012022510_100000179811 [0,0,0,0,0,0|3,0,1]=4 65 B15R2.15371 Oc1cccc(c1Sc2ncc[nH]2)Cl 62a_100025796157_100000050174 [0,0,0,0,0,0|2,0,2]=4 66 B14R2.50 Clc1ccccc1C=C2CCCC2 271570a_100010378317_100000764095 [1,0,0,0,0,0|3,0,0]=4 67 B14R2.50 Clc1ccccc1NC2CCCC2 34a_100000185783_100000179811 [1,0,0,0,0,0|2,0,1]=4 68 B14R2.50 Clc1ccccc1Nc2ncns2 27a_100000185783_100000693119 [1,0,0,0,0,0|2,0,1]=4 69 B14R2.50 Clc1ccccc1Nc2nncs2 27a_100000185783_100000739804 [1,0,0,0,0,0|2,0,1]=4 70 B14R2.50 Clc1ccccc1Sc2ncc[nH]2 62a_100000764095_100025796157 [1,0,0,0,0,0|1,0,2]=4 71 B14R2.50 Clc1ccccc1Sc2ncc[nH]2 62a_100025796157_100000764095 [1,0,0,0,0,0|1,0,2]=4 72 B16R2.6175 Cc1cc(c(c(c1)Cl)NC2CCCC2)Cl 34a_100011996032_100000179811 [0,1,0,0,0,0|2,0,1]=4 73 B16R2.6175 Clc1cc(c(c(c1)Cl)C=C2CCCC2)Cl 271570a_100010378317_200011216440 [0,1,0,0,0,0|3,0,0]=4 74 B16R2.6175 Clc1cc(c(c(c1)Cl)NC2CCCC2)Cl 34a_100000210601_100000179811 [0,1,0,0,0,0|2,0,1]=4 75 B16R2.6175 Clc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100025796157_200011216440 [0,1,0,0,0,0|1,0,2]=4 76 B16R2.6175 Clc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_200011216440_100025796157 [0,1,0,0,0,0|1,0,2]=4 77 B16R2.6175 Clc1cc(cc(c1C=C2CCCC2)Cl)Br 271570a_100010378317_200011263224 [0,1,0,0,0,0|3,0,0]=4 78 B16R2.6175 Clc1cc(cc(c1NC2CCCC2)Cl)Br 34a_100000211608_100000179811 [0,1,0,0,0,0|2,0,1]=4 79 B16R2.6175 Clc1cc(cc(c1Sc2ncc[nH]2)Cl)Br 62a_100025796157_200011263224 [0,1,0,0,0,0|1,0,2]=4 80 B16R2.6175 Clc1cc(cc(c1Sc2ncc[nH]2)Cl)Br 62a_200011263224_100025796157 [0,1,0,0,0,0|1,0,2]=4 81 B16R2.6175 Fc1cc(c(c(c1)Cl)C=C2CCCC2)Cl 271570a_100010378317_100010175091 [0,1,0,0,0,0|3,0,0]=4 82 B16R2.6175 Fc1cc(c(c(c1)Cl)NC2CCCC2)Cl 34a_100000688861_100000179811 [0,1,0,0,0,0|2,0,1]=4 83 B16R2.6175 Fc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100010175091_100025796157 [0,1,0,0,0,0|1,0,2]=4 84 B16R2.6175 Fc1cc(c(c(c1)Cl)Sc2ncc[nH]2)Cl 62a_100025796157_100010175091 [0,1,0,0,0,0|1,0,2]=4 85 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)Cl 62a_100000034237_100161115468 [0,1,0,0,0,0|1,0,2]=4 86 B16R2.11484 Cc1c[nH]c(n1)Sc2c(cccc2Cl)Cl 62a_100161115468_100000034237 [0,1,0,0,0,0|1,0,2]=4 87 B16R2.11484 Cc1nc(no1)Nc2c(cccc2Cl)Cl 27a_100000210028_100012003639 [0,1,0,0,0,0|1,0,2]=4 88 B16R2.11484 Cc1nnc(o1)Nc2c(cccc2Cl)Cl 27a_100000210028_100000708914 [0,1,0,0,0,0|2,0,1]=4 89 B16R2.11484 Cc1nnc(s1)Nc2c(cccc2Cl)Cl 27a_100000210028_100000686958 [0,1,0,0,0,0|2,0,1]=4 90 B16R2.11484 Cc1nsc(n1)Nc2c(cccc2Cl)Cl 27a_100000210028_100000709739 [0,1,0,0,0,0|2,0,1]=4 91 B16R2.11484 Nc1nnc(s1)Nc2c(cccc2Cl)Cl 27a_100000210028_100000738278 [0,1,0,0,0,0|2,0,1]=4 92 B16R2.14153 Cc1cccc(c1Nc2ncnn2C)Cl 27a_100000756524_100000732653 [0,1,0,0,0,0|2,0,1]=4 93 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)Cl 62a_100000034237_100000707724 [0,1,0,0,0,0|1,0,2]=4 94 B16R2.14153 Cn1ccnc1Sc2c(cccc2Cl)Cl 62a_100000707724_100000034237 [0,1,0,0,0,0|1,0,2]=4 95 B16R2.14153 Cn1ncnc1Nc2c(cccc2Cl)Cl 27a_100000210028_100000732653 [0,1,0,0,0,0|1,0,1]=3 96 B16R2.14153 Cn1ncnc1Nc2c(cccc2Cl)F 27a_100000760031_100000732653 [0,1,0,0,0,0|1,1,1]=4 97 B16R2.14153 Cn1ncnc1Nc2c(cccc2I)Cl 27a_100010190421_100000732653 [0,1,0,0,0,0|1,1,1]=4 98 B16R2.14153 Cn1ncnc1Sc2c(cccc2Cl)Cl 62a_100000034237_100000732653 [0,1,0,0,0,0|2,0,1]=4 99 B16R2.14153 Cn1ncnc1Sc2c(cccc2Cl)Cl 62a_100000732653_100000034237 [0,1,0,0,0,0|2,0,1]=4 100 B16R2.14153 O=C1CCCC1Nc2c(cccc2Cl)Cl 34a_100000210028_100000709159 [0,1,0,0,0,0|2,0,1]=4 101 B16R2.25684 CN(c1c(cccc1Cl)Cl)C2CCCC2 269982a_100000691019_100000179811 [0,1,0,0,0,0|2,0,1]=4 102 B16R2.25684 CN(c1c(cccc1Cl)Cl)C2CCCC2 34a_100000691019_100000179811 [0,1,0,0,0,0|2,0,1]=4 103 B16R2.25684 CN(c1ncns1)c2c(cccc2Cl)Cl 27a_100000691019_100000693119 [0,1,0,0,0,0|2,0,1]=4 104 B16R2.25684 CN(c1nncs1)c2c(cccc2Cl)Cl 27a_100000691019_100000739804 [0,1,0,0,0,0|2,0,1]=4 105 B16R2.26187 Cc1ccc(c(c1Cl)NC2CCCC2)Cl 34a_100000210993_100000179811 [0,1,0,0,0,0|2,0,1]=4 106 B16R2.26187 Cc1ccc(c(c1Cl)Nc2ncns2)Cl 27a_100000210993_100000693119 [0,1,0,0,0,0|2,0,1]=4 107 B16R2.26187 Cc1ccc(c(c1Cl)Nc2nncs2)Cl 27a_100000210993_100000739804 [0,1,0,0,0,0|2,0,1]=4 108 B16R2.26187 Clc1ccc(c(c1Cl)C=C2CCCC2)Cl 271570a_100010378317_200010170825 [0,1,0,0,0,0|3,0,0]=4 109 B16R2.26187 Clc1ccc(c(c1Cl)NC2CCCC2)Cl 34a_103437851083_100000179811 [0,1,0,0,0,0|2,0,1]=4 110 B16R2.26187 Clc1ccc(c(c1Cl)Nc2ncns2)Cl 27a_103437851083_100000693119 [0,1,0,0,0,0|2,0,1]=4 111 B16R2.26187 Clc1ccc(c(c1Cl)Nc2nncs2)Cl 27a_103437851083_100000739804 [0,1,0,0,0,0|2,0,1]=4 112 B16R2.26187 Clc1ccc(c(c1Cl)Sc2ncc[nH]2)Cl 62a_100025796157_200010170825 [0,1,0,0,0,0|1,0,2]=4 113 B16R2.26187 Clc1ccc(c(c1Cl)Sc2ncc[nH]2)Cl 62a_200010170825_100025796157 [0,1,0,0,0,0|1,0,2]=4 114 B16R2.26187 Oc1ccc(c(c1Cl)NC2CCCC2)Cl 34a_100016988457_100000179811 [0,1,0,0,0,0|2,0,1]=4 115 B16R2.26187 Oc1ccc(c(c1Cl)NC2CCCC2)Cl 7a_100016988457_100000179811 [0,1,0,0,0,0|2,0,1]=4 116 B16R2.26187 Oc1ccc(c(c1Cl)Nc2ncns2)Cl 27a_100016988457_100000693119 [0,1,0,0,0,0|2,0,1]=4 117 B16R2.26187 Oc1ccc(c(c1Cl)Nc2nncs2)Cl 27a_100016988457_100000739804 [0,1,0,0,0,0|2,0,1]=4 118 B14R1.19171 CC=CC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000210699 [0,0,1,0,0,0|2,0,1]=4 119 B14R1.19171 CC=CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000210699 [0,0,1,0,0,0|2,0,1]=4 120 B14R1.19171 CCCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_100000210303 [0,0,1,0,0,0|3,0,0]=4 121 B14R1.19171 CCCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211992_100000187851 [0,0,1,0,0,0|3,0,0]=4 122 B14R1.19171 CCCC(=O)Nc1c(cccc1Br)Cl 11a_100102946385_100000211992 [0,0,1,0,0,0|2,1,0]=4 123 B14R1.19171 CCCC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100000211992 [0,0,1,0,0,0|2,1,0]=4 124 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100000211992 [0,0,1,0,0,0|3,0,0]=4 125 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100000211992 [0,0,1,0,0,0|3,0,0]=4 126 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000211992 [0,0,1,0,0,0|2,0,0]=3 127 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000211992 [0,0,1,0,0,0|2,0,0]=3 128 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100000211992 [0,0,1,0,0,0|2,1,0]=4 129 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100000211992 [0,0,1,0,0,0|2,1,0]=4 130 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000211992 [0,0,1,0,0,0|3,0,0]=4 131 B14R1.19171 CCCC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100000211992 [0,0,1,0,0,0|3,0,0]=4 132 B14R1.19171 CCCC(=O)Nc1c(cccc1I)Cl 11a_100010190421_100000211992 [0,0,1,0,0,0|2,1,0]=4 133 B14R1.19171 CCCC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100000211992 [0,0,1,0,0,0|2,1,0]=4 134 B14R1.19171 CCCC(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100000766640 [0,0,1,0,0,0|2,0,1]=4 135 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Cl 11a_100015525214_100013084675 [0,0,1,0,0,0|2,1,0]=4 136 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Cl 240690a_100015525214_100013084675 [0,0,1,0,0,0|2,1,0]=4 137 B14R1.19171 CCNC(=O)Cc1c(cccc1Br)Cl 527a_100015525214_100013084675 [0,0,1,0,0,0|2,1,0]=4 138 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 11a_100015525214_100000211232 [0,0,1,0,0,0|2,0,0]=3 139 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 240690a_100015525214_100000211232 [0,0,1,0,0,0|2,0,0]=3 140 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)Cl 527a_100015525214_100000211232 [0,0,1,0,0,0|2,0,0]=3 141 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)F 11a_100015525214_100000185183 [0,0,1,0,0,0|2,1,0]=4 142 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)F 240690a_100015525214_100000185183 [0,0,1,0,0,0|2,1,0]=4 143 B14R1.19171 CCNC(=O)Cc1c(cccc1Cl)F 527a_100015525214_100000185183 [0,0,1,0,0,0|2,1,0]=4 144 B14R1.19171 CCNC(=O)Nc1c(cccc1Br)C 2430a_100011834072_100015525214 [0,0,1,0,0,0|2,1,0]=4 145 B14R1.19171 CCNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100015525214 [0,0,1,0,0,0|1,1,0]=3 146 B14R1.19171 CCNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100015525214 [0,0,1,0,0,0|3,0,0]=4 147 B14R1.19171 CCNC(=O)Nc1c(cccc1C)C 512a_100015525214_100000185769 [0,0,1,0,0,0|3,0,0]=4 148 B14R1.19171 CCNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100015525214 [0,0,1,0,0,0|2,0,0]=3 149 B14R1.19171 CCNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100015525214 [0,0,1,0,0,0|1,1,0]=3 150 B14R1.19171 CCNC(=O)Nc1c(cccc1F)C 2430a_100000766463_100015525214 [0,0,1,0,0,0|2,1,0]=4 151 B14R1.19171 CCNC(=O)Nc1c(cccc1F)F 2430a_100000210704_100015525214 [0,0,1,0,0,0|1,2,0]=4 152 B14R1.19171 CCNC(=O)Nc1c(cccc1F)O 2430a_100020591140_100015525214 [0,0,1,0,0,0|2,1,0]=4 153 B14R1.19171 CCNC(=O)Nc1c(cccc1I)Br 512a_100010146558_100015525214 [0,0,1,0,0,0|1,2,0]=4 154 B14R1.19171 CCNC(=O)Nc1c(cccc1I)F 2430a_100000042321_100015525214 [0,0,1,0,0,0|1,2,0]=4 155 B14R1.19171 CCNC(=O)Nc1c(cccc1O)C 2430a_100000743429_100015525214 [0,0,1,0,0,0|3,0,0]=4 156 B14R1.19171 CCNC(C)Cc1c(cccc1Cl)Cl 270004a_100015525214_100000692661 [0,0,1,0,0,0|2,0,1]=4 157 B14R1.19171 CNCC(=O)Nc1c(cccc1Cl)Cl 2230a_106832991635_100000182350 [0,0,1,0,0,0|3,0,0]=4 158 B14R1.19171 CNCC(=O)Nc1c(cccc1Cl)Cl 7a_106832991635_100000182350 [0,0,1,0,0,0|3,0,0]=4 159 B14R1.19171 CNNC(=O)Cc1c(cccc1Cl)Cl 22a_100016993582_100000211232 [0,0,1,0,0,0|3,0,0]=4 160 B14R1.19171 COCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000210968 [0,0,1,0,0,0|3,0,0]=4 161 B14R1.19171 COCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000210968 [0,0,1,0,0,0|3,0,0]=4 162 B14R1.19171 CSCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000184570 [0,0,1,0,0,0|3,0,0]=4 163 B14R1.19171 CSCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000184570 [0,0,1,0,0,0|3,0,0]=4 164 B14R1.19171 CSCC(=O)Nc1c(cccc1Cl)Cl 62a_200000210301_100000182350 [0,0,1,0,0,0|3,0,0]=4 165 B14R1.19171 [13CH3]SCC(=O)Nc1c(cccc1Cl)Cl 62a_200025704644_100000182350 [0,0,1,0,0,0|3,0,0]=4 166 B14R1.20339 CCCC=NNc1c(cccc1Cl)Cl 4a_100000688888_100000185831 [0,0,1,0,0,0|3,0,0]=4 167 B14R1.20339 CCCCC=Cc1c(cccc1Cl)Cl 271570a_100016275911_100000034237 [0,0,1,0,0,0|3,0,0]=4 168 B14R1.20339 CCCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000718602 [0,0,1,0,0,0|2,0,1]=4 169 B14R1.20339 CCCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100000210303 [0,0,1,0,0,0|2,0,1]=4 170 B14R1.20339 CCCNCCc1c(cccc1Cl)Cl 34a_100032004868_100000210303 [0,0,1,0,0,0|2,0,1]=4 171 B14R1.20339 CCCNN=Cc1c(cccc1Cl)Cl 4a_100000740057_100000189306 [0,0,1,0,0,0|3,0,0]=4 172 B14R1.20339 FCCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000729493 [0,0,1,0,0,0|2,0,1]=4 173 B14R1.20339 FCCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100011217306 [0,0,1,0,0,0|2,0,1]=4 174 B14R1.20339 FCCNCCc1c(cccc1Cl)Cl 34a_100000724931_100012161200 [0,0,1,0,0,0|2,0,1]=4 175 B14R1.20339 FCCNCCc1c(cccc1Cl)Cl 34a_100032004868_100011217306 [0,0,1,0,0,0|2,0,1]=4 176 B14R1.20339 NCCCOCc1c(cccc1Cl)Cl 34a_100000182051_100000187851 [0,0,1,0,0,0|3,0,0]=4 177 B14R1.20339 NCCOCCc1c(cccc1Cl)Cl 34a_100000210304_100012161200 [0,0,1,0,0,0|2,0,1]=4 178 B14R1.20339 OCCCCNc1c(cccc1Cl)Cl 34a_100000210028_100011216708 [0,0,1,0,0,0|2,0,1]=4 179 B14R1.20339 OCCNCCc1c(cccc1Cl)Cl 2230a_100016997473_100012161200 [0,0,1,0,0,0|2,0,1]=4 180 B14R1.20339 OCCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100000211926 [0,0,1,0,0,0|2,0,1]=4 181 B14R1.20339 OCCNCCc1c(cccc1Cl)Cl 34a_100016990907_100012161200 [0,0,1,0,0,0|2,0,1]=4 182 B14R1.20339 OCCNCCc1c(cccc1Cl)Cl 34a_100032004868_100000211926 [0,0,1,0,0,0|2,0,1]=4 183 B14R1.20339 OCCNN=Cc1c(cccc1Cl)Cl 4a_100000210001_100000189306 [0,0,1,0,0,0|3,0,0]=4 184 B14R2.5333 Cc1cccc(c1NC2CCC2)Cl 34a_100000756524_100000749161 [0,0,0,0,1,0|2,0,1]=4 185 B14R2.5333 Clc1cccc(c1CN2CCC2)Cl 269982a_100000754969_100000211241 [0,0,0,0,1,0|3,0,0]=4 186 B14R2.5333 Clc1cccc(c1CN2CCC2)Cl 26a_100000754969_100000211709 [0,0,0,0,1,0|3,0,0]=4 187 B14R2.5333 Clc1cccc(c1NC2CCC2)Br 34a_100102946385_100000749161 [0,0,0,0,1,0|1,1,1]=4 188 B14R2.5333 Clc1cccc(c1NC2CCC2)Cl 34a_100000210028_100000749161 [0,0,0,0,1,0|1,0,1]=3 189 B14R2.5333 Clc1cccc(c1NC2COC2)Cl 34a_100000210028_100009818527 [0,0,0,0,1,0|2,0,1]=4 190 B14R2.5333 Clc1cccc(c1OC2CCC2)Cl 34a_100000211709_100000749161 [0,0,0,0,1,0|2,0,1]=4 191 B14R2.5333 Clc1cccc(c1SC2CCC2)Cl 62a_100000034237_100000749161 [0,0,0,0,1,0|2,0,1]=4 192 B14R2.5333 Fc1cccc(c1NC2CCC2)Cl 34a_100000760031_100000749161 [0,0,0,0,1,0|1,1,1]=4 193 B14R2.5333 Oc1cccc(c1NC2CCC2)Cl 34a_100012022510_100000749161 [0,0,0,0,1,0|2,0,1]=4 194 B14R2.9066 Cc1cccc(c1C2=CCCC2)Cl 271570a_100000089523_100000043165 [0,0,0,0,1,0|3,0,0]=4 195 B14R2.9066 Cc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000043165 [0,0,0,0,1,0|1,0,2]=4 196 B14R2.9066 Clc1cccc(c1C2=CCCC2)Br 271570a_100000089523_100010214488 [0,0,0,0,1,0|2,1,0]=4 197 B14R2.9066 Clc1cccc(c1C2=CCCC2)Cl 271570a_100000089523_100000034237 [0,0,0,0,1,0|2,0,0]=3 198 B14R2.9066 Clc1cccc(c1C2=CCOC2)Cl 271570a_100009872500_100000034237 [0,0,0,0,1,0|3,0,0]=4 199 B14R2.9066 Clc1cccc(c1C2=COCC2)Cl 271570a_100000118173_100000034237 [0,0,0,0,1,0|3,0,0]=4 200 B14R2.9066 Clc1cccc(c1c2cc[nH]n2)Cl 271570a_100000062414_100000034237 [0,0,0,0,1,0|2,0,1]=4 201 B14R2.9066 Clc1cccc(c1c2ncc[nH]2)Br 271570a_100016988920_100010214488 [0,0,0,0,1,0|0,1,2]=4 202 B14R2.9066 Clc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000034237 [0,0,0,0,1,0|0,0,2]=3 203 B14R2.9066 Clc1cncc(c1C2=CCCC2)Cl 271570a_100000089523_100000036193 [0,0,0,0,1,0|3,0,0]=4 204 B14R2.9066 Clc1cncc(c1c2ncc[nH]2)Cl 271570a_100010140905_100025796157 [0,0,0,0,1,0|1,0,2]=4 205 B14R2.9066 Clc1cncc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000036193 [0,0,0,0,1,0|1,0,2]=4 206 B14R2.9066 Fc1cccc(c1C2=CCCC2)Cl 271570a_100000089523_100000050007 [0,0,0,0,1,0|2,1,0]=4 207 B14R2.9066 Fc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000050007 [0,0,0,0,1,0|0,1,2]=4 208 B14R2.9066 Nc1cccc(c1C2=CCCC2)Cl 271570a_100000089523_100000049713 [0,0,0,0,1,0|3,0,0]=4 209 B14R2.9066 Nc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000049713 [0,0,0,0,1,0|1,0,2]=4 210 B14R2.9066 Oc1cccc(c1C2=CCCC2)Cl 271570a_100000089523_100000050174 [0,0,0,0,1,0|3,0,0]=4 211 B14R2.9066 Oc1cccc(c1c2ncc[nH]2)Cl 271570a_100016988920_100000050174 [0,0,0,0,1,0|1,0,2]=4 212 B16R2.3259 Clc1cccc(c1NC2CCCCC2)Cl 34a_100000210028_100000210327 [0,0,0,0,0,1|2,0,1]=4 213 B16R2.3259 Clc1cccc(c1NC2CCCOC2)Cl 34a_100000210028_100000693364 [0,0,0,0,0,1|2,0,1]=4 214 B16R2.3259 Clc1cccc(c1NC2CCSCC2)Cl 34a_100000210028_100000069128 [0,0,0,0,0,1|2,0,1]=4 215 B16R2.3259 Clc1cccc(c1Nc2cccnn2)Cl 27a_100000210028_100016991348 [0,0,0,0,0,1|1,0,2]=4 216 B16R2.3259 Clc1cccc(c1Nc2ccncn2)Cl 27a_100000210028_100000703185 [0,0,0,0,0,1|1,0,2]=4 217 B16R2.3259 Clc1cccc(c1Nc2cnccn2)Cl 27a_100000210028_100000211759 [0,0,0,0,0,1|0,0,3]=4 218 B16R2.3259 Clc1cccc(c1Nc2ncccn2)Cl 27a_100000210028_100000211032 [0,0,0,0,0,1|0,0,3]=4 219 B16R2.25778 Brc1cccc(c1NCC2=NCCN2)Br 34a_100000690995_100000737910 [0,0,0,0,0,1|0,2,0]=3 220 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)Br 34a_100000736428_100000737910 [0,0,0,0,0,1|1,2,0]=4 221 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)Br 7a_100000736428_100000737910 [0,0,0,0,0,1|1,2,0]=4 222 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)I 34a_100010084509_100000737910 [0,0,0,0,0,1|1,2,0]=4 223 B16R2.25778 Brc1cccc(c1OCC2=NCCN2)I 7a_100010084509_100000737910 [0,0,0,0,0,1|1,2,0]=4 224 B16R2.25778 Brc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100009994525 [0,0,0,0,0,1|1,2,0]=4 225 B16R2.25778 Brc1cccc(c1SCC2=NCCN2)Br 62a_100009994525_100000737910 [0,0,0,0,0,1|1,2,0]=4 226 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Br 34a_100011834072_100000737910 [0,0,0,0,0,1|1,1,0]=3 227 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)C 34a_100000185769_100000737910 [0,0,0,0,0,1|2,0,0]=3 228 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Cl 34a_100000756524_100000737910 [0,0,0,0,0,1|1,0,0]=2 229 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)F 34a_100000766463_100000737910 [0,0,0,0,0,1|1,1,0]=3 230 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)O 34a_100000743429_100000737910 [0,0,0,0,0,1|2,0,0]=3 231 B16R2.25778 Cc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000756524_100016991755 [0,0,0,0,0,1|1,0,2]=4 232 B16R2.25778 Cc1cccc(c1NCc2nnn[nH]2)Cl 34a_100000756524_100000765167 [0,0,0,0,0,1|3,0,0]=4 233 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Br 34a_100009817157_100000737910 [0,0,0,0,0,1|2,1,0]=4 234 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Br 7a_100009817157_100000737910 [0,0,0,0,0,1|2,1,0]=4 235 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 34a_100000210341_100000737910 [0,0,0,0,0,1|3,0,0]=4 236 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 7a_100000210341_100000737910 [0,0,0,0,0,1|3,0,0]=4 237 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 34a_100000033731_100000737910 [0,0,0,0,0,1|2,0,0]=3 238 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)Cl 7a_100000033731_100000737910 [0,0,0,0,0,1|2,0,0]=3 239 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)F 34a_100011659162_100000737910 [0,0,0,0,0,1|2,1,0]=4 240 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)F 7a_100011659162_100000737910 [0,0,0,0,0,1|2,1,0]=4 241 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)N 34a_100000756359_100000737910 [0,0,0,0,0,1|3,0,0]=4 242 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)N 7a_100000756359_100000737910 [0,0,0,0,0,1|3,0,0]=4 243 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010141302 [0,0,0,0,0,1|2,1,0]=4 244 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Br 62a_100010141302_100000737910 [0,0,0,0,0,1|2,1,0]=4 245 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000033847_100000737910 [0,0,0,0,0,1|3,0,0]=4 246 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000033847 [0,0,0,0,0,1|3,0,0]=4 247 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000043165_100000737910 [0,0,0,0,0,1|2,0,0]=3 248 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000043165 [0,0,0,0,0,1|2,0,0]=3 249 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100011218421 [0,0,0,0,0,1|2,1,0]=4 250 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)F 62a_100011218421_100000737910 [0,0,0,0,0,1|2,1,0]=4 251 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)N 62a_100000684715_100000737910 [0,0,0,0,0,1|3,0,0]=4 252 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)N 62a_100000737910_100000684715 [0,0,0,0,0,1|3,0,0]=4 253 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000686692_100000737910 [0,0,0,0,0,1|3,0,0]=4 254 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100000686692 [0,0,0,0,0,1|3,0,0]=4 255 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)Cl 34a_100000696282_100000737910 [0,0,0,0,0,1|3,0,0]=4 256 B16R2.25778 Cc1ccnc(c1OCC2=NCCN2)Cl 7a_100000696282_100000737910 [0,0,0,0,0,1|3,0,0]=4 257 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100010248874 [0,0,0,0,0,1|3,0,0]=4 258 B16R2.25778 Cc1ccnc(c1SCC2=NCCN2)Cl 62a_100010248874_100000737910 [0,0,0,0,0,1|3,0,0]=4 259 B16R2.25778 Clc1cccc(c1CNC2CCCC2)Cl 207a_100000211070_100000189306 [0,0,0,0,0,1|2,0,1]=4 260 B16R2.25778 Clc1cccc(c1CNC2CCCC2)Cl 2230a_100000174884_100000179811 [0,0,0,0,0,1|2,0,1]=4 261 B16R2.25778 Clc1cccc(c1CNC2CCCC2)Cl 2230a_100000211070_100000187851 [0,0,0,0,0,1|2,0,1]=4 262 B16R2.25778 Clc1cccc(c1CNC2CCCC2)Cl 270004a_100000174884_100000210133 [0,0,0,0,0,1|2,0,1]=4 263 B16R2.25778 Clc1cccc(c1CNC2CCCC2)Cl 270004a_100000211070_100000189306 [0,0,0,0,0,1|2,0,1]=4 264 B16R2.25778 Clc1cccc(c1CNC2CCCC2)Cl 34a_100000174884_100000179811 [0,0,0,0,0,1|2,0,1]=4 265 B16R2.25778 Clc1cccc(c1CNC2CCCC2)Cl 34a_100000211070_100000187851 [0,0,0,0,0,1|2,0,1]=4 266 B16R2.25778 Clc1cccc(c1CNc2ncns2)Cl 27a_100000174884_100000693119 [0,0,0,0,0,1|2,0,1]=4 267 B16R2.25778 Clc1cccc(c1CNc2nncs2)Cl 27a_100000174884_100000739804 [0,0,0,0,0,1|2,0,1]=4 268 B16R2.25778 Clc1cccc(c1CSc2ncc[nH]2)Cl 62a_100000187851_100025796157 [0,0,0,0,0,1|1,0,2]=4 269 B16R2.25778 Clc1cccc(c1CSc2ncc[nH]2)Cl 62a_100025796157_100000187851 [0,0,0,0,0,1|1,0,2]=4 270 B16R2.25778 Clc1cccc(c1NCC2=NCCN2)Br 34a_100102946385_100000737910 [0,0,0,0,0,1|0,1,0]=2 271 B16R2.25778 Clc1cccc(c1NCC2=NCCN2)Cl 34a_100000210028_100000737910 [0,0,0,0,0,1|0,0,0]=1 272 B16R2.25778 Clc1cccc(c1NCC2CCCC2)Cl 34a_100000210028_100000740388 [0,0,0,0,0,1|2,0,1]=4 273 B16R2.25778 Clc1cccc(c1NCC2OCCO2)Cl 34a_100000210028_100000755774 [0,0,0,0,0,1|2,0,1]=4 274 B16R2.25778 Clc1cccc(c1NCc2c[nH]cn2)Cl 34a_100000210028_100000707719 [0,0,0,0,0,1|2,0,1]=4 275 B16R2.25778 Clc1cccc(c1NCc2ccn[nH]2)Cl 34a_100000210028_100000728653 [0,0,0,0,0,1|2,0,1]=4 276 B16R2.25778 Clc1cccc(c1NCc2ccon2)Cl 34a_100000210028_100000234950 [0,0,0,0,0,1|2,0,1]=4 277 B16R2.25778 Clc1cccc(c1NCc2cscn2)Cl 34a_100000210028_100000205941 [0,0,0,0,0,1|2,0,1]=4 278 B16R2.25778 Clc1cccc(c1NCc2ncc[nH]2)Br 34a_100102946385_100016991755 [0,0,0,0,0,1|0,1,2]=4 279 B16R2.25778 Clc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000210028_100016991755 [0,0,0,0,0,1|0,0,2]=3 280 B16R2.25778 Clc1cccc(c1NCc2ncco2)Cl 34a_100000210028_103436540062 [0,0,0,0,0,1|1,0,2]=4 281 B16R2.25778 Clc1cccc(c1NCc2nccs2)Cl 34a_100000210028_100015184050 [0,0,0,0,0,1|1,0,2]=4 282 B16R2.25778 Clc1cccc(c1NCc2ncon2)Cl 34a_100000210028_100000233494 [0,0,0,0,0,1|1,0,2]=4 283 B16R2.25778 Clc1cccc(c1NCc2nnn[nH]2)Br 34a_100102946385_100000765167 [0,0,0,0,0,1|2,1,0]=4 284 B16R2.25778 Clc1cccc(c1NCc2nnn[nH]2)Cl 34a_100000210028_100000765167 [0,0,0,0,0,1|2,0,0]=3 285 B16R2.25778 Clc1cccc(c1NN=C2C=CCC2)Cl 4a_100000688888_100000239507 [0,0,0,0,0,1|2,0,1]=4 286 B16R2.25778 Clc1cccc(c1NN=C2CCCC2)Cl 4a_100000688888_100000210133 [0,0,0,0,0,1|2,0,0]=3 287 B16R2.25778 Clc1cccc(c1NN=C2CCOC2)Cl 4a_100000688888_100000752484 [0,0,0,0,0,1|3,0,0]=4 288 B16R2.25778 Clc1cccc(c1NN=C2CCSC2)Cl 4a_100000688888_100000212027 [0,0,0,0,0,1|3,0,0]=4 289 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Br 34a_100010214474_100000737910 [0,0,0,0,0,1|1,1,0]=3 290 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Br 7a_100010214474_100000737910 [0,0,0,0,0,1|1,1,0]=3 291 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl 34a_100000211709_100000737910 [0,0,0,0,0,1|1,0,0]=2 292 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)Cl 7a_100000211709_100000737910 [0,0,0,0,0,1|1,0,0]=2 293 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)I 34a_100010202889_100000737910 [0,0,0,0,0,1|1,1,0]=3 294 B16R2.25778 Clc1cccc(c1OCC2=NCCN2)I 7a_100010202889_100000737910 [0,0,0,0,0,1|1,1,0]=3 295 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Cl 34a_100000211709_100016991755 [0,0,0,0,0,1|1,0,2]=4 296 B16R2.25778 Clc1cccc(c1OCc2ncc[nH]2)Cl 7a_100000211709_100000753453 [0,0,0,0,0,1|1,0,2]=4 297 B16R2.25778 Clc1cccc(c1OCc2nnn[nH]2)Cl 34a_100000211709_100000765167 [0,0,0,0,0,1|3,0,0]=4 298 B16R2.25778 Clc1cccc(c1OCc2nnn[nH]2)Cl 7a_100000211709_100000765167 [0,0,0,0,0,1|3,0,0]=4 299 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010214488 [0,0,0,0,0,1|1,1,0]=3 300 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Br 62a_100010214488_100000737910 [0,0,0,0,0,1|1,1,0]=3 301 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Cl 62a_100000034237_100000737910 [0,0,0,0,0,1|1,0,0]=2 302 B16R2.25778 Clc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000034237 [0,0,0,0,0,1|1,0,0]=2 303 B16R2.25778 Clc1cccc(c1SCc2ncc[nH]2)Cl 62a_100000034237_100016991755 [0,0,0,0,0,1|1,0,2]=4 304 B16R2.25778 Clc1cccc(c1SCc2ncc[nH]2)Cl 62a_100016991755_100000034237 [0,0,0,0,0,1|1,0,2]=4 305 B16R2.25778 Clc1cccc(c1SCc2nnn[nH]2)Cl 62a_100000034237_100000765167 [0,0,0,0,0,1|3,0,0]=4 306 B16R2.25778 Clc1cccc(c1SCc2nnn[nH]2)Cl 62a_100000765167_100000034237 [0,0,0,0,0,1|3,0,0]=4 307 B16R2.25778 Clc1ccnc(c1OCC2=NCCN2)Cl 34a_100000118450_100000737910 [0,0,0,0,0,1|2,0,0]=3 308 B16R2.25778 Clc1ccnc(c1OCC2=NCCN2)Cl 7a_100000118450_100000737910 [0,0,0,0,0,1|2,0,0]=3 309 B16R2.25778 Clc1ccnc(c1SCC2=NCCN2)Cl 62a_100000050019_100000737910 [0,0,0,0,0,1|2,0,0]=3 310 B16R2.25778 Clc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050019 [0,0,0,0,0,1|2,0,0]=3 311 B16R2.25778 Clc1cncc(c1SCC2=NCCN2)Cl 62a_100000036193_100000737910 [0,0,0,0,0,1|2,0,0]=3 312 B16R2.25778 Clc1cncc(c1SCC2=NCCN2)Cl 62a_100000737910_100000036193 [0,0,0,0,0,1|2,0,0]=3 313 B16R2.25778 Clc1nccc(c1OCC2=NCCN2)I 34a_100010067911_100000737910 [0,0,0,0,0,1|2,1,0]=4 314 B16R2.25778 Clc1nccc(c1OCC2=NCCN2)I 7a_100010067911_100000737910 [0,0,0,0,0,1|2,1,0]=4 315 B16R2.25778 Clc1nccc(c1SCC2=NCCN2)Br 62a_100000737910_100009814607 [0,0,0,0,0,1|2,1,0]=4 316 B16R2.25778 Clc1nccc(c1SCC2=NCCN2)Br 62a_100009814607_100000737910 [0,0,0,0,0,1|2,1,0]=4 317 B16R2.25778 Clc1ncnc(c1OCC2=NCCN2)Cl 34a_100009876168_100000737910 [0,0,0,0,0,1|3,0,0]=4 318 B16R2.25778 Clc1ncnc(c1OCC2=NCCN2)Cl 7a_100009876168_100000737910 [0,0,0,0,0,1|3,0,0]=4 319 B16R2.25778 Clc1ncnc(c1SCC2=NCCN2)Cl 62a_100000737910_100012348147 [0,0,0,0,0,1|3,0,0]=4 320 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)Br 34a_100000684712_100000737910 [0,0,0,0,0,1|0,2,0]=3 321 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)Cl 34a_100000760031_100000737910 [0,0,0,0,0,1|0,1,0]=2 322 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)F 34a_100000210704_100000737910 [0,0,0,0,0,1|0,2,0]=3 323 B16R2.25778 Fc1cccc(c1NCC2=NCCN2)I 34a_100000042321_100000737910 [0,0,0,0,0,1|0,2,0]=3 324 B16R2.25778 Fc1cccc(c1NCc2ncc[nH]2)Cl 34a_100000760031_100016991755 [0,0,0,0,0,1|0,1,2]=4 325 B16R2.25778 Fc1cccc(c1NCc2nnn[nH]2)Cl 34a_100000760031_100000765167 [0,0,0,0,0,1|2,1,0]=4 326 B16R2.25778 Fc1cccc(c1NN=C2CCCC2)Cl 4a_100000703590_100000210133 [0,0,0,0,0,1|2,1,0]=4 327 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Br 34a_100009813666_100000737910 [0,0,0,0,0,1|1,2,0]=4 328 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Br 7a_100009813666_100000737910 [0,0,0,0,0,1|1,2,0]=4 329 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Cl 34a_100000694953_100000737910 [0,0,0,0,0,1|1,1,0]=3 330 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)Cl 7a_100000694953_100000737910 [0,0,0,0,0,1|1,1,0]=3 331 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)F 34a_100000230165_100000737910 [0,0,0,0,0,1|1,2,0]=4 332 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)F 7a_100000230165_100000737910 [0,0,0,0,0,1|1,2,0]=4 333 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)I 34a_100010186298_100000737910 [0,0,0,0,0,1|1,2,0]=4 334 B16R2.25778 Fc1cccc(c1OCC2=NCCN2)I 7a_100010186298_100000737910 [0,0,0,0,0,1|1,2,0]=4 335 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100011219512 [0,0,0,0,0,1|1,2,0]=4 336 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Br 62a_100011219512_100000737910 [0,0,0,0,0,1|1,2,0]=4 337 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Cl 62a_100000050007_100000737910 [0,0,0,0,0,1|1,1,0]=3 338 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050007 [0,0,0,0,0,1|1,1,0]=3 339 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)F 62a_100000693133_100000737910 [0,0,0,0,0,1|1,2,0]=4 340 B16R2.25778 Fc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000693133 [0,0,0,0,0,1|1,2,0]=4 341 B16R2.25778 Fc1ccnc(c1OCC2=NCCN2)Cl 34a_100009867227_100000737910 [0,0,0,0,0,1|2,1,0]=4 342 B16R2.25778 Fc1ccnc(c1OCC2=NCCN2)Cl 7a_100009867227_100000737910 [0,0,0,0,0,1|2,1,0]=4 343 B16R2.25778 Fc1ccnc(c1SCC2=NCCN2)Cl 62a_100000716511_100000737910 [0,0,0,0,0,1|2,1,0]=4 344 B16R2.25778 Fc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100000716511 [0,0,0,0,0,1|2,1,0]=4 345 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)Br 34a_100011934915_100000737910 [0,0,0,0,0,1|2,1,0]=4 346 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)Cl 34a_100000754742_100000737910 [0,0,0,0,0,1|2,0,0]=3 347 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)F 34a_100011934987_100000737910 [0,0,0,0,0,1|2,1,0]=4 348 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)I 34a_100010084371_100000737910 [0,0,0,0,0,1|2,1,0]=4 349 B16R2.25778 Nc1cccc(c1OCC2=NCCN2)N 34a_200016994477_100000737910 [0,0,0,0,0,1|3,0,0]=4 350 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100020590159 [0,0,0,0,0,1|2,1,0]=4 351 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Br 62a_100020590159_100000737910 [0,0,0,0,0,1|2,1,0]=4 352 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Cl 62a_100000049713_100000737910 [0,0,0,0,0,1|2,0,0]=3 353 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000049713 [0,0,0,0,0,1|2,0,0]=3 354 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)F 62a_100000690935_100000737910 [0,0,0,0,0,1|2,1,0]=4 355 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000690935 [0,0,0,0,0,1|2,1,0]=4 356 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100012183704 [0,0,0,0,0,1|3,0,0]=4 357 B16R2.25778 Nc1cccc(c1SCC2=NCCN2)O 62a_100012183704_100000737910 [0,0,0,0,0,1|3,0,0]=4 358 B16R2.25778 Nc1ccnc(c1OCC2=NCCN2)Cl 34a_100009844647_100000737910 [0,0,0,0,0,1|3,0,0]=4 359 B16R2.25778 Nc1ccnc(c1OCC2=NCCN2)Cl 7a_100009844647_100000737910 [0,0,0,0,0,1|3,0,0]=4 360 B16R2.25778 Nc1ccnc(c1SCC2=NCCN2)Cl 62a_100000737910_100010208016 [0,0,0,0,0,1|3,0,0]=4 361 B16R2.25778 Nc1ccnc(c1SCC2=NCCN2)Cl 62a_100010208016_100000737910 [0,0,0,0,0,1|3,0,0]=4 362 B16R2.25778 Nc1nccc(c1SCC2=NCCN2)Cl 62a_100000737910_100010199028 [0,0,0,0,0,1|3,0,0]=4 363 B16R2.25778 Nc1nccc(c1SCC2=NCCN2)Cl 62a_100010199028_100000737910 [0,0,0,0,0,1|3,0,0]=4 364 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Br 34a_100011934926_100000737910 [0,0,0,0,0,1|1,1,0]=3 365 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Cl 34a_100012022510_100000737910 [0,0,0,0,0,1|1,0,0]=2 366 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)F 34a_100020591140_100000737910 [0,0,0,0,0,1|1,1,0]=3 367 B16R2.25778 Oc1cccc(c1NCc2ncc[nH]2)Cl 34a_100012022510_100016991755 [0,0,0,0,0,1|1,0,2]=4 368 B16R2.25778 Oc1cccc(c1NCc2nnn[nH]2)Cl 34a_100012022510_100000765167 [0,0,0,0,0,1|3,0,0]=4 369 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010187912 [0,0,0,0,0,1|2,1,0]=4 370 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Br 62a_100010187912_100000737910 [0,0,0,0,0,1|2,1,0]=4 371 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100000050174 [0,0,0,0,0,1|2,0,0]=3 372 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100009820682 [0,0,0,0,0,1|2,1,0]=4 373 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)F 62a_100009820682_100000737910 [0,0,0,0,0,1|2,1,0]=4 374 B16R2.25778 Oc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100010205330 [0,0,0,0,0,1|3,0,0]=4 375 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000210414_100000187851 [1,0,1,0,0,0|2,0,0]=4 376 B13R1.4928 CCC(=O)Cc1c(cccc1Cl)Cl 1458a_100000211232_100000210202 [1,0,1,0,0,0|2,0,0]=4 377 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Cl 11a_100102946385_100000210414 [1,0,1,0,0,0|1,1,0]=4 378 B13R1.4928 CCC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100000210414 [1,0,1,0,0,0|1,1,0]=4 379 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C 11a_100000756524_100000210414 [1,0,1,0,0,0|2,0,0]=4 380 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100000210414 [1,0,1,0,0,0|2,0,0]=4 381 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000210414 [1,0,1,0,0,0|1,0,0]=3 382 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000210414 [1,0,1,0,0,0|1,0,0]=3 383 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 11a_100000760031_100000210414 [1,0,1,0,0,0|1,1,0]=4 384 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100000210414 [1,0,1,0,0,0|1,1,0]=4 385 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000210414 [1,0,1,0,0,0|2,0,0]=4 386 B13R1.4928 CCC(=O)Nc1c(cccc1Cl)O 527a_100012022510_100000210414 [1,0,1,0,0,0|2,0,0]=4 387 B13R1.4928 CCC(=O)Nc1c(cccc1I)Cl 11a_100010190421_100000210414 [1,0,1,0,0,0|1,1,0]=4 388 B13R1.4928 CCC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100000210414 [1,0,1,0,0,0|1,1,0]=4 389 B13R1.4928 CCC(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100011215416 [1,0,1,0,0,0|1,0,1]=4 390 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 11a_106832991635_100000211232 [1,0,1,0,0,0|2,0,0]=4 391 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 1626a_100102657272_100000211232 [1,0,1,0,0,0|2,0,0]=4 392 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 240690a_100102657272_100000211232 [1,0,1,0,0,0|2,0,0]=4 393 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 527a_100102657272_100000211232 [1,0,1,0,0,0|2,0,0]=4 394 B13R1.4928 CNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100102657272 [1,0,1,0,0,0|1,1,0]=4 395 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100102657272 [1,0,1,0,0,0|2,0,0]=4 396 B13R1.4928 CNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100102657272 [1,0,1,0,0,0|1,1,0]=4 397 B13R1.4928 CNC(C)Cc1c(cccc1Cl)Cl 270004a_106832991635_100000692661 [1,0,1,0,0,0|1,0,1]=4 398 B13R1.470 CCCC(=O)Nc1ccccc1Cl 11a_100000185783_100000211992 [1,0,1,0,0,0|2,0,0]=4 399 B13R1.470 CCCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000211992 [1,0,1,0,0,0|2,0,0]=4 400 B13R1.470 CCCC(=O)Nc1ccccc1Cl 22a_100000185783_100000211992 [1,0,1,0,0,0|2,0,0]=4 401 B13R1.470 CCCC(=O)Nc1ccccc1Cl 527a_100000185783_100000211992 [1,0,1,0,0,0|2,0,0]=4 402 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [1,0,1,0,0,0|2,0,0]=4 403 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [1,0,1,0,0,0|2,0,0]=4 404 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [1,0,1,0,0,0|2,0,0]=4 405 B13R1.470 CCNC(=O)Nc1ccccc1Br 2430a_100000210017_100015525214 [1,0,1,0,0,0|1,1,0]=4 406 B13R1.470 CCNC(=O)Nc1ccccc1C 2430a_100015192222_100015525214 [1,0,1,0,0,0|2,0,0]=4 407 B13R1.470 CCNC(=O)Nc1ccccc1Cl 2430a_100000185783_100015525214 [1,0,1,0,0,0|1,0,0]=3 408 B13R1.470 CCNC(=O)Nc1ccccc1F 2430a_100000210422_100015525214 [1,0,1,0,0,0|1,1,0]=4 409 B13R1.470 CCNC(=O)Nc1ccccc1I 2430a_100000210053_100015525214 [1,0,1,0,0,0|1,1,0]=4 410 B13R1.470 CCNC(=O)Nc1ccccc1O 2430a_100000185747_100015525214 [1,0,1,0,0,0|2,0,0]=4 411 B13R1.8919 CCC=NNc1c(cccc1Cl)Cl 4a_100000688888_100000210100 [1,0,1,0,0,0|1,0,1]=4 412 B13R1.8919 CCCC=Cc1c(cccc1Cl)Cl 271570a_100016258520_100000034237 [1,0,1,0,0,0|2,0,0]=4 413 B13R1.8919 CCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000210210 [1,0,1,0,0,0|1,0,1]=4 414 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 207a_100020643023_100000189306 [1,0,1,0,0,0|1,0,1]=4 415 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000210303 [1,0,1,0,0,0|1,0,1]=4 416 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 270004a_100020643023_100000189306 [1,0,1,0,0,0|1,0,1]=4 417 B13R1.8919 CCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000210303 [1,0,1,0,0,0|1,0,1]=4 418 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 2230a_100015525214_100012161200 [1,0,1,0,0,0|1,0,1]=4 419 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 2230a_100032004868_100000210202 [1,0,1,0,0,0|1,0,1]=4 420 B13R1.8919 CCNCCc1c(cccc1Cl)Cl 34a_100032004868_100000210202 [1,0,1,0,0,0|1,0,1]=4 421 B13R1.8919 CCNN=Cc1c(cccc1Cl)Cl 4a_100000756455_100000189306 [1,0,1,0,0,0|2,0,0]=4 422 B13R1.8919 CCOC=Cc1c(cccc1Cl)Cl 271570a_100016256518_100000034237 [1,0,1,0,0,0|2,0,0]=4 423 B13R1.8919 FCCCNc1c(cccc1Cl)Cl 34a_100000210028_100011934791 [1,0,1,0,0,0|1,0,1]=4 424 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100011217306 [1,0,1,0,0,0|1,0,1]=4 425 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 34a_100000174884_100011217306 [1,0,1,0,0,0|1,0,1]=4 426 B13R1.8919 FCCNCc1c(cccc1Cl)Cl 34a_100000724931_100000187851 [1,0,1,0,0,0|1,0,1]=4 427 B13R1.8919 NCCOCc1c(cccc1Cl)Cl 34a_100000210304_100000187851 [1,0,1,0,0,0|1,0,1]=4 428 B13R1.8919 OCCCNc1c(cccc1Cl)Cl 34a_100000210028_100000230001 [1,0,1,0,0,0|1,0,1]=4 429 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 207a_100000210304_100000189306 [1,0,1,0,0,0|1,0,1]=4 430 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 2230a_100000174884_100000211926 [1,0,1,0,0,0|1,0,1]=4 431 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 2230a_100016997473_100000187851 [1,0,1,0,0,0|1,0,1]=4 432 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 270004a_100000210304_100000189306 [1,0,1,0,0,0|1,0,1]=4 433 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 34a_100000174884_100000211926 [1,0,1,0,0,0|1,0,1]=4 434 B13R1.8919 OCCNCc1c(cccc1Cl)Cl 34a_100016990907_100000187851 [1,0,1,0,0,0|1,0,1]=4 435 B15R1.2560 CCNC(=O)Nc1c(cccc1OC)Cl 2430a_100011309317_100015525214 [0,1,1,0,0,0|2,0,0]=4 436 B15R1.2565 CCCC(=O)Nc1c(ccc(c1Cl)C)Cl 11a_100000210993_100000211992 [0,1,1,0,0,0|2,0,0]=4 437 B15R1.2565 CCCC(=O)Nc1c(ccc(c1Cl)Cl)Cl 11a_103437851083_100000211992 [0,1,1,0,0,0|2,0,0]=4 438 B15R1.2565 CCCC(=O)Nc1c(ccc(c1Cl)Cl)Cl 1626a_103437851083_100000211992 [0,1,1,0,0,0|2,0,0]=4 439 B15R1.2565 CCNC(=O)Nc1c(ccc(c1Cl)C)F 2430a_106744479701_100015525214 [0,1,1,0,0,0|1,1,0]=4 440 B15R1.2565 CCNC(=O)Nc1c(ccc(c1F)C)Cl 2430a_100000062009_100015525214 [0,1,1,0,0,0|1,1,0]=4 441 B15R1.8287 CC(C)CC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000210554 [0,1,1,0,0,0|2,0,0]=4 442 B15R1.8287 CC(C)CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000210554 [0,1,1,0,0,0|2,0,0]=4 443 B15R1.8287 CC(C)NC(=O)Cc1c(cccc1Cl)Cl 11a_100138425928_100000211232 [0,1,1,0,0,0|2,0,0]=4 444 B15R1.8287 CC(C)NC(=O)Cc1c(cccc1Cl)Cl 1626a_100138425928_100000211232 [0,1,1,0,0,0|2,0,0]=4 445 B15R1.8287 CC(C)NC(=O)Cc1c(cccc1Cl)Cl 240690a_100138425928_100000211232 [0,1,1,0,0,0|2,0,0]=4 446 B15R1.8287 CC(C)NC(=O)Cc1c(cccc1Cl)Cl 527a_100138425928_100000211232 [0,1,1,0,0,0|2,0,0]=4 447 B15R1.8287 CC(C)NC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100138425928 [0,1,1,0,0,0|1,1,0]=4 448 B15R1.8287 CC(C)NC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100138425928 [0,1,1,0,0,0|1,1,0]=4 449 B15R1.8287 Cc1cccc(c1NC(=O)NC(C)C)Cl 2430a_100000756524_100138425928 [0,1,1,0,0,0|2,0,0]=4 450 B15R1.13264 CCC(C)C(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100011192722 [0,1,1,0,0,0|2,0,0]=4 451 B15R1.13264 CCC(C)C(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100011192722 [0,1,1,0,0,0|2,0,0]=4 452 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1Cl)Cl 11a_100000225621_100000211232 [0,1,1,0,0,0|2,0,0]=4 453 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1Cl)Cl 1626a_100000225621_100000211232 [0,1,1,0,0,0|2,0,0]=4 454 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1Cl)Cl 240690a_100000225621_100000211232 [0,1,1,0,0,0|2,0,0]=4 455 B15R1.13264 CCN(C)C(=O)Cc1c(cccc1Cl)Cl 527a_100000225621_100000211232 [0,1,1,0,0,0|2,0,0]=4 456 B15R1.13264 CCN(C)C(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100000225621 [0,1,1,0,0,0|1,1,0]=4 457 B15R1.13264 CCN(C)C(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100000225621 [0,1,1,0,0,0|2,0,0]=4 458 B15R1.13264 CCN(C)C(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100000225621 [0,1,1,0,0,0|1,1,0]=4 459 B15R1.37637 CCCC(=O)Nc1c(cc(cc1Cl)C)Cl 1626a_100011996032_100000211992 [0,1,1,0,0,0|2,0,0]=4 460 B15R1.37637 CCCC(=O)Nc1c(cc(cc1Cl)Cl)Cl 11a_100000210601_100000211992 [0,1,1,0,0,0|2,0,0]=4 461 B15R1.37637 CCCC(=O)Nc1c(cc(cc1Cl)Cl)Cl 1626a_100000210601_100000211992 [0,1,1,0,0,0|2,0,0]=4 462 B15R1.37637 CCCC(=O)Nc1c(cc(cc1Cl)F)Cl 1626a_100000688861_100000211992 [0,1,1,0,0,0|2,0,0]=4 463 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)Br)C 512a_100015525214_100000741131 [0,1,1,0,0,0|2,0,0]=4 464 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)C)C 2430a_100000211461_100015525214 [0,1,1,0,0,0|2,0,0]=4 465 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)C)C 512a_100015525214_100000211461 [0,1,1,0,0,0|2,0,0]=4 466 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)C)Cl 2430a_100011996032_100015525214 [0,1,1,0,0,0|1,0,0]=3 467 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)C)O 2430a_100015906060_100015525214 [0,1,1,0,0,0|2,0,0]=4 468 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)Cl)C 2430a_100011215104_100015525214 [0,1,1,0,0,0|2,0,0]=4 469 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)Cl)F 2430a_100000688862_100015525214 [0,1,1,0,0,0|1,1,0]=4 470 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)F)C 2430a_100000725997_100015525214 [0,1,1,0,0,0|2,0,0]=4 471 B15R1.37637 CCNC(=O)Nc1c(cc(cc1Cl)F)F 2430a_100000688773_100015525214 [0,1,1,0,0,0|1,1,0]=4 472 B15R1.45718 CCC=CC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000212282 [0,1,1,0,0,0|2,0,0]=4 473 B15R1.45718 CCC=CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000212282 [0,1,1,0,0,0|2,0,0]=4 474 B15R1.45718 CCCCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000210183 [0,1,1,0,0,0|2,0,0]=4 475 B15R1.45718 CCCCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000210183 [0,1,1,0,0,0|2,0,0]=4 476 B15R1.45718 CCCNC(=O)Cc1c(cccc1Cl)Cl 11a_100020643023_100000211232 [0,1,1,0,0,0|2,0,0]=4 477 B15R1.45718 CCCNC(=O)Cc1c(cccc1Cl)Cl 1626a_100020643023_100000211232 [0,1,1,0,0,0|2,0,0]=4 478 B15R1.45718 CCCNC(=O)Cc1c(cccc1Cl)Cl 240690a_100020643023_100000211232 [0,1,1,0,0,0|2,0,0]=4 479 B15R1.45718 CCCNC(=O)Cc1c(cccc1Cl)Cl 527a_100020643023_100000211232 [0,1,1,0,0,0|2,0,0]=4 480 B15R1.45718 CCCNC(=O)Nc1c(cccc1Br)Cl 2430a_100102946385_100020643023 [0,1,1,0,0,0|1,1,0]=4 481 B15R1.45718 CCCNC(=O)Nc1c(cccc1Cl)C 2430a_100000756524_100020643023 [0,1,1,0,0,0|2,0,0]=4 482 B15R1.45718 CCCNC(=O)Nc1c(cccc1Cl)F 2430a_100000760031_100020643023 [0,1,1,0,0,0|1,1,0]=4 483 B15R1.45718 CCNCC(=O)Nc1c(cccc1Cl)Cl 2230a_100015525214_100000182350 [0,1,1,0,0,0|1,0,0]=3 484 B15R1.45718 CCNNC(=O)Cc1c(cccc1Cl)Cl 22a_100000756455_100000211232 [0,1,1,0,0,0|2,0,0]=4 485 B15R1.45718 CCOCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000211967 [0,1,1,0,0,0|2,0,0]=4 486 B15R1.45718 CCOCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000211967 [0,1,1,0,0,0|2,0,0]=4 487 B15R1.45718 CCSCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000230394 [0,1,1,0,0,0|2,0,0]=4 488 B15R1.45718 CCSCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000230394 [0,1,1,0,0,0|2,0,0]=4 489 B15R1.45718 CCSCC(=O)Nc1c(cccc1Cl)Cl 62a_100000210202_100000182350 [0,1,1,0,0,0|2,0,0]=4 490 B15R1.45718 CNCCC(=O)Nc1c(cccc1Cl)Cl 2230a_106832991635_100000181493 [0,1,1,0,0,0|2,0,0]=4 491 B15R1.45718 CNCCC(=O)Nc1c(cccc1Cl)Cl 7a_106832991635_100000181493 [0,1,1,0,0,0|2,0,0]=4 492 B15R1.45718 COCCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000749529 [0,1,1,0,0,0|2,0,0]=4 493 B15R1.45718 COCCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000749529 [0,1,1,0,0,0|2,0,0]=4 494 B15R1.45718 CSCCC(=O)Nc1c(cccc1Cl)Cl 11a_100000210028_100000174002 [0,1,1,0,0,0|2,0,0]=4 495 B15R1.45718 CSCCC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000174002 [0,1,1,0,0,0|2,0,0]=4 496 B15R1.45718 CSCCC(=O)Nc1c(cccc1Cl)Cl 62a_200000210301_100000181493 [0,1,1,0,0,0|2,0,0]=4 497 B15R1.45718 Cc1cccc(c1NC(=O)NCCF)Cl 2430a_100000756524_100000724931 [0,1,1,0,0,0|2,0,0]=4 498 B15R1.45718 Cc1cccc(c1NC(=O)NCCO)Cl 2430a_100000756524_100000210304 [0,1,1,0,0,0|2,0,0]=4 499 B15R1.45718 O=C(Cc1c(cccc1Cl)Cl)NCCF 11a_100000724931_100000211232 [0,1,1,0,0,0|2,0,0]=4 500 B15R1.45718 O=C(Cc1c(cccc1Cl)Cl)NCCF 1626a_100000724931_100000211232 [0,1,1,0,0,0|2,0,0]=4 501 B15R1.45718 O=C(Cc1c(cccc1Cl)Cl)NCCF 240690a_100000724931_100000211232 [0,1,1,0,0,0|2,0,0]=4 502 B15R1.45718 O=C(Cc1c(cccc1Cl)Cl)NCCF 527a_100000724931_100000211232 [0,1,1,0,0,0|2,0,0]=4 503 B15R1.45718 O=C(Cc1c(cccc1Cl)Cl)NCCO 240690a_100000210304_100000211232 [0,1,1,0,0,0|2,0,0]=4 504 B15R1.45718 O=C(Cc1c(cccc1Cl)Cl)NCCO 527a_100000210304_100000211232 [0,1,1,0,0,0|2,0,0]=4 505 B15R1.45718 O=C(NCCF)Nc1c(cccc1Br)Cl 2430a_100102946385_100000724931 [0,1,1,0,0,0|1,1,0]=4 506 B15R1.45718 O=C(NCCF)Nc1c(cccc1Cl)F 2430a_100000760031_100000724931 [0,1,1,0,0,0|1,1,0]=4 507 B15R1.45718 O=C(NCCO)Nc1c(cccc1Br)Cl 2430a_100102946385_100000210304 [0,1,1,0,0,0|1,1,0]=4 508 B15R1.45718 O=C(NCCO)Nc1c(cccc1Cl)F 2430a_100000760031_100000210304 [0,1,1,0,0,0|1,1,0]=4 509 B15R1.45718 [13CH3]SCCC(=O)Nc1c(cccc1Cl)Cl 62a_200025704644_100000181493 [0,1,1,0,0,0|2,0,0]=4 510 B15R1.51699 CCCC(=O)N(C)c1c(cccc1Cl)Cl 11a_100000691019_100000211992 [0,1,1,0,0,0|2,0,0]=4 511 B15R1.51699 CCCC(=O)N(C)c1c(cccc1Cl)Cl 1626a_100000691019_100000211992 [0,1,1,0,0,0|2,0,0]=4 512 B15R1.51699 CCNC(=O)N(C)c1c(cccc1Cl)Cl 512a_100015525214_100000691019 [0,1,1,0,0,0|1,0,0]=3 513 B15R1.51699 CNNC(=O)N(C)c1c(cccc1Cl)Cl 512a_100016993582_100000691019 [0,1,1,0,0,0|2,0,0]=4 514 B15R1.44685 CCCCC=NNc1c(cccc1Cl)Cl 4a_100000688888_100000210104 [0,1,1,0,0,0|2,0,0]=4 515 B15R2.359 Cn1ncnc1Nc2ccccc2Cl 27a_100000185783_100000732653 [1,1,0,0,0,0|1,0,1]=4 516 B15R2.4203 Cc1cc(c(c(c1)Cl)NC2CCC2)Cl 34a_100011996032_100000749161 [0,1,0,0,1,0|1,0,1]=4 517 B15R2.4203 Clc1cc(c(c(c1)Cl)NC2CCC2)Cl 34a_100000210601_100000749161 [0,1,0,0,1,0|1,0,1]=4 518 B15R2.4203 Clc1cc(cc(c1NC2CCC2)Cl)Br 34a_100000211608_100000749161 [0,1,0,0,1,0|1,0,1]=4 519 B15R2.4203 Fc1cc(c(c(c1)Cl)NC2CCC2)Cl 34a_100000688861_100000749161 [0,1,0,0,1,0|1,0,1]=4 520 B15R2.15368 CN(c1c(cccc1Cl)Cl)C2CCC2 269982a_100000691019_100000749161 [0,1,0,0,1,0|1,0,1]=4 521 B15R2.15368 CN(c1c(cccc1Cl)Cl)C2CCC2 34a_100000691019_100000749161 [0,1,0,0,1,0|1,0,1]=4 522 B15R2.15370 O=C1CCC1Nc2c(cccc2Cl)Cl 34a_100000210028_100009892977 [0,1,0,0,1,0|1,0,1]=4 523 B15R2.15644 Cc1ccc(c(c1Cl)NC2CCC2)Cl 34a_100000210993_100000749161 [0,1,0,0,1,0|1,0,1]=4 524 B15R2.15644 Clc1ccc(c(c1Cl)NC2CCC2)Cl 34a_103437851083_100000749161 [0,1,0,0,1,0|1,0,1]=4 525 B15R2.15644 Oc1ccc(c(c1Cl)NC2CCC2)Cl 34a_100016988457_100000749161 [0,1,0,0,1,0|1,0,1]=4 526 B15R2.4201 Cc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100010233845_100025796157 [0,1,0,0,1,0|0,0,2]=4 527 B15R2.4201 Clc1cc(c(c(c1)Cl)C2=CCCC2)Cl 271570a_100000089523_200011216440 [0,1,0,0,1,0|2,0,0]=4 528 B15R2.4201 Clc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100016988920_200011216440 [0,1,0,0,1,0|0,0,2]=4 529 B15R2.4201 Clc1cc(cc(c1C2=CCCC2)Cl)Br 271570a_100000089523_200011263224 [0,1,0,0,1,0|2,0,0]=4 530 B15R2.4201 Clc1cc(cc(c1c2ncc[nH]2)Cl)Br 271570a_100016988920_200011263224 [0,1,0,0,1,0|0,0,2]=4 531 B15R2.4201 Fc1cc(c(c(c1)Cl)C2=CCCC2)Cl 271570a_100000089523_100010175091 [0,1,0,0,1,0|2,0,0]=4 532 B15R2.4201 Fc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100000722820_100025796157 [0,1,0,0,1,0|0,0,2]=4 533 B15R2.4201 Fc1cc(c(c(c1)Cl)c2ncc[nH]2)Cl 271570a_100016988920_100010175091 [0,1,0,0,1,0|0,0,2]=4 534 B15R2.15647 Cc1ccc(c(c1Cl)c2ncc[nH]2)Cl 271570a_200010208260_100025796157 [0,1,0,0,1,0|0,0,2]=4 535 B15R2.15647 Clc1ccc(c(c1Cl)C2=CCCC2)Cl 271570a_100000089523_200010170825 [0,1,0,0,1,0|2,0,0]=4 536 B15R2.15647 Clc1ccc(c(c1Cl)c2ncc[nH]2)Cl 271570a_100016988920_200010170825 [0,1,0,0,1,0|0,0,2]=4 537 B17R2.24354 O=C1NCCCC1Nc2c(cccc2Cl)Cl 34a_100000210028_100000687798 [0,1,0,0,0,1|1,0,1]=4 538 B17R2.38423 CC1CCCC1=NNc2c(cccc2Cl)Cl 4a_100000688888_100000752053 [0,1,0,0,0,1|2,0,0]=4 539 B17R2.38423 Cn1ccnc1CNc2c(cccc2Cl)Cl 34a_100000210028_100000700302 [0,1,0,0,0,1|0,0,2]=4 540 B17R2.38423 Cn1ncnc1NCc2c(cccc2Cl)Cl 27a_100000174884_100000732653 [0,1,0,0,0,1|1,0,1]=4 541 B17R2.38423 OC1CCCC1=NNc2c(cccc2Cl)Cl 4a_100000688888_200000719330 [0,1,0,0,0,1|2,0,0]=4 542 B17R2.41794 O=C(Nc1c(cccc1Cl)Cl)C2=CCCC2 11a_100000210028_100000038896 [0,1,0,0,0,1|2,0,0]=4 543 B17R2.41794 O=C(Nc1c(cccc1Cl)Cl)C2=CCCC2 1626a_100000210028_100000038896 [0,1,0,0,0,1|2,0,0]=4 544 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2Cl)Cl 269982a_100000691019_100000737910 [0,1,0,0,0,1|0,0,0]=2 545 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2Cl)Cl 34a_100000691019_100000737910 [0,1,0,0,0,1|0,0,0]=2 546 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2F)F 269982a_100000743377_100000737910 [0,1,0,0,0,1|0,2,0]=4 547 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2F)F 34a_100000743377_100000737910 [0,1,0,0,0,1|0,2,0]=4 548 B17R2.41886 CN(CC1=NCCN1)c2c(cccc2F)F 38a_100000743377_100000737910 [0,1,0,0,0,1|0,2,0]=4 549 B17R2.41886 CN(Cc1ncc[nH]1)c2c(cccc2Cl)Cl 269982a_100000691019_100016991755 [0,1,0,0,0,1|0,0,2]=4 550 B17R2.41886 CN(Cc1ncc[nH]1)c2c(cccc2Cl)Cl 34a_100000691019_100016991755 [0,1,0,0,0,1|0,0,2]=4 551 B17R2.41886 CN(Cc1nnn[nH]1)c2c(cccc2Cl)Cl 269982a_100000691019_100000765167 [0,1,0,0,0,1|2,0,0]=4 552 B17R2.41886 CN(Cc1nnn[nH]1)c2c(cccc2Cl)Cl 34a_100000691019_100000765167 [0,1,0,0,0,1|2,0,0]=4 553 B17R2.41886 Cc1cccc(c1N(C)CC2=NCCN2)C 269982a_100011645471_100000737910 [0,1,0,0,0,1|2,0,0]=4 554 B17R2.41886 Cc1cccc(c1N(C)CC2=NCCN2)C 34a_100011645471_100000737910 [0,1,0,0,0,1|2,0,0]=4 555 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 34a_100000210048_100000737910 [0,1,0,0,0,1|2,0,0]=4 556 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 7a_100000210048_100000737910 [0,1,0,0,0,1|2,0,0]=4 557 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Br 34a_100000708083_100000737910 [0,1,0,0,0,1|1,1,0]=4 558 B17R2.71328 COc1cccc(c1NCC2=NCCN2)C 34a_100000758225_100000737910 [0,1,0,0,0,1|2,0,0]=4 559 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Cl 34a_100011309317_100000737910 [0,1,0,0,0,1|1,0,0]=3 560 B17R2.71328 COc1cccc(c1NCC2=NCCN2)F 34a_100000686744_100000737910 [0,1,0,0,0,1|1,1,0]=4 561 B17R2.71328 COc1cccc(c1NCC2=NCCN2)O 34a_100012022766_100000737910 [0,1,0,0,0,1|2,0,0]=4 562 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 34a_100009851661_100000737910 [0,1,0,0,0,1|2,0,0]=4 563 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 7a_100009851661_100000737910 [0,1,0,0,0,1|2,0,0]=4 564 B17R2.71328 Cc1cccc(c1NCC2=NCCN2)CO 34a_100011215590_100000737910 [0,1,0,0,0,1|2,0,0]=4 565 B17R2.71328 N#Cc1cccc(c1NCC2=NCCN2)F 34a_100011219409_100000737910 [0,1,0,0,0,1|1,1,0]=4 566 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Cl 34a_100009866432_100000737910 [0,1,0,0,0,1|2,0,0]=4 567 B17R2.71328 N#Cc1cccc(c1OCC2=NCCN2)Cl 7a_100009866432_100000737910 [0,1,0,0,0,1|2,0,0]=4 568 B17R2.71328 N#Cc1cccc(c1SCC2=NCCN2)Cl 62a_100000737910_100010134094 [0,1,0,0,0,1|2,0,0]=4 569 B17R2.71328 OCc1cccc(c1NCC2=NCCN2)Cl 34a_100012182729_100000737910 [0,1,0,0,0,1|1,0,0]=3 570 B17R2.71328 OCc1cccc(c1NCC2=NCCN2)F 34a_100000692437_100000737910 [0,1,0,0,0,1|1,1,0]=4 571 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000184052_100000737910 [0,1,0,0,0,1|0,2,0]=4 572 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)C 34a_100000688863_100000737910 [0,1,0,0,0,1|1,1,0]=4 573 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100012339639_100000737910 [0,1,0,0,0,1|0,1,0]=3 574 B17R2.83661 Cc1cc(c(c(c1)Br)NCC2=NCCN2)F 34a_100012353694_100000737910 [0,1,0,0,0,1|0,2,0]=4 575 B17R2.83661 Cc1cc(c(c(c1)C)NCC2=NCCN2)C 34a_100000210045_100000737910 [0,1,0,0,0,1|2,0,0]=4 576 B17R2.83661 Cc1cc(c(c(c1)C)NCC2=NCCN2)C 7a_100000210045_100000737910 [0,1,0,0,0,1|2,0,0]=4 577 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)C 34a_100000211461_100000737910 [0,1,0,0,0,1|1,0,0]=3 578 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)C 7a_100000211461_100000737910 [0,1,0,0,0,1|1,0,0]=3 579 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100011996032_100000737910 [0,1,0,0,0,1|0,0,0]=2 580 B17R2.83661 Cc1cc(c(c(c1)Cl)NCC2=NCCN2)O 34a_100015906060_100000737910 [0,1,0,0,0,1|1,0,0]=3 581 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100011996032_100016991755 [0,1,0,0,0,1|0,0,2]=4 582 B17R2.83661 Cc1cc(c(c(c1)Cl)NCc2nnn[nH]2)Cl 34a_100011996032_100000765167 [0,1,0,0,0,1|2,0,0]=4 583 B17R2.83661 Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000034925_100000737910 [0,1,0,0,0,1|1,0,0]=3 584 B17R2.83661 Cc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000034925_100000737910 [0,1,0,0,0,1|1,0,0]=3 585 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100012047207_100000737910 [0,1,0,0,0,1|1,1,0]=4 586 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Br 7a_100012047207_100000737910 [0,1,0,0,0,1|1,1,0]=4 587 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Cl 34a_100012353696_100000737910 [0,1,0,0,0,1|1,1,0]=4 588 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)Cl 7a_100012353696_100000737910 [0,1,0,0,0,1|1,1,0]=4 589 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)F 34a_100011216670_100000737910 [0,1,0,0,0,1|1,1,0]=4 590 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Br)F 7a_100011216670_100000737910 [0,1,0,0,0,1|1,1,0]=4 591 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Br 34a_100000737279_100000737910 [0,1,0,0,0,1|2,0,0]=4 592 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Br 7a_100000737279_100000737910 [0,1,0,0,0,1|2,0,0]=4 593 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Cl 34a_100000692879_100000737910 [0,1,0,0,0,1|2,0,0]=4 594 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)Cl 7a_100000692879_100000737910 [0,1,0,0,0,1|2,0,0]=4 595 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)F 34a_100011290887_100000737910 [0,1,0,0,0,1|2,0,0]=4 596 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)F 7a_100011290887_100000737910 [0,1,0,0,0,1|2,0,0]=4 597 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)I 7a_100011356821_100000737910 [0,1,0,0,0,1|2,0,0]=4 598 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)C)O 34a_100011934200_100000737910 [0,1,0,0,0,1|2,0,0]=4 599 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000741131_100000737910 [0,1,0,0,0,1|1,0,0]=3 600 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Br 7a_100000741131_100000737910 [0,1,0,0,0,1|1,0,0]=3 601 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100011215104_100000737910 [0,1,0,0,0,1|1,0,0]=3 602 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100011215104_100000737910 [0,1,0,0,0,1|1,0,0]=3 603 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)F 34a_100000725997_100000737910 [0,1,0,0,0,1|1,0,0]=3 604 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)Cl)F 7a_100000725997_100000737910 [0,1,0,0,0,1|1,0,0]=3 605 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100000709789_100000737910 [0,1,0,0,0,1|1,1,0]=4 606 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Br 7a_100000709789_100000737910 [0,1,0,0,0,1|1,1,0]=4 607 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100012017672_100000737910 [0,1,0,0,0,1|1,1,0]=4 608 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100012017672_100000737910 [0,1,0,0,0,1|1,1,0]=4 609 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)I)Br 7a_200000690823_100000737910 [0,1,0,0,0,1|1,1,0]=4 610 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)I)Cl 7a_100012344046_100000737910 [0,1,0,0,0,1|1,1,0]=4 611 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)O)Br 34a_100010371313_100000737910 [0,1,0,0,0,1|2,0,0]=4 612 B17R2.83661 Cc1cc(cc(c1NCC2=NCCN2)O)Br 7a_100010371313_100000737910 [0,1,0,0,0,1|2,0,0]=4 613 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000211485_100000737910 [0,1,0,0,0,1|2,0,0]=4 614 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000211485_100000737910 [0,1,0,0,0,1|2,0,0]=4 615 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Cl 34a_100011218458_100000737910 [0,1,0,0,0,1|2,0,0]=4 616 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100011218458_100000737910 [0,1,0,0,0,1|2,0,0]=4 617 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)I 34a_200015900153_100000737910 [0,1,0,0,0,1|2,0,0]=4 618 B17R2.83661 Cc1cc(cc(c1OCC2=NCCN2)Cl)I 7a_200015900153_100000737910 [0,1,0,0,0,1|2,0,0]=4 619 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200000035511 [0,1,0,0,0,1|2,0,0]=4 620 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)Cl 62a_200000035511_100000737910 [0,1,0,0,0,1|2,0,0]=4 621 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)F 62a_100000737910_100010079234 [0,1,0,0,0,1|2,0,0]=4 622 B17R2.83661 Cc1cc(cc(c1SCC2=NCCN2)Cl)F 62a_100010079234_100000737910 [0,1,0,0,0,1|2,0,0]=4 623 B17R2.83661 Clc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000724118_100000737910 [0,1,0,0,0,1|0,2,0]=4 624 B17R2.83661 Clc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100011218119_100000737910 [0,1,0,0,0,1|0,1,0]=3 625 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 34a_200000243811_100000737910 [0,1,0,0,0,1|1,1,0]=4 626 B17R2.83661 Clc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 7a_200000243811_100000737910 [0,1,0,0,0,1|1,1,0]=4 627 B17R2.83661 Clc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100000737910_200009992027 [0,1,0,0,0,1|1,1,0]=4 628 B17R2.83661 Clc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_200009992027_100000737910 [0,1,0,0,0,1|1,1,0]=4 629 B17R2.83661 Clc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000210601_100000737910 [0,1,0,0,0,1|0,0,0]=2 630 B17R2.83661 Clc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100000210601_100016991755 [0,1,0,0,0,1|0,0,2]=4 631 B17R2.83661 Clc1cc(c(c(c1)Cl)NCc2nnn[nH]2)Cl 34a_100000210601_100000765167 [0,1,0,0,0,1|2,0,0]=4 632 B17R2.83661 Clc1cc(c(c(c1)Cl)NN=C2CCCC2)Cl 4a_100000210454_100000210133 [0,1,0,0,0,1|2,0,0]=4 633 B17R2.83661 Clc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000210218_100000737910 [0,1,0,0,0,1|1,0,0]=3 634 B17R2.83661 Clc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000210218_100000737910 [0,1,0,0,0,1|1,0,0]=3 635 B17R2.83661 Clc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100000737910_200011216440 [0,1,0,0,0,1|1,0,0]=3 636 B17R2.83661 Clc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_200011216440_100000737910 [0,1,0,0,0,1|1,0,0]=3 637 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)Cl 34a_200012339341_100000737910 [0,1,0,0,0,1|1,1,0]=4 638 B17R2.83661 Clc1cc(c(c(c1)I)OCC2=NCCN2)Cl 7a_200012339341_100000737910 [0,1,0,0,0,1|1,1,0]=4 639 B17R2.83661 Clc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100011216035_100000737910 [0,1,0,0,0,1|0,1,0]=3 640 B17R2.83661 Clc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000211608_100000737910 [0,1,0,0,0,1|0,0,0]=2 641 B17R2.83661 Clc1cc(cc(c1NCc2ncc[nH]2)Cl)Br 34a_100000211608_100016991755 [0,1,0,0,0,1|0,0,2]=4 642 B17R2.83661 Clc1cc(cc(c1NCc2nnn[nH]2)Cl)Br 34a_100000211608_100000765167 [0,1,0,0,0,1|2,0,0]=4 643 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Br)Br 34a_100012337755_100000737910 [0,1,0,0,0,1|1,1,0]=4 644 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Br)Br 7a_100012337755_100000737910 [0,1,0,0,0,1|1,1,0]=4 645 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000753780_100000737910 [0,1,0,0,0,1|1,0,0]=3 646 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000753780_100000737910 [0,1,0,0,0,1|1,0,0]=3 647 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)Cl)I 7a_100012339652_100000737910 [0,1,0,0,0,1|1,0,0]=3 648 B17R2.83661 Clc1cc(cc(c1OCC2=NCCN2)I)I 7a_100009997439_100000737910 [0,1,0,0,0,1|1,1,0]=4 649 B17R2.83661 Clc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_200011263224 [0,1,0,0,0,1|1,0,0]=3 650 B17R2.83661 Clc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_200011263224_100000737910 [0,1,0,0,0,1|1,0,0]=3 651 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)Br 34a_100000211720_100000737910 [0,1,0,0,0,1|0,2,0]=4 652 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)Cl 34a_100000694656_100000737910 [0,1,0,0,0,1|0,1,0]=3 653 B17R2.83661 Fc1cc(c(c(c1)Br)NCC2=NCCN2)F 34a_100000211602_100000737910 [0,1,0,0,0,1|0,2,0]=4 654 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 34a_100011830411_100000737910 [0,1,0,0,0,1|1,1,0]=4 655 B17R2.83661 Fc1cc(c(c(c1)Br)OCC2=NCCN2)Cl 7a_100011830411_100000737910 [0,1,0,0,0,1|1,1,0]=4 656 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100000737910_100012356682 [0,1,0,0,0,1|1,1,0]=4 657 B17R2.83661 Fc1cc(c(c(c1)Br)SCC2=NCCN2)Cl 62a_100012356682_100000737910 [0,1,0,0,0,1|1,1,0]=4 658 B17R2.83661 Fc1cc(c(c(c1)Cl)NCC2=NCCN2)Cl 34a_100000688861_100000737910 [0,1,0,0,0,1|0,0,0]=2 659 B17R2.83661 Fc1cc(c(c(c1)Cl)NCC2=NCCN2)F 34a_100000688773_100000737910 [0,1,0,0,0,1|0,1,0]=3 660 B17R2.83661 Fc1cc(c(c(c1)Cl)NCc2ncc[nH]2)Cl 34a_100000688861_100016991755 [0,1,0,0,0,1|0,0,2]=4 661 B17R2.83661 Fc1cc(c(c(c1)Cl)NCc2nnn[nH]2)Cl 34a_100000688861_100000765167 [0,1,0,0,0,1|2,0,0]=4 662 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100011217724_100000737910 [0,1,0,0,0,1|1,0,0]=3 663 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100011217724_100000737910 [0,1,0,0,0,1|1,0,0]=3 664 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)F 34a_100011935252_100000737910 [0,1,0,0,0,1|1,1,0]=4 665 B17R2.83661 Fc1cc(c(c(c1)Cl)OCC2=NCCN2)F 7a_100011935252_100000737910 [0,1,0,0,0,1|1,1,0]=4 666 B17R2.83661 Fc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100000737910_100010175091 [0,1,0,0,0,1|1,0,0]=3 667 B17R2.83661 Fc1cc(c(c(c1)Cl)SCC2=NCCN2)Cl 62a_100010175091_100000737910 [0,1,0,0,0,1|1,0,0]=3 668 B17R2.83661 Fc1cc(c(c(c1)F)NCC2=NCCN2)F 34a_100000760425_100000737910 [0,1,0,0,0,1|0,2,0]=4 669 B17R2.83661 Fc1cc(c(c(c1)I)NCC2=NCCN2)F 34a_100102885649_100000737910 [0,1,0,0,0,1|0,2,0]=4 670 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100011215609_100000737910 [0,1,0,0,0,1|0,2,0]=4 671 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Br)Cl 34a_100011217455_100000737910 [0,1,0,0,0,1|0,2,0]=4 672 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Br 34a_100000725741_100000737910 [0,1,0,0,0,1|0,1,0]=3 673 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Br 7a_100000725741_100000737910 [0,1,0,0,0,1|0,1,0]=3 674 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100000688862_100000737910 [0,1,0,0,0,1|0,1,0]=3 675 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)Cl)Cl 7a_100000688862_100000737910 [0,1,0,0,0,1|0,1,0]=3 676 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100000758902_100000737910 [0,1,0,0,0,1|0,2,0]=4 677 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Br 7a_100000758902_100000737910 [0,1,0,0,0,1|0,2,0]=4 678 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100000695146_100000737910 [0,1,0,0,0,1|0,2,0]=4 679 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100000695146_100000737910 [0,1,0,0,0,1|0,2,0]=4 680 B17R2.83661 Fc1cc(cc(c1NCC2=NCCN2)F)I 34a_100012353610_100000737910 [0,1,0,0,0,1|0,2,0]=4 681 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100011216646_100000737910 [0,1,0,0,0,1|1,1,0]=4 682 B17R2.83661 Fc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100011216646_100000737910 [0,1,0,0,0,1|1,1,0]=4 683 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_100010212234 [0,1,0,0,0,1|1,1,0]=4 684 B17R2.83661 Fc1cc(cc(c1SCC2=NCCN2)Cl)Br 62a_100010212234_100000737910 [0,1,0,0,0,1|1,1,0]=4 685 B17R2.83661 Nc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 34a_100000695418_100000737910 [0,1,0,0,0,1|1,0,0]=3 686 B17R2.83661 Nc1cc(c(c(c1)Cl)OCC2=NCCN2)Cl 7a_100000695418_100000737910 [0,1,0,0,0,1|1,0,0]=3 687 B17R2.83661 Nc1cc(c(c(c1)Cl)SCC2=NCCN2)F 62a_100000737910_100014833993 [0,1,0,0,0,1|1,1,0]=4 688 B17R2.83661 Nc1cc(c(c(c1)Cl)SCC2=NCCN2)F 62a_100014833993_100000737910 [0,1,0,0,0,1|1,1,0]=4 689 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Br 34a_100000694353_100000737910 [0,1,0,0,0,1|2,0,0]=4 690 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Br 7a_100000694353_100000737910 [0,1,0,0,0,1|2,0,0]=4 691 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Cl 34a_100000695819_100000737910 [0,1,0,0,0,1|2,0,0]=4 692 B17R2.83661 Nc1cc(cc(c1OCC2=NCCN2)Cl)Cl 7a_100000695819_100000737910 [0,1,0,0,0,1|2,0,0]=4 693 B17R2.83661 Oc1cc(c(c(c1)F)NCC2=NCCN2)F 34a_100000036573_100000737910 [0,1,0,0,0,1|0,2,0]=4 694 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Br 34a_100015475841_100000737910 [0,1,0,0,0,1|1,1,0]=4 695 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Cl 34a_100010883250_100000737910 [0,1,0,0,0,1|1,1,0]=4 696 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)Cl 7a_100010883250_100000737910 [0,1,0,0,0,1|1,1,0]=4 697 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)F 34a_100011217947_100000737910 [0,1,0,0,0,1|1,1,0]=4 698 B17R2.83661 Oc1cc(cc(c1NCC2=NCCN2)F)F 7a_100011217947_100000737910 [0,1,0,0,0,1|1,1,0]=4 699 B17R2.146246 CC1CCC(=NNc2c(cccc2Cl)Cl)C1 4a_100000688888_100011215218 [0,1,0,0,0,1|2,0,0]=4 700 B17R2.146246 OC1CCC(=NNc2c(cccc2Cl)Cl)C1 4a_100000688888_100012614533 [0,1,0,0,0,1|2,0,0]=4 701 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)Br)F 34a_100011009917_100000737910 [0,1,0,0,0,1|1,1,0]=4 702 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)Cl)Cl 34a_100009961198_100000737910 [0,1,0,0,0,1|1,0,0]=3 703 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)F)Br 34a_100010588651_100000737910 [0,1,0,0,0,1|1,1,0]=4 704 B17R2.276976 Cc1c(ccc(c1NCC2=NCCN2)O)Br 34a_100013039247_100000737910 [0,1,0,0,0,1|2,0,0]=4 705 B17R2.276976 Cc1ccc(c(c1C)NCC2=NCCN2)C 34a_100000117417_100000737910 [0,1,0,0,0,1|2,0,0]=4 706 B17R2.276976 Cc1ccc(c(c1C)NCC2=NCCN2)C 7a_100000117417_100000737910 [0,1,0,0,0,1|2,0,0]=4 707 B17R2.276976 Cc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_100000210993_100000737910 [0,1,0,0,0,1|0,0,0]=2 708 B17R2.276976 Cc1ccc(c(c1Cl)NCC2=NCCN2)F 34a_106744479701_100000737910 [0,1,0,0,0,1|0,1,0]=3 709 B17R2.276976 Cc1ccc(c(c1Cl)NCc2ncc[nH]2)Cl 34a_100000210993_100016991755 [0,1,0,0,0,1|0,0,2]=4 710 B17R2.276976 Cc1ccc(c(c1Cl)NCc2nnn[nH]2)Cl 34a_100000210993_100000765167 [0,1,0,0,0,1|2,0,0]=4 711 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)Cl 34a_200000087117_100000737910 [0,1,0,0,0,1|1,0,0]=3 712 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)Cl 7a_200000087117_100000737910 [0,1,0,0,0,1|1,0,0]=3 713 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)F 34a_100000035349_100000737910 [0,1,0,0,0,1|1,1,0]=4 714 B17R2.276976 Cc1ccc(c(c1Cl)OCC2=NCCN2)F 7a_100000035349_100000737910 [0,1,0,0,0,1|1,1,0]=4 715 B17R2.276976 Cc1ccc(c(c1F)NCC2=NCCN2)Cl 34a_100000062009_100000737910 [0,1,0,0,0,1|0,1,0]=3 716 B17R2.276976 Cc1ccc(c(c1F)NCC2=NCCN2)F 34a_102495364760_100000737910 [0,1,0,0,0,1|0,2,0]=4 717 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Cl 34a_200000034537_100000737910 [0,1,0,0,0,1|1,1,0]=4 718 B17R2.276976 Cc1ccc(c(c1F)OCC2=NCCN2)Cl 7a_200000034537_100000737910 [0,1,0,0,0,1|1,1,0]=4 719 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)Br 34a_200010074581_100000737910 [0,1,0,0,0,1|2,0,0]=4 720 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)Cl 34a_200020642106_100000737910 [0,1,0,0,0,1|2,0,0]=4 721 B17R2.276976 Cc1ccc(c(c1NCC2=NCCN2)C)I 34a_200010115591_100000737910 [0,1,0,0,0,1|2,0,0]=4 722 B17R2.276976 Cc1ccc(c(c1OCC2=NCCN2)Cl)N 34a_100000036876_100000737910 [0,1,0,0,0,1|2,0,0]=4 723 B17R2.276976 Cc1ccc(c(c1OCC2=NCCN2)Cl)N 7a_100000036876_100000737910 [0,1,0,0,0,1|2,0,0]=4 724 B17R2.276976 Clc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_103437851083_100000737910 [0,1,0,0,0,1|0,0,0]=2 725 B17R2.276976 Clc1ccc(c(c1Cl)NCc2ncc[nH]2)Cl 34a_103437851083_100016991755 [0,1,0,0,0,1|0,0,2]=4 726 B17R2.276976 Clc1ccc(c(c1Cl)NCc2nnn[nH]2)Cl 34a_103437851083_100000765167 [0,1,0,0,0,1|2,0,0]=4 727 B17R2.276976 Clc1ccc(c(c1Cl)OCC2=NCCN2)Cl 34a_100000042553_100000737910 [0,1,0,0,0,1|1,0,0]=3 728 B17R2.276976 Clc1ccc(c(c1Cl)OCC2=NCCN2)Cl 7a_100000042553_100000737910 [0,1,0,0,0,1|1,0,0]=3 729 B17R2.276976 Clc1ccc(c(c1Cl)SCC2=NCCN2)Cl 62a_100000737910_200010170825 [0,1,0,0,0,1|1,0,0]=3 730 B17R2.276976 Clc1ccc(c(c1Cl)SCC2=NCCN2)Cl 62a_200010170825_100000737910 [0,1,0,0,0,1|1,0,0]=3 731 B17R2.276976 Clc1ccc(c(c1OCC2=NCCN2)Cl)Br 34a_100010089855_100000737910 [0,1,0,0,0,1|1,0,0]=3 732 B17R2.276976 Clc1ccc(c(c1OCC2=NCCN2)Cl)Br 7a_100010089855_100000737910 [0,1,0,0,0,1|1,0,0]=3 733 B17R2.276976 Fc1c(ccc(c1NCC2=NCCN2)Br)Cl 34a_100011010633_100000737910 [0,1,0,0,0,1|0,2,0]=4 734 B17R2.276976 Fc1c(ccc(c1NCC2=NCCN2)Cl)Br 34a_100010995236_100000737910 [0,1,0,0,0,1|0,1,0]=3 735 B17R2.276976 Fc1c(ccc(c1NCC2=NCCN2)Cl)Cl 34a_200000061452_100000737910 [0,1,0,0,0,1|0,1,0]=3 736 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Cl)Br 34a_100010240321_100000737910 [0,1,0,0,0,1|1,1,0]=4 737 B17R2.276976 Fc1c(ccc(c1OCC2=NCCN2)Cl)Br 7a_100010240321_100000737910 [0,1,0,0,0,1|1,1,0]=4 738 B17R2.276976 Fc1c(ccc(c1SCC2=NCCN2)Cl)Br 62a_100000737910_100011092007 [0,1,0,0,0,1|1,1,0]=4 739 B17R2.276976 Fc1c(ccc(c1SCC2=NCCN2)Cl)Br 62a_100011092007_100000737910 [0,1,0,0,0,1|1,1,0]=4 740 B17R2.276976 Fc1ccc(c(c1Br)NCC2=NCCN2)F 34a_100014094178_100000737910 [0,1,0,0,0,1|0,2,0]=4 741 B17R2.276976 Fc1ccc(c(c1Cl)NCC2=NCCN2)F 34a_100000062006_100000737910 [0,1,0,0,0,1|0,1,0]=3 742 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)Br 34a_100014979575_100000737910 [0,1,0,0,0,1|1,1,0]=4 743 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)Br 7a_100014979575_100000737910 [0,1,0,0,0,1|1,1,0]=4 744 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)F 34a_100000038336_100000737910 [0,1,0,0,0,1|1,1,0]=4 745 B17R2.276976 Fc1ccc(c(c1Cl)OCC2=NCCN2)F 7a_100000038336_100000737910 [0,1,0,0,0,1|1,1,0]=4 746 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)Br 62a_100000737910_200037249116 [0,1,0,0,0,1|1,1,0]=4 747 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)Br 62a_200037249116_100000737910 [0,1,0,0,0,1|1,1,0]=4 748 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)F 62a_100000737910_100010167948 [0,1,0,0,0,1|1,1,0]=4 749 B17R2.276976 Fc1ccc(c(c1Cl)SCC2=NCCN2)F 62a_100010167948_100000737910 [0,1,0,0,0,1|1,1,0]=4 750 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)Br 34a_100010008850_100000737910 [0,1,0,0,0,1|0,2,0]=4 751 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)Cl 34a_200010381624_100000737910 [0,1,0,0,0,1|0,1,0]=3 752 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)F 34a_100000037384_100000737910 [0,1,0,0,0,1|0,2,0]=4 753 B17R2.276976 Fc1ccc(c(c1F)NCC2=NCCN2)I 34a_100015763296_100000737910 [0,1,0,0,0,1|0,2,0]=4 754 B17R2.276976 Fc1ccc(c(c1NCC2=NCCN2)Cl)Cl 34a_100000061523_100000737910 [0,1,0,0,0,1|0,1,0]=3 755 B17R2.276976 Fc1ccc(c(c1NCC2=NCCN2)F)Br 34a_100025793129_100000737910 [0,1,0,0,0,1|0,2,0]=4 756 B17R2.276976 Fc1ccc(c(c1NCC2=NCCN2)F)Cl 34a_102495364764_100000737910 [0,1,0,0,0,1|0,2,0]=4 757 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)Cl)Cl 34a_100000062035_100000737910 [0,1,0,0,0,1|1,1,0]=4 758 B17R2.276976 Fc1ccc(c(c1OCC2=NCCN2)Cl)Cl 7a_100000062035_100000737910 [0,1,0,0,0,1|1,1,0]=4 759 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200015697950 [0,1,0,0,0,1|1,1,0]=4 760 B17R2.276976 Fc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_200015697950_100000737910 [0,1,0,0,0,1|1,1,0]=4 761 B17R2.276976 Fc1ncc(c(c1Cl)SCC2=NCCN2)Cl 62a_100000737910_100010116697 [0,1,0,0,0,1|2,0,0]=4 762 B17R2.276976 Fc1ncc(c(c1Cl)SCC2=NCCN2)Cl 62a_100010116697_100000737910 [0,1,0,0,0,1|2,0,0]=4 763 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Br 62a_100000737910_200010779962 [0,1,0,0,0,1|2,0,0]=4 764 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Br 62a_200010779962_100000737910 [0,1,0,0,0,1|2,0,0]=4 765 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_100000737910_200011093878 [0,1,0,0,0,1|2,0,0]=4 766 B17R2.276976 Nc1ccc(c(c1SCC2=NCCN2)Cl)Cl 62a_200011093878_100000737910 [0,1,0,0,0,1|2,0,0]=4 767 B17R2.276976 Oc1ccc(c(c1Cl)NCC2=NCCN2)Cl 34a_100016988457_100000737910 [0,1,0,0,0,1|0,0,0]=2 768 B17R2.276976 Oc1ccc(c(c1Cl)NCC2=NCCN2)Cl 7a_100016988457_100000737910 [0,1,0,0,0,1|0,0,0]=2 769 B17R2.276976 Oc1ccc(c(c1Cl)NCc2ncc[nH]2)Cl 34a_100016988457_100016991755 [0,1,0,0,0,1|0,0,2]=4 770 B17R2.276976 Oc1ccc(c(c1Cl)NCc2ncc[nH]2)Cl 7a_100016988457_100000753453 [0,1,0,0,0,1|0,0,2]=4 771 B17R2.276976 Oc1ccc(c(c1Cl)NCc2nnn[nH]2)Cl 34a_100016988457_100000765167 [0,1,0,0,0,1|2,0,0]=4 772 B17R2.276976 Oc1ccc(c(c1Cl)NCc2nnn[nH]2)Cl 7a_100016988457_100000765167 [0,1,0,0,0,1|2,0,0]=4 773 B17R2.10755 N#Cc1n[nH]c(n1)Nc2c(cccc2Cl)Cl 27a_100000210028_200010752602 [0,2,0,0,0,0|1,0,1]=4 774 B17R2.23515 Cc1ccc(c(c1Cl)Nc2ncnn2C)Cl 27a_100000210993_100000732653 [0,2,0,0,0,0|1,0,1]=4 775 B17R2.23515 Cn1ncnc1Nc2c(ccc(c2Cl)Cl)Cl 27a_103437851083_100000732653 [0,2,0,0,0,0|1,0,1]=4 776 B17R2.23515 Cn1ncnc1Nc2c(ccc(c2Cl)O)Cl 27a_100016988457_100000732653 [0,2,0,0,0,0|1,0,1]=4 777 B17R2.64751 CCn1ncnc1Nc2c(cccc2Cl)Cl 27a_100000210028_100009879425 [0,2,0,0,0,0|1,0,1]=4 778 B17R2.158234 CN(c1c(cccc1Cl)Cl)c2ncnn2C 27a_100000691019_100000732653 [0,2,0,0,0,0|1,0,1]=4 779 B15R2.65094 O=C(Nc1c(cccc1Cl)Cl)C2CC2 11a_100000210028_100000210395 [0,0,1,1,0,0|2,0,0]=4 780 B15R2.65094 O=C(Nc1c(cccc1Cl)Cl)C2CC2 1626a_100000210028_100000210395 [0,0,1,1,0,0|2,0,0]=4 781 B13R1.4453 CCCC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_100000210303 [0,0,1,0,1,0|2,0,0]=4 782 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 11a_100015525214_100011253703 [0,0,1,0,1,0|1,1,0]=4 783 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 240690a_100015525214_100011253703 [0,0,1,0,1,0|1,1,0]=4 784 B13R1.4453 CCNC(=O)c1c(cccc1Br)Cl 527a_100015525214_100011253703 [0,0,1,0,1,0|1,1,0]=4 785 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C 11a_100015525214_100000692601 [0,0,1,0,1,0|2,0,0]=4 786 B13R1.4453 CCNC(=O)c1c(cccc1Cl)C 240690a_100015525214_100000692601 [0,0,1,0,1,0|2,0,0]=4 787 B13R1.4453 CCNC(=O)c1c(cccc1Cl)Cl 11a_100015525214_100000210656 [0,0,1,0,1,0|1,0,0]=3 788 B13R1.4453 CCNC(=O)c1c(cccc1Cl)Cl 240690a_100015525214_100000210656 [0,0,1,0,1,0|1,0,0]=3 789 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 11a_100015525214_100000210369 [0,0,1,0,1,0|1,1,0]=4 790 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 240690a_100015525214_100000210369 [0,0,1,0,1,0|1,1,0]=4 791 B13R1.4453 CCNC(=O)c1c(cccc1Cl)F 527a_100015525214_100000210369 [0,0,1,0,1,0|1,1,0]=4 792 B13R1.4453 CCNC(=O)c1c(cccc1Cl)O 240690a_100015525214_100000745519 [0,0,1,0,1,0|2,0,0]=4 793 B13R1.4453 CCNC(=O)c1c(cccc1Cl)O 527a_100015525214_100000745519 [0,0,1,0,1,0|2,0,0]=4 794 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 11a_100015525214_100000702859 [0,0,1,0,1,0|1,1,0]=4 795 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 240690a_100015525214_100000702859 [0,0,1,0,1,0|1,1,0]=4 796 B13R1.4453 CCNC(=O)c1c(cccc1I)Cl 527a_100015525214_100000702859 [0,0,1,0,1,0|1,1,0]=4 797 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)Cl 2230a_100016989663_100000210202 [0,0,1,0,1,0|1,0,1]=4 798 B13R1.4453 CCN[C@H](C)c1c(cccc1Cl)Cl 34a_100016989663_100000210202 [0,0,1,0,1,0|1,0,1]=4 799 B13R1.4453 CNNC(=O)c1c(cccc1Cl)Cl 22a_100016993582_100000210656 [0,0,1,0,1,0|2,0,0]=4 800 B13R2.18 Clc1ccccc1C2=CCCC2 271570a_100000089523_100000764095 [1,0,0,0,1,0|2,0,0]=4 801 B13R2.18 Clc1ccccc1c2ncc[nH]2 271570a_100011934419_100025796157 [1,0,0,0,1,0|0,0,2]=4 802 B13R2.18 Clc1ccccc1c2ncc[nH]2 271570a_100016988920_100000764095 [1,0,0,0,1,0|0,0,2]=4 803 B13R2.5225 Clc1ccccc1NC2CCC2 34a_100000185783_100000749161 [1,0,0,0,1,0|1,0,1]=4 804 B13R2.402 Cc1cccc(c1NC2CC2)Cl 34a_100000756524_100000211595 [0,0,0,0,2,0|1,0,1]=4 805 B13R2.402 Clc1cccc(c1NC2CC2)Br 34a_100102946385_100000211595 [0,0,0,0,2,0|0,1,1]=4 806 B13R2.402 Clc1cccc(c1NC2CC2)Cl 34a_100000210028_100000211595 [0,0,0,0,2,0|0,0,1]=3 807 B13R2.402 Clc1cccc(c1OC2CC2)Cl 34a_100000211709_100000211595 [0,0,0,0,2,0|1,0,1]=4 808 B13R2.402 Clc1cccc(c1SC2CC2)Cl 62a_100000034237_100000211595 [0,0,0,0,2,0|1,0,1]=4 809 B13R2.402 Fc1cccc(c1NC2CC2)Cl 34a_100000760031_100000211595 [0,0,0,0,2,0|0,1,1]=4 810 B13R2.402 Oc1cccc(c1NC2CC2)Cl 34a_100012022510_100000211595 [0,0,0,0,2,0|1,0,1]=4 811 B15R1.30116 CCC(=NNc1c(cccc1Cl)Cl)CC 4a_100000688888_100000210860 [0,0,1,0,0,1|2,0,0]=4 812 B15R2.562 Brc1ccccc1NCC2=NCCN2 34a_100000210017_100000737910 [1,0,0,0,0,1|0,1,0]=3 813 B15R2.562 Brc1ccccc1OCC2=NCCN2 34a_100000181306_100000737910 [1,0,0,0,0,1|1,1,0]=4 814 B15R2.562 Brc1ccccc1OCC2=NCCN2 7a_100000181306_100000737910 [1,0,0,0,0,1|1,1,0]=4 815 B15R2.562 Brc1ccccc1SCC2=NCCN2 62a_100000695589_100000737910 [1,0,0,0,0,1|1,1,0]=4 816 B15R2.562 Brc1ccccc1SCC2=NCCN2 62a_100000737910_100000695589 [1,0,0,0,0,1|1,1,0]=4 817 B15R2.562 Cc1ccccc1NCC2=NCCN2 34a_100015192222_100000737910 [1,0,0,0,0,1|1,0,0]=3 818 B15R2.562 Cc1ccccc1OCC2=NCCN2 34a_100000210338_100000737910 [1,0,0,0,0,1|2,0,0]=4 819 B15R2.562 Cc1ccccc1OCC2=NCCN2 7a_100000210338_100000737910 [1,0,0,0,0,1|2,0,0]=4 820 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000210755_100000737910 [1,0,0,0,0,1|2,0,0]=4 821 B15R2.562 Cc1ccccc1SCC2=NCCN2 62a_100000737910_100000210755 [1,0,0,0,0,1|2,0,0]=4 822 B15R2.562 Clc1ccccc1NCC2=NCCN2 34a_100000185783_100000737910 [1,0,0,0,0,1|0,0,0]=2 823 B15R2.562 Clc1ccccc1NCc2ncc[nH]2 207a_100000185783_100000743867 [1,0,0,0,0,1|0,0,2]=4 824 B15R2.562 Clc1ccccc1NCc2ncc[nH]2 34a_100000185783_100016991755 [1,0,0,0,0,1|0,0,2]=4 825 B15R2.562 Clc1ccccc1NCc2nnn[nH]2 34a_100000185783_100000765167 [1,0,0,0,0,1|2,0,0]=4 826 B15R2.562 Clc1ccccc1NN=C2CCCC2 4a_100000683529_100000210133 [1,0,0,0,0,1|2,0,0]=4 827 B15R2.562 Clc1ccccc1OCC2=NCCN2 34a_100000210172_100000737910 [1,0,0,0,0,1|1,0,0]=3 828 B15R2.562 Clc1ccccc1OCC2=NCCN2 7a_100000210172_100000737910 [1,0,0,0,0,1|1,0,0]=3 829 B15R2.562 Clc1ccccc1SCC2=NCCN2 62a_100000737910_100000764095 [1,0,0,0,0,1|1,0,0]=3 830 B15R2.562 Clc1ccccc1SCC2=NCCN2 62a_100000764095_100000737910 [1,0,0,0,0,1|1,0,0]=3 831 B15R2.562 Clc1cccnc1OCC2=NCCN2 34a_100011290957_100000737910 [1,0,0,0,0,1|2,0,0]=4 832 B15R2.562 Clc1cccnc1SCC2=NCCN2 62a_100000737910_100011356963 [1,0,0,0,0,1|2,0,0]=4 833 B15R2.562 Clc1cccnc1SCC2=NCCN2 62a_100011356963_100000737910 [1,0,0,0,0,1|2,0,0]=4 834 B15R2.562 Clc1ccncc1OCC2=NCCN2 34a_100011996695_100000737910 [1,0,0,0,0,1|2,0,0]=4 835 B15R2.562 Clc1ccncc1SCC2=NCCN2 62a_100000737910_100009995489 [1,0,0,0,0,1|2,0,0]=4 836 B15R2.562 Clc1ccncc1SCC2=NCCN2 62a_100009995489_100000737910 [1,0,0,0,0,1|2,0,0]=4 837 B15R2.562 Clc1cnccc1OCC2=NCCN2 34a_100011997054_100000737910 [1,0,0,0,0,1|2,0,0]=4 838 B15R2.562 Clc1cnccc1SCC2=NCCN2 62a_100000708259_100000737910 [1,0,0,0,0,1|2,0,0]=4 839 B15R2.562 Clc1cnccc1SCC2=NCCN2 62a_100000737910_100000708259 [1,0,0,0,0,1|2,0,0]=4 840 B15R2.562 Clc1ncccc1OCC2=NCCN2 34a_100000757616_100000737910 [1,0,0,0,0,1|2,0,0]=4 841 B15R2.562 Clc1ncccc1OCC2=NCCN2 7a_100000757616_100000737910 [1,0,0,0,0,1|2,0,0]=4 842 B15R2.562 Clc1ncccc1SCC2=NCCN2 62a_100000036424_100000737910 [1,0,0,0,0,1|2,0,0]=4 843 B15R2.562 Clc1ncccc1SCC2=NCCN2 62a_100000737910_100000036424 [1,0,0,0,0,1|2,0,0]=4 844 B15R2.562 Fc1ccccc1NCC2=NCCN2 34a_100000210422_100000737910 [1,0,0,0,0,1|0,1,0]=3 845 B15R2.562 Fc1ccccc1OCC2=NCCN2 34a_100000210171_100000737910 [1,0,0,0,0,1|1,1,0]=4 846 B15R2.562 Fc1ccccc1OCC2=NCCN2 7a_100000210171_100000737910 [1,0,0,0,0,1|1,1,0]=4 847 B15R2.562 Fc1ccccc1SCC2=NCCN2 62a_100000737910_100011215700 [1,0,0,0,0,1|1,1,0]=4 848 B15R2.562 Fc1ccccc1SCC2=NCCN2 62a_100011215700_100000737910 [1,0,0,0,0,1|1,1,0]=4 849 B15R2.562 Ic1ccccc1NCC2=NCCN2 34a_100000210053_100000737910 [1,0,0,0,0,1|0,1,0]=3 850 B15R2.562 Ic1ccccc1OCC2=NCCN2 34a_100000739446_100000737910 [1,0,0,0,0,1|1,1,0]=4 851 B15R2.562 Ic1ccccc1OCC2=NCCN2 7a_100000739446_100000737910 [1,0,0,0,0,1|1,1,0]=4 852 B15R2.562 Nc1ccccc1OCC2=NCCN2 34a_100000185747_100000737910 [1,0,0,0,0,1|2,0,0]=4 853 B15R2.562 Nc1ccccc1OCC2=NCCN2 7a_100000185747_100000737910 [1,0,0,0,0,1|2,0,0]=4 854 B15R2.562 Nc1ccccc1SCC2=NCCN2 62a_100000210017_100000737910 [1,0,0,0,0,1|2,0,0]=4 855 B15R2.562 Nc1ccccc1SCC2=NCCN2 62a_100000737910_100000210017 [1,0,0,0,0,1|2,0,0]=4 856 B15R2.562 Oc1ccccc1NCC2=NCCN2 34a_100000185747_100000737910 [1,0,0,0,0,1|1,0,0]=3 857 B15R2.562 Oc1ccccc1SCC2=NCCN2 62a_100000737910_100000739446 [1,0,0,0,0,1|2,0,0]=4 858 B15R2.562 Oc1ccccc1SCC2=NCCN2 62a_100000739446_100000737910 [1,0,0,0,0,1|2,0,0]=4 859 B17R2.3933 Clc1cccc(c1NN=C2C=CCCC2)Cl 4a_100000688888_100011213375 [0,0,0,0,0,2|2,0,0]=4 860 B17R2.3933 Clc1cccc(c1NN=C2CCCCC2)Cl 4a_100000688888_100000210434 [0,0,0,0,0,2|2,0,0]=4 861 B17R2.3933 Clc1cccc(c1NN=C2CCCOC2)Cl 4a_100000688888_100000753404 [0,0,0,0,0,2|2,0,0]=4 862 B17R2.3933 Clc1cccc(c1NN=C2CCCSC2)Cl 4a_100000688888_100000057913 [0,0,0,0,0,2|2,0,0]=4 863 B17R2.3933 Clc1cccc(c1NN=C2CCOCC2)Cl 4a_100000688888_100011217826 [0,0,0,0,0,2|2,0,0]=4 864 B17R2.3933 Clc1cccc(c1NN=C2CCSCC2)Cl 4a_100000688888_100000203788 [0,0,0,0,0,2|2,0,0]=4 865 B17R2.41802 Cc1cccc(c1CNCC2=NCCN2)C 34a_100000689800_100000737910 [0,0,0,0,0,2|2,0,0]=4 866 B17R2.41802 Cc1cccc(c1CNCC2=NCCN2)F 34a_100000762012_100000737910 [0,0,0,0,0,2|1,1,0]=4 867 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)Cl 34a_100000082531_100000737910 [0,0,0,0,0,2|2,0,0]=4 868 B17R2.41802 Cc1cccc(c1COCC2=NCCN2)Cl 7a_100000082531_100000737910 [0,0,0,0,0,2|2,0,0]=4 869 B17R2.41802 Clc1cccc(c1CNCC2=NCCN2)Cl 34a_100000174884_100000737910 [0,0,0,0,0,2|0,0,0]=2 870 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 207a_100000174884_100000743867 [0,0,0,0,0,2|0,0,2]=4 871 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 207a_100000754540_100000189306 [0,0,0,0,0,2|0,0,2]=4 872 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 2230a_100000174884_100016991755 [0,0,0,0,0,2|0,0,2]=4 873 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 270004a_100000754540_100000189306 [0,0,0,0,0,2|0,0,2]=4 874 B17R2.41802 Clc1cccc(c1CNCc2ncc[nH]2)Cl 34a_100000174884_100016991755 [0,0,0,0,0,2|0,0,2]=4 875 B17R2.41802 Clc1cccc(c1CNCc2nnc[nH]2)Cl 2230a_200015183720_100000187851 [0,0,0,0,0,2|1,0,1]=4 876 B17R2.41802 Clc1cccc(c1CNCc2nnn[nH]2)Cl 34a_100000174884_100000765167 [0,0,0,0,0,2|2,0,0]=4 877 B17R2.41802 Clc1cccc(c1COCC2=NCCN2)Cl 34a_100000215722_100000737910 [0,0,0,0,0,2|1,0,0]=3 878 B17R2.41802 Clc1cccc(c1COCC2=NCCN2)Cl 7a_100000215722_100000737910 [0,0,0,0,0,2|1,0,0]=3 879 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Br 62a_100000737910_100010138402 [0,0,0,0,0,2|1,1,0]=4 880 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Br 62a_100010138402_100000737910 [0,0,0,0,0,2|1,1,0]=4 881 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Cl 62a_100000187851_100000737910 [0,0,0,0,0,2|1,0,0]=3 882 B17R2.41802 Clc1cccc(c1CSCC2=NCCN2)Cl 62a_100000737910_100000187851 [0,0,0,0,0,2|1,0,0]=3 883 B17R2.41802 Clc1cccc(c1NN=CC2=CCCC2)Cl 4a_100000688888_100000702379 [0,0,0,0,0,2|2,0,0]=4 884 B17R2.41802 Clc1cccc(c1NN=Cc2ncc[nH]2)Cl 4a_100000688888_100000743867 [0,0,0,0,0,2|0,0,2]=4 885 B17R2.41802 Clc1ccnc(c1COCC2=NCCN2)Cl 34a_200009882739_100000737910 [0,0,0,0,0,2|2,0,0]=4 886 B17R2.41802 Clc1ccnc(c1COCC2=NCCN2)Cl 7a_200009882739_100000737910 [0,0,0,0,0,2|2,0,0]=4 887 B17R2.41802 Clc1cncc(c1CSCC2=NCCN2)Cl 62a_100000737910_200009872113 [0,0,0,0,0,2|2,0,0]=4 888 B17R2.41802 Clc1cncc(c1CSCC2=NCCN2)Cl 62a_200009872113_100000737910 [0,0,0,0,0,2|2,0,0]=4 889 B17R2.41802 Fc1cccc(c1CNCC2=NCCN2)Br 34a_100012349121_100000737910 [0,0,0,0,0,2|0,2,0]=4 890 B17R2.41802 Fc1cccc(c1CNCC2=NCCN2)Cl 34a_100000174883_100000737910 [0,0,0,0,0,2|0,1,0]=3 891 B17R2.41802 Fc1cccc(c1CNCC2=NCCN2)F 34a_100000688400_100000737910 [0,0,0,0,0,2|0,2,0]=4 892 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Cl 34a_100000215723_100000737910 [0,0,0,0,0,2|1,1,0]=4 893 B17R2.41802 Fc1cccc(c1COCC2=NCCN2)Cl 7a_100000215723_100000737910 [0,0,0,0,0,2|1,1,0]=4 894 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)Cl 62a_100000187852_100000737910 [0,0,0,0,0,2|1,1,0]=4 895 B17R2.41802 Fc1cccc(c1CSCC2=NCCN2)Cl 62a_100000737910_100000187852 [0,0,0,0,0,2|1,1,0]=4 896 B17R2.41802 Nc1cccc(c1COCC2=NCCN2)Cl 34a_100011916388_100000737910 [0,0,0,0,0,2|2,0,0]=4