0 B23R2.249619 C=CCCCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100011933949_100000090176 [0,0,0,0,0,0|1,0,2]=3 1 B23R2.249619 CCC#CCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_200000036426_100000090176 [0,0,0,0,0,0|1,0,2]=3 2 B23R2.249619 CCCCCCCCCCNc1cc(=O)n2ccccc2n1 27a_100000684558_100000707704 [0,0,0,0,0,0|2,0,1]=3 3 B23R2.249619 CCCCCCCCCCNc1cc(c2cnccc2c1)F 27a_100000684558_100011068762 [0,0,0,0,0,0|4,0,0]=4 4 B23R2.249619 CCCCCCCCCCNc1nc(c2ccccc2n1)C 27a_100000684558_100000046098 [0,0,0,0,0,0|3,0,1]=4 5 B23R2.249619 CCCCCCCCCCNc1nc(c2ccccc2n1)N 27a_100000684558_100000690328 [0,0,0,0,0,0|3,0,1]=4 6 B23R2.249619 CCCCCCCCCCNc1nc(c2ccccc2n1)O 27a_100000684558_100000187174 [0,0,0,0,0,0|2,0,2]=4 7 B23R2.249619 CCCCCCCCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000210320 [0,0,0,0,0,0|2,0,1]=3 8 B23R2.249619 CCCCCCCCCCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210320 [0,0,0,0,0,0|4,0,0]=4 9 B23R2.249619 CCCCCCCCCCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210320 [0,0,0,0,0,0|4,0,0]=4 10 B23R2.249619 CCCCCCCCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210320 [0,0,0,0,0,0|4,0,0]=4 11 B23R2.249619 CCCCCCCCCCSc1nc(c2ccccc2n1)N 62a_100000690328_100000210320 [0,0,0,0,0,0|3,0,1]=4 12 B23R2.249619 CCCCCCCCCNCc1cc(=O)n2ccccc2n1 2230a_100000212291_100000017730 [0,0,0,0,0,0|2,0,1]=3 13 B23R2.249619 CCCCCCCCCNCc1cc(=O)n2ccccc2n1 34a_100000212291_100000017730 [0,0,0,0,0,0|2,0,1]=3 14 B23R2.249619 CCCCCCCCCNCc1nc(c2ccccc2n1)C 2230a_100000212291_100000736427 [0,0,0,0,0,0|3,0,1]=4 15 B23R2.249619 CCCCCCCCCNCc1nc(c2ccccc2n1)C 34a_100000212291_100000736427 [0,0,0,0,0,0|3,0,1]=4 16 B23R2.249619 CCCCCCCCCNCc1nc2ccccc2c(=O)[nH]1 2230a_100000212291_100000182789 [0,0,0,0,0,0|2,0,1]=3 17 B23R2.249619 CCCCCCCCCOCc1cc(=O)n2ccccc2n1 34a_100000210712_100000017730 [0,0,0,0,0,0|2,0,1]=3 18 B23R2.249619 CCCCCCCCCOCc1cc(=O)n2ccccc2n1 7a_100000210712_100000017730 [0,0,0,0,0,0|2,0,1]=3 19 B23R2.249619 CCCCCCCCCOCc1nc(c2ccccc2n1)C 34a_100000210712_100000736427 [0,0,0,0,0,0|3,0,1]=4 20 B23R2.249619 CCCCCCCCCOCc1nc(c2ccccc2n1)C 7a_100000210712_100000736427 [0,0,0,0,0,0|3,0,1]=4 21 B23R2.249619 CCCCCCCCCOCc1nc(c2ccccc2n1)Cl 7a_100000210712_100010180038 [0,0,0,0,0,0|3,0,1]=4 22 B23R2.249619 CCCCCCCCCOCc1nc2ccccc2c(=O)[nH]1 7a_100000210712_100000182789 [0,0,0,0,0,0|2,0,1]=3 23 B23R2.249619 CCCCCCCCCSCc1cc(=O)n2ccccc2n1 62a_100000017730_100000210670 [0,0,0,0,0,0|2,0,1]=3 24 B23R2.249619 CCCCCCCCCSCc1nc(c2ccccc2n1)C 62a_100000736427_100000210670 [0,0,0,0,0,0|3,0,1]=4 25 B23R2.249619 CCCCCCOCCOCc1cc(=O)n2ccccc2n1 34a_100000691444_100000017730 [0,0,0,0,0,0|3,0,1]=4 26 B23R2.249619 CCCCCCOCCOCc1cc(=O)n2ccccc2n1 7a_100000691444_100000017730 [0,0,0,0,0,0|3,0,1]=4 27 B23R2.249619 CCCCCCOCCOCc1nc2ccccc2c(=O)[nH]1 7a_100000691444_100000182789 [0,0,0,0,0,0|3,0,1]=4 28 B23R2.249619 CCCCNCCCCOCc1cc(=O)n2ccccc2n1 34a_200011216965_100000017730 [0,0,0,0,0,0|3,0,1]=4 29 B23R2.249619 CCCCOCCCCOCc1cc(=O)n2ccccc2n1 34a_200000760531_100000017730 [0,0,0,0,0,0|3,0,1]=4 30 B23R2.249619 CCCCOCCCCOCc1cc(=O)n2ccccc2n1 7a_200000760531_100000017730 [0,0,0,0,0,0|3,0,1]=4 31 B23R2.249619 CCCCOCCCCOCc1nc2ccccc2c(=O)[nH]1 7a_200000760531_100000182789 [0,0,0,0,0,0|3,0,1]=4 32 B23R2.249619 COCCOCCOCCSc1cc(=O)c2ccccc2[nH]1 62a_100013367474_100000090176 [0,0,0,0,0,0|4,0,0]=4 33 B23R2.249619 Cc1cc(nc2c1cccc2)NCCCCCCCCCO 27a_100000078944_100000184993 [0,0,0,0,0,0|3,0,1]=4 34 B23R2.249619 Cc1cc(nc2c1cccc2)SCCCCCCCCCO 62a_100009813782_100000184993 [0,0,0,0,0,0|3,0,1]=4 35 B23R2.249619 Cc1cc(nc2c1cccc2)SCCCCCCCCCO 62a_100012354972_100009813782 [0,0,0,0,0,0|3,0,1]=4 36 B23R2.249619 NCCCCCCCCOCc1cc(=O)n2ccccc2n1 34a_102515433106_100000017730 [0,0,0,0,0,0|3,0,1]=4 37 B23R2.249619 Nc1cc(cc2c1cccc2)SCCCCCCCCCO 62a_100009813782_100010171453 [0,0,0,0,0,0|4,0,0]=4 38 B23R2.249619 Nc1cc(cc2c1cccc2)SCCCCCCCCCO 62a_100010171453_100009813782 [0,0,0,0,0,0|4,0,0]=4 39 B23R2.249619 Nc1cc(nc2c1cccc2)SCCCCCCCCCO 62a_100010197925_100009813782 [0,0,0,0,0,0|3,0,1]=4 40 B23R2.249619 O=c1[nH]c(cc2c1cccc2)SCCCCCCCCCO 62a_100009813782_200015811170 [0,0,0,0,0,0|4,0,0]=4 41 B23R2.249619 O=c1[nH]c(nc2c1cccc2)CNCCCCCCCCO 2230a_102515433106_100000182789 [0,0,0,0,0,0|3,0,1]=4 42 B23R2.249619 O=c1[nH]c(nc2c1cccc2)COCCCCCCCCBr 7a_100009813846_100000182789 [0,0,0,0,0,0|3,0,1]=4 43 B23R2.249619 O=c1[nH]c(nc2c1cccc2)COCCCCCCCCCl 7a_100000033203_100000182789 [0,0,0,0,0,0|3,0,1]=4 44 B23R2.249619 O=c1cc([nH]c2c1cccc2)SCCCCCCCCCO 62a_100009813782_100000090176 [0,0,0,0,0,0|2,0,0]=2 45 B23R2.249619 O=c1cc(nc2n1cccc2)CNCCCCCCCCO 2230a_102515433106_100000017730 [0,0,0,0,0,0|3,0,1]=4 46 B23R2.249619 O=c1cc(nc2n1cccc2)CNCCCCCCCCO 34a_102515433106_100000017730 [0,0,0,0,0,0|3,0,1]=4 47 B23R2.249619 O=c1cc(nc2n1cccc2)COCCCCCCCCBr 34a_100009813846_100000017730 [0,0,0,0,0,0|3,0,1]=4 48 B23R2.249619 O=c1cc(nc2n1cccc2)COCCCCCCCCBr 7a_100009813846_100000017730 [0,0,0,0,0,0|3,0,1]=4 49 B23R2.249619 O=c1cc(nc2n1cccc2)COCCCCCCCCCl 34a_100000033203_100000017730 [0,0,0,0,0,0|3,0,1]=4 50 B23R2.249619 O=c1cc(nc2n1cccc2)COCCCCCCCCCl 7a_100000033203_100000017730 [0,0,0,0,0,0|3,0,1]=4 51 B23R2.249619 O=c1cc(nc2n1cccc2)CSCCCCCCCCO 62a_100000017730_100000033203 [0,0,0,0,0,0|3,0,1]=4 52 B23R2.249619 O=c1cc(nc2n1cccc2)CSCCCCCCCCO 62a_100000033203_100000017730 [0,0,0,0,0,0|3,0,1]=4 53 B23R2.249619 O=c1cc(nc2n1cccc2)NCCCCCCCCCO 27a_100000078944_100000707704 [0,0,0,0,0,0|3,0,1]=4 54 B23R2.249619 O=c1cc(nc2n1cccc2)OCCCCCCCCCO 34a_100000751361_100009813782 [0,0,0,0,0,0|3,0,1]=4 55 B23R2.249619 O=c1cc(nc2n1cccc2)SCCCCCCCCCO 62a_100009813782_100000707704 [0,0,0,0,0,0|3,0,1]=4 56 B23R2.249619 OCCCCCCCCCNc1cc(c2ccccc2c1)Br 34a_100010089974_100009813782 [0,0,0,0,0,0|4,0,0]=4 57 B23R2.249619 OCCCCCCCCCNc1cc(c2ccccc2c1)Br 7a_100010089974_100009813782 [0,0,0,0,0,0|4,0,0]=4 58 B23R2.249619 OCCCCCCCCCOc1cc(c2ccccc2c1)Br 34a_100010001680_100009813782 [0,0,0,0,0,0|4,0,0]=4 59 B23R2.249619 OCCCCCCCCCOc1cc(c2ccccc2c1)Br 7a_100010001680_100009813782 [0,0,0,0,0,0|4,0,0]=4 60 B23R2.249619 OCCCCCCCCCSc1cc(c2ccccc2c1)O 62a_100009813782_100010089979 [0,0,0,0,0,0|3,0,1]=4 61 B22R2.123365 BrCCCCCCCCOCc1ccc2ccccc2n1 34a_100009813846_100000737579 [1,0,0,0,0,0|2,0,1]=4 62 B22R2.123365 BrCCCCCCCCOCc1ccc2ccccc2n1 7a_100009813846_100000737579 [1,0,0,0,0,0|2,0,1]=4 63 B22R2.123365 CCCCCCCCCCNc1ccc2ccccc2n1 27a_100000684558_100011291633 [1,0,0,0,0,0|1,0,1]=3 64 B22R2.123365 CCCCCCCCCCNc1ccc2cccnc2c1 34a_100102887122_100000210320 [1,0,0,0,0,0|3,0,0]=4 65 B22R2.123365 CCCCCCCCCCNc1ccc2cccnc2n1 27a_100000684558_100000075685 [1,0,0,0,0,0|2,0,1]=4 66 B22R2.123365 CCCCCCCCCCNc1ccc2ccncc2n1 27a_100000684558_100000020162 [1,0,0,0,0,0|2,0,1]=4 67 B22R2.123365 CCCCCCCCCCNc1ccc2cnccc2c1 34a_100000039641_100000210320 [1,0,0,0,0,0|3,0,0]=4 68 B22R2.123365 CCCCCCCCCCNc1ccc2ncccc2c1 34a_100011198106_100000210320 [1,0,0,0,0,0|3,0,0]=4 69 B22R2.123365 CCCCCCCCCCNc1ccc2ncccc2n1 27a_100000684558_100000073381 [1,0,0,0,0,0|2,0,1]=4 70 B22R2.123365 CCCCCCCCCCNc1cnc2ccccc2n1 27a_100000684558_100000756483 [1,0,0,0,0,0|2,0,1]=4 71 B22R2.123365 CCCCCCCCCCNc1ncc2ccccc2n1 27a_100000684558_100000097389 [1,0,0,0,0,0|2,0,1]=4 72 B22R2.123365 CCCCCCCCCCOc1ccc2cccnc2c1 34a_100011216045_100000210320 [1,0,0,0,0,0|3,0,0]=4 73 B22R2.123365 CCCCCCCCCCOc1ccc2ccncc2c1 7a_100000752006_100000210320 [1,0,0,0,0,0|3,0,0]=4 74 B22R2.123365 CCCCCCCCCCOc1ccc2cnccc2c1 34a_100000046372_100000210320 [1,0,0,0,0,0|3,0,0]=4 75 B22R2.123365 CCCCCCCCCCOc1ccc2cnccc2c1 7a_100000046372_100000210320 [1,0,0,0,0,0|3,0,0]=4 76 B22R2.123365 CCCCCCCCCCOc1ccc2ncccc2c1 34a_100011215586_100000210320 [1,0,0,0,0,0|3,0,0]=4 77 B22R2.123365 CCCCCCCCCCOc1ccc2ncccc2c1 7a_100011215586_100000210320 [1,0,0,0,0,0|3,0,0]=4 78 B22R2.123365 CCCCCCCCCCOc1cnc2ccccc2c1 34a_100011934006_100000210320 [1,0,0,0,0,0|3,0,0]=4 79 B22R2.123365 CCCCCCCCCCOc1cnc2ccccc2c1 7a_100011934006_100000210320 [1,0,0,0,0,0|3,0,0]=4 80 B22R2.123365 CCCCCCCCCCSc1ccc2cccnc2n1 62a_100000075685_100000210320 [1,0,0,0,0,0|2,0,1]=4 81 B22R2.123365 CCCCCCCCCCSc1cnc2ccccc2n1 62a_100000756483_100000210320 [1,0,0,0,0,0|2,0,1]=4 82 B22R2.123365 CCCCCCCCCNCc1cc2ccccc2cn1 207a_100000212291_100000059776 [1,0,0,0,0,0|3,0,0]=4 83 B22R2.123365 CCCCCCCCCNCc1cc2ccccc2cn1 2230a_100000212291_100009869231 [1,0,0,0,0,0|3,0,0]=4 84 B22R2.123365 CCCCCCCCCNCc1cc2ccccc2cn1 270004a_100000212291_100000059776 [1,0,0,0,0,0|3,0,0]=4 85 B22R2.123365 CCCCCCCCCNCc1cc2ccccc2cn1 34a_100000212291_100009869231 [1,0,0,0,0,0|3,0,0]=4 86 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2c1 207a_100000212291_100000211584 [1,0,0,0,0,0|2,0,0]=3 87 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2c1 2230a_100000212291_100011216711 [1,0,0,0,0,0|2,0,0]=3 88 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100011214924 [1,0,0,0,0,0|2,0,0]=3 89 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2c1 270004a_100000212291_100000211584 [1,0,0,0,0,0|2,0,0]=3 90 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2c1 34a_100000212291_100011216711 [1,0,0,0,0,0|2,0,0]=3 91 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2c1 34a_100000739491_100011214924 [1,0,0,0,0,0|2,0,0]=3 92 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2n1 207a_100000212291_100000759686 [1,0,0,0,0,0|1,0,1]=3 93 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2n1 2230a_100000212291_100000737579 [1,0,0,0,0,0|1,0,1]=3 94 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2n1 270004a_100000212291_100000759686 [1,0,0,0,0,0|1,0,1]=3 95 B22R2.123365 CCCCCCCCCNCc1ccc2ccccc2n1 34a_100000212291_100000737579 [1,0,0,0,0,0|1,0,1]=3 96 B22R2.123365 CCCCCCCCCNCc1ccc2cccnc2c1 207a_100000212291_100011784159 [1,0,0,0,0,0|3,0,0]=4 97 B22R2.123365 CCCCCCCCCNCc1ccc2cccnc2c1 270004a_100000212291_100011784159 [1,0,0,0,0,0|3,0,0]=4 98 B22R2.123365 CCCCCCCCCNCc1ccc2cnccc2c1 207a_100000212291_100000068276 [1,0,0,0,0,0|3,0,0]=4 99 B22R2.123365 CCCCCCCCCNCc1ccc2cnccc2c1 2230a_100000212291_100020605334 [1,0,0,0,0,0|3,0,0]=4 100 B22R2.123365 CCCCCCCCCNCc1ccc2cnccc2c1 270004a_100000212291_100000068276 [1,0,0,0,0,0|3,0,0]=4 101 B22R2.123365 CCCCCCCCCNCc1ccc2cnccc2c1 34a_100000212291_100020605334 [1,0,0,0,0,0|3,0,0]=4 102 B22R2.123365 CCCCCCCCCNCc1ccc2ncccc2c1 207a_100000212291_100000211315 [1,0,0,0,0,0|3,0,0]=4 103 B22R2.123365 CCCCCCCCCNCc1ccc2ncccc2c1 2230a_100000212291_100000703657 [1,0,0,0,0,0|3,0,0]=4 104 B22R2.123365 CCCCCCCCCNCc1ccc2ncccc2c1 270004a_100000212291_100000211315 [1,0,0,0,0,0|3,0,0]=4 105 B22R2.123365 CCCCCCCCCNCc1ccc2ncccc2c1 34a_100000212291_100000703657 [1,0,0,0,0,0|3,0,0]=4 106 B22R2.123365 CCCCCCCCCNCc1ccc2ncccc2c1 34a_100000238500_100011214924 [1,0,0,0,0,0|3,0,0]=4 107 B22R2.123365 CCCCCCCCCNCc1cnc2ccccc2c1 207a_100000212291_100000750898 [1,0,0,0,0,0|3,0,0]=4 108 B22R2.123365 CCCCCCCCCNCc1cnc2ccccc2c1 270004a_100000212291_100000750898 [1,0,0,0,0,0|3,0,0]=4 109 B22R2.123365 CCCCCCCCCNCc1cnc2ccccc2c1 34a_100000742225_100011214924 [1,0,0,0,0,0|3,0,0]=4 110 B22R2.123365 CCCCCCCCCNCc1cnc2ccccc2n1 270004a_100000212291_100000204677 [1,0,0,0,0,0|2,0,1]=4 111 B22R2.123365 CCCCCCCCCNCc1ncc2ccccc2n1 34a_100000212291_100009868571 [1,0,0,0,0,0|2,0,1]=4 112 B22R2.123365 CCCCCCCCCOCc1cc2ccccc2cn1 34a_100000210712_100009869231 [1,0,0,0,0,0|3,0,0]=4 113 B22R2.123365 CCCCCCCCCOCc1cc2ccccc2cn1 7a_100000210712_100009869231 [1,0,0,0,0,0|3,0,0]=4 114 B22R2.123365 CCCCCCCCCOCc1ccc2ccccc2n1 34a_100000210712_100000737579 [1,0,0,0,0,0|1,0,1]=3 115 B22R2.123365 CCCCCCCCCOCc1ccc2ccccc2n1 7a_100000210712_100000737579 [1,0,0,0,0,0|1,0,1]=3 116 B22R2.123365 CCCCCCCCCOCc1ccc2cnccc2c1 34a_100000210712_100020605334 [1,0,0,0,0,0|3,0,0]=4 117 B22R2.123365 CCCCCCCCCOCc1ccc2cnccc2c1 7a_100000210712_100020605334 [1,0,0,0,0,0|3,0,0]=4 118 B22R2.123365 CCCCCCCCCOCc1ccc2ncccc2c1 34a_100000210712_100000703657 [1,0,0,0,0,0|3,0,0]=4 119 B22R2.123365 CCCCCCCCCOCc1ccc2ncccc2c1 34a_100011315636_100011214924 [1,0,0,0,0,0|3,0,0]=4 120 B22R2.123365 CCCCCCCCCOCc1ccc2ncccc2c1 7a_100000210712_100000703657 [1,0,0,0,0,0|3,0,0]=4 121 B22R2.123365 CCCCCCCCCOCc1cnc2ccccc2c1 34a_100011258773_100011214924 [1,0,0,0,0,0|3,0,0]=4 122 B22R2.123365 CCCCCCCCCOCc1cnc2ccccc2n1 7a_100000210712_200000751123 [1,0,0,0,0,0|2,0,1]=4 123 B22R2.123365 CCCCCCCCCOCc1ncc2ccccc2n1 34a_100000210712_100009868571 [1,0,0,0,0,0|2,0,1]=4 124 B22R2.123365 CCCCCCCCCOCc1ncc2ccccc2n1 7a_100000210712_100009868571 [1,0,0,0,0,0|2,0,1]=4 125 B22R2.123365 CCCCCCCCCSCc1cnc2ccccc2n1 62a_200000751123_100000210670 [1,0,0,0,0,0|2,0,1]=4 126 B22R2.123365 CCCCCCCCCSCc1ncc2ccccc2n1 62a_100009868571_100000210670 [1,0,0,0,0,0|2,0,1]=4 127 B22R2.123365 CCCCCCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210759 [1,0,0,0,0,0|2,0,0]=3 128 B22R2.123365 CCCCCCCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210759 [1,0,0,0,0,0|2,0,0]=3 129 B22R2.123365 CCCCCCCCOCCc1ccc2ccccc2c1 34a_100000755654_100000210759 [1,0,0,0,0,0|2,0,0]=3 130 B22R2.123365 CCCCCCCCOCCc1ccc2ccccc2c1 7a_100000755654_100000210759 [1,0,0,0,0,0|2,0,0]=3 131 B22R2.123365 CCCCCCCCOCCc1ccc2ccccc2n1 34a_100011996444_100000210759 [1,0,0,0,0,0|1,0,1]=3 132 B22R2.123365 CCCCCCCOCCOc1ccc2ccccc2c1 34a_200011219602_100000210614 [1,0,0,0,0,0|3,0,0]=4 133 B22R2.123365 CCCCCCCOCCOc1ccc2ccccc2c1 7a_200011219602_100000210614 [1,0,0,0,0,0|3,0,0]=4 134 B22R2.123365 CCCCCCNCCCOc1ccc2ccccc2c1 2230a_100000210581_100000750887 [1,0,0,0,0,0|3,0,0]=4 135 B22R2.123365 CCCCCCOCCCOc1ccc2ccccc2c1 34a_100000210259_100000750887 [1,0,0,0,0,0|3,0,0]=4 136 B22R2.123365 CCCCCCOCCCOc1ccc2ccccc2c1 7a_100000210259_100000750887 [1,0,0,0,0,0|3,0,0]=4 137 B22R2.123365 CCCCCCOCCOCc1ccc2ccccc2c1 34a_100000691444_100011216711 [1,0,0,0,0,0|3,0,0]=4 138 B22R2.123365 CCCCCCOCCOCc1ccc2ccccc2c1 7a_100000691444_100011216711 [1,0,0,0,0,0|3,0,0]=4 139 B22R2.123365 CCCCCCOCCOCc1ccc2ccccc2n1 34a_100000691444_100000737579 [1,0,0,0,0,0|2,0,1]=4 140 B22R2.123365 CCCCCCOCCOCc1ccc2ccccc2n1 7a_100000691444_100000737579 [1,0,0,0,0,0|2,0,1]=4 141 B22R2.123365 CCCCCCSCCCOc1ccc2ccccc2c1 62a_100000210314_100000750887 [1,0,0,0,0,0|3,0,0]=4 142 B22R2.123365 CCCCCCSCCCOc1ccc2ccccc2c1 62a_100000750887_100000210757 [1,0,0,0,0,0|3,0,0]=4 143 B22R2.123365 CCCCNCCCCOCc1ccc2ccccc2c1 34a_200011216965_100011216711 [1,0,0,0,0,0|3,0,0]=4 144 B22R2.123365 CCCCNCCCCOCc1ccc2ccccc2n1 34a_200011216965_100000737579 [1,0,0,0,0,0|2,0,1]=4 145 B22R2.123365 CCCCOCCCCOCc1ccc2ccccc2c1 34a_200000760531_100011216711 [1,0,0,0,0,0|3,0,0]=4 146 B22R2.123365 CCCCOCCCCOCc1ccc2ccccc2c1 7a_200000760531_100011216711 [1,0,0,0,0,0|3,0,0]=4 147 B22R2.123365 CCCCOCCCCOCc1ccc2ccccc2n1 34a_200000760531_100000737579 [1,0,0,0,0,0|2,0,1]=4 148 B22R2.123365 CCCCOCCCCOCc1ccc2ccccc2n1 7a_200000760531_100000737579 [1,0,0,0,0,0|2,0,1]=4 149 B22R2.123365 COCCCCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011998445 [1,0,0,0,0,0|3,0,0]=4 150 B22R2.123365 COCCCCCCNCCc1ccc2ccccc2c1 34a_100000746582_100011998445 [1,0,0,0,0,0|3,0,0]=4 151 B22R2.123365 COCCCCCCOCCc1ccc2ccccc2c1 34a_100000755654_100011998445 [1,0,0,0,0,0|3,0,0]=4 152 B22R2.123365 COCCCCCCOCCc1ccc2ccccc2c1 7a_100000755654_100011998445 [1,0,0,0,0,0|3,0,0]=4 153 B22R2.123365 COCCCCCCOCCc1ccc2ccccc2n1 34a_100011996444_100011998445 [1,0,0,0,0,0|2,0,1]=4 154 B22R2.123365 ClCCCCCCCCOCc1ccc2ccccc2c1 34a_100000033203_100011216711 [1,0,0,0,0,0|3,0,0]=4 155 B22R2.123365 ClCCCCCCCCOCc1ccc2ccccc2c1 7a_100000033203_100011216711 [1,0,0,0,0,0|3,0,0]=4 156 B22R2.123365 ClCCCCCCCCOCc1ccc2ccccc2n1 34a_100000033203_100000737579 [1,0,0,0,0,0|2,0,1]=4 157 B22R2.123365 ClCCCCCCCCOCc1ccc2ccccc2n1 7a_100000033203_100000737579 [1,0,0,0,0,0|2,0,1]=4 158 B22R2.123365 NCCCCCCCCOCc1ccc2ccccc2c1 34a_102515433106_100011216711 [1,0,0,0,0,0|3,0,0]=4 159 B22R2.123365 NCCCCCCCCOCc1ccc2ccccc2n1 34a_102515433106_100000737579 [1,0,0,0,0,0|2,0,1]=4 160 B22R2.123365 OCCCCCCCCCNc1ccc2ccccc2c1 34a_100000211940_100009813782 [1,0,0,0,0,0|3,0,0]=4 161 B22R2.123365 OCCCCCCCCCNc1ccc2ccccc2c1 7a_100000211940_100009813782 [1,0,0,0,0,0|3,0,0]=4 162 B22R2.123365 OCCCCCCCCCNc1ccc2ccccc2n1 27a_100000078944_100011291633 [1,0,0,0,0,0|2,0,1]=4 163 B22R2.123365 OCCCCCCCCCOc1ccc2ccccc2c1 34a_100000185828_100009813782 [1,0,0,0,0,0|3,0,0]=4 164 B22R2.123365 OCCCCCCCCCOc1ccc2ccccc2c1 7a_100000185828_100009813782 [1,0,0,0,0,0|3,0,0]=4 165 B22R2.123365 OCCCCCCCCCSc1ccc2ccccc2c1 62a_100009813782_100000233703 [1,0,0,0,0,0|3,0,0]=4 166 B22R2.123365 OCCCCCCCCCSc1ccc2ccccc2n1 62a_100009813782_100011291633 [1,0,0,0,0,0|2,0,1]=4 167 B22R2.123365 OCCCCCCCCCSc1ccc2ccccc2n1 62a_100011291633_100009813782 [1,0,0,0,0,0|2,0,1]=4 168 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2c1 207a_102515433106_100000211584 [1,0,0,0,0,0|3,0,0]=4 169 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000033203 [1,0,0,0,0,0|3,0,0]=4 170 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2c1 2230a_102515433106_100011216711 [1,0,0,0,0,0|3,0,0]=4 171 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2c1 270004a_102515433106_100000211584 [1,0,0,0,0,0|3,0,0]=4 172 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2c1 34a_100000739491_100000033203 [1,0,0,0,0,0|3,0,0]=4 173 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2c1 34a_102515433106_100011216711 [1,0,0,0,0,0|3,0,0]=4 174 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2n1 207a_102515433106_100000759686 [1,0,0,0,0,0|2,0,1]=4 175 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2n1 2230a_102515433106_100000737579 [1,0,0,0,0,0|2,0,1]=4 176 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2n1 270004a_102515433106_100000759686 [1,0,0,0,0,0|2,0,1]=4 177 B22R2.123365 OCCCCCCCCNCc1ccc2ccccc2n1 34a_102515433106_100000737579 [1,0,0,0,0,0|2,0,1]=4 178 B22R2.123365 OCCCCCCCCOCc1ccc2ccccc2c1 34a_100011215330_100000033203 [1,0,0,0,0,0|3,0,0]=4 179 B22R2.123365 OCCCCCCCCOCc1ccc2ccccc2c1 7a_100011215330_100000033203 [1,0,0,0,0,0|3,0,0]=4 180 B22R2.123365 OCCCCCCCCSCc1ccc2ccccc2c1 62a_100000033203_100011216711 [1,0,0,0,0,0|3,0,0]=4 181 B22R2.123365 OCCCCCCCCSCc1ccc2ccccc2c1 62a_100011216711_100000033203 [1,0,0,0,0,0|3,0,0]=4 182 B22R2.123365 OCCCCCCCCSCc1ccc2ccccc2n1 62a_100000033203_100000737579 [1,0,0,0,0,0|2,0,1]=4 183 B22R2.123365 OCCCCCCCCSCc1ccc2ccccc2n1 62a_100000737579_100000033203 [1,0,0,0,0,0|2,0,1]=4 184 B22R2.123365 OCCCCCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000760002 [1,0,0,0,0,0|3,0,0]=4 185 B22R2.123365 OCCCCCCCNCCc1ccc2ccccc2c1 34a_100000746582_100000760002 [1,0,0,0,0,0|3,0,0]=4 186 B22R2.123365 OCCCCCCCOCCc1ccc2ccccc2c1 34a_100000755654_100000760002 [1,0,0,0,0,0|3,0,0]=4 187 B22R2.123365 OCCCCCCCOCCc1ccc2ccccc2c1 7a_100000755654_100000760002 [1,0,0,0,0,0|3,0,0]=4 188 B22R2.123365 OCCCCCCCOCCc1ccc2ccccc2n1 34a_100011996444_100000760002 [1,0,0,0,0,0|2,0,1]=4 189 B22R2.679782 C#CCCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100153394163_100000090176 [1,0,0,0,0,0|1,0,2]=4 190 B22R2.679782 C=CCCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100012355270_100000090176 [1,0,0,0,0,0|1,0,2]=4 191 B22R2.679782 CCCCC#CCCCSc1cc(=O)c2ccccc2[nH]1 62a_200000047210_100000090176 [1,0,0,0,0,0|1,0,2]=4 192 B22R2.679782 CCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 271570a_100000061613_100000090176 [1,0,0,0,0,0|0,0,0]=1 193 B22R2.679782 CCCCCCCCCCc1cc(=O)n2ccccc2n1 271570a_100000061613_100000707704 [1,0,0,0,0,0|1,0,1]=3 194 B22R2.679782 CCCCCCCCCCc1cc(c2ccccc2n1)N 271570a_100000061613_100010197925 [1,0,0,0,0,0|1,0,1]=3 195 B22R2.679782 CCCCCCCCCCc1cc(c2cccnc2c1)N 271570a_100000061613_200010263263 [1,0,0,0,0,0|3,0,0]=4 196 B22R2.679782 CCCCCCCCCCc1cc(c2ncccc2c1)N 271570a_100000061613_100009814519 [1,0,0,0,0,0|3,0,0]=4 197 B22R2.679782 CCCCCCCCCCc1cc(c2ncccc2c1)O 271570a_100000061613_100010248853 [1,0,0,0,0,0|2,0,1]=4 198 B22R2.679782 CCCCCCCCCCc1cc2ccccc2[n+](c1)[O-] 271570a_100000061613_200010000521 [1,0,0,0,0,0|2,0,1]=4 199 B22R2.679782 CCCCCCCCCCc1cc2ccccc2c(n1)N 271570a_100000061613_100009957331 [1,0,0,0,0,0|3,0,0]=4 200 B22R2.679782 CCCCCCCCCCc1nc(c2ccccc2n1)C 271570a_100000061613_100000046098 [1,0,0,0,0,0|2,0,1]=4 201 B22R2.679782 CCCCCCCCCNc1cc(=O)n2ccccc2n1 27a_100000212291_100000707704 [1,0,0,0,0,0|2,0,1]=4 202 B22R2.679782 CCCCCCCCCNc1cc(c2ccccc2n1)C 27a_100000212291_100000184993 [1,0,0,0,0,0|2,0,1]=4 203 B22R2.679782 CCCCCCCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100011214924 [1,0,0,0,0,0|2,0,1]=4 204 B22R2.679782 CCCCCCCCCSc1cc(c2ccccc2n1)N 62a_100010197925_100000210670 [1,0,0,0,0,0|2,0,1]=4 205 B22R2.679782 CCCCCCCCNCc1cc(=O)n2ccccc2n1 2230a_100000229939_100000017730 [1,0,0,0,0,0|2,0,1]=4 206 B22R2.679782 CCCCCCCCNCc1cc(=O)n2ccccc2n1 34a_100000229939_100000017730 [1,0,0,0,0,0|2,0,1]=4 207 B22R2.679782 CCCCCCCCNCc1nc2ccccc2c(=O)[nH]1 2230a_100000229939_100000182789 [1,0,0,0,0,0|2,0,1]=4 208 B22R2.679782 CCCCCCCCOCc1cc(=O)n2ccccc2n1 34a_100000210232_100000017730 [1,0,0,0,0,0|2,0,1]=4 209 B22R2.679782 CCCCCCCCOCc1cc(=O)n2ccccc2n1 7a_100000210232_100000017730 [1,0,0,0,0,0|2,0,1]=4 210 B22R2.679782 CCCCCCCCOCc1nc2ccccc2c(=O)[nH]1 7a_100000210232_100000182789 [1,0,0,0,0,0|2,0,1]=4 211 B22R2.679782 CCCCCCCCSCc1cc(=O)n2ccccc2n1 62a_100000017730_100000210317 [1,0,0,0,0,0|2,0,1]=4 212 B22R2.679782 CCCCCCCCSCc1cc(=O)n2ccccc2n1 62a_100000210759_100000017730 [1,0,0,0,0,0|2,0,1]=4 213 B22R2.679782 O=c1cc([nH]c2c1cccc2)SCCCCCCCCO 62a_100000033203_100000090176 [1,0,0,0,0,0|2,0,0]=3 214 B24R2.315673 CCCCCCCCCCNc1cc(c2ccccc2n1)OC 27a_100000684558_200010892118 [0,1,0,0,0,0|1,0,2]=4 215 B24R2.3928776 C=CCCCCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100009814027_100000090176 [0,1,0,0,0,0|0,0,2]=3 216 B24R2.3928776 CCCCCCCCCCCCc1cc(=O)c2ccccc2[nH]1 271570a_100011290949_100000090176 [0,1,0,0,0,0|0,0,0]=1 217 B24R2.3928776 CCCCCCCCCCCCc1cc(=O)n2ccccc2n1 271570a_100011290949_100000707704 [0,1,0,0,0,0|1,0,1]=3 218 B24R2.3928776 CCCCCCCCCCCCc1cc2ccccc2[n+](c1)[O-] 271570a_100011290949_200010000521 [0,1,0,0,0,0|2,0,1]=4 219 B24R2.3928776 CCCCCCCCCCCNc1cc(=O)n2ccccc2n1 27a_200011215754_100000707704 [0,1,0,0,0,0|1,0,1]=3 220 B24R2.3928776 CCCCCCCCCCCNc1nc(c2ccccc2n1)C 27a_200011215754_100000046098 [0,1,0,0,0,0|2,0,1]=4 221 B24R2.3928776 CCCCCCCCCCCNc1nc(c2ccccc2n1)N 27a_200011215754_100000690328 [0,1,0,0,0,0|2,0,1]=4 222 B24R2.3928776 CCCCCCCCCCCNc1nc(c2ccccc2n1)O 27a_200011215754_100000187174 [0,1,0,0,0,0|1,0,2]=4 223 B24R2.3928776 CCCCCCCCCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100011215454 [0,1,0,0,0,0|1,0,1]=3 224 B24R2.3928776 CCCCCCCCCCCOc1cc(c2ncccc2c1)N 34a_100000083691_100011215454 [0,1,0,0,0,0|3,0,0]=4 225 B24R2.3928776 CCCCCCCCCCCSc1nc(c2ccccc2n1)N 62a_100000690328_100011215454 [0,1,0,0,0,0|2,0,1]=4 226 B24R2.3928776 CCCCCCCCCCNCc1cc(=O)n2ccccc2n1 2230a_100000684558_100000017730 [0,1,0,0,0,0|1,0,1]=3 227 B24R2.3928776 CCCCCCCCCCNCc1cc(=O)n2ccccc2n1 34a_100000684558_100000017730 [0,1,0,0,0,0|1,0,1]=3 228 B24R2.3928776 CCCCCCCCCCNCc1nc(c2ccccc2n1)C 2230a_100000684558_100000736427 [0,1,0,0,0,0|2,0,1]=4 229 B24R2.3928776 CCCCCCCCCCNCc1nc(c2ccccc2n1)C 34a_100000684558_100000736427 [0,1,0,0,0,0|2,0,1]=4 230 B24R2.3928776 CCCCCCCCCCNCc1nc2ccccc2c(=O)[nH]1 2230a_100000684558_100000182789 [0,1,0,0,0,0|1,0,1]=3 231 B24R2.3928776 CCCCCCCCCCOCc1cc(=O)n2ccccc2n1 34a_100000210711_100000017730 [0,1,0,0,0,0|1,0,1]=3 232 B24R2.3928776 CCCCCCCCCCOCc1cc(=O)n2ccccc2n1 7a_100000210711_100000017730 [0,1,0,0,0,0|1,0,1]=3 233 B24R2.3928776 CCCCCCCCCCOCc1nc(c2ccccc2n1)C 34a_100000210711_100000736427 [0,1,0,0,0,0|2,0,1]=4 234 B24R2.3928776 CCCCCCCCCCOCc1nc(c2ccccc2n1)C 7a_100000210711_100000736427 [0,1,0,0,0,0|2,0,1]=4 235 B24R2.3928776 CCCCCCCCCCOCc1nc(c2ccccc2n1)Cl 7a_100000210711_100010180038 [0,1,0,0,0,0|2,0,1]=4 236 B24R2.3928776 CCCCCCCCCCOCc1nc2ccccc2c(=O)[nH]1 7a_100000210711_100000182789 [0,1,0,0,0,0|1,0,1]=3 237 B24R2.3928776 CCCCCCCCCCSCc1cc(=O)n2ccccc2n1 62a_100000017730_100000210320 [0,1,0,0,0,0|1,0,1]=3 238 B24R2.3928776 Cc1cc(nc2c1cccc2)NCCCCCCCCCCO 27a_100000066964_100000184993 [0,1,0,0,0,0|2,0,1]=4 239 B24R2.3928776 Cc1cc(nc2c1cccc2)SCCCCCCCCCCO 62a_100009813290_100000184993 [0,1,0,0,0,0|2,0,1]=4 240 B24R2.3928776 Cc1cc(nc2c1cccc2)SCCCCCCCCCCO 62a_100012354972_200000033068 [0,1,0,0,0,0|2,0,1]=4 241 B24R2.3928776 NCCCCCCCCCOCc1cc(=O)n2ccccc2n1 34a_100000078944_100000017730 [0,1,0,0,0,0|2,0,1]=4 242 B24R2.3928776 Nc1cc(cc2c1cccc2)SCCCCCCCCCCO 62a_100009813290_100010171453 [0,1,0,0,0,0|3,0,0]=4 243 B24R2.3928776 Nc1cc(cc2c1cccc2)SCCCCCCCCCCO 62a_100010171453_200000033068 [0,1,0,0,0,0|3,0,0]=4 244 B24R2.3928776 Nc1cc(nc2c1cccc2)SCCCCCCCCCCO 62a_100010197925_200000033068 [0,1,0,0,0,0|2,0,1]=4 245 B24R2.3928776 O=c1[nH]c(cc2c1cccc2)SCCCCCCCCCCO 62a_100009813290_200015811170 [0,1,0,0,0,0|3,0,0]=4 246 B24R2.3928776 O=c1[nH]c(nc2c1cccc2)CNCCCCCCCCCO 2230a_100000078944_100000182789 [0,1,0,0,0,0|2,0,1]=4 247 B24R2.3928776 O=c1[nH]c(nc2c1cccc2)COCCCCCCCCCBr 7a_100009813782_100000182789 [0,1,0,0,0,0|2,0,1]=4 248 B24R2.3928776 O=c1[nH]c(nc2c1cccc2)COCCCCCCCCCCl 7a_100009868337_100000182789 [0,1,0,0,0,0|2,0,1]=4 249 B24R2.3928776 O=c1cc([nH]c2c1cccc2)SCCCCCCCCCCO 62a_100009813290_100000090176 [0,1,0,0,0,0|1,0,0]=2 250 B24R2.3928776 O=c1cc(nc2n1cccc2)CNCCCCCCCCCO 2230a_100000078944_100000017730 [0,1,0,0,0,0|2,0,1]=4 251 B24R2.3928776 O=c1cc(nc2n1cccc2)CNCCCCCCCCCO 34a_100000078944_100000017730 [0,1,0,0,0,0|2,0,1]=4 252 B24R2.3928776 O=c1cc(nc2n1cccc2)COCCCCCCCCCBr 34a_100009813782_100000017730 [0,1,0,0,0,0|2,0,1]=4 253 B24R2.3928776 O=c1cc(nc2n1cccc2)COCCCCCCCCCBr 7a_100009813782_100000017730 [0,1,0,0,0,0|2,0,1]=4 254 B24R2.3928776 O=c1cc(nc2n1cccc2)COCCCCCCCCCCl 34a_100009868337_100000017730 [0,1,0,0,0,0|2,0,1]=4 255 B24R2.3928776 O=c1cc(nc2n1cccc2)COCCCCCCCCCCl 7a_100009868337_100000017730 [0,1,0,0,0,0|2,0,1]=4 256 B24R2.3928776 O=c1cc(nc2n1cccc2)CSCCCCCCCCCO 62a_100000017730_100009813782 [0,1,0,0,0,0|2,0,1]=4 257 B24R2.3928776 O=c1cc(nc2n1cccc2)CSCCCCCCCCCO 62a_100009813782_100000017730 [0,1,0,0,0,0|2,0,1]=4 258 B24R2.3928776 O=c1cc(nc2n1cccc2)NCCCCCCCCCCO 27a_100000066964_100000707704 [0,1,0,0,0,0|2,0,1]=4 259 B24R2.3928776 O=c1cc(nc2n1cccc2)OCCCCCCCCCCO 34a_100000751361_100009813290 [0,1,0,0,0,0|2,0,1]=4 260 B24R2.3928776 O=c1cc(nc2n1cccc2)SCCCCCCCCCCO 62a_100009813290_100000707704 [0,1,0,0,0,0|2,0,1]=4 261 B24R2.3928776 OCCCCCCCCCCSc1cc(c2ccccc2c1)O 62a_100009813290_100010089979 [0,1,0,0,0,0|2,0,1]=4 262 B24R2.4684094 CCCCCCC(C)CCOCc1cc(=O)n2ccccc2n1 34a_200011024964_100000017730 [0,1,0,0,0,0|2,0,1]=4 263 B24R2.4684094 CCCCCCC(C)CCOCc1cc(=O)n2ccccc2n1 7a_200011024964_100000017730 [0,1,0,0,0,0|2,0,1]=4 264 B24R2.4684094 CCCCCCC(C)CCOCc1nc2ccccc2c(=O)[nH]1 7a_200011024964_100000182789 [0,1,0,0,0,0|2,0,1]=4 265 B24R2.4938415 CCCCCCCCC(=O)CCc1nc2ccccc2c(=O)[nH]1 1458a_100000182978_100000210759 [0,1,0,0,0,0|1,0,2]=4 266 B24R2.4938415 CCCCCCCCC(C)OCc1cc(=O)n2ccccc2n1 34a_100000210740_100000017730 [0,1,0,0,0,0|2,0,1]=4 267 B24R2.4938415 CCCCCCCCC(C)OCc1cc(=O)n2ccccc2n1 7a_100000210740_100000017730 [0,1,0,0,0,0|2,0,1]=4 268 B24R2.4938415 CCCCCCCCC(C)OCc1nc2ccccc2c(=O)[nH]1 7a_100000210740_100000182789 [0,1,0,0,0,0|2,0,1]=4 269 B24R2.6647082 CCCCCCCC(=O)CCCc1nc2ccccc2c(=O)[nH]1 1458a_100000261255_100000210614 [0,1,0,0,0,0|1,0,2]=4 270 B24R2.6855593 CCCCC(C)CCCCOCc1cc(=O)n2ccccc2n1 34a_200011021034_100000017730 [0,1,0,0,0,0|2,0,1]=4 271 B24R2.6855593 CCCCC(C)CCCCOCc1cc(=O)n2ccccc2n1 7a_200011021034_100000017730 [0,1,0,0,0,0|2,0,1]=4 272 B24R2.6855593 CCCCC(C)CCCCOCc1nc2ccccc2c(=O)[nH]1 7a_200011021034_100000182789 [0,1,0,0,0,0|2,0,1]=4 273 B24R2.7547327 CCCCCCCCCNCc1cc(=O)n2ccc(cc2n1)C 2230a_100000212291_100000010441 [0,1,0,0,0,0|2,0,1]=4 274 B24R2.7547327 CCCCCCCCCNCc1cc(=O)n2ccc(cc2n1)C 34a_100000212291_100000010441 [0,1,0,0,0,0|2,0,1]=4 275 B24R2.7547327 CCCCCCCCCNCc1nc2cc(ccc2c(=O)[nH]1)Cl 2230a_100000212291_100000184364 [0,1,0,0,0,0|2,0,1]=4 276 B24R2.7547327 CCCCCCCCCOCc1cc(=O)n2ccc(cc2n1)C 34a_100000210712_100000010441 [0,1,0,0,0,0|2,0,1]=4 277 B24R2.7547327 CCCCCCCCCOCc1cc(=O)n2ccc(cc2n1)C 7a_100000210712_100000010441 [0,1,0,0,0,0|2,0,1]=4 278 B24R2.7547327 CCCCCCCCCOCc1nc2cc(ccc2c(=O)[nH]1)Cl 7a_100000210712_100000184364 [0,1,0,0,0,0|2,0,1]=4 279 B24R2.7547327 CCCCCCCCCSCc1cc(=O)n2ccc(cc2n1)C 62a_100000010441_100000210670 [0,1,0,0,0,0|2,0,1]=4 280 B24R2.7547334 CCCCCCCCCCNc1cc(=O)n2cc(ccc2n1)F 27a_100000684558_100015492560 [0,1,0,0,0,0|2,0,1]=4 281 B24R2.7547334 CCCCCCCCCCOc1cc(=O)n2cc(ccc2n1)Br 7a_100016101194_100000210320 [0,1,0,0,0,0|2,0,1]=4 282 B24R2.7547334 CCCCCCCCCNCc1cc(=O)n2cc(ccc2n1)C 2230a_100000212291_100000010440 [0,1,0,0,0,0|2,0,1]=4 283 B24R2.7547334 CCCCCCCCCNCc1cc(=O)n2cc(ccc2n1)Cl 2230a_100000212291_100000017716 [0,1,0,0,0,0|2,0,1]=4 284 B24R2.7547334 CCCCCCCCCNCc1nc2ccc(cc2c(=O)[nH]1)Br 2230a_100000212291_100000184987 [0,1,0,0,0,0|2,0,1]=4 285 B24R2.7547334 CCCCCCCCCOCc1cc(=O)n2cc(ccc2n1)C 7a_100000210712_100000010440 [0,1,0,0,0,0|2,0,1]=4 286 B24R2.7547334 CCCCCCCCCOCc1cc(=O)n2cc(ccc2n1)Cl 7a_100000210712_100000017716 [0,1,0,0,0,0|2,0,1]=4 287 B24R2.7547334 CCCCCCCCCOCc1nc2ccc(cc2c(=O)[nH]1)Br 7a_100000210712_100000184987 [0,1,0,0,0,0|2,0,1]=4 288 B24R2.7547334 CCCCCCCCCSCc1cc(=O)n2cc(ccc2n1)C 62a_100000010440_100000210670 [0,1,0,0,0,0|2,0,1]=4 289 B24R2.7547334 CCCCCCCCCSCc1cc(=O)n2cc(ccc2n1)Cl 62a_100000017716_100000210670 [0,1,0,0,0,0|2,0,1]=4 290 B24R2.7547334 CCCCCCCCCSCc1nc2ccc(cc2c(=O)[nH]1)Br 62a_100000184987_100000210670 [0,1,0,0,0,0|2,0,1]=4 291 B24R2.7547374 CCCCCCCCCNCc1cc(=O)n2cccc(c2n1)C 2230a_100000212291_100000010971 [0,1,0,0,0,0|2,0,1]=4 292 B24R2.7547374 CCCCCCCCCNCc1nc2c(cccc2c(=O)[nH]1)C 2230a_100000212291_100000204627 [0,1,0,0,0,0|2,0,1]=4 293 B24R2.7547374 CCCCCCCCCOCc1cc(=O)n2cccc(c2n1)C 7a_100000210712_100000010971 [0,1,0,0,0,0|2,0,1]=4 294 B24R2.7547374 CCCCCCCCCOCc1cc(=O)n2cccc(c2n1)O 7a_100000210712_200010191273 [0,1,0,0,0,0|2,0,1]=4 295 B24R2.7547374 CCCCCCCCCOCc1nc2c(cccc2c(=O)[nH]1)C 7a_100000210712_100000204627 [0,1,0,0,0,0|2,0,1]=4 296 B24R2.7547374 CCCCCCCCCSCc1cc(=O)n2cccc(c2n1)C 62a_100000010971_100000210670 [0,1,0,0,0,0|2,0,1]=4 297 B24R2.7547393 CCCCCCCCCCNc1nc2ccccc2c(=O)n1C 27a_100000684558_200000215938 [0,1,0,0,0,0|2,0,1]=4 298 B24R2.7547393 CCCCCCCCCNCc1nc2ccccn2c(=O)c1Br 2230a_100000212291_100010128405 [0,1,0,0,0,0|2,0,1]=4 299 B24R2.7547393 CCCCCCCCCOCc1nc2ccccn2c(=O)c1Br 7a_100000210712_100010128405 [0,1,0,0,0,0|2,0,1]=4 300 B24R2.7547393 CCCCCCCCCSCc1nc2ccccn2c(=O)c1Br 62a_100010128405_100000210670 [0,1,0,0,0,0|2,0,1]=4 301 B24R2.10824439 CC(C)CCCCCCCOCc1cc(=O)n2ccccc2n1 34a_200000210741_100000017730 [0,1,0,0,0,0|2,0,1]=4 302 B24R2.10824439 CC(C)CCCCCCCOCc1cc(=O)n2ccccc2n1 7a_200000210741_100000017730 [0,1,0,0,0,0|2,0,1]=4 303 B24R2.10824439 CC(C)CCCCCCCOCc1nc2ccccc2c(=O)[nH]1 7a_200000210741_100000182789 [0,1,0,0,0,0|2,0,1]=4 304 B24R2.17064628 COC(=O)CCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100010004213_100000090176 [0,1,0,0,0,0|2,0,1]=4 305 B24R2.18125423 CCCCCCCCCCN(C)c1cc(=O)n2ccccc2n1 27a_100000207566_100000707704 [0,1,0,0,0,0|2,0,1]=4 306 B24R2.21076791 CCCCCCCCCC(=O)Cc1cc(=O)n2ccccc2n1 1458a_100000210558_100000017730 [0,1,0,0,0,0|1,0,2]=4 307 B24R2.21076791 CCCCCCCCCC(=O)Cc1nc2ccccc2c(=O)[nH]1 1458a_100000210558_100000182789 [0,1,0,0,0,0|1,0,2]=4 308 B24R2.21076791 CCCCCCCCCN(C)Cc1cc(=O)n2ccccc2n1 2230a_100000232482_100000017730 [0,1,0,0,0,0|2,0,1]=4 309 B24R2.21076791 CCCCCCCCCN(C)Cc1cc(=O)n2ccccc2n1 269982a_100000232482_100000017730 [0,1,0,0,0,0|2,0,1]=4 310 B24R2.21076791 CCCCCCCCCN(C)Cc1nc2ccccc2c(=O)[nH]1 2230a_100000162834_100011214924 [0,1,0,0,0,0|2,0,1]=4 311 B24R2.21076791 CCCCCCCCCN(C)Cc1nc2ccccc2c(=O)[nH]1 2230a_100000232482_100000182789 [0,1,0,0,0,0|2,0,1]=4 312 B24R2.21076791 CCCCCCCCCN(C)Cc1nc2ccccc2c(=O)[nH]1 269982a_100000162834_100000210670 [0,1,0,0,0,0|2,0,1]=4 313 B24R2.21076791 CCCCCCCCCN(C)Cc1nc2ccccc2c(=O)[nH]1 269982a_100000232482_100000182789 [0,1,0,0,0,0|2,0,1]=4 314 B24R2.57147892 CCCCCCCCCNCc1cc(=O)n2c(cccc2n1)C 2230a_100000212291_100000016170 [0,1,0,0,0,0|2,0,1]=4 315 B24R2.57147892 CCCCCCCCCOCc1cc(=O)n2c(cccc2n1)C 7a_100000210712_100000016170 [0,1,0,0,0,0|2,0,1]=4 316 B24R2.57147892 CCCCCCCCCSCc1cc(=O)n2c(cccc2n1)C 62a_100000016170_100000210670 [0,1,0,0,0,0|2,0,1]=4 317 B22R1.5543 CC(=CC(=O)CCCCCCCCCCO)c1ccccc1 1458a_100000743005_100009813290 [0,0,1,0,0,0|3,0,0]=4 318 B22R1.5543 CCCCCCCCCCCC(=O)CC(=O)c1ccccc1 1458a_100000210736_100000211460 [0,0,1,0,0,0|1,0,1]=3 319 B22R1.5543 CCCCCCCCCCCC(=O)CC(=O)c1ccccn1 1458a_100000210736_100000027445 [0,0,1,0,0,0|2,0,1]=4 320 B22R1.5543 CCCCCCCCCCCC(=O)CC(=O)c1cccnc1 1458a_100000210736_100015188593 [0,0,1,0,0,0|2,0,1]=4 321 B22R1.5543 CCCCCCCCCCCC(=O)CC(=O)c1ccncc1 1458a_100000210736_100000027454 [0,0,1,0,0,0|2,0,1]=4 322 B22R1.5543 CCCCCCCCCCNC(=O)C=C(C)c1ccccc1 11a_100000684558_100000743005 [0,0,1,0,0,0|3,0,0]=4 323 B22R1.5543 CCCCCCCCCCNC(=O)C=C(C)c1ccccc1 1626a_100000684558_100000743005 [0,0,1,0,0,0|3,0,0]=4 324 B22R1.5543 CCCCCCCCCCNC(=O)C=C(C)c1ccccc1 240690a_100000684558_100000743005 [0,0,1,0,0,0|3,0,0]=4 325 B22R1.5543 CCCCCCCCCCNC(=O)C=C(C)c1ccccc1 527a_100000684558_100000743005 [0,0,1,0,0,0|3,0,0]=4 326 B22R1.5543 CCCCCCCCCCOC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000210668 [0,0,1,0,0,0|2,0,1]=4 327 B22R1.5543 CCCCCCCCCOCC(=O)NC(=O)c1ccccc1 7a_100000210712_100000010347 [0,0,1,0,0,0|3,0,0]=4 328 B22R1.18063 C=C(C)c1ccccc1NCCCCCCCCCCCO 34a_100000037685_100009812471 [0,0,1,0,0,0|2,0,1]=4 329 B22R1.18063 CCCCCCCCCCCCNc1ccccc1C(=O)N 34a_100000185089_100000759014 [0,0,1,0,0,0|1,0,1]=3 330 B22R1.18063 CCCCCCCCCCCCNc1cccnc1C(=O)N 27a_100000210451_200012359670 [0,0,1,0,0,0|2,0,1]=4 331 B22R1.18063 CCCCCCCCCCCCNc1ccncc1C(=O)C 27a_100000210451_100160469449 [0,0,1,0,0,0|1,0,2]=4 332 B22R1.18063 CCCCCCCCCCCCNc1ccncc1C(=O)N 27a_100000210451_100000697804 [0,0,1,0,0,0|2,0,1]=4 333 B22R1.18063 CCCCCCCCCCCCNc1ncccc1C(=O)C 27a_100000210451_100009816689 [0,0,1,0,0,0|1,0,2]=4 334 B22R1.18063 CCCCCCCCCCCCNc1ncccc1C(=O)N 27a_100000210451_100000162199 [0,0,1,0,0,0|2,0,1]=4 335 B22R1.18063 CCCCCCCCCCCCOc1ccccc1C(=O)N 34a_100000192804_100000759014 [0,0,1,0,0,0|2,0,1]=4 336 B22R1.18063 CCCCCCCCCCCCOc1ccccc1C(=O)N 7a_100000192804_100000759014 [0,0,1,0,0,0|2,0,1]=4 337 B22R1.18063 CCCCCCCCCCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000759014 [0,0,1,0,0,0|2,0,1]=4 338 B22R1.18063 CCCCCCCCCCCCSc1ccccc1C(=O)N 62a_100000162227_100000759014 [0,0,1,0,0,0|2,0,1]=4 339 B22R1.18063 CCCCCCCCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100011215454 [0,0,1,0,0,0|3,0,0]=4 340 B22R1.18063 NC(=O)c1ccccc1NCCCCCCCCCCCO 34a_100000185089_100009812471 [0,0,1,0,0,0|2,0,1]=4 341 B22R1.120380 CCCCCCCCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210684 [0,0,1,0,0,0|1,0,2]=4 342 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1C 11a_100000210451_100000212026 [0,0,1,0,0,0|2,0,1]=4 343 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1C 1626a_100000210451_100000212026 [0,0,1,0,0,0|2,0,1]=4 344 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1C 240690a_100000210451_100000212026 [0,0,1,0,0,0|2,0,1]=4 345 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1C 527a_100000210451_100000212026 [0,0,1,0,0,0|2,0,1]=4 346 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1Cl 11a_100000210451_100000185844 [0,0,1,0,0,0|2,0,1]=4 347 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1Cl 1626a_100000210451_100000185844 [0,0,1,0,0,0|2,0,1]=4 348 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1Cl 240690a_100000210451_100000185844 [0,0,1,0,0,0|2,0,1]=4 349 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1Cl 527a_100000210451_100000185844 [0,0,1,0,0,0|2,0,1]=4 350 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1F 11a_100000210451_100000188656 [0,0,1,0,0,0|2,0,1]=4 351 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1F 1626a_100000210451_100000188656 [0,0,1,0,0,0|2,0,1]=4 352 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1F 240690a_100000210451_100000188656 [0,0,1,0,0,0|2,0,1]=4 353 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1F 527a_100000210451_100000188656 [0,0,1,0,0,0|2,0,1]=4 354 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1I 11a_100000210451_100000187884 [0,0,1,0,0,0|2,0,1]=4 355 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1I 1626a_100000210451_100000187884 [0,0,1,0,0,0|2,0,1]=4 356 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1I 240690a_100000210451_100000187884 [0,0,1,0,0,0|2,0,1]=4 357 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1I 527a_100000210451_100000187884 [0,0,1,0,0,0|2,0,1]=4 358 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1O 240690a_100000210451_100015234032 [0,0,1,0,0,0|2,0,1]=4 359 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1[O-] 1626a_100000210451_100009911694 [0,0,1,0,0,0|2,0,1]=4 360 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1[O-] 240690a_100000210451_100009911694 [0,0,1,0,0,0|2,0,1]=4 361 B22R1.120380 CCCCCCCCCCCCNC(=O)c1ccccc1[O-] 527a_100000210451_100009911694 [0,0,1,0,0,0|2,0,1]=4 362 B22R1.120380 CCCCCCCCCCCNCC(=O)c1ccccc1Br 34a_200011215754_100000199116 [0,0,1,0,0,0|2,0,1]=4 363 B22R1.120380 CCCCCCCCCCCNCC(=O)c1ccccc1C 2230a_200011215754_100000741374 [0,0,1,0,0,0|2,0,1]=4 364 B22R1.120380 CCCCCCCCCCCNCC(=O)c1ccccc1C 34a_200011215754_100000741374 [0,0,1,0,0,0|2,0,1]=4 365 B22R1.120380 CCCCCCCCCCCNCC(=O)c1ccccc1Cl 34a_200011215754_100000211432 [0,0,1,0,0,0|2,0,1]=4 366 B22R1.120380 CCCCCCCCCCCNCC(=O)c1ccccc1F 34a_200011215754_100000204681 [0,0,1,0,0,0|2,0,1]=4 367 B22R1.120380 CCCCCCCCCCCOCC(=O)c1ccccc1C 34a_100000210809_100000741374 [0,0,1,0,0,0|2,0,1]=4 368 B22R1.120380 CCCCCCCCCCCOCC(=O)c1ccccc1C 7a_100000210809_100000741374 [0,0,1,0,0,0|2,0,1]=4 369 B22R1.120380 CCCCCCCCCCCOCC(=O)c1ccccc1F 34a_100000210809_100000204681 [0,0,1,0,0,0|2,0,1]=4 370 B22R1.120380 CCCCCCCCCCCOCC(=O)c1ccccc1F 7a_100000210809_100000204681 [0,0,1,0,0,0|2,0,1]=4 371 B22R1.120380 CCCCCCCCCCCOCC(=O)c1ccccc1O 7a_100000210809_100000188908 [0,0,1,0,0,0|2,0,1]=4 372 B22R1.120380 CCCCCCCCCCCSCC(=O)c1ccccc1O 62a_100000188908_100011215454 [0,0,1,0,0,0|2,0,1]=4 373 B22R1.120380 CCCCCCCCOCCCNC(=O)c1ccccc1N 34a_200011191992_100000210759 [0,0,1,0,0,0|2,0,1]=4 374 B22R1.521770 C#Cc1ccccc1NC(=O)CCCCCCCCCCC 11a_100011470550_100000210736 [0,0,1,0,0,0|2,0,1]=4 375 B22R1.521770 C#Cc1ccccc1NC(=O)CCCCCCCCCCC 1626a_100011470550_100000210736 [0,0,1,0,0,0|2,0,1]=4 376 B22R1.521770 C#Cc1ccccc1NC(=O)CCCCCCCCCCC 22a_100011470550_100000210736 [0,0,1,0,0,0|2,0,1]=4 377 B22R1.521770 C=Cc1ccccc1NC(=O)CCCCCCCCCCO 22a_100012022501_200000016029 [0,0,1,0,0,0|3,0,0]=4 378 B22R1.521770 C=Cc1ccccc1NC(=O)NCCCCCCCCCC 2430a_100012022501_100000684558 [0,0,1,0,0,0|3,0,0]=4 379 B22R1.521770 CCCCCCCCCCCC(=O)Cc1ccccc1C=O 1458a_100000210736_200009853537 [0,0,1,0,0,0|2,0,0]=3 380 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1C#N 11a_100000211148_100000210736 [0,0,1,0,0,0|2,0,1]=4 381 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1C#N 1626a_100000211148_100000210736 [0,0,1,0,0,0|2,0,1]=4 382 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1CO 22a_100000212039_100000210736 [0,0,1,0,0,0|1,0,2]=4 383 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1OC 11a_100000210025_100000210736 [0,0,1,0,0,0|3,0,0]=4 384 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1OC 1626a_100000210025_100000210736 [0,0,1,0,0,0|3,0,0]=4 385 B22R1.521770 CCCCCCCCCCCC(=O)Nc1ccccc1OC 22a_100000210025_100000210736 [0,0,1,0,0,0|3,0,0]=4 386 B24R3.184527 O=c1[nH]c(nc2c1cccc2)CNCCCC3CCCCC3 2230a_100011211642_100000182789 [0,0,0,1,0,0|2,0,1]=4 387 B24R3.184527 O=c1[nH]c(nc2c1cccc2)COCCCC3CCCCC3 7a_100000198086_100000182789 [0,0,0,1,0,0|2,0,1]=4 388 B24R3.184527 O=c1cc([nH]c2c1cccc2)SCCCOC3CCCCO3 62a_100000700653_100000090176 [0,0,0,1,0,0|3,0,0]=4 389 B24R3.184527 O=c1cc(nc2n1cccc2)CNCCCC3CCCCC3 2230a_100011211642_100000017730 [0,0,0,1,0,0|2,0,1]=4 390 B24R3.184527 O=c1cc(nc2n1cccc2)CNCCCC3CCCCC3 34a_100011211642_100000017730 [0,0,0,1,0,0|2,0,1]=4 391 B24R3.184527 O=c1cc(nc2n1cccc2)COCCCC3CCCCC3 34a_100000198086_100000017730 [0,0,0,1,0,0|2,0,1]=4 392 B24R3.184527 O=c1cc(nc2n1cccc2)COCCCC3CCCCC3 7a_100000198086_100000017730 [0,0,0,1,0,0|2,0,1]=4 393 B24R3.184527 O=c1cc(nc2n1cccc2)CSCCCC3CCCCC3 62a_100000017730_100011713725 [0,0,0,1,0,0|2,0,1]=4 394 B24R3.184527 O=c1cc(nc2n1cccc2)CSCCCC3CCCCC3 62a_100011713725_100000017730 [0,0,0,1,0,0|2,0,1]=4 395 B24R3.2041223 CCCC1CCCCC1OCc2cc(=O)n3ccccc3n2 34a_100011217265_100000017730 [0,0,0,1,0,0|2,0,1]=4 396 B24R3.2041223 CCCC1CCCCC1OCc2cc(=O)n3ccccc3n2 7a_100011217265_100000017730 [0,0,0,1,0,0|2,0,1]=4 397 B24R3.2041223 CCCC1CCCCC1OCc2nc3ccccc3c(=O)[nH]2 7a_100011217265_100000182789 [0,0,0,1,0,0|2,0,1]=4 398 B24R3.228007497 Cc1cc(nc2c1cccc2)NCCC3CCCCCCC3 27a_100011532352_100000184993 [0,0,0,1,0,0|2,0,1]=4 399 B24R3.228007497 O=c1[nH]c(nc2c1cccc2)COCC3CCCCCCC3 7a_100011216312_100000182789 [0,0,0,1,0,0|2,0,1]=4 400 B24R3.228007497 O=c1cc(nc2n1cccc2)COCC3CCCCCCC3 34a_100011216312_100000017730 [0,0,0,1,0,0|2,0,1]=4 401 B24R3.228007497 O=c1cc(nc2n1cccc2)COCC3CCCCCCC3 7a_100011216312_100000017730 [0,0,0,1,0,0|2,0,1]=4 402 B24R3.228007497 O=c1cc(nc2n1cccc2)NCCC3CCCCCCC3 27a_100011532352_100000707704 [0,0,0,1,0,0|2,0,1]=4 403 B24R3.228007661 O=c1[nH]c(nc2c1cccc2)CNCCC3CCCCCC3 2230a_100011532351_100000182789 [0,0,0,1,0,0|2,0,1]=4 404 B24R3.228007661 O=c1cc(nc2n1cccc2)CNCCC3CCCCCC3 2230a_100011532351_100000017730 [0,0,0,1,0,0|2,0,1]=4 405 B24R3.228007661 O=c1cc(nc2n1cccc2)CNCCC3CCCCCC3 34a_100011532351_100000017730 [0,0,0,1,0,0|2,0,1]=4 406 B22R2.8532 CCCCCCCCCCSC1Cc2ccccc2C1=O 62a_100011218503_100000210320 [0,0,0,0,1,0|2,0,1]=4 407 B22R2.8532 CCCCCCCCCNCc1[nH]c2ccccc2c1C 270004a_100000212291_100000066550 [0,0,0,0,1,0|2,0,0]=3 408 B22R2.8532 CCCCCCCCCNCc1[nH]c2ccccc2c1Cl 270004a_100000212291_100000050720 [0,0,0,0,1,0|2,0,0]=3 409 B22R2.8532 CCCCCCCCCNCc1oc2ccccc2c1C 207a_100000212291_100000077534 [0,0,0,0,1,0|3,0,0]=4 410 B22R2.8532 CCCCCCCCCNCc1oc2ccccc2c1C 2230a_100153394726_100011214924 [0,0,0,0,1,0|3,0,0]=4 411 B22R2.8532 CCCCCCCCCNCc1oc2ccccc2c1C 270004a_100000212291_100000077534 [0,0,0,0,1,0|3,0,0]=4 412 B22R2.8532 CCCCCCCCCNCc1oc2ccccc2c1C 34a_100153394726_100011214924 [0,0,0,0,1,0|3,0,0]=4 413 B22R2.8532 Cc1c([nH]c2c1cccc2)CNCCCCCCCCO 270004a_102515433106_100000066550 [0,0,0,0,1,0|3,0,0]=4 414 B22R2.8532 OCCCCCCCCNCc1[nH]c2ccccc2c1Cl 270004a_102515433106_100000050720 [0,0,0,0,1,0|3,0,0]=4 415 B22R2.187010 CCCCCCCCCCNC1CC(=O)c2c1cccc2 2230a_100000684558_100010208147 [0,0,0,0,1,0|1,0,2]=4 416 B22R2.187010 CCCCCCCCCCNC1OC(=O)c2c1cccc2 2230a_100000684558_100009813457 [0,0,0,0,1,0|2,0,1]=4 417 B22R2.187010 CCCCCCCCCCOC1CC(=O)c2c1cccc2 7a_100000210711_100010208147 [0,0,0,0,1,0|1,0,2]=4 418 B22R2.187010 CCCCCCCCCNCc1cn(c2c1cccc2)C 34a_100011997738_100011214924 [0,0,0,0,1,0|3,0,0]=4 419 B22R2.187010 CCCCCCCCOCCc1cn(c2c1cccc2)C 34a_100000101561_100000210759 [0,0,0,0,1,0|3,0,0]=4 420 B22R2.187089 CCCCCCCCCCNc1nc(=O)c2cccn2[nH]1 27a_100000684558_100021547375 [0,0,0,0,1,0|3,0,0]=4 421 B21R1.2939 CCCCCCCCCCC(=O)CC(=O)c1ccccc1 1458a_100000210375_100000211460 [1,0,1,0,0,0|1,0,1]=4 422 B21R1.2969 CCCCCCCCCCCCNC(=O)c1ccccc1 11a_100000210451_100000185807 [1,0,1,0,0,0|1,0,1]=4 423 B21R1.2969 CCCCCCCCCCCCNC(=O)c1ccccc1 1626a_100000210451_100000185807 [1,0,1,0,0,0|1,0,1]=4 424 B21R1.2969 CCCCCCCCCCCCNC(=O)c1ccccc1 240690a_100000210451_100000185807 [1,0,1,0,0,0|1,0,1]=4 425 B21R1.2969 CCCCCCCCCCCCNC(=O)c1ccccc1 527a_100000210451_100000185807 [1,0,1,0,0,0|1,0,1]=4 426 B21R1.2969 CCCCCCCCCCCOCC(=O)c1ccccc1 7a_100000210809_100000211460 [1,0,1,0,0,0|1,0,1]=4 427 B21R1.7092 CCCCCCCCCCCC(=O)C=Cc1ccccn1 1458a_100000740811_100011215454 [1,0,1,0,0,0|2,0,0]=4 428 B21R1.7092 CCCCCCCCCCCC(=O)C=Cc1cccnc1 1458a_100000735890_100011215454 [1,0,1,0,0,0|2,0,0]=4 429 B21R1.7092 CCCCCCCCCCCC(=O)C=Cc1ccncc1 1458a_100000682801_100011215454 [1,0,1,0,0,0|2,0,0]=4 430 B21R1.7092 CCCCCCCCCCNC(=O)C=Cc1ccccc1 11a_100000684558_100000210462 [1,0,1,0,0,0|2,0,0]=4 431 B21R1.7092 CCCCCCCCCCNC(=O)C=Cc1ccccc1 1626a_100000684558_100000210462 [1,0,1,0,0,0|2,0,0]=4 432 B21R1.7092 O=C(C=Cc1ccccc1)CCCCCCCCCCO 1458a_100000210462_100009813290 [1,0,1,0,0,0|2,0,0]=4 433 B21R1.37190 C=Cc1ccccc1NCCCCCCCCCCCO 34a_100012022501_100009812471 [1,0,1,0,0,0|1,0,1]=4 434 B21R1.37190 CCCCCCCCCCCNCc1ccccc1C=O 2230a_200011215754_200009853537 [1,0,1,0,0,0|2,0,0]=4 435 B21R1.37190 CCCCCCCCCCCNCc1ccccc1C=O 34a_200011215754_200009853537 [1,0,1,0,0,0|2,0,0]=4 436 B21R1.37190 CCCCCCCCCCCOCc1ccccc1C=O 34a_100000210809_200009853537 [1,0,1,0,0,0|2,0,0]=4 437 B21R1.37190 CCCCCCCCCCCOCc1ccccc1C=O 7a_100000210809_200009853537 [1,0,1,0,0,0|2,0,0]=4 438 B21R1.75651 C=C(C)c1ccccc1NCCCCCCCCCCO 34a_100000037685_100009813290 [1,0,1,0,0,0|2,0,0]=4 439 B21R1.75651 CCCCCCCCCCCCc1ccccc1C(=O)N 271570a_100011290949_100000162227 [1,0,1,0,0,0|1,0,1]=4 440 B21R1.75651 CCCCCCCCCCCNc1ccccc1C(=O)N 34a_100000185089_100011215454 [1,0,1,0,0,0|1,0,0]=3 441 B21R1.75651 CCCCCCCCCCCNc1cccnc1C(=O)N 27a_200011215754_200012359670 [1,0,1,0,0,0|2,0,0]=4 442 B21R1.75651 CCCCCCCCCCCNc1ccncc1C(=O)C 27a_200011215754_100160469449 [1,0,1,0,0,0|1,0,1]=4 443 B21R1.75651 CCCCCCCCCCCNc1ccncc1C(=O)N 27a_200011215754_100000697804 [1,0,1,0,0,0|2,0,0]=4 444 B21R1.75651 CCCCCCCCCCCNc1ncccc1C(=O)C 27a_200011215754_100009816689 [1,0,1,0,0,0|1,0,1]=4 445 B21R1.75651 CCCCCCCCCCCNc1ncccc1C(=O)N 27a_200011215754_100000162199 [1,0,1,0,0,0|2,0,0]=4 446 B21R1.75651 CCCCCCCCCCCOc1ccccc1C(=O)N 34a_100000192804_100011215454 [1,0,1,0,0,0|2,0,0]=4 447 B21R1.75651 CCCCCCCCCCCOc1ccccc1C(=O)N 7a_100000192804_100011215454 [1,0,1,0,0,0|2,0,0]=4 448 B21R1.75651 CCCCCCCCCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100011215454 [1,0,1,0,0,0|2,0,0]=4 449 B21R1.75651 CCCCCCCCCCCSc1ccccc1C(=O)N 62a_100000162227_100011215454 [1,0,1,0,0,0|2,0,0]=4 450 B21R1.75651 NC(=O)c1ccccc1NCCCCCCCCCCO 34a_100000185089_100009813290 [1,0,1,0,0,0|2,0,0]=4 451 B21R1.20604 CCCCCCCCCCCCC(=O)c1ccccc1O 1458a_100015234032_100000759014 [1,0,1,0,0,0|1,0,1]=4 452 B21R1.20604 CCCCCCCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000759014 [1,0,1,0,0,0|1,0,1]=4 453 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1Br 11a_200011215754_100000188424 [1,0,1,0,0,0|2,0,0]=4 454 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1Br 1626a_200011215754_100000188424 [1,0,1,0,0,0|2,0,0]=4 455 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1Br 240690a_200011215754_100000188424 [1,0,1,0,0,0|2,0,0]=4 456 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1Br 527a_200011215754_100000188424 [1,0,1,0,0,0|2,0,0]=4 457 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1C 11a_200011215754_100000212026 [1,0,1,0,0,0|2,0,0]=4 458 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1C 1626a_200011215754_100000212026 [1,0,1,0,0,0|2,0,0]=4 459 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1C 240690a_200011215754_100000212026 [1,0,1,0,0,0|2,0,0]=4 460 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1C 527a_200011215754_100000212026 [1,0,1,0,0,0|2,0,0]=4 461 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1Cl 11a_200011215754_100000185844 [1,0,1,0,0,0|2,0,0]=4 462 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1Cl 1626a_200011215754_100000185844 [1,0,1,0,0,0|2,0,0]=4 463 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1Cl 240690a_200011215754_100000185844 [1,0,1,0,0,0|2,0,0]=4 464 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1Cl 527a_200011215754_100000185844 [1,0,1,0,0,0|2,0,0]=4 465 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1F 11a_200011215754_100000188656 [1,0,1,0,0,0|2,0,0]=4 466 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1F 1626a_200011215754_100000188656 [1,0,1,0,0,0|2,0,0]=4 467 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1F 240690a_200011215754_100000188656 [1,0,1,0,0,0|2,0,0]=4 468 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1F 527a_200011215754_100000188656 [1,0,1,0,0,0|2,0,0]=4 469 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1I 11a_200011215754_100000187884 [1,0,1,0,0,0|2,0,0]=4 470 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1I 1626a_200011215754_100000187884 [1,0,1,0,0,0|2,0,0]=4 471 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1I 240690a_200011215754_100000187884 [1,0,1,0,0,0|2,0,0]=4 472 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1I 527a_200011215754_100000187884 [1,0,1,0,0,0|2,0,0]=4 473 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1O 240690a_200011215754_100015234032 [1,0,1,0,0,0|2,0,0]=4 474 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1[O-] 1626a_200011215754_100009911694 [1,0,1,0,0,0|2,0,0]=4 475 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1[O-] 240690a_200011215754_100009911694 [1,0,1,0,0,0|2,0,0]=4 476 B21R1.20604 CCCCCCCCCCCNC(=O)c1ccccc1[O-] 527a_200011215754_100009911694 [1,0,1,0,0,0|2,0,0]=4 477 B21R1.20604 CCCCCCCOCCCNC(=O)c1ccccc1N 34a_200011191992_100000210614 [1,0,1,0,0,0|2,0,0]=4 478 B21R1.19806 C=Cc1ccccc1NC(=O)CCCCCCCCCC 11a_100012022501_100000210375 [1,0,1,0,0,0|2,0,0]=4 479 B21R1.19806 C=Cc1ccccc1NC(=O)CCCCCCCCCC 1626a_100012022501_100000210375 [1,0,1,0,0,0|2,0,0]=4 480 B21R1.19806 C=Cc1ccccc1NC(=O)CCCCCCCCCC 22a_100012022501_100000210375 [1,0,1,0,0,0|2,0,0]=4 481 B21R1.19806 CCCCCCCCCCC(=O)Cc1ccccc1C=O 1458a_100000210375_200009853537 [1,0,1,0,0,0|2,0,0]=4 482 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1C 11a_100015192222_100000210736 [1,0,1,0,0,0|1,0,1]=4 483 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1C 1626a_100015192222_100000210736 [1,0,1,0,0,0|1,0,1]=4 484 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1C 22a_100015192222_100000210736 [1,0,1,0,0,0|1,0,1]=4 485 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1F 11a_100000210422_100000210736 [1,0,1,0,0,0|2,0,0]=4 486 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1F 1626a_100000210422_100000210736 [1,0,1,0,0,0|2,0,0]=4 487 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1F 22a_100000210422_100000210736 [1,0,1,0,0,0|2,0,0]=4 488 B21R1.79130 CCCCCCCCCCCC(=O)Nc1ccccc1O 22a_100000185747_100000210736 [1,0,1,0,0,0|1,0,1]=4 489 B21R2.29549 CCCCCCCCCCc1cc2ccccc2cn1 271570a_100000061613_100000047361 [2,0,0,0,0,0|2,0,0]=4 490 B21R2.29549 CCCCCCCCCCc1ccc2ccccc2n1 271570a_100000061613_100011291633 [2,0,0,0,0,0|0,0,1]=3 491 B21R2.29549 CCCCCCCCCCc1ccc2cccnc2c1 271570a_100000061613_100009816655 [2,0,0,0,0,0|2,0,0]=4 492 B21R2.29549 CCCCCCCCCCc1ccc2cccnc2n1 271570a_100000061613_100009888989 [2,0,0,0,0,0|1,0,1]=4 493 B21R2.29549 CCCCCCCCCCc1ccc2ccncc2c1 271570a_100000061613_100000686496 [2,0,0,0,0,0|2,0,0]=4 494 B21R2.29549 CCCCCCCCCCc1ccc2ccncc2n1 271570a_100000061613_100000020162 [2,0,0,0,0,0|1,0,1]=4 495 B21R2.29549 CCCCCCCCCCc1ccc2cnccc2c1 271570a_100000061613_100009816743 [2,0,0,0,0,0|2,0,0]=4 496 B21R2.29549 CCCCCCCCCCc1ccc2ncccc2c1 271570a_100000061613_100000754243 [2,0,0,0,0,0|2,0,0]=4 497 B21R2.29549 CCCCCCCCCCc1ccc2ncccc2n1 271570a_100000061613_100000073381 [2,0,0,0,0,0|1,0,1]=4 498 B21R2.29549 CCCCCCCCCCc1cnc2ccccc2c1 271570a_100000061613_100000737414 [2,0,0,0,0,0|2,0,0]=4 499 B21R2.29549 CCCCCCCCCCc1cnc2ccccc2n1 271570a_100000061613_100000756483 [2,0,0,0,0,0|1,0,1]=4 500 B21R2.29549 CCCCCCCCCCc1ncc2ccccc2n1 271570a_100000061613_100000097389 [2,0,0,0,0,0|1,0,1]=4 501 B21R2.29549 CCCCCCCCCNc1ccc2ccccc2n1 27a_100000212291_100011291633 [2,0,0,0,0,0|1,0,1]=4 502 B21R2.29549 CCCCCCCCCOc1ccc2ccccc2c1 34a_100000185828_100011214924 [2,0,0,0,0,0|2,0,0]=4 503 B21R2.29549 CCCCCCCCCOc1ccc2ccccc2c1 7a_100000185828_100000210328 [2,0,0,0,0,0|2,0,0]=4 504 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2c1 207a_100000229939_100000211584 [2,0,0,0,0,0|2,0,0]=4 505 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2c1 2230a_100000229939_100011216711 [2,0,0,0,0,0|2,0,0]=4 506 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100000210759 [2,0,0,0,0,0|2,0,0]=4 507 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2c1 270004a_100000229939_100000211584 [2,0,0,0,0,0|2,0,0]=4 508 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2c1 34a_100000229939_100011216711 [2,0,0,0,0,0|2,0,0]=4 509 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2c1 34a_100000739491_100000210759 [2,0,0,0,0,0|2,0,0]=4 510 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2n1 207a_100000229939_100000759686 [2,0,0,0,0,0|1,0,1]=4 511 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2n1 2230a_100000229939_100000737579 [2,0,0,0,0,0|1,0,1]=4 512 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2n1 270004a_100000229939_100000759686 [2,0,0,0,0,0|1,0,1]=4 513 B21R2.29549 CCCCCCCCNCc1ccc2ccccc2n1 34a_100000229939_100000737579 [2,0,0,0,0,0|1,0,1]=4 514 B21R2.29549 CCCCCCCCOCc1ccc2ccccc2c1 34a_100000210232_100011216711 [2,0,0,0,0,0|2,0,0]=4 515 B21R2.29549 CCCCCCCCOCc1ccc2ccccc2c1 34a_100011215330_100000210759 [2,0,0,0,0,0|2,0,0]=4 516 B21R2.29549 CCCCCCCCOCc1ccc2ccccc2c1 7a_100000210232_100011216711 [2,0,0,0,0,0|2,0,0]=4 517 B21R2.29549 CCCCCCCCOCc1ccc2ccccc2c1 7a_100011215330_100000210759 [2,0,0,0,0,0|2,0,0]=4 518 B21R2.29549 CCCCCCCCOCc1ccc2ccccc2n1 34a_100000210232_100000737579 [2,0,0,0,0,0|1,0,1]=4 519 B21R2.29549 CCCCCCCCOCc1ccc2ccccc2n1 7a_100000210232_100000737579 [2,0,0,0,0,0|1,0,1]=4 520 B21R2.29549 CCCCCCCCSCc1ccc2ccccc2n1 62a_100000210759_100000737579 [2,0,0,0,0,0|1,0,1]=4 521 B21R2.29549 CCCCCCCCSCc1ccc2ccccc2n1 62a_100000737579_100000210317 [2,0,0,0,0,0|1,0,1]=4 522 B21R2.29549 CCCCCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000210681 [2,0,0,0,0,0|2,0,0]=4 523 B21R2.29549 CCCCCCCNCCc1ccc2ccccc2c1 34a_100000746582_100000210614 [2,0,0,0,0,0|2,0,0]=4 524 B21R2.29549 CCCCCCCOCCc1ccc2ccccc2c1 34a_100000755654_100000210614 [2,0,0,0,0,0|2,0,0]=4 525 B21R2.29549 CCCCCCCOCCc1ccc2ccccc2c1 7a_100000755654_100000210614 [2,0,0,0,0,0|2,0,0]=4 526 B21R2.29549 CCCCCCCOCCc1ccc2ccccc2n1 34a_100011996444_100000210614 [2,0,0,0,0,0|1,0,1]=4 527 B21R2.133685 CCCCCCCC=Cc1cc(=O)c2ccccc2[nH]1 271570a_100134823654_100000090176 [2,0,0,0,0,0|0,0,2]=4 528 B21R2.133685 CCCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210759_100000090176 [2,0,0,0,0,0|1,0,0]=3 529 B21R2.133685 COCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100011998445_100000090176 [2,0,0,0,0,0|2,0,0]=4 530 B21R2.133685 O=c1cc([nH]c2c1cccc2)SCCCCCCCO 62a_100000760002_100000090176 [2,0,0,0,0,0|2,0,0]=4 531 B23R1.2860 CC(=CC(=O)CCCCCCCCCCCO)c1ccccc1 1458a_100000743005_100009812471 [0,1,1,0,0,0|2,0,0]=4 532 B23R1.2860 CCCCCCCCCCCNC(=O)C=C(C)c1ccccc1 11a_200011215754_100000743005 [0,1,1,0,0,0|2,0,0]=4 533 B23R1.2860 CCCCCCCCCCCNC(=O)C=C(C)c1ccccc1 1626a_200011215754_100000743005 [0,1,1,0,0,0|2,0,0]=4 534 B23R1.2860 CCCCCCCCCCCNC(=O)C=C(C)c1ccccc1 240690a_200011215754_100000743005 [0,1,1,0,0,0|2,0,0]=4 535 B23R1.2860 CCCCCCCCCCCNC(=O)C=C(C)c1ccccc1 527a_200011215754_100000743005 [0,1,1,0,0,0|2,0,0]=4 536 B23R1.2860 CCCCCCCCCCOCC(=O)NC(=O)c1ccccc1 7a_100000210711_100000010347 [0,1,1,0,0,0|2,0,0]=4 537 B23R1.4216 CCCCCCCCCCCC(=O)CC(=O)c1ccc(cc1)F 1458a_100000210736_100000211279 [0,1,1,0,0,0|1,0,1]=4 538 B23R1.4216 CCCCCCCCCCCC(=O)CC(=O)c1ccc(cc1)O 1458a_100000210736_100009814261 [0,1,1,0,0,0|1,0,1]=4 539 B23R1.4217 CCCCCCCCCCCC(=O)CC(=O)c1cccc(c1)F 1458a_100000210736_100000215616 [0,1,1,0,0,0|1,0,1]=4 540 B23R1.4217 CCCCCCCCCCCC(=O)CC(=O)c1cccc(c1)O 1458a_100000210736_100009813753 [0,1,1,0,0,0|1,0,1]=4 541 B23R1.367937 CCCCCCCCCCCC(=O)CC(=O)c1ccccc1F 1458a_100000210736_100000204681 [0,1,1,0,0,0|1,0,1]=4 542 B23R1.367937 CCCCCCCCCCCC(=O)CC(=O)c1ccccc1O 1458a_100000210736_100000188908 [0,1,1,0,0,0|1,0,1]=4 543 B23R1.17763 CCCCCCCCCCCCNc1cc(ccc1C(=O)N)Br 27a_100000210451_100009815748 [0,1,1,0,0,0|1,0,1]=4 544 B23R1.17763 CCCCCCCCCCCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000759014 [0,1,1,0,0,0|1,0,1]=4 545 B23R1.17763 CCCCCCCCCCCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000759014 [0,1,1,0,0,0|1,0,1]=4 546 B23R1.17763 CCCCCCCCCCCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000759014 [0,1,1,0,0,0|1,0,1]=4 547 B23R1.17763 CCCCCCCCCCCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000759014 [0,1,1,0,0,0|1,0,1]=4 548 B23R1.17763 CCCCCCCCCCCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000759014 [0,1,1,0,0,0|1,0,1]=4 549 B23R1.17763 CCCCCCCCCCCCNc1cc(ccc1C(=O)N)F 27a_100000210451_100000206404 [0,1,1,0,0,0|1,0,1]=4 550 B23R1.17763 CCCCCCCCCCCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000759014 [0,1,1,0,0,0|1,0,1]=4 551 B23R1.17795 CCCCCCCCCCCCNc1ccccc1C(=O)NC 27a_100000210451_100000155073 [0,1,1,0,0,0|0,0,2]=4 552 B23R1.17795 CCCCCCCCCCCCNc1ccccc1C(=O)NC 34a_100000185696_100000759014 [0,1,1,0,0,0|0,0,2]=4 553 B23R1.21771 CCCCCCCCCCCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000759014 [0,1,1,0,0,0|1,0,1]=4 554 B23R1.65653 CCCCCCCCCCCCNc1ccc(cc1C(=O)N)Br 27a_100000210451_200000162314 [0,1,1,0,0,0|1,0,1]=4 555 B23R1.65653 CCCCCCCCCCCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000759014 [0,1,1,0,0,0|1,0,1]=4 556 B23R1.65653 CCCCCCCCCCCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000759014 [0,1,1,0,0,0|1,0,1]=4 557 B23R1.65653 CCCCCCCCCCCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000759014 [0,1,1,0,0,0|1,0,1]=4 558 B23R1.65653 CCCCCCCCCCCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000759014 [0,1,1,0,0,0|1,0,1]=4 559 B23R1.65653 CCCCCCCCCCCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000759014 [0,1,1,0,0,0|1,0,1]=4 560 B23R1.65653 CCCCCCCCCCCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000759014 [0,1,1,0,0,0|1,0,1]=4 561 B23R1.65653 CCCCCCCCCCCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000759014 [0,1,1,0,0,0|1,0,1]=4 562 B23R1.118118 CCCCCCCCCCCC=NNc1ccccc1[N+](=O)[O-] 4a_100000737275_100011218549 [0,1,1,0,0,0|2,0,0]=4 563 B23R1.118118 CCCCCCCCCCCCCNc1ccccc1C(=O)N 34a_100000185089_100000210684 [0,1,1,0,0,0|1,0,1]=4 564 B23R1.118118 CCCCCCCCCCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000759014 [0,1,1,0,0,0|1,0,1]=4 565 B23R1.118118 NC(=O)c1ccccc1NCCCCCCCCCCCCO 34a_100000185089_100009813331 [0,1,1,0,0,0|1,0,1]=4 566 B23R1.120373 C=C(C)c1ccccc1NC(=O)CCCCCCCCCCO 22a_100000037685_200000016029 [0,1,1,0,0,0|2,0,0]=4 567 B23R1.120373 C=C(C)c1ccccc1NC(=O)NCCCCCCCCCC 2430a_100000037685_100000684558 [0,1,1,0,0,0|2,0,0]=4 568 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210736 [0,1,1,0,0,0|1,0,0]=3 569 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210736 [0,1,1,0,0,0|1,0,0]=3 570 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210736 [0,1,1,0,0,0|1,0,0]=3 571 B23R1.120373 CCCCCCCCCCCC(=O)Nc1ccccc1C(=S)N 1626a_100000206033_100000210736 [0,1,1,0,0,0|1,1,0]=4 572 B23R1.120373 CCCCCCCCCNCC(=O)Nc1ccccc1C(=O)C 2230a_100000212291_100000183221 [0,1,1,0,0,0|1,0,1]=4 573 B23R1.120373 CCCCCCCCCNCC(=O)Nc1ccccc1C(=O)N 2230a_100000212291_100000182880 [0,1,1,0,0,0|2,0,0]=4 574 B23R1.120373 CCCCCCCCCOCC(=O)Nc1ccccc1C(=O)C 7a_100000210712_100000183221 [0,1,1,0,0,0|1,0,1]=4 575 B23R1.120373 CCCCCCCCCOCC(=O)Nc1ccccc1C(=O)N 7a_100000210712_100000182880 [0,1,1,0,0,0|2,0,0]=4 576 B23R1.120373 CCCCCCCCCSCC(=O)Nc1ccccc1C(=O)N 62a_100000182880_100000210670 [0,1,1,0,0,0|2,0,0]=4 577 B23R1.120373 CCCCCCCCNCCC(=O)Nc1ccccc1C(=O)N 2230a_100000229939_100000738100 [0,1,1,0,0,0|2,0,0]=4 578 B23R1.120373 CCCCCCCCOCCC(=O)Nc1ccccc1C(=O)N 7a_100000210232_100000738100 [0,1,1,0,0,0|2,0,0]=4 579 B23R1.120373 CCCCCCCNCCCC(=O)Nc1ccccc1C(=O)C 2230a_100000229938_100000018832 [0,1,1,0,0,0|1,0,1]=4 580 B23R1.120373 CCCCCCCOCCCC(=O)Nc1ccccc1C(=O)C 7a_100000210272_100000018832 [0,1,1,0,0,0|1,0,1]=4 581 B23R1.120373 NC(=O)c1ccccc1NC(=O)CCCCCCCCCCO 22a_100000185089_200000016029 [0,1,1,0,0,0|2,0,0]=4 582 B23R1.1110891 CCCCCCCCCCCCNc1c(cccc1C(=O)N)C 34a_100000223273_100000759014 [0,1,1,0,0,0|1,0,1]=4 583 B23R1.1110891 CCCCCCCCCCCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000759014 [0,1,1,0,0,0|1,0,1]=4 584 B23R1.1110891 CCCCCCCCCCCCNc1c(cccc1C(=O)N)F 34a_100011722151_100000759014 [0,1,1,0,0,0|1,0,1]=4 585 B23R1.1111556 CCCCCCCCCCCCNc1cccc(c1C(=O)N)C 34a_100102558177_100000759014 [0,1,1,0,0,0|1,0,1]=4 586 B23R1.1111556 CCCCCCCCCCCCNc1cccc(c1C(=O)N)C 7a_100102558177_100000759014 [0,1,1,0,0,0|1,0,1]=4 587 B23R1.1111556 CCCCCCCCCCCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000759014 [0,1,1,0,0,0|1,0,1]=4 588 B23R1.1111556 CCCCCCCCCCCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000759014 [0,1,1,0,0,0|1,0,1]=4 589 B23R1.1111556 CCCCCCCCCCCCNc1cccc(c1C(=O)N)F 27a_100000210451_100011219063 [0,1,1,0,0,0|1,0,1]=4 590 B23R1.1111556 CCCCCCCCCCCCNc1cccc(c1C(=O)N)F 34a_100000036109_100000759014 [0,1,1,0,0,0|1,0,1]=4 591 B23R1.1111556 CCCCCCCCCCCCNc1cccc(c1C(=O)N)F 7a_100000036109_100000759014 [0,1,1,0,0,0|1,0,1]=4 592 B23R1.369657 CCCCCCCCCCCC=NNC(=O)c1ccccc1C 4a_100000181371_100011218549 [0,1,1,0,0,0|2,0,0]=4 593 B23R1.369657 CCCCCCCCCCCC=NNC(=O)c1ccccc1Cl 4a_100000186534_100011218549 [0,1,1,0,0,0|2,0,0]=4 594 B23R1.369657 CCCCCCCCCCCC=NNC(=O)c1ccccc1F 4a_100000183521_100011218549 [0,1,1,0,0,0|2,0,0]=4 595 B23R1.369657 CCCCCCCCCCCC=NNC(=O)c1ccccc1I 4a_100000190081_100011218549 [0,1,1,0,0,0|2,0,0]=4 596 B23R1.369657 CCCCCCCCCOCCCNC(=O)c1ccccc1N 34a_200011191992_100011214924 [0,1,1,0,0,0|1,0,1]=4 597 B23R1.120354 CCCCCCCCCCCC(=O)Cc1cc(ccc1C=O)F 1458a_100000210736_100010132768 [0,1,1,0,0,0|2,0,0]=4 598 B23R1.368990 C=Cc1ccccc1NC(=O)CCCCCCCCCCCO 22a_100012022501_100000037981 [0,1,1,0,0,0|2,0,0]=4 599 B23R1.368990 C=Cc1ccccc1NC(=O)NCCCCCCCCCCC 2430a_100012022501_200011215754 [0,1,1,0,0,0|2,0,0]=4 600 B23R1.368990 CCCCCCCCCCCCC(=O)Cc1ccccc1C=O 1458a_100011215791_200009853537 [0,1,1,0,0,0|2,0,0]=4 601 B23R1.653127 CCCCCCCCCCCC(=O)Cc1ccc(cc1C=O)F 1458a_100000210736_100010132769 [0,1,1,0,0,0|2,0,0]=4 602 B23R1.1237304 C=Cc1ccccc1NC(=O)CC(O)CCCCCCCCC 1626a_100012022501_200012339438 [0,1,1,0,0,0|2,0,0]=4 603 B23R1.1237304 C=Cc1ccccc1NC(=O)CC(O)CCCCCCCCC 22a_100012022501_200012339438 [0,1,1,0,0,0|2,0,0]=4 604 B23R1.21989069 CCCCCCCCCCCC(=O)Cc1c(cccc1C=O)F 1458a_100000210736_100010132767 [0,1,1,0,0,0|2,0,0]=4 605 B23R2.65059 BrCCCCCCCCCOCc1ccc2ccccc2n1 34a_100009813782_100000737579 [1,1,0,0,0,0|1,0,1]=4 606 B23R2.65059 BrCCCCCCCCCOCc1ccc2ccccc2n1 7a_100009813782_100000737579 [1,1,0,0,0,0|1,0,1]=4 607 B23R2.65059 CCCCCCCCCCCNc1ccc2cccnc2n1 27a_200011215754_100000075685 [1,1,0,0,0,0|1,0,1]=4 608 B23R2.65059 CCCCCCCCCCCNc1ccc2ccncc2n1 27a_200011215754_100000020162 [1,1,0,0,0,0|1,0,1]=4 609 B23R2.65059 CCCCCCCCCCCNc1ccc2ncccc2n1 27a_200011215754_100000073381 [1,1,0,0,0,0|1,0,1]=4 610 B23R2.65059 CCCCCCCCCCCNc1cnc2ccccc2n1 27a_200011215754_100000756483 [1,1,0,0,0,0|1,0,1]=4 611 B23R2.65059 CCCCCCCCCCCNc1ncc2ccccc2n1 27a_200011215754_100000097389 [1,1,0,0,0,0|1,0,1]=4 612 B23R2.65059 CCCCCCCCCCNCc1cc2ccccc2cn1 207a_100000684558_100000059776 [1,1,0,0,0,0|2,0,0]=4 613 B23R2.65059 CCCCCCCCCCNCc1cc2ccccc2cn1 2230a_100000684558_100009869231 [1,1,0,0,0,0|2,0,0]=4 614 B23R2.65059 CCCCCCCCCCNCc1cc2ccccc2cn1 270004a_100000684558_100000059776 [1,1,0,0,0,0|2,0,0]=4 615 B23R2.65059 CCCCCCCCCCNCc1cc2ccccc2cn1 34a_100000684558_100009869231 [1,1,0,0,0,0|2,0,0]=4 616 B23R2.65059 CCCCCCCCCCNCc1ccc2ccccc2n1 207a_100000684558_100000759686 [1,1,0,0,0,0|0,0,1]=3 617 B23R2.65059 CCCCCCCCCCNCc1ccc2ccccc2n1 2230a_100000684558_100000737579 [1,1,0,0,0,0|0,0,1]=3 618 B23R2.65059 CCCCCCCCCCNCc1ccc2ccccc2n1 270004a_100000684558_100000759686 [1,1,0,0,0,0|0,0,1]=3 619 B23R2.65059 CCCCCCCCCCNCc1ccc2ccccc2n1 34a_100000684558_100000737579 [1,1,0,0,0,0|0,0,1]=3 620 B23R2.65059 CCCCCCCCCCNCc1ccc2cccnc2c1 207a_100000684558_100011784159 [1,1,0,0,0,0|2,0,0]=4 621 B23R2.65059 CCCCCCCCCCNCc1ccc2cccnc2c1 270004a_100000684558_100011784159 [1,1,0,0,0,0|2,0,0]=4 622 B23R2.65059 CCCCCCCCCCNCc1ccc2cnccc2c1 207a_100000684558_100000068276 [1,1,0,0,0,0|2,0,0]=4 623 B23R2.65059 CCCCCCCCCCNCc1ccc2cnccc2c1 2230a_100000684558_100020605334 [1,1,0,0,0,0|2,0,0]=4 624 B23R2.65059 CCCCCCCCCCNCc1ccc2cnccc2c1 270004a_100000684558_100000068276 [1,1,0,0,0,0|2,0,0]=4 625 B23R2.65059 CCCCCCCCCCNCc1ccc2cnccc2c1 34a_100000684558_100020605334 [1,1,0,0,0,0|2,0,0]=4 626 B23R2.65059 CCCCCCCCCCNCc1ccc2ncccc2c1 207a_100000684558_100000211315 [1,1,0,0,0,0|2,0,0]=4 627 B23R2.65059 CCCCCCCCCCNCc1ccc2ncccc2c1 2230a_100000684558_100000703657 [1,1,0,0,0,0|2,0,0]=4 628 B23R2.65059 CCCCCCCCCCNCc1ccc2ncccc2c1 270004a_100000684558_100000211315 [1,1,0,0,0,0|2,0,0]=4 629 B23R2.65059 CCCCCCCCCCNCc1ccc2ncccc2c1 34a_100000238500_100000210320 [1,1,0,0,0,0|2,0,0]=4 630 B23R2.65059 CCCCCCCCCCNCc1ccc2ncccc2c1 34a_100000684558_100000703657 [1,1,0,0,0,0|2,0,0]=4 631 B23R2.65059 CCCCCCCCCCNCc1cnc2ccccc2c1 207a_100000684558_100000750898 [1,1,0,0,0,0|2,0,0]=4 632 B23R2.65059 CCCCCCCCCCNCc1cnc2ccccc2c1 270004a_100000684558_100000750898 [1,1,0,0,0,0|2,0,0]=4 633 B23R2.65059 CCCCCCCCCCNCc1cnc2ccccc2c1 34a_100000742225_100000210320 [1,1,0,0,0,0|2,0,0]=4 634 B23R2.65059 CCCCCCCCCCNCc1cnc2ccccc2n1 270004a_100000684558_100000204677 [1,1,0,0,0,0|1,0,1]=4 635 B23R2.65059 CCCCCCCCCCNCc1ncc2ccccc2n1 34a_100000684558_100009868571 [1,1,0,0,0,0|1,0,1]=4 636 B23R2.65059 CCCCCCCCCCOCc1cc2ccccc2cn1 34a_100000210711_100009869231 [1,1,0,0,0,0|2,0,0]=4 637 B23R2.65059 CCCCCCCCCCOCc1cc2ccccc2cn1 7a_100000210711_100009869231 [1,1,0,0,0,0|2,0,0]=4 638 B23R2.65059 CCCCCCCCCCOCc1ccc2ccccc2n1 34a_100000210711_100000737579 [1,1,0,0,0,0|0,0,1]=3 639 B23R2.65059 CCCCCCCCCCOCc1ccc2ccccc2n1 7a_100000210711_100000737579 [1,1,0,0,0,0|0,0,1]=3 640 B23R2.65059 CCCCCCCCCCOCc1ccc2cnccc2c1 34a_100000210711_100020605334 [1,1,0,0,0,0|2,0,0]=4 641 B23R2.65059 CCCCCCCCCCOCc1ccc2cnccc2c1 7a_100000210711_100020605334 [1,1,0,0,0,0|2,0,0]=4 642 B23R2.65059 CCCCCCCCCCOCc1ccc2ncccc2c1 34a_100000210711_100000703657 [1,1,0,0,0,0|2,0,0]=4 643 B23R2.65059 CCCCCCCCCCOCc1ccc2ncccc2c1 34a_100011315636_100000210320 [1,1,0,0,0,0|2,0,0]=4 644 B23R2.65059 CCCCCCCCCCOCc1ccc2ncccc2c1 7a_100000210711_100000703657 [1,1,0,0,0,0|2,0,0]=4 645 B23R2.65059 CCCCCCCCCCOCc1cnc2ccccc2c1 34a_100011258773_100000210320 [1,1,0,0,0,0|2,0,0]=4 646 B23R2.65059 CCCCCCCCCCOCc1cnc2ccccc2n1 7a_100000210711_200000751123 [1,1,0,0,0,0|1,0,1]=4 647 B23R2.65059 CCCCCCCCCCOCc1ncc2ccccc2n1 34a_100000210711_100009868571 [1,1,0,0,0,0|1,0,1]=4 648 B23R2.65059 CCCCCCCCCCOCc1ncc2ccccc2n1 7a_100000210711_100009868571 [1,1,0,0,0,0|1,0,1]=4 649 B23R2.65059 CCCCCCCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100011214924 [1,1,0,0,0,0|1,0,0]=3 650 B23R2.65059 CCCCCCCCCNCCc1ccc2ccccc2c1 34a_100000746582_100011214924 [1,1,0,0,0,0|1,0,0]=3 651 B23R2.65059 CCCCCCCCCOCCc1ccc2ccccc2n1 34a_100011996444_100011214924 [1,1,0,0,0,0|0,0,1]=3 652 B23R2.65059 CCCCCCCCOCCOc1ccc2ccccc2c1 34a_200011219602_100000210759 [1,1,0,0,0,0|2,0,0]=4 653 B23R2.65059 CCCCCCCCOCCOc1ccc2ccccc2c1 7a_200011219602_100000210759 [1,1,0,0,0,0|2,0,0]=4 654 B23R2.65059 CCCCCCCNCCCOc1ccc2ccccc2c1 2230a_100000229938_100000750887 [1,1,0,0,0,0|2,0,0]=4 655 B23R2.65059 CCCCCCCOCCCOc1ccc2ccccc2c1 34a_100000210272_100000750887 [1,1,0,0,0,0|2,0,0]=4 656 B23R2.65059 CCCCCCCOCCCOc1ccc2ccccc2c1 7a_100000210272_100000750887 [1,1,0,0,0,0|2,0,0]=4 657 B23R2.65059 ClCCCCCCCCCOCc1ccc2ccccc2n1 34a_100009868337_100000737579 [1,1,0,0,0,0|1,0,1]=4 658 B23R2.65059 ClCCCCCCCCCOCc1ccc2ccccc2n1 7a_100009868337_100000737579 [1,1,0,0,0,0|1,0,1]=4 659 B23R2.65059 NCCCCCCCCCOCc1ccc2ccccc2c1 34a_100000078944_100011216711 [1,1,0,0,0,0|2,0,0]=4 660 B23R2.65059 NCCCCCCCCCOCc1ccc2ccccc2n1 34a_100000078944_100000737579 [1,1,0,0,0,0|1,0,1]=4 661 B23R2.65059 OCCCCCCCCCCNc1ccc2ccccc2c1 34a_100000211940_100009813290 [1,1,0,0,0,0|2,0,0]=4 662 B23R2.65059 OCCCCCCCCCCNc1ccc2ccccc2c1 7a_100000211940_100009813290 [1,1,0,0,0,0|2,0,0]=4 663 B23R2.65059 OCCCCCCCCCCNc1ccc2ccccc2n1 27a_100000066964_100011291633 [1,1,0,0,0,0|1,0,1]=4 664 B23R2.65059 OCCCCCCCCCCOc1ccc2ccccc2c1 34a_100000185828_100009813290 [1,1,0,0,0,0|2,0,0]=4 665 B23R2.65059 OCCCCCCCCCCOc1ccc2ccccc2c1 7a_100000185828_100009813290 [1,1,0,0,0,0|2,0,0]=4 666 B23R2.65059 OCCCCCCCCCCSc1ccc2ccccc2n1 62a_100009813290_100011291633 [1,1,0,0,0,0|1,0,1]=4 667 B23R2.65059 OCCCCCCCCCCSc1ccc2ccccc2n1 62a_100011291633_200000033068 [1,1,0,0,0,0|1,0,1]=4 668 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2c1 207a_100000078944_100000211584 [1,1,0,0,0,0|2,0,0]=4 669 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2c1 2230a_100000078944_100011216711 [1,1,0,0,0,0|2,0,0]=4 670 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100009813782 [1,1,0,0,0,0|2,0,0]=4 671 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2c1 270004a_100000078944_100000211584 [1,1,0,0,0,0|2,0,0]=4 672 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2c1 34a_100000078944_100011216711 [1,1,0,0,0,0|2,0,0]=4 673 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2c1 34a_100000739491_100009813782 [1,1,0,0,0,0|2,0,0]=4 674 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2n1 207a_100000078944_100000759686 [1,1,0,0,0,0|1,0,1]=4 675 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2n1 2230a_100000078944_100000737579 [1,1,0,0,0,0|1,0,1]=4 676 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2n1 270004a_100000078944_100000759686 [1,1,0,0,0,0|1,0,1]=4 677 B23R2.65059 OCCCCCCCCCNCc1ccc2ccccc2n1 34a_100000078944_100000737579 [1,1,0,0,0,0|1,0,1]=4 678 B23R2.65059 OCCCCCCCCCOCc1ccc2ccccc2c1 34a_100011215330_100009813782 [1,1,0,0,0,0|2,0,0]=4 679 B23R2.65059 OCCCCCCCCCOCc1ccc2ccccc2c1 7a_100011215330_100009813782 [1,1,0,0,0,0|2,0,0]=4 680 B23R2.65059 OCCCCCCCCCSCc1ccc2ccccc2c1 62a_100009813782_100011216711 [1,1,0,0,0,0|2,0,0]=4 681 B23R2.65059 OCCCCCCCCCSCc1ccc2ccccc2c1 62a_100011216711_100009813782 [1,1,0,0,0,0|2,0,0]=4 682 B23R2.65059 OCCCCCCCCCSCc1ccc2ccccc2n1 62a_100000737579_100009813782 [1,1,0,0,0,0|1,0,1]=4 683 B23R2.65059 OCCCCCCCCCSCc1ccc2ccccc2n1 62a_100009813782_100000737579 [1,1,0,0,0,0|1,0,1]=4 684 B23R2.65059 OCCCCCCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100000033203 [1,1,0,0,0,0|2,0,0]=4 685 B23R2.65059 OCCCCCCCCNCCc1ccc2ccccc2c1 34a_100000746582_100000033203 [1,1,0,0,0,0|2,0,0]=4 686 B23R2.65059 OCCCCCCCCOCCc1ccc2ccccc2c1 34a_100000755654_100000033203 [1,1,0,0,0,0|2,0,0]=4 687 B23R2.65059 OCCCCCCCCOCCc1ccc2ccccc2c1 7a_100000755654_100000033203 [1,1,0,0,0,0|2,0,0]=4 688 B23R2.65059 OCCCCCCCCOCCc1ccc2ccccc2n1 34a_100011996444_100000033203 [1,1,0,0,0,0|1,0,1]=4 689 B23R2.102124 CCCCCCC(C)CCOCc1ccc2ccccc2n1 34a_200011024964_100000737579 [1,1,0,0,0,0|1,0,1]=4 690 B23R2.102124 CCCCCCC(C)CCOCc1ccc2ccccc2n1 7a_200011024964_100000737579 [1,1,0,0,0,0|1,0,1]=4 691 B23R2.116843 CCCCCCCCC(C)OCc1ccc2ccccc2n1 34a_100000210740_100000737579 [1,1,0,0,0,0|1,0,1]=4 692 B23R2.116843 CCCCCCCCC(C)OCc1ccc2ccccc2n1 7a_100000210740_100000737579 [1,1,0,0,0,0|1,0,1]=4 693 B23R2.151641 CCCCCCCCCCOc1ccc2ccccc2c1N 34a_100000007056_100000210320 [1,1,0,0,0,0|2,0,0]=4 694 B23R2.151641 CCCCCCCCCCOc1ccc2ccccc2c1N 7a_100000007056_100000210320 [1,1,0,0,0,0|2,0,0]=4 695 B23R2.186394 CCCCCCCC(C)NCCc1ccc2ccccc2c1 2230a_100000746582_200011218727 [1,1,0,0,0,0|2,0,0]=4 696 B23R2.186394 CCCCCCCC(C)NCCc1ccc2ccccc2c1 270004a_100000746582_100000210596 [1,1,0,0,0,0|2,0,0]=4 697 B23R2.186394 CCCCCCCC(C)NCCc1ccc2ccccc2c1 34a_100000746582_200011218727 [1,1,0,0,0,0|2,0,0]=4 698 B23R2.186394 CCCCCCCC(C)NCCc1ccc2ccccc2n1 270004a_100011238595_100000210596 [1,1,0,0,0,0|1,0,1]=4 699 B23R2.186394 CCCCCCCC(C)OCCc1ccc2ccccc2n1 34a_100011996444_200011218727 [1,1,0,0,0,0|1,0,1]=4 700 B23R2.196941 CCCCC(C)CCCCOCc1ccc2ccccc2n1 34a_200011021034_100000737579 [1,1,0,0,0,0|1,0,1]=4 701 B23R2.196941 CCCCC(C)CCCCOCc1ccc2ccccc2n1 7a_200011021034_100000737579 [1,1,0,0,0,0|1,0,1]=4 702 B23R2.249621 CCCCCCCCCCOc1cc2ccccc2cc1N 34a_106744474703_100000210320 [1,1,0,0,0,0|2,0,0]=4 703 B23R2.249621 CCCCCCCCCCOc1cc2ccccc2cc1N 7a_106744474703_100000210320 [1,1,0,0,0,0|2,0,0]=4 704 B23R2.473884 CC(C)CCCCCCCOCc1ccc2ccccc2n1 34a_200000210741_100000737579 [1,1,0,0,0,0|1,0,1]=4 705 B23R2.473884 CC(C)CCCCCCCOCc1ccc2ccccc2n1 7a_200000210741_100000737579 [1,1,0,0,0,0|1,0,1]=4 706 B23R2.774032 CCCCCCCCCCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210320 [1,1,0,0,0,0|2,0,0]=4 707 B23R2.774032 CCCCCCCCCCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210320 [1,1,0,0,0,0|2,0,0]=4 708 B23R2.774032 CCCCCCCCCNCc1ccc2ccc(cc2n1)Cl 207a_100000212291_100000083681 [1,1,0,0,0,0|1,0,1]=4 709 B23R2.774032 CCCCCCCCCNCc1ccc2ccc(cc2n1)Cl 2230a_100000212291_100010196396 [1,1,0,0,0,0|1,0,1]=4 710 B23R2.774032 CCCCCCCCCNCc1ccc2ccc(cc2n1)Cl 270004a_100000212291_100000083681 [1,1,0,0,0,0|1,0,1]=4 711 B23R2.774032 CCCCCCCCCNCc1ccc2ccc(cc2n1)Cl 34a_100000212291_100010196396 [1,1,0,0,0,0|1,0,1]=4 712 B23R2.774040 CCCCCCCCCCNc1ccc2cccc(c2n1)O 27a_100000684558_100010153751 [1,1,0,0,0,0|1,0,1]=4 713 B23R2.774040 CCCCCCCCCCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210320 [1,1,0,0,0,0|2,0,0]=4 714 B23R2.774040 CCCCCCCCCCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210320 [1,1,0,0,0,0|2,0,0]=4 715 B23R2.774040 CCCCCCCCCNCc1ccc2cccc(c2n1)Cl 207a_100000212291_200000068262 [1,1,0,0,0,0|1,0,1]=4 716 B23R2.774040 CCCCCCCCCNCc1ccc2cccc(c2n1)Cl 270004a_100000212291_200000068262 [1,1,0,0,0,0|1,0,1]=4 717 B23R2.774040 CCCCCCCCCNCc1ccc2cccc(c2n1)F 207a_100000212291_100000068176 [1,1,0,0,0,0|1,0,1]=4 718 B23R2.774040 CCCCCCCCCNCc1ccc2cccc(c2n1)F 270004a_100000212291_100000068176 [1,1,0,0,0,0|1,0,1]=4 719 B23R2.808935 CCCCCCCCCCN(C)c1ccc2ccccc2n1 27a_100000207566_100011291633 [1,1,0,0,0,0|1,0,1]=4 720 B23R2.808935 CCCCCCCCCNC(C)c1ccc2ccccc2n1 269862a_100000212291_100000684817 [1,1,0,0,0,0|1,0,1]=4 721 B23R2.808935 CCCCCCCCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100000210759 [1,1,0,0,0,0|2,0,0]=4 722 B23R2.808935 CCCCCCCCNCC(O)c1ccc2ccccc2c1 34a_100000754022_100000210759 [1,1,0,0,0,0|2,0,0]=4 723 B23R2.941524 CCCCCCCCCC(=O)Cc1ccc2ccccc2n1 1458a_100000210558_100000737579 [1,1,0,0,0,0|0,0,2]=4 724 B23R2.941524 CCCCCCCCCN(C)Cc1ccc2ccccc2n1 2230a_100000232482_100000737579 [1,1,0,0,0,0|1,0,1]=4 725 B23R2.941524 CCCCCCCCCN(C)Cc1ccc2ccccc2n1 270004a_100000232482_100000759686 [1,1,0,0,0,0|1,0,1]=4 726 B23R2.941524 CCCCCCCCNC(C)Cc1ccc2ccccc2n1 270004a_100000229939_100011245913 [1,1,0,0,0,0|1,0,1]=4 727 B23R2.5726567 CCCCCCCCCCNc1ccc2cc(ccc2n1)F 27a_100000684558_100011998705 [1,1,0,0,0,0|1,0,1]=4 728 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2c1)O 207a_100000212291_100000067190 [1,1,0,0,0,0|2,0,0]=4 729 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2c1)O 270004a_100000212291_100000067190 [1,1,0,0,0,0|2,0,0]=4 730 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100011214924 [1,1,0,0,0,0|2,0,0]=4 731 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2n1)C 2230a_100000212291_100009884411 [1,1,0,0,0,0|1,0,1]=4 732 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2n1)C 34a_100000212291_100009884411 [1,1,0,0,0,0|1,0,1]=4 733 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2n1)Cl 207a_100000212291_100000059782 [1,1,0,0,0,0|1,0,1]=4 734 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2n1)Cl 270004a_100000212291_100000059782 [1,1,0,0,0,0|1,0,1]=4 735 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2n1)F 207a_100000212291_100000068074 [1,1,0,0,0,0|1,0,1]=4 736 B23R2.5726567 CCCCCCCCCNCc1ccc2cc(ccc2n1)F 270004a_100000212291_100000068074 [1,1,0,0,0,0|1,0,1]=4 737 B23R2.5726567 CCCCCCCCCOCc1ccc2cc(ccc2n1)C 34a_100000210712_100009884411 [1,1,0,0,0,0|1,0,1]=4 738 B23R2.5726567 CCCCCCCCCOCc1ccc2cc(ccc2n1)C 7a_100000210712_100009884411 [1,1,0,0,0,0|1,0,1]=4 739 B23R2.36853145 CCCCCCCCCCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210320 [1,1,0,0,0,0|2,0,0]=4 740 B23R2.36853145 CCCCCCCCCCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210320 [1,1,0,0,0,0|2,0,0]=4 741 B23R2.929931 CCCCCCCCCCc1cc(c2ccccc2n1)OC 271570a_100000061613_200010892118 [1,1,0,0,0,0|0,0,2]=4 742 B23R2.1482814 CCCCCCCCCCc1cc(c2ccc(cc2n1)N)C 271570a_100000061613_100000103534 [1,1,0,0,0,0|1,0,1]=4 743 B23R2.1482821 CCCCCCCCCCc1cc(=O)n2cc(ccc2n1)F 271570a_100000061613_100015492560 [1,1,0,0,0,0|1,0,1]=4 744 B23R2.1482880 CCCCCCCCCCc1nc2ccccc2c(=O)n1C 271570a_100000061613_200000215938 [1,1,0,0,0,0|1,0,1]=4 745 B23R2.42052 CCCCCCCCCCNCc1[nH]c2ccccc2c1C 270004a_100000684558_100000066550 [0,1,0,0,1,0|1,0,0]=3 746 B23R2.42052 CCCCCCCCCCNCc1oc2ccccc2c1C 207a_100000684558_100000077534 [0,1,0,0,1,0|2,0,0]=4 747 B23R2.42052 CCCCCCCCCCNCc1oc2ccccc2c1C 2230a_100153394726_100000210320 [0,1,0,0,1,0|2,0,0]=4 748 B23R2.42052 CCCCCCCCCCNCc1oc2ccccc2c1C 270004a_100000684558_100000077534 [0,1,0,0,1,0|2,0,0]=4 749 B23R2.42052 CCCCCCCCCCNCc1oc2ccccc2c1C 34a_100153394726_100000210320 [0,1,0,0,1,0|2,0,0]=4 750 B23R2.42052 Cc1c([nH]c2c1cccc2)CNCCCCCCCCCO 270004a_100000078944_100000066550 [0,1,0,0,1,0|2,0,0]=4 751 B23R2.42052 OCCCCCCCCCNCc1[nH]c2ccccc2c1Cl 270004a_100000078944_100000050720 [0,1,0,0,1,0|2,0,0]=4 752 B23R2.533928 CCCCCCCCCN(C)Cc1[nH]c2ccccc2c1C 270004a_100000232482_100000066550 [0,1,0,0,1,0|2,0,0]=4 753 B23R2.2994164 CCCCCCCCCCCNC1CC(=O)c2c1cccc2 2230a_200011215754_100010208147 [0,1,0,0,1,0|0,0,2]=4 754 B23R2.2994164 CCCCCCCCCCCNC1OC(=O)c2c1cccc2 2230a_200011215754_100009813457 [0,1,0,0,1,0|1,0,1]=4 755 B23R2.2994164 CCCCCCCCCCCOC1CC(=O)c2c1cccc2 7a_100000210809_100010208147 [0,1,0,0,1,0|0,0,2]=4 756 B23R2.2994164 CCCCCCCCCCNCc1cn(c2c1cccc2)C 34a_100011997738_100000210320 [0,1,0,0,1,0|2,0,0]=4 757 B23R2.2994164 CCCCCCCCCOCCc1cn(c2c1cccc2)C 34a_100000101561_100011214924 [0,1,0,0,1,0|2,0,0]=4 758 B23R2.2994199 CCCCCCCCCCCCc1cc(=O)n2nccc2[nH]1 271570a_100011290949_100010532499 [0,1,0,0,1,0|2,0,0]=4 759 B23R2.2994199 CCCCCCCCCCCNc1nc(=O)c2cccn2[nH]1 27a_200011215754_100021547375 [0,1,0,0,1,0|2,0,0]=4 760 B25R2.385004 CCCCCCCCCCNc1cc(c2ccccc2n1)C(=O)N 27a_100000684558_200000188934 [0,2,0,0,0,0|1,0,1]=4 761 B25R2.385004 CCCCCCCCCCSc1cc(c2ccccc2n1)C(=O)N 62a_200000188934_100000210320 [0,2,0,0,0,0|1,0,1]=4 762 B25R2.6106493 CCCCCCCCC(=O)CCCc1nc2ccccc2c(=O)[nH]1 1458a_100000261255_100000210759 [0,2,0,0,0,0|1,0,1]=4 763 B25R2.6106493 CCCCCCCCC(C)COCc1cc(=O)n2ccccc2n1 34a_200012125181_100000017730 [0,2,0,0,0,0|1,0,1]=4 764 B25R2.6106493 CCCCCCCCC(C)COCc1cc(=O)n2ccccc2n1 7a_200012125181_100000017730 [0,2,0,0,0,0|1,0,1]=4 765 B25R2.6106493 CCCCCCCCC(C)COCc1nc2ccccc2c(=O)[nH]1 7a_200012125181_100000182789 [0,2,0,0,0,0|1,0,1]=4 766 B25R2.10197367 CCCCCCCCCCC(=O)Cc1cc(=O)n2ccccc2n1 1458a_100000210375_100000017730 [0,2,0,0,0,0|1,0,1]=4 767 B25R2.10197367 CCCCCCCCCCC(=O)Cc1nc2ccccc2c(=O)[nH]1 1458a_100000210375_100000182789 [0,2,0,0,0,0|1,0,1]=4 768 B25R2.10197367 CCCCCCCCCCN(C)Cc1cc(=O)n2ccccc2n1 2230a_100000207566_100000017730 [0,2,0,0,0,0|1,0,1]=4 769 B25R2.10197367 CCCCCCCCCCN(C)Cc1cc(=O)n2ccccc2n1 269982a_100000207566_100000017730 [0,2,0,0,0,0|1,0,1]=4 770 B25R2.10197367 CCCCCCCCCCN(C)Cc1nc2ccccc2c(=O)[nH]1 2230a_100000162834_100000210320 [0,2,0,0,0,0|1,0,1]=4 771 B25R2.10197367 CCCCCCCCCCN(C)Cc1nc2ccccc2c(=O)[nH]1 2230a_100000207566_100000182789 [0,2,0,0,0,0|1,0,1]=4 772 B25R2.10197367 CCCCCCCCCCN(C)Cc1nc2ccccc2c(=O)[nH]1 269982a_100000162834_100000210320 [0,2,0,0,0,0|1,0,1]=4 773 B25R2.10197367 CCCCCCCCCCN(C)Cc1nc2ccccc2c(=O)[nH]1 269982a_100000207566_100000182789 [0,2,0,0,0,0|1,0,1]=4 774 B25R2.16596590 CCCCC#CCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_200000043322_100000090176 [0,2,0,0,0,0|0,0,1]=3 775 B25R2.16596590 CCCCCCCCCCCCNc1cc(=O)n2ccccc2n1 27a_100000210451_100000707704 [0,2,0,0,0,0|1,0,1]=4 776 B25R2.16596590 CCCCCCCCCCCCOc1cc(=O)n2ccccc2n1 34a_100000751361_100000759014 [0,2,0,0,0,0|1,0,1]=4 777 B25R2.16596590 CCCCCCCCCCCNCc1cc(=O)n2ccccc2n1 2230a_200011215754_100000017730 [0,2,0,0,0,0|1,0,1]=4 778 B25R2.16596590 CCCCCCCCCCCNCc1cc(=O)n2ccccc2n1 34a_200011215754_100000017730 [0,2,0,0,0,0|1,0,1]=4 779 B25R2.16596590 CCCCCCCCCCCNCc1nc2ccccc2c(=O)[nH]1 2230a_200011215754_100000182789 [0,2,0,0,0,0|1,0,1]=4 780 B25R2.16596590 CCCCCCCCCCCOCc1cc(=O)n2ccccc2n1 34a_100000210809_100000017730 [0,2,0,0,0,0|1,0,1]=4 781 B25R2.16596590 CCCCCCCCCCCOCc1cc(=O)n2ccccc2n1 7a_100000210809_100000017730 [0,2,0,0,0,0|1,0,1]=4 782 B25R2.16596590 CCCCCCCCCCCOCc1nc2ccccc2c(=O)[nH]1 7a_100000210809_100000182789 [0,2,0,0,0,0|1,0,1]=4 783 B25R2.16596590 CCCCCCCCCCCSCc1cc(=O)n2ccccc2n1 62a_100000017730_100011215454 [0,2,0,0,0,0|1,0,1]=4 784 B25R2.16596590 NCCCCCCCCCCOCc1cc(=O)n2ccccc2n1 34a_100000066964_100000017730 [0,2,0,0,0,0|1,0,1]=4 785 B25R2.16596590 O=c1[nH]c(cc2c1cccc2)SCCCCCCCCCCCO 62a_100009812471_200015811170 [0,2,0,0,0,0|2,0,0]=4 786 B25R2.16596590 O=c1[nH]c(nc2c1cccc2)CNCCCCCCCCCCO 2230a_100000066964_100000182789 [0,2,0,0,0,0|1,0,1]=4 787 B25R2.16596590 O=c1[nH]c(nc2c1cccc2)COCCCCCCCCCCBr 7a_100009813290_100000182789 [0,2,0,0,0,0|1,0,1]=4 788 B25R2.16596590 O=c1[nH]c(nc2c1cccc2)COCCCCCCCCCCCl 7a_200000033068_100000182789 [0,2,0,0,0,0|1,0,1]=4 789 B25R2.16596590 O=c1cc([nH]c2c1cccc2)SCCCCCCCCCCCO 62a_100009812471_100000090176 [0,2,0,0,0,0|0,0,0]=2 790 B25R2.16596590 O=c1cc(nc2n1cccc2)CNCCCCCCCCCCO 2230a_100000066964_100000017730 [0,2,0,0,0,0|1,0,1]=4 791 B25R2.16596590 O=c1cc(nc2n1cccc2)CNCCCCCCCCCCO 34a_100000066964_100000017730 [0,2,0,0,0,0|1,0,1]=4 792 B25R2.16596590 O=c1cc(nc2n1cccc2)COCCCCCCCCCCBr 34a_100009813290_100000017730 [0,2,0,0,0,0|1,0,1]=4 793 B25R2.16596590 O=c1cc(nc2n1cccc2)COCCCCCCCCCCBr 7a_100009813290_100000017730 [0,2,0,0,0,0|1,0,1]=4 794 B25R2.16596590 O=c1cc(nc2n1cccc2)COCCCCCCCCCCCl 34a_200000033068_100000017730 [0,2,0,0,0,0|1,0,1]=4 795 B25R2.16596590 O=c1cc(nc2n1cccc2)COCCCCCCCCCCCl 7a_200000033068_100000017730 [0,2,0,0,0,0|1,0,1]=4 796 B25R2.16596590 O=c1cc(nc2n1cccc2)CSCCCCCCCCCCO 62a_100000017730_200000033068 [0,2,0,0,0,0|1,0,1]=4 797 B25R2.16596590 O=c1cc(nc2n1cccc2)CSCCCCCCCCCCO 62a_100009813290_100000017730 [0,2,0,0,0,0|1,0,1]=4 798 B25R2.16596590 O=c1cc(nc2n1cccc2)OCCCCCCCCCCCO 34a_100000751361_100009812471 [0,2,0,0,0,0|1,0,1]=4 799 B25R2.16596590 O=c1cc(nc2n1cccc2)SCCCCCCCCCCCO 62a_100009812471_100000707704 [0,2,0,0,0,0|1,0,1]=4 800 B25R2.17972667 CCCCCCCCCC(=O)CCc1nc2ccccc2c(=O)[nH]1 1458a_100000182978_100000210670 [0,2,0,0,0,0|1,0,1]=4 801 B25R2.17972667 CCCCCCCCCC(C)OCc1cc(=O)n2ccccc2n1 34a_100011218016_100000017730 [0,2,0,0,0,0|1,0,1]=4 802 B25R2.17972667 CCCCCCCCCC(C)OCc1cc(=O)n2ccccc2n1 7a_100011218016_100000017730 [0,2,0,0,0,0|1,0,1]=4 803 B25R2.17972667 CCCCCCCCCC(C)OCc1nc2ccccc2c(=O)[nH]1 7a_100011218016_100000182789 [0,2,0,0,0,0|1,0,1]=4 804 B25R2.24071894 COC(=O)CCCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100010282707_100000090176 [0,2,0,0,0,0|1,0,1]=4 805 B25R2.34456184 CCCCCCCCCCNCc1cc(=O)n2ccc(cc2n1)C 2230a_100000684558_100000010441 [0,2,0,0,0,0|1,0,1]=4 806 B25R2.34456184 CCCCCCCCCCNCc1cc(=O)n2ccc(cc2n1)C 34a_100000684558_100000010441 [0,2,0,0,0,0|1,0,1]=4 807 B25R2.34456184 CCCCCCCCCCNCc1nc2cc(ccc2c(=O)[nH]1)Cl 2230a_100000684558_100000184364 [0,2,0,0,0,0|1,0,1]=4 808 B25R2.34456184 CCCCCCCCCCOCc1cc(=O)n2ccc(cc2n1)C 34a_100000210711_100000010441 [0,2,0,0,0,0|1,0,1]=4 809 B25R2.34456184 CCCCCCCCCCOCc1cc(=O)n2ccc(cc2n1)C 7a_100000210711_100000010441 [0,2,0,0,0,0|1,0,1]=4 810 B25R2.34456184 CCCCCCCCCCOCc1nc2cc(ccc2c(=O)[nH]1)Cl 7a_100000210711_100000184364 [0,2,0,0,0,0|1,0,1]=4 811 B25R2.34456184 CCCCCCCCCCSCc1cc(=O)n2ccc(cc2n1)C 62a_100000010441_100000210320 [0,2,0,0,0,0|1,0,1]=4 812 B25R2.34456190 CCCCCCCCCCCCc1cc(=O)n2cc(ccc2n1)F 271570a_100011290949_100015492560 [0,2,0,0,0,0|1,0,1]=4 813 B25R2.34456190 CCCCCCCCCCCNc1cc(=O)n2cc(ccc2n1)F 27a_200011215754_100015492560 [0,2,0,0,0,0|1,0,1]=4 814 B25R2.34456190 CCCCCCCCCCCOc1cc(=O)n2cc(ccc2n1)Br 7a_100016101194_100011215454 [0,2,0,0,0,0|1,0,1]=4 815 B25R2.34456190 CCCCCCCCCCNCc1cc(=O)n2cc(ccc2n1)C 2230a_100000684558_100000010440 [0,2,0,0,0,0|1,0,1]=4 816 B25R2.34456190 CCCCCCCCCCNCc1cc(=O)n2cc(ccc2n1)Cl 2230a_100000684558_100000017716 [0,2,0,0,0,0|1,0,1]=4 817 B25R2.34456190 CCCCCCCCCCNCc1nc2ccc(cc2c(=O)[nH]1)Br 2230a_100000684558_100000184987 [0,2,0,0,0,0|1,0,1]=4 818 B25R2.34456190 CCCCCCCCCCOCc1cc(=O)n2cc(ccc2n1)C 7a_100000210711_100000010440 [0,2,0,0,0,0|1,0,1]=4 819 B25R2.34456190 CCCCCCCCCCOCc1cc(=O)n2cc(ccc2n1)Cl 7a_100000210711_100000017716 [0,2,0,0,0,0|1,0,1]=4 820 B25R2.34456190 CCCCCCCCCCOCc1nc2ccc(cc2c(=O)[nH]1)Br 7a_100000210711_100000184987 [0,2,0,0,0,0|1,0,1]=4 821 B25R2.34456190 CCCCCCCCCCSCc1cc(=O)n2cc(ccc2n1)C 62a_100000010440_100000210320 [0,2,0,0,0,0|1,0,1]=4 822 B25R2.34456190 CCCCCCCCCCSCc1cc(=O)n2cc(ccc2n1)Cl 62a_100000017716_100000210320 [0,2,0,0,0,0|1,0,1]=4 823 B25R2.34456219 CCCCCCCCCCNCc1cc(=O)n2cccc(c2n1)C 2230a_100000684558_100000010971 [0,2,0,0,0,0|1,0,1]=4 824 B25R2.34456219 CCCCCCCCCCNCc1nc2c(cccc2c(=O)[nH]1)C 2230a_100000684558_100000204627 [0,2,0,0,0,0|1,0,1]=4 825 B25R2.34456219 CCCCCCCCCCOCc1cc(=O)n2cccc(c2n1)C 7a_100000210711_100000010971 [0,2,0,0,0,0|1,0,1]=4 826 B25R2.34456219 CCCCCCCCCCOCc1cc(=O)n2cccc(c2n1)O 7a_100000210711_200010191273 [0,2,0,0,0,0|1,0,1]=4 827 B25R2.34456219 CCCCCCCCCCOCc1nc2c(cccc2c(=O)[nH]1)C 7a_100000210711_100000204627 [0,2,0,0,0,0|1,0,1]=4 828 B25R2.34456219 CCCCCCCCCCSCc1cc(=O)n2cccc(c2n1)C 62a_100000010971_100000210320 [0,2,0,0,0,0|1,0,1]=4 829 B25R2.34456222 CCCCCCCCCCCCc1nc2ccccc2c(=O)n1C 271570a_100011290949_200000215938 [0,2,0,0,0,0|1,0,1]=4 830 B25R2.34456222 CCCCCCCCCCCNc1nc2ccccc2c(=O)n1C 27a_200011215754_200000215938 [0,2,0,0,0,0|1,0,1]=4 831 B25R2.34456222 CCCCCCCCCCNCc1nc2ccccn2c(=O)c1Br 2230a_100000684558_100010128405 [0,2,0,0,0,0|1,0,1]=4 832 B25R2.34456222 CCCCCCCCCCOCc1nc2ccccn2c(=O)c1Br 7a_100000210711_100010128405 [0,2,0,0,0,0|1,0,1]=4 833 B25R2.34456222 CCCCCCCCCCSCc1nc2ccccn2c(=O)c1Br 62a_100010128405_100000210320 [0,2,0,0,0,0|1,0,1]=4 834 B25R2.324913322 CCCCCCCCCCNCc1cc(=O)n2c(cccc2n1)C 2230a_100000684558_100000016170 [0,2,0,0,0,0|1,0,1]=4 835 B25R2.324913322 CCCCCCCCCCOCc1cc(=O)n2c(cccc2n1)C 7a_100000210711_100000016170 [0,2,0,0,0,0|1,0,1]=4 836 B25R2.324913322 CCCCCCCCCCSCc1cc(=O)n2c(cccc2n1)C 62a_100000016170_100000210320 [0,2,0,0,0,0|1,0,1]=4 837 B25R2.87408994 CCCCCCCCCNCc1cc(=O)c2c(ccc(c2[nH]1)C)C 2230a_100000212291_100000123005 [0,2,0,0,0,0|1,0,0]=3 838 B25R2.87408994 CCCCCCCCCNCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_100000212291_100000123005 [0,2,0,0,0,0|1,0,0]=3 839 B25R2.87408994 CCCCCCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_100000210712_100000123005 [0,2,0,0,0,0|1,0,0]=3 840 B25R2.87408994 CCCCCCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 7a_100000210712_100000123005 [0,2,0,0,0,0|1,0,0]=3 841 B25R2.87408994 CCCCCCOCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_100000691444_100000123005 [0,2,0,0,0,0|2,0,0]=4 842 B25R2.87408994 CCCCCCOCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 7a_100000691444_100000123005 [0,2,0,0,0,0|2,0,0]=4 843 B25R2.87408994 CCCCNCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_200011216965_100000123005 [0,2,0,0,0,0|2,0,0]=4 844 B25R2.87408994 CCCCOCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_200000760531_100000123005 [0,2,0,0,0,0|2,0,0]=4 845 B25R2.87408994 CCCCOCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 7a_200000760531_100000123005 [0,2,0,0,0,0|2,0,0]=4 846 B25R2.87408994 Cc1ccc(c2c1[nH]c(cc2=O)CNCCCCCCCCO)C 2230a_102515433106_100000123005 [0,2,0,0,0,0|2,0,0]=4 847 B25R2.87408994 Cc1ccc(c2c1[nH]c(cc2=O)CNCCCCCCCCO)C 34a_102515433106_100000123005 [0,2,0,0,0,0|2,0,0]=4 848 B25R2.87408994 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCBr)C 34a_100009813846_100000123005 [0,2,0,0,0,0|2,0,0]=4 849 B25R2.87408994 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCBr)C 7a_100009813846_100000123005 [0,2,0,0,0,0|2,0,0]=4 850 B25R2.87408994 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCCl)C 34a_100000033203_100000123005 [0,2,0,0,0,0|2,0,0]=4 851 B25R2.87408994 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCCl)C 7a_100000033203_100000123005 [0,2,0,0,0,0|2,0,0]=4 852 B25R2.87408994 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCN)C 34a_102515433106_100000123005 [0,2,0,0,0,0|2,0,0]=4 853 B25R2.87408994 Cc1ccc(c2c1[nH]c(cc2=O)CSCCCCCCCCO)C 62a_100000033203_100000123005 [0,2,0,0,0,0|2,0,0]=4 854 B23R2.28236 CCCCCCCCCNCc1cccn1c2ccccc2 270004a_100000212291_100011302056 [0,0,1,1,0,0|2,0,0]=4 855 B23R2.28236 CCCCCCCCCNCc1ccnn1c2ccccc2 207a_100000212291_100000708484 [0,0,1,1,0,0|2,0,0]=4 856 B23R2.28236 CCCCCCCCCNCc1ccnn1c2ccccc2 270004a_100000212291_100000708484 [0,0,1,1,0,0|2,0,0]=4 857 B23R2.28236 CCCCCCCCCNCc1ccnn1c2ccccc2 34a_102515433097_100011214924 [0,0,1,1,0,0|2,0,0]=4 858 B23R3.446355 CCCC1CCCCC1NCc2ccc3ccccc3c2 269862a_100000739491_100011218038 [1,0,0,1,0,0|2,0,0]=4 859 B23R3.446355 CCCC1CCCCC1NCc2ccc3ccccc3c2 270004a_100000739491_100011218038 [1,0,0,1,0,0|2,0,0]=4 860 B23R3.446355 CCCC1CCCCC1OCc2ccc3ccccc3c2 34a_100011217265_100011216711 [1,0,0,1,0,0|2,0,0]=4 861 B23R3.446355 CCCC1CCCCC1OCc2ccc3ccccc3c2 7a_100011217265_100011216711 [1,0,0,1,0,0|2,0,0]=4 862 B23R3.446355 CCCC1CCCCC1OCc2ccc3ccccc3n2 34a_100011217265_100000737579 [1,0,0,1,0,0|1,0,1]=4 863 B23R3.446355 CCCC1CCCCC1OCc2ccc3ccccc3n2 7a_100011217265_100000737579 [1,0,0,1,0,0|1,0,1]=4 864 B23R3.1004903 CCCC1CCCC1NCCc2ccc3ccccc3c2 269862a_100000746582_100000723119 [1,0,0,1,0,0|2,0,0]=4 865 B23R3.1004903 CCCC1CCCC1NCCc2ccc3ccccc3c2 270004a_100000746582_100000723119 [1,0,0,1,0,0|2,0,0]=4 866 B23R3.1004903 CCCC1CCCC1NCCc2ccc3ccccc3n2 269862a_100011238595_100000723119 [1,0,0,1,0,0|1,0,1]=4 867 B23R3.1004903 CCCC1CCCC1NCCc2ccc3ccccc3n2 270004a_100011238595_100000723119 [1,0,0,1,0,0|1,0,1]=4 868 B23R3.1111242 CCCCC1CCCC1NCc2ccc3ccccc3c2 269862a_100000739491_100000750825 [1,0,0,1,0,0|2,0,0]=4 869 B23R3.1111242 CCCCC1CCCC1NCc2ccc3ccccc3c2 270004a_100000739491_100000750825 [1,0,0,1,0,0|2,0,0]=4 870 B23R3.1974179 c1ccc2cc(ccc2c1)CCNCCCC3CCCC3 2230a_100000746582_100011713738 [1,0,0,1,0,0|2,0,0]=4 871 B23R3.1974179 c1ccc2cc(ccc2c1)CCNCCCC3CCCC3 34a_100000746582_100011713738 [1,0,0,1,0,0|2,0,0]=4 872 B23R3.1974179 c1ccc2cc(ccc2c1)CCOCCCC3CCCC3 34a_100000755654_100011713738 [1,0,0,1,0,0|2,0,0]=4 873 B23R3.1974179 c1ccc2cc(ccc2c1)CCOCCCC3CCCC3 7a_100000755654_100011713738 [1,0,0,1,0,0|2,0,0]=4 874 B23R3.1974179 c1ccc2nc(ccc2c1)CCOCCCC3CCCC3 34a_100011996444_100011713738 [1,0,0,1,0,0|1,0,1]=4 875 B23R3.1974307 c1ccc2cc(ccc2c1)CCNCCC3CCCCC3 2230a_100000746582_100012355289 [1,0,0,1,0,0|2,0,0]=4 876 B23R3.1974307 c1ccc2cc(ccc2c1)CCNCCC3CCCCC3 270004a_100000746582_100011713444 [1,0,0,1,0,0|2,0,0]=4 877 B23R3.1974307 c1ccc2cc(ccc2c1)CCNCCC3CCCCC3 34a_100000746582_100011209188 [1,0,0,1,0,0|2,0,0]=4 878 B23R3.1974307 c1ccc2cc(ccc2c1)CCOCCC3CCCCC3 34a_100000755654_100011209188 [1,0,0,1,0,0|2,0,0]=4 879 B23R3.1974307 c1ccc2cc(ccc2c1)CCOCCC3CCCCC3 7a_100000755654_100011273959 [1,0,0,1,0,0|2,0,0]=4 880 B23R3.1974307 c1ccc2cc(ccc2c1)CNCCCC3CCCCC3 207a_100011211642_100000211584 [1,0,0,1,0,0|2,0,0]=4 881 B23R3.1974307 c1ccc2cc(ccc2c1)CNCCCC3CCCCC3 2230a_100000739491_100011713725 [1,0,0,1,0,0|2,0,0]=4 882 B23R3.1974307 c1ccc2cc(ccc2c1)CNCCCC3CCCCC3 2230a_100011211642_100011216711 [1,0,0,1,0,0|2,0,0]=4 883 B23R3.1974307 c1ccc2cc(ccc2c1)CNCCCC3CCCCC3 270004a_100011211642_100000211584 [1,0,0,1,0,0|2,0,0]=4 884 B23R3.1974307 c1ccc2cc(ccc2c1)CNCCCC3CCCCC3 34a_100000739491_100011713725 [1,0,0,1,0,0|2,0,0]=4 885 B23R3.1974307 c1ccc2cc(ccc2c1)CNCCCC3CCCCC3 34a_100011211642_100011216711 [1,0,0,1,0,0|2,0,0]=4 886 B23R3.1974307 c1ccc2cc(ccc2c1)COCCCC3CCCCC3 34a_100000198086_100011216711 [1,0,0,1,0,0|2,0,0]=4 887 B23R3.1974307 c1ccc2cc(ccc2c1)COCCCC3CCCCC3 34a_100011215330_100011713725 [1,0,0,1,0,0|2,0,0]=4 888 B23R3.1974307 c1ccc2cc(ccc2c1)COCCCC3CCCCC3 7a_100000198086_100011216711 [1,0,0,1,0,0|2,0,0]=4 889 B23R3.1974307 c1ccc2cc(ccc2c1)COCCCC3CCCCC3 7a_100011215330_100011713725 [1,0,0,1,0,0|2,0,0]=4 890 B23R3.1974307 c1ccc2nc(ccc2c1)CCNCCC3CCCCC3 270004a_100011238595_100011713444 [1,0,0,1,0,0|1,0,1]=4 891 B23R3.1974307 c1ccc2nc(ccc2c1)CCOCCC3CCCCC3 34a_100011996444_100011209188 [1,0,0,1,0,0|1,0,1]=4 892 B23R3.1974307 c1ccc2nc(ccc2c1)CNCCCC3CCCCC3 207a_100011211642_100000759686 [1,0,0,1,0,0|1,0,1]=4 893 B23R3.1974307 c1ccc2nc(ccc2c1)CNCCCC3CCCCC3 2230a_100011211642_100000737579 [1,0,0,1,0,0|1,0,1]=4 894 B23R3.1974307 c1ccc2nc(ccc2c1)CNCCCC3CCCCC3 270004a_100011211642_100000759686 [1,0,0,1,0,0|1,0,1]=4 895 B23R3.1974307 c1ccc2nc(ccc2c1)CNCCCC3CCCCC3 34a_100011211642_100000737579 [1,0,0,1,0,0|1,0,1]=4 896 B23R3.1974307 c1ccc2nc(ccc2c1)COCCCC3CCCCC3 34a_100000198086_100000737579 [1,0,0,1,0,0|1,0,1]=4 897 B23R3.1974307 c1ccc2nc(ccc2c1)COCCCC3CCCCC3 7a_100000198086_100000737579 [1,0,0,1,0,0|1,0,1]=4 898 B23R3.1974307 c1ccc2nc(ccc2c1)CSCCCC3CCCCC3 62a_100000737579_100011713725 [1,0,0,1,0,0|1,0,1]=4 899 B23R3.1974307 c1ccc2nc(ccc2c1)CSCCCC3CCCCC3 62a_100011713725_100000737579 [1,0,0,1,0,0|1,0,1]=4 900 B23R3.2051824 CCC1CCCCC1NCCc2ccc3ccccc3c2 269862a_100000746582_100000757040 [1,0,0,1,0,0|2,0,0]=4 901 B23R3.2051824 CCC1CCCCC1NCCc2ccc3ccccc3c2 270004a_100000746582_100000757040 [1,0,0,1,0,0|2,0,0]=4 902 B23R3.2051824 CCC1CCCCC1NCCc2ccc3ccccc3n2 269862a_100011238595_100000757040 [1,0,0,1,0,0|1,0,1]=4 903 B23R3.2051824 CCC1CCCCC1NCCc2ccc3ccccc3n2 270004a_100011238595_100000757040 [1,0,0,1,0,0|1,0,1]=4 904 B23R3.3057785 c1ccc2cc(ccc2c1)CNC3CCCCCCCC3 270004a_100000739491_100000038600 [1,0,0,1,0,0|2,0,0]=4 905 B23R3.3058212 c1ccc2cc(ccc2c1)CCNC3CCCCCCC3 270004a_100000746582_100000210524 [1,0,0,1,0,0|2,0,0]=4 906 B23R3.3058212 c1ccc2cc(ccc2c1)COCC3CCCCCCC3 34a_100011216312_100011216711 [1,0,0,1,0,0|2,0,0]=4 907 B23R3.3058212 c1ccc2cc(ccc2c1)COCC3CCCCCCC3 7a_100011216312_100011216711 [1,0,0,1,0,0|2,0,0]=4 908 B23R3.3058212 c1ccc2nc(ccc2c1)CCNC3CCCCCCC3 270004a_100011238595_100000210524 [1,0,0,1,0,0|1,0,1]=4 909 B23R3.3058212 c1ccc2nc(ccc2c1)COCC3CCCCCCC3 34a_100011216312_100000737579 [1,0,0,1,0,0|1,0,1]=4 910 B23R3.3058212 c1ccc2nc(ccc2c1)COCC3CCCCCCC3 7a_100011216312_100000737579 [1,0,0,1,0,0|1,0,1]=4 911 B23R3.3058212 c1ccc2nc(ccc2c1)NCCC3CCCCCCC3 27a_100011532352_100011291633 [1,0,0,1,0,0|1,0,1]=4 912 B23R3.3058314 c1ccc2cc(ccc2c1)CCNCC3CCCCCC3 2230a_100000746582_200000696569 [1,0,0,1,0,0|2,0,0]=4 913 B23R3.3058314 c1ccc2cc(ccc2c1)CCNCC3CCCCCC3 269862a_100000746582_200000763224 [1,0,0,1,0,0|2,0,0]=4 914 B23R3.3058314 c1ccc2cc(ccc2c1)CCNCC3CCCCCC3 34a_100000746582_200000696569 [1,0,0,1,0,0|2,0,0]=4 915 B23R3.3058314 c1ccc2cc(ccc2c1)CCOCC3CCCCCC3 34a_100000755654_200000696569 [1,0,0,1,0,0|2,0,0]=4 916 B23R3.3058314 c1ccc2cc(ccc2c1)CCOCC3CCCCCC3 7a_100000755654_200000696569 [1,0,0,1,0,0|2,0,0]=4 917 B23R3.3058314 c1ccc2cc(ccc2c1)CNCCC3CCCCCC3 207a_100011532351_100000211584 [1,0,0,1,0,0|2,0,0]=4 918 B23R3.3058314 c1ccc2cc(ccc2c1)CNCCC3CCCCCC3 2230a_100011532351_100011216711 [1,0,0,1,0,0|2,0,0]=4 919 B23R3.3058314 c1ccc2cc(ccc2c1)CNCCC3CCCCCC3 270004a_100011532351_100000211584 [1,0,0,1,0,0|2,0,0]=4 920 B23R3.3058314 c1ccc2cc(ccc2c1)CNCCC3CCCCCC3 34a_100011532351_100011216711 [1,0,0,1,0,0|2,0,0]=4 921 B23R3.3058314 c1ccc2nc(ccc2c1)CCNCC3CCCCCC3 269862a_100011238595_200000763224 [1,0,0,1,0,0|1,0,1]=4 922 B23R3.3058314 c1ccc2nc(ccc2c1)CCOCC3CCCCCC3 34a_100011996444_200000696569 [1,0,0,1,0,0|1,0,1]=4 923 B23R3.3058314 c1ccc2nc(ccc2c1)CNCCC3CCCCCC3 207a_100011532351_100000759686 [1,0,0,1,0,0|1,0,1]=4 924 B23R3.3058314 c1ccc2nc(ccc2c1)CNCCC3CCCCCC3 2230a_100011532351_100000737579 [1,0,0,1,0,0|1,0,1]=4 925 B23R3.3058314 c1ccc2nc(ccc2c1)CNCCC3CCCCCC3 270004a_100011532351_100000759686 [1,0,0,1,0,0|1,0,1]=4 926 B23R3.3058314 c1ccc2nc(ccc2c1)CNCCC3CCCCCC3 34a_100011532351_100000737579 [1,0,0,1,0,0|1,0,1]=4 927 B23R3.4555502 CCCCCCNC1CCCc2c1c3c(cc2)cccc3 269862a_100000210581_100000061332 [1,0,0,1,0,0|2,0,0]=4 928 B23R3.304886 CN1CCCCC1CCSc2cc(=O)c3ccccc3[nH]2 62a_100000211948_100000090176 [1,0,0,1,0,0|2,0,0]=4 929 B23R3.760911 O=c1cc([nH]c2c1cccc2)SCCCC3CCCCC3 62a_100011713725_100000090176 [1,0,0,1,0,0|1,0,0]=3 930 B23R3.760911 O=c1cc([nH]c2c1cccc2)SCCCN3CCCCC3 62a_100132302099_100000090176 [1,0,0,1,0,0|2,0,0]=4 931 B23R3.760911 O=c1cc([nH]c2c1cccc2)SCCOC3CCCCC3 62a_100011211530_100000090176 [1,0,0,1,0,0|2,0,0]=4 932 B23R3.138812927 O=c1cc([nH]c2c1cccc2)SCCN3CCCCCC3 62a_100000722644_100000090176 [1,0,0,1,0,0|2,0,0]=4 933 B23R3.27586 Cc1c([nH]c2c1cccc2)CNCCCC3CCCCC3 270004a_100011211642_100000066550 [0,0,0,1,1,0|2,0,0]=4 934 B23R3.27586 Clc1c([nH]c2c1cccc2)CNCCCC3CCCCC3 270004a_100011211642_100000050720 [0,0,0,1,1,0|2,0,0]=4 935 B23R3.246549 CCCCCCCCN1CCc2[nH]c3ccccc3c2C1 2230a_100000239914_100000210759 [0,0,0,1,1,0|2,0,0]=4 936 B23R3.246549 CCCCCCCCN1CCc2[nH]c3ccccc3c2C1 269982a_100000239914_100000210759 [0,0,0,1,1,0|2,0,0]=4 937 B23R3.246549 CCCCCCCNC1CCc2[nH]c3ccccc3c2C1 270004a_100000229938_200102525245 [0,0,0,1,1,0|2,0,0]=4 938 B23R3.246549 CCCCCCCN[C@@H]1CCc2[nH]c3ccccc3c2C1 2230a_100015190494_100000210681 [0,0,0,1,1,0|2,0,0]=4 939 B23R3.1404543 CCCCCCCCNC1Cc2[nH]c3ccccc3c2C1 2230a_100009852730_100000210759 [0,0,0,1,1,0|2,0,0]=4 940 B23R3.10895719 Cc1c([nH]c2c1cccc2)CNCCC3CCCCCC3 270004a_100011532351_100000066550 [0,0,0,1,1,0|2,0,0]=4 941 B23R3.10895719 Clc1c([nH]c2c1cccc2)CNCCC3CCCCCC3 270004a_100011532351_100000050720 [0,0,0,1,1,0|2,0,0]=4 942 B25R3.3642524 O=c1[nH]c(nc2c1cccc2)COCCCCC3CCCCC3 7a_100011215267_100000182789 [0,1,0,1,0,0|1,0,1]=4 943 B25R3.3642524 O=c1cc([nH]c2c1cccc2)SCCCCOC3CCCCO3 62a_100000031530_100000090176 [0,1,0,1,0,0|2,0,0]=4 944 B25R3.3642524 O=c1cc(nc2n1cccc2)COCCCCC3CCCCC3 34a_100011215267_100000017730 [0,1,0,1,0,0|1,0,1]=4 945 B25R3.3642524 O=c1cc(nc2n1cccc2)COCCCCC3CCCCC3 7a_100011215267_100000017730 [0,1,0,1,0,0|1,0,1]=4 946 B25R3.214368476 O=c1[nH]c(nc2c1cccc2)CNCCC3CCCCCCC3 2230a_100011532352_100000182789 [0,1,0,1,0,0|1,0,1]=4 947 B25R3.214368476 O=c1cc(nc2n1cccc2)CNCCC3CCCCCCC3 2230a_100011532352_100000017730 [0,1,0,1,0,0|1,0,1]=4 948 B25R3.214368476 O=c1cc(nc2n1cccc2)CNCCC3CCCCCCC3 34a_100011532352_100000017730 [0,1,0,1,0,0|1,0,1]=4 949 B21R2.196 CCCCCCCCCNCc1coc2c1cccc2 207a_100000212291_100000688544 [1,0,0,0,1,0|2,0,0]=4 950 B21R2.196 CCCCCCCCCNCc1coc2c1cccc2 270004a_100000212291_100000688544 [1,0,0,0,1,0|2,0,0]=4 951 B21R2.196 CCCCCCCCCNCc1csc2c1cccc2 207a_100000212291_100000239721 [1,0,0,0,1,0|2,0,0]=4 952 B21R2.196 CCCCCCCCCNCc1csc2c1cccc2 2230a_100000212291_200000742921 [1,0,0,0,1,0|2,0,0]=4 953 B21R2.196 CCCCCCCCCNCc1csc2c1cccc2 270004a_100000212291_100000239721 [1,0,0,0,1,0|2,0,0]=4 954 B21R2.196 CCCCCCCCCNCc1csc2c1cccc2 34a_100000212291_200000742921 [1,0,0,0,1,0|2,0,0]=4 955 B21R2.196 CCCCCCCCCNCc1csc2c1cccc2 34a_100000744611_100011214924 [1,0,0,0,1,0|2,0,0]=4 956 B21R2.196 CCCCCCCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210759 [1,0,0,0,1,0|2,0,0]=4 957 B21R2.196 CCCCCCCCNCCc1c[nH]c2c1cccc2 2230a_100000229939_100011218569 [1,0,0,0,1,0|2,0,0]=4 958 B21R2.196 CCCCCCCCNCCc1c[nH]c2c1cccc2 34a_100000229939_100011218569 [1,0,0,0,1,0|2,0,0]=4 959 B21R2.196 CCCCCCCCNCCc1coc2c1cccc2 2230a_100011934666_100000210759 [1,0,0,0,1,0|2,0,0]=4 960 B21R2.196 CCCCCCCCNCCc1coc2c1cccc2 34a_100011934666_100000210759 [1,0,0,0,1,0|2,0,0]=4 961 B21R2.196 CCCCCCCCOCCc1c[nH]c2c1cccc2 34a_100000210232_100011218569 [1,0,0,0,1,0|2,0,0]=4 962 B21R2.196 CCCCCCCCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210759 [1,0,0,0,1,0|2,0,0]=4 963 B21R2.196 CCCCCCCCOCCc1c[nH]c2c1cccc2 7a_100000210232_100011218569 [1,0,0,0,1,0|2,0,0]=4 964 B21R2.196 CCCCCCCCOCCn1ccc2c1cccc2 34a_100011926976_100000210759 [1,0,0,0,1,0|2,0,0]=4 965 B21R2.196 CCCCCCCCSCCc1c[nH]c2c1cccc2 62a_100000210759_100011218569 [1,0,0,0,1,0|2,0,0]=4 966 B21R2.196 CCCCCCCNCCCn1ccc2c1cccc2 34a_100000185030_100000210614 [1,0,0,0,1,0|2,0,0]=4 967 B21R2.196 CCCCCCCOCCCc1c[nH]c2c1cccc2 34a_100102524900_100000210614 [1,0,0,0,1,0|2,0,0]=4 968 B21R2.7365 CCCCCCCCCCNc1nc2ccccc2[nH]1 27a_100000684558_100009814255 [1,0,0,0,1,0|2,0,0]=4 969 B21R2.7365 CCCCCCCCCNCc1cc2ccccc2[nH]1 270004a_100000212291_100000051030 [1,0,0,0,1,0|1,0,0]=3 970 B21R2.7365 CCCCCCCCCNCc1cc2ccccc2o1 207a_100000212291_100000229944 [1,0,0,0,1,0|2,0,0]=4 971 B21R2.7365 CCCCCCCCCNCc1cc2ccccc2o1 270004a_100000212291_100000229944 [1,0,0,0,1,0|2,0,0]=4 972 B21R2.7365 CCCCCCCCCNCc1cc2ccccc2s1 207a_100000212291_100000686906 [1,0,0,0,1,0|2,0,0]=4 973 B21R2.7365 CCCCCCCCCNCc1cc2ccccc2s1 2230a_100015187092_100011214924 [1,0,0,0,1,0|2,0,0]=4 974 B21R2.7365 CCCCCCCCCNCc1cc2ccccc2s1 270004a_100000212291_100000686906 [1,0,0,0,1,0|2,0,0]=4 975 B21R2.7365 CCCCCCCCCNCc1cc2cccnc2[nH]1 207a_100000212291_100000088027 [1,0,0,0,1,0|2,0,0]=4 976 B21R2.7365 CCCCCCCCCNCc1cc2cccnc2[nH]1 270004a_100000212291_100000088027 [1,0,0,0,1,0|2,0,0]=4 977 B21R2.7365 CCCCCCCCCNCc1cc2ccncc2[nH]1 270004a_100000212291_200000084276 [1,0,0,0,1,0|2,0,0]=4 978 B21R2.7365 CCCCCCCCCNCc1nc2ccccc2[nH]1 207a_100000212291_100000185668 [1,0,0,0,1,0|2,0,0]=4 979 B21R2.7365 CCCCCCCCCNCc1nc2ccccc2[nH]1 2230a_100000212291_100000737899 [1,0,0,0,1,0|2,0,0]=4 980 B21R2.7365 CCCCCCCCCNCc1nc2ccccc2[nH]1 270004a_100000212291_100000185668 [1,0,0,0,1,0|2,0,0]=4 981 B21R2.7365 CCCCCCCCCOCc1cc2ccccc2o1 34a_100000233474_100011214924 [1,0,0,0,1,0|2,0,0]=4 982 B21R2.7365 CCCCCCCCCOCc1cc2ccccc2o1 7a_100000233474_100000210328 [1,0,0,0,1,0|2,0,0]=4 983 B21R2.7365 CCCCCCCCCOCc1nc2ccccc2[nH]1 7a_100000210712_100000737899 [1,0,0,0,1,0|2,0,0]=4 984 B21R2.7365 CCCCCCCCOCCc1cc2ccccc2o1 34a_100011996023_100000210759 [1,0,0,0,1,0|2,0,0]=4 985 B21R2.7365 CCCCCCCCOCCc1cc2ccccc2o1 7a_100011996023_100000210759 [1,0,0,0,1,0|2,0,0]=4 986 B21R2.7365 CCCCCCCCOCCc1nc2ccccc2[nH]1 7a_100000210232_100015206048 [1,0,0,0,1,0|2,0,0]=4 987 B21R2.7365 CCCCCCCCSCCc1nc2ccccc2[nH]1 62a_100000210759_100015206048 [1,0,0,0,1,0|2,0,0]=4 988 B21R2.7365 OCCCCCCCCCSc1cc2ccccc2[nH]1 62a_100009813782_100010232065 [1,0,0,0,1,0|2,0,0]=4 989 B21R2.7365 OCCCCCCCCNCc1cc2ccccc2[nH]1 270004a_102515433106_100000051030 [1,0,0,0,1,0|2,0,0]=4 990 B21R2.24507 CCCCCCCCNCc1[nH]c2ccccc2c1C 270004a_100000229939_100000066550 [1,0,0,0,1,0|2,0,0]=4 991 B21R2.24507 CCCCCCCCNCc1[nH]c2ccccc2c1Cl 270004a_100000229939_100000050720 [1,0,0,0,1,0|2,0,0]=4 992 B21R2.472423 CCCCCCCCCCc1cc(=O)n2nccc2[nH]1 271570a_100000061613_100010532499 [1,0,0,0,1,0|2,0,0]=4 993 B23R1.38978 CCCCCCCCCCCC(=NNC(=O)c1ccccc1)C 4a_100000184135_100011216755 [0,0,1,0,0,1|2,0,0]=4 994 B23R1.38978 CCCCCCCCCCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100011215454 [0,0,1,0,0,1|1,0,1]=4 995 B23R1.38978 CCCCCCCCCCCC(=O)COC(=O)c1ccccc1 1458a_100000210736_100000073877 [0,0,1,0,0,1|1,0,1]=4 996 B23R1.38978 CCCCCCCCCCCC(=O)NNC(=O)c1ccccc1 22a_100000184135_100000210736 [0,0,1,0,0,1|2,0,0]=4 997 B23R1.38978 CCCCCCCCCCCC(=O)OCC(=O)c1ccccc1 1458a_100000185807_100020644155 [0,0,1,0,0,1|1,0,1]=4 998 B23R1.78180 CCCCCCCCCCCC(=O)CC(=O)Cc1ccccc1 1458a_100000210736_100000233483 [0,0,1,0,0,1|1,0,1]=4 999 B23R1.78180 CCCCCCCCCCCC(=O)CC(=O)Nc1ccccc1 1458a_100000210736_100000182850 [0,0,1,0,0,1|1,0,1]=4 1000 B23R1.78180 CCCCCCCCCCCC(=O)CC(=O)Oc1ccccc1 1458a_100000210736_100009813826 [0,0,1,0,0,1|1,0,1]=4 1001 B23R1.17792 CCCCCCCCCCCCNc1ccccc1NC(=O)C 34a_100011193560_100000759014 [0,0,1,0,0,1|0,0,2]=4 1002 B23R1.78133 CCCCCCCCCCCC(=O)CCc1ccccc1C=O 1458a_100000210736_100010186698 [0,0,1,0,0,1|2,0,0]=4 1003 B23R2.4789385 CCCCCCCCCCOc1ccc(c2c1cccc2)N 34a_100000705857_100000210320 [0,0,0,0,1,1|2,0,0]=4 1004 B23R2.4789385 CCCCCCCCCCOc1ccc(c2c1cccc2)N 7a_100000705857_100000210320 [0,0,0,0,1,1|2,0,0]=4 1005 B23R2.4789385 CCCCCCCCCNCc1c[nH]c(=O)c2c1cccc2 270004a_100000212291_100009868339 [0,0,0,0,1,1|1,0,0]=3 1006 B23R2.4789385 CCCCCCCCCNCc1ccc(c2c1cccc2)C 207a_100000212291_100000188529 [0,0,0,0,1,1|2,0,0]=4 1007 B23R2.4789385 CCCCCCCCCNCc1ccc(c2c1cccc2)C 2230a_100000212291_100012073487 [0,0,0,0,1,1|2,0,0]=4 1008 B23R2.4789385 CCCCCCCCCNCc1ccc(c2c1cccc2)C 270004a_100000212291_100000188529 [0,0,0,0,1,1|2,0,0]=4 1009 B23R2.4789385 CCCCCCCCCNCc1ccc(c2c1cccc2)C 34a_100000212291_100012073487 [0,0,0,0,1,1|2,0,0]=4 1010 B23R2.4789385 CCCCCCCCCNCc1ccc(c2c1cccc2)F 207a_100000212291_100011934225 [0,0,0,0,1,1|2,0,0]=4 1011 B23R2.4789385 CCCCCCCCCNCc1ccc(c2c1cccc2)F 2230a_100000212291_100011988723 [0,0,0,0,1,1|2,0,0]=4 1012 B23R2.4789385 CCCCCCCCCNCc1ccc(c2c1cccc2)F 270004a_100000212291_100011934225 [0,0,0,0,1,1|2,0,0]=4 1013 B23R2.4789385 CCCCCCCCCNCc1ccc(c2c1cccc2)F 34a_100000212291_100011988723 [0,0,0,0,1,1|2,0,0]=4 1014 B23R2.4789385 O=c1[nH]cc(c2c1cccc2)CNCCCCCCCCO 270004a_102515433106_100009868339 [0,0,0,0,1,1|2,0,0]=4 1015 B20R1.288 CCCCCCCCCCCNC(=O)c1ccccc1 11a_200011215754_100000185807 [2,0,1,0,0,0|1,0,0]=4 1016 B20R1.288 CCCCCCCCCCCNC(=O)c1ccccc1 1626a_200011215754_100000185807 [2,0,1,0,0,0|1,0,0]=4 1017 B20R1.288 CCCCCCCCCCCNC(=O)c1ccccc1 240690a_200011215754_100000185807 [2,0,1,0,0,0|1,0,0]=4 1018 B20R1.288 CCCCCCCCCCCNC(=O)c1ccccc1 527a_200011215754_100000185807 [2,0,1,0,0,0|1,0,0]=4 1019 B20R1.3356 CCCCCCCCCCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210319 [2,0,1,0,0,0|1,0,0]=4 1020 B20R1.4532 C=Cc1ccccc1NCCCCCCCCCCO 34a_100012022501_100009813290 [2,0,1,0,0,0|1,0,0]=4 1021 B20R1.4532 CCCCCCCCCCCCc1ccccc1C=O 271570a_100011290949_100000211189 [2,0,1,0,0,0|0,0,1]=4 1022 B20R1.58003 CCCCCCCCCCNc1ccccc1C(=O)N 34a_100000185089_100000210320 [2,0,1,0,0,0|1,0,0]=4 1023 B20R1.3361 CCCCCCCCCCCC(=O)Cc1ccccc1 1458a_100000210736_100015291786 [2,0,1,0,0,0|1,0,0]=4 1024 B20R1.3361 CCCCCCCCCCCC(=O)Nc1ccccc1 11a_100000106764_100000210736 [2,0,1,0,0,0|0,0,0]=3 1025 B20R1.3361 CCCCCCCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100000210736 [2,0,1,0,0,0|0,0,0]=3 1026 B20R1.3361 CCCCCCCCCCCC(=O)Nc1ccccc1 22a_100000106764_100000210736 [2,0,1,0,0,0|0,0,0]=3 1027 B20R1.3361 CCCCCCCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000684558 [2,0,1,0,0,0|1,0,0]=4 1028 B20R1.3361 CCCCCCCCCNCC(=O)Nc1ccccc1 2230a_100000212291_100000182850 [2,0,1,0,0,0|1,0,0]=4 1029 B20R1.3361 CCCCCCCCCNCC(=O)Nc1ccccc1 34a_100000212291_100000182850 [2,0,1,0,0,0|1,0,0]=4 1030 B20R1.3361 CCCCCCCCCOCC(=O)Nc1ccccc1 34a_100000210712_100000182850 [2,0,1,0,0,0|1,0,0]=4 1031 B20R1.3361 CCCCCCCCCOCC(=O)Nc1ccccc1 34a_100000246334_100011214924 [2,0,1,0,0,0|1,0,0]=4 1032 B20R1.3361 CCCCCCCCCOCC(=O)Nc1ccccc1 7a_100000210712_100000182850 [2,0,1,0,0,0|1,0,0]=4 1033 B20R1.3361 CCCCCCCCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210670 [2,0,1,0,0,0|1,0,0]=4 1034 B20R1.3361 CCCCCCCCNCCC(=O)Nc1ccccc1 2230a_100000229939_100000242058 [2,0,1,0,0,0|1,0,0]=4 1035 B20R1.3361 CCCCCCCCNCCC(=O)Nc1ccccc1 34a_100000229939_100000242058 [2,0,1,0,0,0|1,0,0]=4 1036 B20R1.3361 CCCCCCCCOCCC(=O)Nc1ccccc1 34a_100000210232_100000242058 [2,0,1,0,0,0|1,0,0]=4 1037 B20R1.3361 CCCCCCCCOCCC(=O)Nc1ccccc1 7a_100000210232_100000242058 [2,0,1,0,0,0|1,0,0]=4 1038 B20R1.3361 CCCCCCCCSCCC(=O)Nc1ccccc1 62a_100000210759_100000242058 [2,0,1,0,0,0|1,0,0]=4 1039 B20R1.3361 CCCCCCCNCCCC(=O)Nc1ccccc1 2230a_100000229938_100011194425 [2,0,1,0,0,0|1,0,0]=4 1040 B20R1.3361 CCCCCCCNCCCC(=O)Nc1ccccc1 34a_100000750157_100000210614 [2,0,1,0,0,0|1,0,0]=4 1041 B20R1.3361 CCCCCCCOCCCC(=O)Nc1ccccc1 34a_100000210272_100011194425 [2,0,1,0,0,0|1,0,0]=4 1042 B20R1.3361 CCCCCCCOCCCC(=O)Nc1ccccc1 7a_100000210272_100011194425 [2,0,1,0,0,0|1,0,0]=4 1043 B20R1.3361 CCCCCCCSCCCC(=O)Nc1ccccc1 62a_100000210614_100011194425 [2,0,1,0,0,0|1,0,0]=4 1044 B20R1.3361 O=C(CCCCCCCCCCO)Nc1ccccc1 22a_100000106764_200000016029 [2,0,1,0,0,0|1,0,0]=4 1045 B20R1.68691 CCCCCCCCCCCC(=O)c1ccccc1F 1458a_100000188656_100011215454 [2,0,1,0,0,0|1,0,0]=4 1046 B20R1.68691 CCCCCCCCCCCC(=O)c1ccccc1O 1458a_100015234032_100011215454 [2,0,1,0,0,0|1,0,0]=4 1047 B20R1.68691 CCCCCCCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215454 [2,0,1,0,0,0|1,0,0]=4 1048 B20R2.313314 CCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210614_100000090176 [3,0,0,0,0,0|1,0,0]=4 1049 B22R1.5574 CCCCCCCCCCCC=NNC(=O)c1ccccc1 4a_100000184135_100011218549 [1,1,1,0,0,0|1,0,0]=4 1050 B22R1.3300 CCCCCCCCCCCNC(=O)C=Cc1ccccc1 11a_200011215754_100000210462 [1,1,1,0,0,0|1,0,0]=4 1051 B22R1.3300 CCCCCCCCCCCNC(=O)C=Cc1ccccc1 1626a_200011215754_100000210462 [1,1,1,0,0,0|1,0,0]=4 1052 B22R1.3300 O=C(C=Cc1ccccc1)CCCCCCCCCCCO 1458a_100000210462_100009812471 [1,1,1,0,0,0|1,0,0]=4 1053 B22R1.82824 CCCCCCCCCCCC(=O)C=Cc1ccccc1O 1458a_100016263591_100011215454 [1,1,1,0,0,0|1,0,0]=4 1054 B22R1.69676 C=Cc1ccccc1NCCCCCCCCCCCCO 34a_100012022501_100009813331 [1,1,1,0,0,0|0,0,1]=4 1055 B22R1.69676 CCCCCCCCCCCCNCc1ccccc1C=O 2230a_100000210451_200009853537 [1,1,1,0,0,0|0,0,1]=4 1056 B22R1.69676 CCCCCCCCCCCCNCc1ccccc1C=O 34a_100000210451_200009853537 [1,1,1,0,0,0|0,0,1]=4 1057 B22R1.20653 CCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100000210375 [1,1,1,0,0,0|1,0,0]=4 1058 B22R1.20653 CCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100000210375 [1,1,1,0,0,0|1,0,0]=4 1059 B22R1.20653 CCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100000210375 [1,1,1,0,0,0|1,0,0]=4 1060 B22R1.39627 CCCCCCCCCCCNc1ccc(cc1C(=O)N)Br 27a_200011215754_200000162314 [1,1,1,0,0,0|1,0,0]=4 1061 B22R1.39627 CCCCCCCCCCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100011215454 [1,1,1,0,0,0|1,0,0]=4 1062 B22R1.39627 CCCCCCCCCCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100011215454 [1,1,1,0,0,0|1,0,0]=4 1063 B22R1.39627 CCCCCCCCCCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100011215454 [1,1,1,0,0,0|1,0,0]=4 1064 B22R1.39627 CCCCCCCCCCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100011215454 [1,1,1,0,0,0|1,0,0]=4 1065 B22R1.39627 CCCCCCCCCCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100011215454 [1,1,1,0,0,0|1,0,0]=4 1066 B22R1.39627 CCCCCCCCCCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100011215454 [1,1,1,0,0,0|1,0,0]=4 1067 B22R1.39627 CCCCCCCCCCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100011215454 [1,1,1,0,0,0|1,0,0]=4 1068 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)C)F 27a_200011215754_100000686192 [1,1,1,0,0,0|0,0,1]=4 1069 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)N)Br 27a_200011215754_100009815748 [1,1,1,0,0,0|1,0,0]=4 1070 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100011215454 [1,1,1,0,0,0|1,0,0]=4 1071 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100011215454 [1,1,1,0,0,0|1,0,0]=4 1072 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100011215454 [1,1,1,0,0,0|1,0,0]=4 1073 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100011215454 [1,1,1,0,0,0|1,0,0]=4 1074 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100011215454 [1,1,1,0,0,0|1,0,0]=4 1075 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)N)F 27a_200011215754_100000206404 [1,1,1,0,0,0|1,0,0]=4 1076 B22R1.78925 CCCCCCCCCCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100011215454 [1,1,1,0,0,0|1,0,0]=4 1077 B22R1.78957 CCCCCCCCCCCNc1ccccc1C(=O)NC 27a_200011215754_100000155073 [1,1,1,0,0,0|0,0,1]=4 1078 B22R1.78957 CCCCCCCCCCCNc1ccccc1C(=O)NC 34a_100000185696_100011215454 [1,1,1,0,0,0|0,0,1]=4 1079 B22R1.82856 CCCCCCCCCCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100011215454 [1,1,1,0,0,0|1,0,0]=4 1080 B22R1.182558 CCCCCCCCCCCNc1c(cccc1C(=O)N)C 34a_100000223273_100011215454 [1,1,1,0,0,0|1,0,0]=4 1081 B22R1.182558 CCCCCCCCCCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100011215454 [1,1,1,0,0,0|1,0,0]=4 1082 B22R1.182558 CCCCCCCCCCCNc1c(cccc1C(=O)N)F 34a_100011722151_100011215454 [1,1,1,0,0,0|1,0,0]=4 1083 B22R1.183174 CCCCCCCCCCCNc1cccc(c1C(=O)N)C 34a_100102558177_100011215454 [1,1,1,0,0,0|1,0,0]=4 1084 B22R1.183174 CCCCCCCCCCCNc1cccc(c1C(=O)N)C 7a_100102558177_100011215454 [1,1,1,0,0,0|1,0,0]=4 1085 B22R1.183174 CCCCCCCCCCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100011215454 [1,1,1,0,0,0|1,0,0]=4 1086 B22R1.183174 CCCCCCCCCCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100011215454 [1,1,1,0,0,0|1,0,0]=4 1087 B22R1.183174 CCCCCCCCCCCNc1cccc(c1C(=O)N)F 27a_200011215754_100011219063 [1,1,1,0,0,0|1,0,0]=4 1088 B22R1.183174 CCCCCCCCCCCNc1cccc(c1C(=O)N)F 34a_100000036109_100011215454 [1,1,1,0,0,0|1,0,0]=4 1089 B22R1.183174 CCCCCCCCCCCNc1cccc(c1C(=O)N)F 7a_100000036109_100011215454 [1,1,1,0,0,0|1,0,0]=4 1090 B22R2.365450 CCCCCCCCCCc1ccc2ccc(cc2n1)O 271570a_100000061613_100000079174 [2,1,0,0,0,0|0,0,1]=4 1091 B22R2.365458 CCCCCCCCCCc1ccc2cccc(c2n1)O 271570a_100000061613_100010153751 [2,1,0,0,0,0|0,0,1]=4 1092 B22R2.679784 CCCCCCCCCCc1nc2ccccc2cc1O 271570a_100000061613_200000100762 [2,1,0,0,0,0|0,0,1]=4 1093 B22R2.1808735 CCCCCCCCCCc1ccc2cc(ccc2n1)O 271570a_100000061613_100009849208 [2,1,0,0,0,0|0,0,1]=4 1094 B22R2.6828878 CCCCCCCC(C)Sc1cc(=O)c2ccccc2[nH]1 62a_200011218727_100000090176 [2,1,0,0,0,0|1,0,0]=4 1095 B22R2.227 CCCCCCCCCCNCc1coc2c1cccc2 207a_100000684558_100000688544 [1,1,0,0,1,0|1,0,0]=4 1096 B22R2.227 CCCCCCCCCCNCc1coc2c1cccc2 270004a_100000684558_100000688544 [1,1,0,0,1,0|1,0,0]=4 1097 B22R2.227 CCCCCCCCCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011214924 [1,1,0,0,1,0|1,0,0]=4 1098 B22R2.227 CCCCCCCCCNCCc1c[nH]c2c1cccc2 2230a_100000212291_100011218569 [1,1,0,0,1,0|1,0,0]=4 1099 B22R2.227 CCCCCCCCCNCCc1c[nH]c2c1cccc2 34a_100000212291_100011218569 [1,1,0,0,1,0|1,0,0]=4 1100 B22R2.227 CCCCCCCCCNCCc1coc2c1cccc2 2230a_100011934666_100011214924 [1,1,0,0,1,0|1,0,0]=4 1101 B22R2.227 CCCCCCCCCNCCc1coc2c1cccc2 34a_100011934666_100011214924 [1,1,0,0,1,0|1,0,0]=4 1102 B22R2.227 CCCCCCCCCOCCc1c[nH]c2c1cccc2 34a_100000210712_100011218569 [1,1,0,0,1,0|1,0,0]=4 1103 B22R2.227 CCCCCCCCCOCCc1c[nH]c2c1cccc2 34a_100000752351_100011214924 [1,1,0,0,1,0|1,0,0]=4 1104 B22R2.227 CCCCCCCCCOCCc1c[nH]c2c1cccc2 7a_100000210712_100011218569 [1,1,0,0,1,0|1,0,0]=4 1105 B22R2.227 CCCCCCCCCOCCn1ccc2c1cccc2 34a_100011926976_100011214924 [1,1,0,0,1,0|1,0,0]=4 1106 B22R2.227 CCCCCCCCNCCCn1ccc2c1cccc2 34a_100000185030_100000210759 [1,1,0,0,1,0|1,0,0]=4 1107 B22R2.227 CCCCCCCCOCCCc1c[nH]c2c1cccc2 34a_100102524900_100000210759 [1,1,0,0,1,0|1,0,0]=4 1108 B22R2.36509 CCCCCCCCCCCNc1nc2ccccc2[nH]1 27a_200011215754_100009814255 [1,1,0,0,1,0|1,0,0]=4 1109 B22R2.36509 CCCCCCCCCCNCc1cc2ccccc2[nH]1 270004a_100000684558_100000051030 [1,1,0,0,1,0|0,0,0]=3 1110 B22R2.36509 CCCCCCCCCCNCc1cc2ccccc2o1 207a_100000684558_100000229944 [1,1,0,0,1,0|1,0,0]=4 1111 B22R2.36509 CCCCCCCCCCNCc1cc2ccccc2o1 270004a_100000684558_100000229944 [1,1,0,0,1,0|1,0,0]=4 1112 B22R2.36509 CCCCCCCCCCNCc1cc2cccnc2[nH]1 207a_100000684558_100000088027 [1,1,0,0,1,0|1,0,0]=4 1113 B22R2.36509 CCCCCCCCCCNCc1cc2cccnc2[nH]1 270004a_100000684558_100000088027 [1,1,0,0,1,0|1,0,0]=4 1114 B22R2.36509 CCCCCCCCCCNCc1cc2ccncc2[nH]1 270004a_100000684558_200000084276 [1,1,0,0,1,0|1,0,0]=4 1115 B22R2.36509 CCCCCCCCCCNCc1nc2ccccc2[nH]1 207a_100000684558_100000185668 [1,1,0,0,1,0|1,0,0]=4 1116 B22R2.36509 CCCCCCCCCCNCc1nc2ccccc2[nH]1 2230a_100000684558_100000737899 [1,1,0,0,1,0|1,0,0]=4 1117 B22R2.36509 CCCCCCCCCCNCc1nc2ccccc2[nH]1 270004a_100000684558_100000185668 [1,1,0,0,1,0|1,0,0]=4 1118 B22R2.36509 CCCCCCCCCCOCc1nc2ccccc2[nH]1 7a_100000210711_100000737899 [1,1,0,0,1,0|1,0,0]=4 1119 B22R2.36509 CCCCCCCCCOCCc1cc2ccccc2o1 34a_100011996023_100011214924 [1,1,0,0,1,0|1,0,0]=4 1120 B22R2.36509 CCCCCCCCCOCCc1cc2ccccc2o1 7a_100011996023_100000210328 [1,1,0,0,1,0|1,0,0]=4 1121 B22R2.36509 CCCCCCCCCOCCc1nc2ccccc2[nH]1 7a_100000210712_100015206048 [1,1,0,0,1,0|1,0,0]=4 1122 B22R2.36509 OCCCCCCCCCCSc1cc2ccccc2[nH]1 62a_100009813290_100010232065 [1,1,0,0,1,0|1,0,0]=4 1123 B22R2.36509 OCCCCCCCCCNCc1cc2ccccc2[nH]1 270004a_100000078944_100000051030 [1,1,0,0,1,0|1,0,0]=4 1124 B22R2.123359 CCCCCCCCCNCc1cc2cc(ccc2[nH]1)Br 207a_100000212291_100009820874 [1,1,0,0,1,0|1,0,0]=4 1125 B22R2.123359 CCCCCCCCCNCc1cc2cc(ccc2[nH]1)Br 270004a_100000212291_100009820874 [1,1,0,0,1,0|1,0,0]=4 1126 B22R2.123359 CCCCCCCCCNCc1cc2cc(ccc2[nH]1)C 207a_100000212291_100000084633 [1,1,0,0,1,0|1,0,0]=4 1127 B22R2.123359 CCCCCCCCCNCc1cc2cc(ccc2[nH]1)C 270004a_100000212291_100000084633 [1,1,0,0,1,0|1,0,0]=4 1128 B22R2.123359 CCCCCCCCCNCc1cc2cc(ccc2[nH]1)Cl 207a_100000212291_100000084621 [1,1,0,0,1,0|1,0,0]=4 1129 B22R2.123359 CCCCCCCCCNCc1cc2cc(ccc2[nH]1)Cl 270004a_100000212291_100000084621 [1,1,0,0,1,0|1,0,0]=4 1130 B22R2.123359 CCCCCCCCCNCc1cc2cc(ccc2[nH]1)F 207a_100000212291_100000050952 [1,1,0,0,1,0|1,0,0]=4 1131 B22R2.123359 CCCCCCCCCNCc1cc2cc(ccc2[nH]1)F 270004a_100000212291_100000050952 [1,1,0,0,1,0|1,0,0]=4 1132 B22R2.123359 CCCCCCCCCNCc1cc2ccc(cc2[nH]1)Br 207a_100000212291_100000736022 [1,1,0,0,1,0|1,0,0]=4 1133 B22R2.123359 CCCCCCCCCNCc1cc2ccc(cc2[nH]1)Br 270004a_100000212291_100000736022 [1,1,0,0,1,0|1,0,0]=4 1134 B22R2.123359 CCCCCCCCCNCc1cc2ccc(cc2[nH]1)Cl 270004a_100000212291_100000100868 [1,1,0,0,1,0|1,0,0]=4 1135 B22R2.123364 CCCCCCCCCNCc1cc2c(cccc2[nH]1)Br 270004a_100000212291_200010333833 [1,1,0,0,1,0|1,0,0]=4 1136 B22R2.398436 CCCCCCCCCN(C)Cc1cc2ccccc2[nH]1 2230a_100000685833_100011214924 [1,1,0,0,1,0|1,0,0]=4 1137 B22R2.398436 CCCCCCCCCN(C)Cc1cc2ccccc2[nH]1 269982a_100000685833_100000210670 [1,1,0,0,1,0|1,0,0]=4 1138 B22R2.398436 CCCCCCCCCN(C)Cc1cc2ccccc2[nH]1 270004a_100000232482_100000051030 [1,1,0,0,1,0|1,0,0]=4 1139 B22R2.574685 CCCCCCCCC(C)NCc1cc2ccccc2[nH]1 270004a_100015204011_100011216694 [1,1,0,0,1,0|1,0,0]=4 1140 B22R2.582038 CCCCCCCCCNC(C)c1cc2ccccc2[nH]1 269862a_100000212291_100000696822 [1,1,0,0,1,0|1,0,0]=4 1141 B24R1.2793920 CCCCCCCCCCCC(=O)Nc1ccccc1NC(=O)C 11a_100011193560_100000210736 [0,1,1,0,0,1|0,0,1]=4 1142 B24R1.2793920 CCCCCCCCCCCC(=O)Nc1ccccc1NC(=O)C 1626a_100011193560_100000210736 [0,1,1,0,0,1|0,0,1]=4 1143 B24R1.2793920 CCCCCCCCCCCC(=O)Nc1ccccc1NC(=O)C 22a_100011193560_100000210736 [0,1,1,0,0,1|0,0,1]=4 1144 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)Br 1626a_100012349972_100000210736 [0,2,1,0,0,0|1,0,0]=4 1145 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)C 11a_100011219537_100000210736 [0,2,1,0,0,0|1,0,0]=4 1146 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)C 1626a_100011219537_100000210736 [0,2,1,0,0,0|1,0,0]=4 1147 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)C 22a_100011219537_100000210736 [0,2,1,0,0,0|1,0,0]=4 1148 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)Cl 11a_100000738103_100000210736 [0,2,1,0,0,0|1,0,0]=4 1149 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)Cl 1626a_100000738103_100000210736 [0,2,1,0,0,0|1,0,0]=4 1150 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)F 11a_100011298637_100000210736 [0,2,1,0,0,0|1,0,0]=4 1151 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)F 1626a_100011298637_100000210736 [0,2,1,0,0,0|1,0,0]=4 1152 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)F 22a_100011298637_100000210736 [0,2,1,0,0,0|1,0,0]=4 1153 B24R1.2793889 CCCCCCCCCCCC(=O)Nc1cc(ccc1C(=O)N)O 22a_100012186684_100000210736 [0,2,1,0,0,0|1,0,0]=4 1154 B24R1.2793923 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC 11a_100000185696_100000210736 [0,2,1,0,0,0|0,0,1]=4 1155 B24R1.2793923 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC 1626a_100000185696_100000210736 [0,2,1,0,0,0|0,0,1]=4 1156 B24R1.2793923 CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NC 22a_100000185696_100000210736 [0,2,1,0,0,0|0,0,1]=4 1157 B24R1.3067789 CCCCCCCCCCCC(=O)N(C)c1ccccc1C(=O)N 11a_100000184419_100000210736 [0,2,1,0,0,0|1,0,0]=4 1158 B24R1.3067789 CCCCCCCCCCCC(=O)N(C)c1ccccc1C(=O)N 1626a_100000184419_100000210736 [0,2,1,0,0,0|1,0,0]=4 1159 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Br 11a_100000740421_100000210736 [0,2,1,0,0,0|1,0,0]=4 1160 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Br 1626a_100000740421_100000210736 [0,2,1,0,0,0|1,0,0]=4 1161 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Br 22a_100000740421_100000210736 [0,2,1,0,0,0|1,0,0]=4 1162 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)C 11a_100011692829_100000210736 [0,2,1,0,0,0|1,0,0]=4 1163 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)C 1626a_100011692829_100000210736 [0,2,1,0,0,0|1,0,0]=4 1164 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)C 22a_100011692829_100000210736 [0,2,1,0,0,0|1,0,0]=4 1165 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Cl 11a_100000743835_100000210736 [0,2,1,0,0,0|1,0,0]=4 1166 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Cl 1626a_100000743835_100000210736 [0,2,1,0,0,0|1,0,0]=4 1167 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)Cl 22a_100000743835_100000210736 [0,2,1,0,0,0|1,0,0]=4 1168 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)F 11a_100000741173_100000210736 [0,2,1,0,0,0|1,0,0]=4 1169 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)F 1626a_100000741173_100000210736 [0,2,1,0,0,0|1,0,0]=4 1170 B24R1.3464153 CCCCCCCCCCCC(=O)Nc1ccc(cc1C(=O)N)F 22a_100000741173_100000210736 [0,2,1,0,0,0|1,0,0]=4 1171 B24R1.3067296 C=C(C)c1ccccc1NC(=O)CCCCCCCCCCCO 22a_100000037685_100000037981 [0,2,1,0,0,0|1,0,0]=4 1172 B24R1.3067296 CCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 11a_100000185089_100011215791 [0,2,1,0,0,0|1,0,0]=4 1173 B24R1.3067296 CCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_100011215791 [0,2,1,0,0,0|1,0,0]=4 1174 B24R1.3067296 CCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)N 22a_100000185089_100011215791 [0,2,1,0,0,0|1,0,0]=4 1175 B24R1.3067296 CCCCCCCCCCNCC(=O)Nc1ccccc1C(=O)C 2230a_100000684558_100000183221 [0,2,1,0,0,0|0,0,1]=4 1176 B24R1.3067296 CCCCCCCCCCNCC(=O)Nc1ccccc1C(=O)N 2230a_100000684558_100000182880 [0,2,1,0,0,0|1,0,0]=4 1177 B24R1.3067296 CCCCCCCCCCOCC(=O)Nc1ccccc1C(=O)C 7a_100000210711_100000183221 [0,2,1,0,0,0|0,0,1]=4 1178 B24R1.3067296 CCCCCCCCCCOCC(=O)Nc1ccccc1C(=O)N 7a_100000210711_100000182880 [0,2,1,0,0,0|1,0,0]=4 1179 B24R1.3067296 CCCCCCCCCCSCC(=O)Nc1ccccc1C(=O)N 62a_100000182880_100000210320 [0,2,1,0,0,0|1,0,0]=4 1180 B24R1.3067296 CCCCCCCCCNCCC(=O)Nc1ccccc1C(=O)N 2230a_100000212291_100000738100 [0,2,1,0,0,0|1,0,0]=4 1181 B24R1.3067296 CCCCCCCCCOCCC(=O)Nc1ccccc1C(=O)N 7a_100000210712_100000738100 [0,2,1,0,0,0|1,0,0]=4 1182 B24R1.3067296 CCCCCCCCNCCCC(=O)Nc1ccccc1C(=O)C 2230a_100000229939_100000018832 [0,2,1,0,0,0|0,0,1]=4 1183 B24R1.3067296 CCCCCCCCOCCCC(=O)Nc1ccccc1C(=O)C 7a_100000210232_100000018832 [0,2,1,0,0,0|0,0,1]=4 1184 B24R1.3067296 NC(=O)c1ccccc1NC(=O)CCCCCCCCCCCO 22a_100000185089_100000037981 [0,2,1,0,0,0|1,0,0]=4 1185 B24R1.657186 C=C(C)c1ccccc1NC(=O)CC(O)CCCCCCCCC 1626a_100000037685_200012339438 [0,2,1,0,0,0|1,0,0]=4 1186 B24R1.657186 C=C(C)c1ccccc1NC(=O)CC(O)CCCCCCCCC 22a_100000037685_200012339438 [0,2,1,0,0,0|1,0,0]=4 1187 B24R1.657186 CCCCCCCCCC(O)CC(=O)Nc1ccccc1C(=O)N 1626a_100000185089_200012339438 [0,2,1,0,0,0|1,0,0]=4 1188 B24R1.657186 CCCCCCCCCC(O)CC(=O)Nc1ccccc1C(=O)N 22a_100000185089_200012339438 [0,2,1,0,0,0|1,0,0]=4 1189 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)C 11a_100102558177_100000210736 [0,2,1,0,0,0|1,0,0]=4 1190 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)C 1626a_100102558177_100000210736 [0,2,1,0,0,0|1,0,0]=4 1191 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)C 22a_100102558177_100000210736 [0,2,1,0,0,0|1,0,0]=4 1192 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)Cl 11a_100000764435_100000210736 [0,2,1,0,0,0|1,0,0]=4 1193 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)Cl 1626a_100000764435_100000210736 [0,2,1,0,0,0|1,0,0]=4 1194 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)F 11a_100000036109_100000210736 [0,2,1,0,0,0|1,0,0]=4 1195 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)F 1626a_100000036109_100000210736 [0,2,1,0,0,0|1,0,0]=4 1196 B24R1.13488010 CCCCCCCCCCCC(=O)Nc1cccc(c1C(=O)N)F 22a_100000036109_100000210736 [0,2,1,0,0,0|1,0,0]=4 1197 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)N)Br 1626a_100010144993_100000210736 [0,2,1,0,0,0|1,0,0]=4 1198 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)N)C 1626a_100000223273_100000210736 [0,2,1,0,0,0|1,0,0]=4 1199 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)N)Cl 1626a_200011997947_100000210736 [0,2,1,0,0,0|1,0,0]=4 1200 B24R1.33504443 CCCCCCCCCCCC(=O)Nc1c(cccc1C(=O)N)F 1626a_100011722151_100000210736 [0,2,1,0,0,0|1,0,0]=4 1201 B24R2.137228 CCCCCCCCC(C)NCCc1ccc2ccccc2n1 270004a_100011238595_100011216694 [1,2,0,0,0,0|0,0,1]=4 1202 B24R2.327342 CCCCCCCCCCC(=O)Cc1ccc2ccccc2n1 1458a_100000210375_100000737579 [1,2,0,0,0,0|0,0,1]=4 1203 B24R2.327342 CCCCCCCCCCN(C)Cc1ccc2ccccc2n1 2230a_100000207566_100000737579 [1,2,0,0,0,0|0,0,1]=4 1204 B24R2.327342 CCCCCCCCCCN(C)Cc1ccc2ccccc2n1 270004a_100000207566_100000759686 [1,2,0,0,0,0|0,0,1]=4 1205 B24R2.327342 CCCCCCCCCNC(C)Cc1ccc2ccccc2n1 270004a_100000212291_100011245913 [1,2,0,0,0,0|0,0,1]=4 1206 B24R2.618332 CCCCCCCCCCCNCc1ccc2ccccc2n1 207a_200011215754_100000759686 [1,2,0,0,0,0|0,0,1]=4 1207 B24R2.618332 CCCCCCCCCCCNCc1ccc2ccccc2n1 2230a_200011215754_100000737579 [1,2,0,0,0,0|0,0,1]=4 1208 B24R2.618332 CCCCCCCCCCCNCc1ccc2ccccc2n1 270004a_200011215754_100000759686 [1,2,0,0,0,0|0,0,1]=4 1209 B24R2.618332 CCCCCCCCCCCNCc1ccc2ccccc2n1 34a_200011215754_100000737579 [1,2,0,0,0,0|0,0,1]=4 1210 B24R2.618332 CCCCCCCCCCOCCc1ccc2ccccc2n1 34a_100011996444_100000210320 [1,2,0,0,0,0|0,0,1]=4 1211 B24R2.618332 CCCCCCCCCOCCOc1ccc2ccccc2c1 34a_200011219602_100011214924 [1,2,0,0,0,0|1,0,0]=4 1212 B24R2.618332 CCCCCCCCCOCCOc1ccc2ccccc2c1 7a_200011219602_100000210328 [1,2,0,0,0,0|1,0,0]=4 1213 B24R2.618332 CCCCCCCCNCCCOc1ccc2ccccc2c1 2230a_100000229939_100000750887 [1,2,0,0,0,0|1,0,0]=4 1214 B24R2.618332 CCCCCCCCNCCCOc1ccc2ccccc2c1 34a_100000229939_100000750887 [1,2,0,0,0,0|1,0,0]=4 1215 B24R2.618332 CCCCCCCCOCCCOc1ccc2ccccc2c1 34a_100000210232_100000750887 [1,2,0,0,0,0|1,0,0]=4 1216 B24R2.618332 CCCCCCCCOCCCOc1ccc2ccccc2c1 7a_100000210232_100000750887 [1,2,0,0,0,0|1,0,0]=4 1217 B24R2.618332 NCCCCCCCCCCOCc1ccc2ccccc2c1 34a_100000066964_100011216711 [1,2,0,0,0,0|1,0,0]=4 1218 B24R2.618332 NCCCCCCCCCCOCc1ccc2ccccc2n1 34a_100000066964_100000737579 [1,2,0,0,0,0|0,0,1]=4 1219 B24R2.618332 OCCCCCCCCCCCNc1ccc2ccccc2c1 34a_100000211940_100009812471 [1,2,0,0,0,0|1,0,0]=4 1220 B24R2.618332 OCCCCCCCCCCCNc1ccc2ccccc2c1 7a_100000211940_100009812471 [1,2,0,0,0,0|1,0,0]=4 1221 B24R2.618332 OCCCCCCCCCCCOc1ccc2ccccc2c1 34a_100000185828_100009812471 [1,2,0,0,0,0|1,0,0]=4 1222 B24R2.618332 OCCCCCCCCCCCOc1ccc2ccccc2c1 7a_100000185828_100009812471 [1,2,0,0,0,0|1,0,0]=4 1223 B24R2.618332 OCCCCCCCCCCCSc1ccc2ccccc2n1 62a_100009812471_100011291633 [1,2,0,0,0,0|0,0,1]=4 1224 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2c1 207a_100000066964_100000211584 [1,2,0,0,0,0|1,0,0]=4 1225 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2c1 2230a_100000066964_100011216711 [1,2,0,0,0,0|1,0,0]=4 1226 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100009813290 [1,2,0,0,0,0|1,0,0]=4 1227 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2c1 270004a_100000066964_100000211584 [1,2,0,0,0,0|1,0,0]=4 1228 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2c1 34a_100000066964_100011216711 [1,2,0,0,0,0|1,0,0]=4 1229 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2c1 34a_100000739491_100009813290 [1,2,0,0,0,0|1,0,0]=4 1230 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2n1 207a_100000066964_100000759686 [1,2,0,0,0,0|0,0,1]=4 1231 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2n1 2230a_100000066964_100000737579 [1,2,0,0,0,0|0,0,1]=4 1232 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2n1 270004a_100000066964_100000759686 [1,2,0,0,0,0|0,0,1]=4 1233 B24R2.618332 OCCCCCCCCCCNCc1ccc2ccccc2n1 34a_100000066964_100000737579 [1,2,0,0,0,0|0,0,1]=4 1234 B24R2.618332 OCCCCCCCCCCOCc1ccc2ccccc2c1 34a_100011215330_100009813290 [1,2,0,0,0,0|1,0,0]=4 1235 B24R2.618332 OCCCCCCCCCCOCc1ccc2ccccc2c1 7a_100011215330_100009813290 [1,2,0,0,0,0|1,0,0]=4 1236 B24R2.618332 OCCCCCCCCCCSCc1ccc2ccccc2n1 62a_100000737579_200000033068 [1,2,0,0,0,0|0,0,1]=4 1237 B24R2.618332 OCCCCCCCCCCSCc1ccc2ccccc2n1 62a_100009813290_100000737579 [1,2,0,0,0,0|0,0,1]=4 1238 B24R2.618332 OCCCCCCCCCNCCc1ccc2ccccc2c1 2230a_100000746582_100009813782 [1,2,0,0,0,0|1,0,0]=4 1239 B24R2.618332 OCCCCCCCCCNCCc1ccc2ccccc2c1 34a_100000746582_100009813782 [1,2,0,0,0,0|1,0,0]=4 1240 B24R2.618332 OCCCCCCCCCOCCc1ccc2ccccc2c1 34a_100000755654_100009813782 [1,2,0,0,0,0|1,0,0]=4 1241 B24R2.618332 OCCCCCCCCCOCCc1ccc2ccccc2c1 7a_100000755654_100009813782 [1,2,0,0,0,0|1,0,0]=4 1242 B24R2.618332 OCCCCCCCCCOCCc1ccc2ccccc2n1 34a_100011996444_100009813782 [1,2,0,0,0,0|0,0,1]=4 1243 B24R2.1207690 CCCCCCCCCCCNc1ccc2cccc(c2n1)O 27a_200011215754_100010153751 [1,2,0,0,0,0|0,0,1]=4 1244 B24R2.1207690 CCCCCCCCCCNCc1ccc2cccc(c2n1)F 207a_100000684558_100000068176 [1,2,0,0,0,0|0,0,1]=4 1245 B24R2.1207690 CCCCCCCCCCNCc1ccc2cccc(c2n1)F 270004a_100000684558_100000068176 [1,2,0,0,0,0|0,0,1]=4 1246 B24R2.1244722 CCCCCCCCCNCC(O)c1ccc2ccccc2c1 2230a_100000754022_100011214924 [1,2,0,0,0,0|1,0,0]=4 1247 B24R2.1244722 CCCCCCCCCNCC(O)c1ccc2ccccc2c1 34a_100000754022_100011214924 [1,2,0,0,0,0|1,0,0]=4 1248 B24R2.20804835 CCCCCCCCCCNCc1ccc2cc(ccc2c1)O 207a_100000684558_100000067190 [1,2,0,0,0,0|1,0,0]=4 1249 B24R2.20804835 CCCCCCCCCCNCc1ccc2cc(ccc2c1)O 270004a_100000684558_100000067190 [1,2,0,0,0,0|1,0,0]=4 1250 B24R2.20804835 CCCCCCCCCCNCc1ccc2cc(ccc2c1)O 34a_200000083168_100000210320 [1,2,0,0,0,0|1,0,0]=4 1251 B24R2.20804835 CCCCCCCCCCNCc1ccc2cc(ccc2n1)C 2230a_100000684558_100009884411 [1,2,0,0,0,0|0,0,1]=4 1252 B24R2.20804835 CCCCCCCCCCNCc1ccc2cc(ccc2n1)C 34a_100000684558_100009884411 [1,2,0,0,0,0|0,0,1]=4 1253 B24R2.20804835 CCCCCCCCCCNCc1ccc2cc(ccc2n1)F 207a_100000684558_100000068074 [1,2,0,0,0,0|0,0,1]=4 1254 B24R2.20804835 CCCCCCCCCCNCc1ccc2cc(ccc2n1)F 270004a_100000684558_100000068074 [1,2,0,0,0,0|0,0,1]=4 1255 B24R2.1216163 CCCCCCCCCCc1cc(c2ccccc2n1)C(=O)N 271570a_100000061613_200000188934 [1,2,0,0,0,0|0,0,1]=4 1256 B24R2.155941395 CCCCCCCCNCc1cc(=O)c2c(ccc(c2[nH]1)C)C 2230a_100000229939_100000123005 [1,2,0,0,0,0|1,0,0]=4 1257 B24R2.155941395 CCCCCCCCNCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_100000229939_100000123005 [1,2,0,0,0,0|1,0,0]=4 1258 B24R2.155941395 CCCCCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_100000210232_100000123005 [1,2,0,0,0,0|1,0,0]=4 1259 B24R2.155941395 CCCCCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 7a_100000210232_100000123005 [1,2,0,0,0,0|1,0,0]=4 1260 B24R2.155941395 CCCCCCCCSCc1cc(=O)c2c(ccc(c2[nH]1)C)C 62a_100000210759_100000123005 [1,2,0,0,0,0|1,0,0]=4 1261 B24R2.3928821 CCCCCCCCCCCCc1c[nH]c(=O)c2c1ccnc2 271570a_100011290949_100010090797 [0,1,0,0,1,1|1,0,0]=4 1262 B24R2.3928821 CCCCCCCCCCCCc1n[nH]c(=O)c2c1cccc2 271570a_100011290949_100010235092 [0,1,0,0,1,1|1,0,0]=4 1263 B24R2.3928821 CCCCCCCCCCNCc1c[nH]c(=O)c2c1cccc2 270004a_100000684558_100009868339 [0,1,0,0,1,1|0,0,0]=3 1264 B24R2.3928821 O=c1[nH]cc(c2c1cccc2)CNCCCCCCCCCO 270004a_100000078944_100009868339 [0,1,0,0,1,1|1,0,0]=4 1265 B24R2.21076837 CCCCCCCCCN(C)Cc1c[nH]c(=O)c2c1cccc2 270004a_100000232482_100009868339 [0,1,0,0,1,1|1,0,0]=4 1266 B24R2.46052883 CCCCCCCCCCSc1cn(c(=O)c2c1cccc2)C 62a_100000239302_100000210320 [0,1,0,0,1,1|1,0,0]=4 1267 B24R2.172003 Cc1c([nH]c2c1cccc2)CNCCCCCCCCCCO 270004a_100000066964_100000066550 [0,2,0,0,1,0|1,0,0]=4 1268 B24R2.172003 OCCCCCCCCCCNCc1[nH]c2ccccc2c1Cl 270004a_100000066964_100000050720 [0,2,0,0,1,0|1,0,0]=4 1269 B26R2.4228239 CCCCCCCCCCCCc1cc(c2ccccc2n1)C(=O)N 271570a_100011290949_200000188934 [0,3,0,0,0,0|0,0,1]=4 1270 B26R2.4228239 CCCCCCCCCCCNc1cc(c2ccccc2n1)C(=O)N 27a_200011215754_200000188934 [0,3,0,0,0,0|0,0,1]=4 1271 B26R2.4228239 CCCCCCCCCCCSc1cc(c2ccccc2n1)C(=O)N 62a_200000188934_100011215454 [0,3,0,0,0,0|0,0,1]=4 1272 B26R2.17814270 NC(=O)CCCCCCCCCCSc1cc(=O)c2ccccc2[nH]1 62a_200010167045_100000090176 [0,3,0,0,0,0|0,0,1]=4 1273 B26R2.31881599 O=c1cc([nH]c2c1cccc2)SCCCCCCCCCCCCO 62a_100009813331_100000090176 [0,3,0,0,0,0|0,0,0]=3 1274 B26R2.31881599 O=c1cc([nH]c2c1cccc2)SCCCCCCOCCCCCO 62a_200132310570_100000090176 [0,3,0,0,0,0|0,0,0]=3 1275 B26R2.423752809 CCCCCCCCCCNCc1cc(=O)c2c(ccc(c2[nH]1)C)C 2230a_100000684558_100000123005 [0,3,0,0,0,0|0,0,0]=3 1276 B26R2.423752809 CCCCCCCCCCNCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_100000684558_100000123005 [0,3,0,0,0,0|0,0,0]=3 1277 B26R2.423752809 CCCCCCCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_100000210711_100000123005 [0,3,0,0,0,0|0,0,0]=3 1278 B26R2.423752809 CCCCCCCCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 7a_100000210711_100000123005 [0,3,0,0,0,0|0,0,0]=3 1279 B26R2.423752809 Cc1ccc(c2c1[nH]c(cc2=O)CNCCCCCCCCCO)C 2230a_100000078944_100000123005 [0,3,0,0,0,0|1,0,0]=4 1280 B26R2.423752809 Cc1ccc(c2c1[nH]c(cc2=O)CNCCCCCCCCCO)C 34a_100000078944_100000123005 [0,3,0,0,0,0|1,0,0]=4 1281 B26R2.423752809 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCCBr)C 34a_100009813782_100000123005 [0,3,0,0,0,0|1,0,0]=4 1282 B26R2.423752809 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCCBr)C 7a_100009813782_100000123005 [0,3,0,0,0,0|1,0,0]=4 1283 B26R2.423752809 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCCCl)C 34a_100009868337_100000123005 [0,3,0,0,0,0|1,0,0]=4 1284 B26R2.423752809 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCCCl)C 7a_100009868337_100000123005 [0,3,0,0,0,0|1,0,0]=4 1285 B26R2.423752809 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCCCN)C 34a_100000078944_100000123005 [0,3,0,0,0,0|1,0,0]=4 1286 B26R2.423752809 Cc1ccc(c2c1[nH]c(cc2=O)CSCCCCCCCCCO)C 62a_100009813782_100000123005 [0,3,0,0,0,0|1,0,0]=4 1287 B26R2.476237083 CCCCCCC(C)CCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_200011024964_100000123005 [0,3,0,0,0,0|1,0,0]=4 1288 B26R2.476237083 CCCCCCC(C)CCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 7a_200011024964_100000123005 [0,3,0,0,0,0|1,0,0]=4 1289 B26R2.494195411 CCCCCCCCC(C)OCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_100000210740_100000123005 [0,3,0,0,0,0|1,0,0]=4 1290 B26R2.494195411 CCCCCCCCC(C)OCc1cc(=O)c2c(ccc(c2[nH]1)C)C 7a_100000210740_100000123005 [0,3,0,0,0,0|1,0,0]=4 1291 B26R2.620044200 CCCCC(C)CCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 34a_200011021034_100000123005 [0,3,0,0,0,0|1,0,0]=4 1292 B26R2.620044200 CCCCC(C)CCCCOCc1cc(=O)c2c(ccc(c2[nH]1)C)C 7a_200011021034_100000123005 [0,3,0,0,0,0|1,0,0]=4 1293 B26R2.165697097 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCC(C)C)C 34a_200000210741_100000123005 [0,3,0,0,0,0|1,0,0]=4 1294 B26R2.165697097 Cc1ccc(c2c1[nH]c(cc2=O)COCCCCCCCC(C)C)C 7a_200000210741_100000123005 [0,3,0,0,0,0|1,0,0]=4 1295 B26R2.1296133903 CCCCCCCCCC(=O)Cc1cc(=O)c2c(ccc(c2[nH]1)C)C 1458a_100000210558_100000123005 [0,3,0,0,0,0|0,0,1]=4 1296 B26R2.1296133903 CCCCCCCCCN(C)Cc1cc(=O)c2c(ccc(c2[nH]1)C)C 2230a_100000232482_100000123005 [0,3,0,0,0,0|1,0,0]=4 1297 B26R2.1296133903 CCCCCCCCCN(C)Cc1cc(=O)c2c(ccc(c2[nH]1)C)C 269982a_100000232482_100000123005 [0,3,0,0,0,0|1,0,0]=4 1298 B22R2.15845 CCCCCCCCCCc1cc(n[nH]1)c2ccccc2 271570a_100000061613_114929179799 [1,0,1,1,0,0|1,0,0]=4 1299 B22R2.15851 CCCCCCCCCCc1ccnn1c2ccccc2 271570a_100000061613_100011001034 [1,0,1,1,0,0|1,0,0]=4 1300 B22R3.673125 O=c1cc([nH]c2c1cccc2)SCCC3CCCCC3 62a_100012355289_100000090176 [2,0,0,1,0,0|1,0,0]=4 1301 B22R3.673130 O=c1cc([nH]c2c1cccc2)SCCCC3CCCC3 62a_100011713738_100000090176 [2,0,0,1,0,0|1,0,0]=4 1302 B22R3.11188162 O=c1cc([nH]c2c1cccc2)SCC3CCCCCC3 62a_200000696569_100000090176 [2,0,0,1,0,0|1,0,0]=4 1303 B22R3.816194 CCCC1CCCCC1NCc2cc3ccccc3[nH]2 270004a_100015204011_100011218038 [1,0,0,1,1,0|1,0,0]=4 1304 B22R3.1088772 CCCCC1CCCC1NCc2cc3ccccc3[nH]2 270004a_100015204011_100000750825 [1,0,0,1,1,0|1,0,0]=4 1305 B22R3.3018238 c1ccc2[nH]c(cc2c1)CNCCCC3CCCCC3 270004a_100011211642_100000051030 [1,0,0,1,1,0|1,0,0]=4 1306 B22R3.5859499 c1ccc2[nH]c(cc2c1)CNC3CCCCCCCC3 270004a_100015204011_100000038600 [1,0,0,1,1,0|1,0,0]=4 1307 B22R3.128563702 c1ccc2[nH]c(cc2c1)CNCCC3CCCCCC3 270004a_100011532351_100000051030 [1,0,0,1,1,0|1,0,0]=4 1308 B24R2.31515 CCCCCCCCCCNCc1cccn1c2ccccc2 270004a_100000684558_100011302056 [0,1,1,1,0,0|1,0,0]=4 1309 B24R2.31515 CCCCCCCCCCNCc1ccnn1c2ccccc2 207a_100000684558_100000708484 [0,1,1,1,0,0|1,0,0]=4 1310 B24R2.31515 CCCCCCCCCCNCc1ccnn1c2ccccc2 270004a_100000684558_100000708484 [0,1,1,1,0,0|1,0,0]=4 1311 B24R2.31515 CCCCCCCCCCNCc1ccnn1c2ccccc2 34a_102515433097_100000210320 [0,1,1,1,0,0|1,0,0]=4 1312 B24R3.522643 CCCC1CCCCC1NCCc2ccc3ccccc3c2 269862a_100000746582_100011218038 [1,1,0,1,0,0|1,0,0]=4 1313 B24R3.522643 CCCC1CCCCC1NCCc2ccc3ccccc3c2 270004a_100000746582_100011218038 [1,1,0,1,0,0|1,0,0]=4 1314 B24R3.522643 CCCC1CCCCC1NCCc2ccc3ccccc3n2 269862a_100011238595_100011218038 [1,1,0,1,0,0|0,0,1]=4 1315 B24R3.522643 CCCC1CCCCC1NCCc2ccc3ccccc3n2 270004a_100011238595_100011218038 [1,1,0,1,0,0|0,0,1]=4 1316 B24R3.1224892 CCCCC1CCCC1NCCc2ccc3ccccc3c2 269862a_100000746582_100000750825 [1,1,0,1,0,0|1,0,0]=4 1317 B24R3.1224892 CCCCC1CCCC1NCCc2ccc3ccccc3c2 270004a_100000746582_100000750825 [1,1,0,1,0,0|1,0,0]=4 1318 B24R3.1224892 CCCCC1CCCC1NCCc2ccc3ccccc3n2 269862a_100011238595_100000750825 [1,1,0,1,0,0|0,0,1]=4 1319 B24R3.1224892 CCCCC1CCCC1NCCc2ccc3ccccc3n2 270004a_100011238595_100000750825 [1,1,0,1,0,0|0,0,1]=4 1320 B24R3.1821962 CCCCCC1CCCC1NCc2ccc3ccccc3c2 269862a_100000739491_200000198059 [1,1,0,1,0,0|1,0,0]=4 1321 B24R3.1821962 CCCCCC1CCCC1NCc2ccc3ccccc3c2 270004a_100000739491_200000198059 [1,1,0,1,0,0|1,0,0]=4 1322 B24R3.2018026 c1ccc2cc(ccc2c1)CCNCCCC3CCCCC3 2230a_100000746582_100011713725 [1,1,0,1,0,0|1,0,0]=4 1323 B24R3.2018026 c1ccc2cc(ccc2c1)CCNCCCC3CCCCC3 34a_100000746582_100011713725 [1,1,0,1,0,0|1,0,0]=4 1324 B24R3.2018026 c1ccc2cc(ccc2c1)CCOCCCC3CCCCC3 34a_100000755654_100011713725 [1,1,0,1,0,0|1,0,0]=4 1325 B24R3.2018026 c1ccc2cc(ccc2c1)CCOCCCC3CCCCC3 7a_100000755654_100011713725 [1,1,0,1,0,0|1,0,0]=4 1326 B24R3.2018026 c1ccc2nc(ccc2c1)CCOCCCC3CCCCC3 34a_100011996444_100011713725 [1,1,0,1,0,0|0,0,1]=4 1327 B24R3.2018026 c1ccc2nc(ccc2c1)COCCCCC3CCCCC3 34a_100011215267_100000737579 [1,1,0,1,0,0|0,0,1]=4 1328 B24R3.2018026 c1ccc2nc(ccc2c1)COCCCCC3CCCCC3 7a_100011215267_100000737579 [1,1,0,1,0,0|0,0,1]=4 1329 B24R3.3680452 c1ccc2cc(ccc2c1)CCNC3CCCCCCCC3 270004a_100000746582_100000038600 [1,1,0,1,0,0|1,0,0]=4 1330 B24R3.3680452 c1ccc2nc(ccc2c1)CCNC3CCCCCCCC3 270004a_100011238595_100000038600 [1,1,0,1,0,0|0,0,1]=4 1331 B24R3.3681784 c1ccc2cc(ccc2c1)CNCCC3CCCCCCC3 207a_100011532352_100000211584 [1,1,0,1,0,0|1,0,0]=4 1332 B24R3.3681784 c1ccc2cc(ccc2c1)CNCCC3CCCCCCC3 2230a_100011532352_100011216711 [1,1,0,1,0,0|1,0,0]=4 1333 B24R3.3681784 c1ccc2cc(ccc2c1)CNCCC3CCCCCCC3 270004a_100011532352_100000211584 [1,1,0,1,0,0|1,0,0]=4 1334 B24R3.3681784 c1ccc2cc(ccc2c1)CNCCC3CCCCCCC3 34a_100011532352_100011216711 [1,1,0,1,0,0|1,0,0]=4 1335 B24R3.3681784 c1ccc2nc(ccc2c1)CNCCC3CCCCCCC3 207a_100011532352_100000759686 [1,1,0,1,0,0|0,0,1]=4 1336 B24R3.3681784 c1ccc2nc(ccc2c1)CNCCC3CCCCCCC3 2230a_100011532352_100000737579 [1,1,0,1,0,0|0,0,1]=4 1337 B24R3.3681784 c1ccc2nc(ccc2c1)CNCCC3CCCCCCC3 270004a_100011532352_100000759686 [1,1,0,1,0,0|0,0,1]=4 1338 B24R3.3681784 c1ccc2nc(ccc2c1)CNCCC3CCCCCCC3 34a_100011532352_100000737579 [1,1,0,1,0,0|0,0,1]=4 1339 B24R3.29438207 CCCCCCCNC1CCCc2c1c3c(cc2)cccc3 269862a_100000229938_100000061332 [1,1,0,1,0,0|1,0,0]=4 1340 B24R3.157281 O=c1[nH]cc(c2c1cccc2)CNCCCC3CCCCC3 270004a_100011211642_100009868339 [0,0,0,1,1,1|1,0,0]=4 1341 B24R3.224927527 O=c1[nH]cc(c2c1cccc2)CNCCC3CCCCCC3 270004a_100011532351_100009868339 [0,0,0,1,1,1|1,0,0]=4 1342 B26R3.34643261 Cc1ccc(c2c1[nH]c(cc2=O)CNCCCC3CCCCC3)C 2230a_100011211642_100000123005 [0,2,0,1,0,0|1,0,0]=4 1343 B26R3.34643261 Cc1ccc(c2c1[nH]c(cc2=O)CNCCCC3CCCCC3)C 34a_100011211642_100000123005 [0,2,0,1,0,0|1,0,0]=4 1344 B26R3.34643261 Cc1ccc(c2c1[nH]c(cc2=O)COCCCC3CCCCC3)C 34a_100000198086_100000123005 [0,2,0,1,0,0|1,0,0]=4 1345 B26R3.34643261 Cc1ccc(c2c1[nH]c(cc2=O)COCCCC3CCCCC3)C 7a_100000198086_100000123005 [0,2,0,1,0,0|1,0,0]=4 1346 B26R3.34643261 Cc1ccc(c2c1[nH]c(cc2=O)CSCCCC3CCCCC3)C 62a_100011713725_100000123005 [0,2,0,1,0,0|1,0,0]=4 1347 B26R3.88155903 CCCC1CCCCC1OCc2cc(=O)c3c(ccc(c3[nH]2)C)C 34a_100011217265_100000123005 [0,2,0,1,0,0|1,0,0]=4 1348 B26R3.88155903 CCCC1CCCCC1OCc2cc(=O)c3c(ccc(c3[nH]2)C)C 7a_100011217265_100000123005 [0,2,0,1,0,0|1,0,0]=4 1349 B26R3.248932383 Cc1ccc(c2c1[nH]c(cc2=O)COCC3CCCCCCC3)C 34a_100011216312_100000123005 [0,2,0,1,0,0|1,0,0]=4 1350 B26R3.248932383 Cc1ccc(c2c1[nH]c(cc2=O)COCC3CCCCCCC3)C 7a_100011216312_100000123005 [0,2,0,1,0,0|1,0,0]=4 1351 B26R3.248933027 Cc1ccc(c2c1[nH]c(cc2=O)CNCCC3CCCCCC3)C 2230a_100011532351_100000123005 [0,2,0,1,0,0|1,0,0]=4 1352 B26R3.248933027 Cc1ccc(c2c1[nH]c(cc2=O)CNCCC3CCCCCC3)C 34a_100011532351_100000123005 [0,2,0,1,0,0|1,0,0]=4 1353 B20R2.19698 CCCCCCCCCCc1cc2ccccc2[nH]1 271570a_100000061613_100010232065 [2,0,0,0,1,0|0,0,0]=3 1354 B20R2.19698 CCCCCCCCCCc1cc2cccnc2[nH]1 271570a_100000061613_100010079843 [2,0,0,0,1,0|1,0,0]=4 1355 B20R2.19698 CCCCCCCCCCc1nc2ccccc2[nH]1 271570a_100000061613_100009814255 [2,0,0,0,1,0|1,0,0]=4 1356 B20R2.19698 CCCCCCCCNCc1cc2ccccc2[nH]1 270004a_100000229939_100000051030 [2,0,0,0,1,0|1,0,0]=4 1357 B24R1.66086 CCCCCCCCCCCC(=O)C=CC(=O)Nc1ccccc1 1458a_200016255450_100011215454 [0,0,1,0,0,2|1,0,0]=4