0 B11R1.28 CC#CCNc1ccccc1 CSC011641403 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.28 CCCCNc1ccccc1 CSC000211623 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 CCCCNc1ccccn1 CSC000156416 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.28 CCCCOc1ccccc1 CSC011212283 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.28 CCCCSc1ncccn1 CSC000002571 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.28 CCCNCc1ccccn1 CSC000201641 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.28 CCCNCc1cccnc1 CSC000180834 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.28 CCCNCc1ccncc1 CSC000180873 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.28 CCCSCc1ccccc1 CSC000006446 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.28 COCCOc1ccccc1 CSC000757042 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.28 COCCSc1ccccc1 CSC025761232 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.28 COCCSc1ccccn1 CSC000024487 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.28 CSCCCc1ccccc1 CSC000051364 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.28 CSCCOc1ccccc1 CSC000148400 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [0,0,0,0,0,0|1,0,2]=3 15 B11R1.28 OCCCOc1ccccc1 CSC011215863 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.28 OCCNCc1ccccc1 CSC000180844 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.28 OCCNCc1ccccn1 CSC000200435 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.28 OCCNCc1ccncc1 CSC000200482 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.28 OCCSCc1ccccc1 CSC011205989 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.17 COCSc1ccccc1 CSC000000817 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.17 CSCCc1ccncc1 CSC015420737 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.17 OCCSc1ccccn1 CSC000156319 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 OCCSc1ccncc1 CSC011297907 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [0,1,0,0,0,0|2,0,0]=3 34 B12R1.1 CCCCSc1ccc(cc1)C CSC000015701 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.1 CCCNCc1ccc(cc1)Br CSC000186942 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.1 CCCNCc1ccc(cc1)C CSC000186941 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.1 COCCSc1ccc(cc1)C CSC000022196 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.1 COCCSc1ccc(cc1)Cl CSC000022191 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.1 Cc1ccc(cc1)CSCCO CSC011212911 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.1 Cc1ccc(cc1)SCCCO CSC000213565 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.1 Clc1ccc(cc1)SCCC#N CSC000172061 [0,1,0,0,0,0|1,0,2]=4 43 B12R1.1 OCCCSc1ccc(cc1)Br CSC000213788 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.1 OCCCSc1ccc(cc1)Cl CSC000212878 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.1 OCCNCc1ccc(cc1)Cl CSC000180886 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.1 OCCNCc1ccc(cc1)F CSC000180845 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.1 OCCSCc1ccc(cc1)Br CSC011212529 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.1 OCCSCc1ccc(cc1)Cl CSC000186141 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.1 OCCSCc1ccc(cc1)F CSC011212906 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.1 OCCSCc1ccc(cc1)I CSC000238427 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.8 CCCCCSc1ccccc1 CSC000048317 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.8 CCCCNCc1ccccn1 CSC000200672 [0,1,0,0,0,0|2,0,0]=3 58 B12R1.8 CCCCNCc1cccnc1 CSC000200674 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.8 CCCCNCc1ccncc1 CSC000200698 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.8 CCOCCSc1ccccn1 CSC000006452 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.8 COCCNCc1ccncc1 CSC000200151 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.8 N#CCCCSc1ccccc1 CSC000172413 [0,1,0,0,0,0|0,0,2]=3 64 B12R1.8 N#CCCSCc1ccccc1 CSC000172150 [0,1,0,0,0,0|0,0,2]=3 65 B12R1.8 OCCCNCc1ccccn1 CSC000200612 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.27 CCC(N)CNc1ccccn1 CSC011915201 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.27 NNC(=O)COc1ccccc1 CSC000186219 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.27 NNC(=O)CSc1ccccc1 CSC000189974 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.28 CCCCNc1cccc(c1)C CSC000219676 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.28 CCCCOc1cccc(c1)Br CSC011212284 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.28 CCCNCc1cccc(c1)Br CSC000187640 [0,1,0,0,0,0|2,0,0]=3 83 B12R1.28 CCCNCc1cccc(c1)C CSC000196480 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.28 CCCNCc1cccc(c1)Cl CSC000196467 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.28 CCCNCc1cccc(c1)F CSC000196477 [0,1,0,0,0,0|2,0,0]=3 86 B12R1.28 COCCSc1cccc(c1)Br CSC009815756 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.28 COCCSc1cccc(c1)C CSC000055748 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.28 Cc1cccc(c1)CSCCO CSC011212950 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.28 Cc1cccc(c1)SCCCO CSC011432191 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.28 OCCCSc1cccc(c1)Br CSC011756144 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.28 OCCCSc1cccc(c1)Cl CSC011721771 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.28 OCCNCc1cccc(c1)Br CSC000187539 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.28 OCCSCc1cccc(c1)Cl CSC011212903 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.28 OCCSCc1cccc(c1)F CSC011212928 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,1,0,0,0,0|2,0,0]=3 103 B12R1.30 NCCNC(=O)c1ccccn1 CSC011198448 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.30 NCCNC(=O)c1ccncc1 CSC011198449 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.32 CN(CCN)Cc1ccccn1 CSC011293285 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.32 CN(CCN)Cc1cccnc1 CSC011293284 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.32 CN(CCN)Cc1cnccn1 CSC011729100 [0,1,0,0,0,0|3,0,0]=4 110 B12R1.32 CN(CCO)Cc1ccccn1 CSC011317074 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.32 CN(CCO)Cc1cccnc1 CSC011316762 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.32 CN(CCO)Cc1ccncc1 CSC000224485 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.32 NCCC(=O)Nc1ccccc1 CSC011195676 [0,1,0,0,0,0|1,0,1]=3 114 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [0,1,0,0,0,0|2,0,0]=3 120 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.252 CC(C)CNCc1cccnc1 CSC000180878 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.252 CC(C)CNCc1ccncc1 CSC000187584 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.252 CC(C)NCCc1ccccc1 CSC000200190 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.252 CC(O)CNCc1cccnc1 CSC000180864 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.252 CC(O)CNCc1ccncc1 CSC000186853 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,1,0,0,0,0|0,0,1]=2 127 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,1,0,0,0,0|1,0,1]=3 128 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,1,0,0,0,0|1,0,1]=3 129 B12R1.267 CCCCOc1ccccc1C CSC011212280 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.267 CCCNCc1ccccc1C CSC000196471 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.267 CCCNCc1ccccc1Cl CSC000196458 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.267 Cc1ccccc1CNCCO CSC000200476 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.267 Cc1ccccc1NCCC#N CSC000219713 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.267 Cc1ccccc1SCCCO CSC011363065 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.267 OCCCSc1ccccc1Br CSC000230866 [0,1,0,0,0,0|2,0,0]=3 136 B12R1.267 OCCCSc1ccccc1Cl CSC000213372 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.267 OCCNCc1ccccc1Cl CSC000200449 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.267 OCCNCc1ccccc1F CSC000200485 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.267 OCCSCc1ccccc1Cl CSC011212904 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.267 OCCSCc1ccccc1F CSC000238361 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.2057 C(NC1CC1)c2ccccc2 CSC000196367 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.2057 C(Nc1ccccc1)C2CC2 CSC011316272 [0,0,0,1,0,0|2,0,0]=3 143 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [0,0,0,1,0,0|2,0,0]=3 144 B10R1.21 CCCNCc1cccs1 CSC000186944 [0,0,0,0,1,0|3,0,0]=4 145 B10R1.21 CCCNCc1ccsc1 CSC000201670 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.21 OCCNCc1ccco1 CSC000200452 [0,0,0,0,1,0|3,0,0]=4 147 B10R1.21 OCCNCc1cccs1 CSC000200436 [0,0,0,0,1,0|3,0,0]=4 148 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [1,1,0,0,0,0|1,0,0]=3 151 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [1,1,0,0,0,0|1,0,0]=3 155 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [1,1,0,0,0,0|1,0,0]=3 159 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.1 NCCNc1ccc(cn1)Br CSC011214600 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.17 CCCCn1cnccc1=O CSC012650617 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.17 CCCOc1ccccc1Br CSC000174042 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.17 CCCOc1ccccc1C CSC000169983 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.17 CCCOc1ccccc1F CSC000173322 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.17 CCCSc1ccccc1Br CSC000230854 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.17 CCNCc1ccccc1F CSC000201217 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.17 Cc1ccccc1NCCO CSC011233185 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.17 Cc1ccccc1OCCO CSC011305843 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.17 Cc1cnccc1NCCN CSC011934644 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.17 FCCSc1ccccc1Br CSC010198681 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.17 NCCNc1ccncc1Br CSC013404666 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.17 NCCNc1ncccc1Br CSC011464841 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.17 OCCNc1ccccc1Br CSC011233104 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.17 OCCOc1ccccc1Cl CSC000230518 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.17 OCCOc1ccccc1F CSC000756447 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.17 OCCSc1ccccc1Br CSC000230852 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.17 OCCSc1ccccc1Cl CSC000230572 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.17 OCCSc1ccccc1F CSC000230732 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.24 Cc1cccc(c1)NCCO CSC011232808 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.24 Cc1cccc(c1)OCCO CSC011215094 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.24 Cc1cccc(c1)SCCO CSC011432187 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.24 Cc1ccnc(c1)NCCN CSC011532785 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.24 NCCNc1cncc(c1)Br CSC014501548 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.24 OCCOc1cccc(c1)F CSC011305856 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.24 OCCSc1cccc(c1)Br CSC011756134 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.24 OCCSc1cccc(c1)Cl CSC011721761 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.24 OCCSc1cccc(c1)F CSC011996949 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [1,1,0,0,0,0|1,0,0]=3 219 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.91 CC(C)CNc1ccccn1 CSC000156674 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.91 CC(C)NCc1ccncc1 CSC000200223 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.91 CC(N)CNc1ccccn1 CSC011914399 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.4 CCCCNCc1ccco1 CSC000200681 [0,1,0,0,1,0|2,0,0]=4 232 B11R1.4 CCCCNCc1cccs1 CSC000200673 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.4 CCCCNCc1ccsc1 CSC000200702 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.4 OCCCNCc1ccco1 CSC000200620 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.4 OCCCNCc1cccs1 CSC000187002 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.4 OCCCNCc1ccsc1 CSC000200639 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.29 CC(NCCN)c1ccco1 CSC011203454 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.30 CN(CCN)Cc1ccsc1 CSC011309580 [0,1,0,0,1,0|2,0,0]=4 239 B13R1.9 CCCCNCc1ccc(cc1)Br CSC000196029 [0,2,0,0,0,0|1,0,0]=3 240 B13R1.9 CCCCNCc1ccc(cc1)C CSC000196039 [0,2,0,0,0,0|1,0,0]=3 241 B13R1.9 CCCCNCc1ccc(cc1)Cl CSC000196030 [0,2,0,0,0,0|1,0,0]=3 242 B13R1.9 CCCCNCc1ccc(cc1)F CSC000196033 [0,2,0,0,0,0|1,0,0]=3 243 B13R1.9 CCOCCOc1ccc(cc1)Br CSC000169944 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.9 CNCCCOc1ccc(cc1)Br CSC011252684 [0,2,0,0,0,0|1,0,0]=3 245 B13R1.9 CNCCNCc1ccc(cc1)Br CSC013333344 [0,2,0,0,0,0|1,0,0]=3 246 B13R1.9 CNCCNCc1ccc(cn1)Br CSC013333242 [0,2,0,0,0,0|2,0,0]=4 247 B13R1.9 COCCNCc1ccc(cc1)Br CSC000195702 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.9 COCCNCc1ccc(cc1)C CSC000195714 [0,2,0,0,0,0|2,0,0]=4 249 B13R1.9 COCCNCc1ccc(cc1)Cl CSC000195703 [0,2,0,0,0,0|2,0,0]=4 250 B13R1.9 Cc1ccc(cc1)CNCCCO CSC000180846 [0,2,0,0,0,0|1,0,0]=3 251 B13R1.9 Cc1ccc(cc1)SCCCCO CSC011305944 [0,2,0,0,0,0|1,0,0]=3 252 B13R1.9 Clc1ccc(cc1)CSCCC#N CSC000172108 [0,2,0,0,0,0|0,0,2]=4 253 B13R1.9 NCCCCNc1ccc(cn1)Br CSC011368590 [0,2,0,0,0,0|1,0,0]=3 254 B13R1.9 OCCCCSc1ccc(cc1)Br CSC011305925 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.9 OCCCCSc1ccc(cc1)Cl CSC011305936 [0,2,0,0,0,0|1,0,0]=3 256 B13R1.9 OCCCCSc1ccc(cc1)O CSC011400793 [0,2,0,0,0,0|1,0,0]=3 257 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [0,2,0,0,0,0|1,0,0]=3 258 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [0,2,0,0,0,0|1,0,0]=3 259 B13R1.9 OCCCNCc1ccc(cc1)Cl CSC000186999 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.9 OCCCNCc1ccc(cc1)F CSC000180847 [0,2,0,0,0,0|1,0,0]=3 261 B13R1.14 CCC(C)NCc1ccc(cc1)Br CSC000187027 [0,2,0,0,0,0|2,0,0]=4 262 B13R1.14 CCC(C)NCc1ccc(cc1)C CSC000189136 [0,2,0,0,0,0|2,0,0]=4 263 B13R1.14 CCC(C)NCc1ccc(cc1)Cl CSC000180880 [0,2,0,0,0,0|2,0,0]=4 264 B13R1.14 CCC(C)NCc1ccc(cc1)F CSC000180881 [0,2,0,0,0,0|2,0,0]=4 265 B13R1.14 C[C@H](CN)NCc1ccc(cc1)Br CSC013509881 [0,2,0,0,0,0|1,0,0]=3 266 B13R1.14 C[C@H](CN)NCc1ccc(cn1)Br CSC013510141 [0,2,0,0,0,0|2,0,0]=4 267 B13R1.14 Cc1ccc(cc1)CNC(=O)CN CSC000168522 [0,2,0,0,0,0|1,0,1]=4 268 B13R1.14 NCC(=O)NCc1ccc(cc1)F CSC000168487 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.17 CC(NCCN)c1ccc(cc1)Br CSC011367360 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.17 CC(NCCN)c1ccc(cc1)I CSC011367598 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.17 CC(NCCO)c1ccc(cc1)F CSC000222785 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.17 Cc1ccc(cc1)C(=O)NCCN CSC000743167 [0,2,0,0,0,0|1,0,1]=4 273 B13R1.17 NCCNC(=O)c1ccc(cc1)F CSC000743757 [0,2,0,0,0,0|1,0,1]=4 274 B13R1.19 CN(CCN)Cc1ccc(cc1)Br CSC011293282 [0,2,0,0,0,0|1,0,0]=3 275 B13R1.19 CN(CCN)Cc1ccc(cc1)Br CSC011293282 [0,2,0,0,0,0|1,0,0]=3 276 B13R1.19 CN(CCN)Cc1ccc(cc1)C CSC011241367 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.19 CN(CCN)Cc1ccc(cc1)Cl CSC011293292 [0,2,0,0,0,0|1,0,0]=3 278 B13R1.19 CN(CCN)Cc1ccc(cc1)F CSC000767078 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.19 CN(CCN)Cc1ccc(cc1)I CSC012290998 [0,2,0,0,0,0|1,0,0]=3 280 B13R1.19 CN(CCN)Cc1ccc(cn1)Br CSC013319309 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.19 CN(CCO)Cc1ccc(cc1)Br CSC000224341 [0,2,0,0,0,0|2,0,0]=4 282 B13R1.19 CN(CCO)Cc1ccc(cc1)C CSC000224370 [0,2,0,0,0,0|2,0,0]=4 283 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl CSC000224337 [0,2,0,0,0,0|2,0,0]=4 284 B13R1.19 CN(CCO)Cc1ccc(cc1)F CSC000224347 [0,2,0,0,0,0|2,0,0]=4 285 B13R1.19 Cc1ccc(cc1)NC(=O)CCN CSC011195646 [0,2,0,0,0,0|1,0,1]=4 286 B13R1.19 NCCC(=O)Nc1ccc(cc1)Br CSC000743076 [0,2,0,0,0,0|1,0,1]=4 287 B13R1.19 NCCC(=O)Nc1ccc(cc1)Cl CSC011211768 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.19 NCCC(=O)Nc1ccc(cc1)F CSC011195649 [0,2,0,0,0,0|1,0,1]=4 289 B13R1.369 CCCCOc1ccc(cc1Br)F CSC000205391 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.369 CCCCOc1ccc(cc1F)Br CSC000230658 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.369 CCCNCc1ccc(cc1Br)F CSC011192383 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.369 CCCNCc1ccc(cc1C)Br CSC011327902 [0,2,0,0,0,0|2,0,0]=4 293 B13R1.369 CCCNCc1ccc(cc1Cl)Cl CSC000185533 [0,2,0,0,0,0|2,0,0]=4 294 B13R1.369 CCCNCc1ccc(cc1Cl)F CSC000226851 [0,2,0,0,0,0|2,0,0]=4 295 B13R1.369 CCCNCc1ccc(cc1F)Br CSC000196507 [0,2,0,0,0,0|2,0,0]=4 296 B13R1.369 CCCNCc1ccc(cc1F)Cl CSC011269149 [0,2,0,0,0,0|2,0,0]=4 297 B13R1.369 OCCCOc1ccc(cc1Br)F CSC000193650 [0,2,0,0,0,0|2,0,0]=4 298 B13R1.369 OCCNCc1ccc(cc1Br)F CSC011199322 [0,2,0,0,0,0|2,0,0]=4 299 B13R1.369 OCCNCc1ccc(cc1Cl)Cl CSC000186993 [0,2,0,0,0,0|2,0,0]=4 300 B13R1.369 OCCNCc1ccc(cc1Cl)Cl CSC000186993 [0,2,0,0,0,0|2,0,0]=4 301 B13R1.369 OCCNCc1ccc(cc1Cl)F CSC000224669 [0,2,0,0,0,0|2,0,0]=4 302 B13R1.369 OCCNCc1ccc(cc1F)Br CSC000200531 [0,2,0,0,0,0|2,0,0]=4 303 B13R1.369 OCCSCc1ccc(cc1Cl)Cl CSC011212905 [0,2,0,0,0,0|2,0,0]=4 304 B13R1.371 CCCCOc1ccc(cc1)C#N CSC000188571 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.371 CCCCOc1ccc(cc1)CN CSC000185561 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.371 CCCCOc1ccc(cc1)CO CSC011205736 [0,2,0,0,0,0|2,0,0]=4 307 B13R1.371 CCCCOc1ccc(cc1)SC CSC000030525 [0,2,0,0,0,0|2,0,0]=4 308 B13R1.371 CCCNCc1ccc(cc1)CC CSC000189088 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.371 CCCNCc1ccc(cc1)SC CSC000196472 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.371 CCc1ccc(cc1)CNCCO CSC000180887 [0,2,0,0,0,0|2,0,0]=4 311 B13R1.371 COc1ccc(cc1)CNCCO CSC000200446 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.371 COc1ccc(cc1)SCCCO CSC000214580 [0,2,0,0,0,0|2,0,0]=4 313 B13R1.371 CSc1ccc(cc1)CNCCO CSC000188285 [0,2,0,0,0,0|2,0,0]=4 314 B13R1.371 OCCNCc1ccc(cc1)C#N CSC000217853 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.371 OCCSCc1ccc(cc1)C#N CSC000182935 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.513 CC(C)CNCc1ccc(cc1)Br CSC000186981 [0,2,0,0,0,0|2,0,0]=4 317 B13R1.513 CC(C)CNCc1ccc(cc1)C CSC000180877 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.513 CC(C)CNCc1ccc(cc1)Cl CSC000180838 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.513 CC(C)CNCc1ccc(cc1)F CSC000180839 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.513 CC(O)CNCc1ccc(cc1)Br CSC000187449 [0,2,0,0,0,0|2,0,0]=4 321 B13R1.513 CC(O)CNCc1ccc(cc1)Br CSC000187449 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.513 CC(O)CNCc1ccc(cc1)C CSC000188770 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.513 CC(O)CNCc1ccc(cc1)Cl CSC000186849 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.513 CC(O)CNCc1ccc(cc1)F CSC000186854 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.513 Cc1ccc(cc1)SCCC(=O)N CSC000162367 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.513 NC(=O)CSCc1ccc(cc1)F CSC000162057 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.513 NC(=O)NCCc1ccc(cc1)Cl CSC000238947 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl CSC000196464 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.6 CCCCNCc1cccc(c1)Br CSC000196034 [0,2,0,0,0,0|1,0,0]=3 330 B13R1.6 CCCCNCc1cccc(c1)C CSC000196050 [0,2,0,0,0,0|1,0,0]=3 331 B13R1.6 CCCCNCc1cccc(c1)Cl CSC000188330 [0,2,0,0,0,0|1,0,0]=3 332 B13R1.6 CCOCCOc1cccc(c1)Br CSC000170000 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.6 CNCCNCc1cccc(c1)Br CSC013333450 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.6 CNCCNCc1cncc(c1)Br CSC013333181 [0,2,0,0,0,0|2,0,0]=4 335 B13R1.6 CNCCSCc1cccc(c1)Cl CSC019541928 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.6 COCCNCc1cccc(c1)Br CSC000195707 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.6 COCCNCc1cccc(c1)C CSC000195726 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.6 COCCNCc1cccc(c1)Cl CSC000195710 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.6 COCCNCc1cccc(c1)O CSC000195722 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.6 Cc1cccc(c1)CNCCCO CSC000196006 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.6 Cc1cccc(c1)SCCCCO CSC011432189 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.6 NCCCNCc1cccc(c1)F CSC011367676 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.6 OCCCCSc1cccc(c1)Br CSC011756142 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.6 OCCCCSc1cccc(c1)Cl CSC011721769 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.6 OCCCNCc1cccc(c1)Br CSC000186904 [0,2,0,0,0,0|1,0,0]=3 346 B13R1.6 OCCCNCc1cccc(c1)Br CSC000186904 [0,2,0,0,0,0|1,0,0]=3 347 B13R1.24 CC(CNCCO)c1ccccc1 CSC000200478 [0,2,0,0,0,0|1,0,0]=3 348 B13R1.24 CC(NCCCO)c1ccccc1 CSC000185500 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.24 CC(NCCCO)c1ccccn1 CSC000189390 [0,2,0,0,0,0|2,0,0]=4 350 B13R1.24 CC(NCCCO)c1cccnc1 CSC000186675 [0,2,0,0,0,0|2,0,0]=4 351 B13R1.24 CCCNCC(C)c1ccccc1 CSC000201663 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.28 CCCCCCNc1ccccc1 CSC000219565 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.28 CCCCCNCc1ccccc1 CSC000180875 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.28 CCCCCNCc1ccccn1 CSC000199920 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.28 CCCCCNCc1cccnc1 CSC000199921 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.28 CCCCCNCc1ccncc1 CSC000186958 [0,2,0,0,0,0|2,0,0]=4 357 B13R1.28 CCNCCNCc1ccccc1 CSC011556070 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.28 CCOCCSCc1ccccc1 CSC000006442 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.28 CNCCCNCc1ccccc1 CSC000215872 [0,2,0,0,0,0|0,0,0]=2 360 B13R1.28 CNCCCNCc1ccccn1 CSC000216241 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.28 CNCCCNCc1cccnc1 CSC000215880 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.28 CNCCCNCc1ccncc1 CSC000215879 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.28 COCCCNCc1ccccn1 CSC000200562 [0,2,0,0,0,0|2,0,0]=4 364 B13R1.28 COCCCNCc1cccnc1 CSC000200564 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.28 OCCCCNCc1ccccc1 CSC000186360 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.28 OCCCCNCc1ccccn1 CSC011521226 [0,2,0,0,0,0|2,0,0]=4 367 B13R1.28 OCCCCNCc1cccnc1 CSC000180861 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.28 OCCCCNCc1ccncc1 CSC000187398 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.42 CCCC(=O)NCc1ccccc1 CSC000153126 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.42 CCCC(=O)OCc1ccccc1 CSC000000759 [0,2,0,0,0,0|1,0,1]=4 371 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.42 CCCC(O)CSc1ccccc1 CSC012179918 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.42 CCNC(=O)CCc1ccccc1 CSC000160125 [0,2,0,0,0,0|1,0,1]=4 374 B13R1.42 CCOC(=O)CCc1ccccc1 CSC000170145 [0,2,0,0,0,0|1,0,1]=4 375 B13R1.42 CN(CCN)CCc1ccccc1 CSC011293287 [0,2,0,0,0,0|0,0,0]=2 376 B13R1.42 NCCC(=O)NCc1ccccn1 CSC000707143 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.44 CCCCC(=O)Oc1ccccc1 CSC000001940 [0,2,0,0,0,0|1,0,1]=4 378 B13R1.44 CCCCN(C)Cc1ccccc1 CSC000006983 [0,2,0,0,0,0|1,0,0]=3 379 B13R1.44 CCCCS(=O)Cc1ccccc1 CSC019146419 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.44 CN(CCC#N)Cc1ccccc1 CSC000177490 [0,2,0,0,0,0|0,0,2]=4 381 B13R1.44 CNCCC(=O)Nc1ccccc1 CSC011384505 [0,2,0,0,0,0|1,0,1]=4 382 B13R1.44 NCCCC(=O)Nc1cccnc1 CSC011211775 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.44 NCCCC(=O)Nc1ccncc1 CSC011225878 [0,2,0,0,0,0|1,0,1]=4 384 B13R1.44 NCCNC(=O)Nc1ccccc1 CSC011374578 [0,2,0,0,0,0|1,0,1]=4 385 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [0,2,0,0,0,0|1,0,1]=4 386 B13R1.337 CC(C)CCNCc1ccccc1 CSC000196072 [0,2,0,0,0,0|1,0,0]=3 387 B13R1.337 CC(C)CCNCc1ccccn1 CSC000200824 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.337 CC(C)CCNCc1cccnc1 CSC000200826 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.337 CC(C)CCNCc1ccncc1 CSC000200846 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.337 CC(C)CSCCc1ccncc1 CSC019744728 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.337 CC(C)NCCCc1ccccc1 CSC000200232 [0,2,0,0,0,0|1,0,0]=3 392 B13R1.337 CC(C)NCCOc1ccccc1 CSC000218508 [0,2,0,0,0,0|2,0,0]=4 393 B13R1.337 CC(C)NCCSc1ccccc1 CSC000232751 [0,2,0,0,0,0|2,0,0]=4 394 B13R1.337 NC(=O)NCCOc1ccccc1 CSC000189186 [0,2,0,0,0,0|1,0,1]=4 395 B13R1.555 CCCCCOc1ccccc1Br CSC011214832 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.555 CCCCNCc1ccccc1C CSC000196038 [0,2,0,0,0,0|1,0,0]=3 397 B13R1.555 CNCCCOc1ccccc1Cl CSC011252689 [0,2,0,0,0,0|1,0,0]=3 398 B13R1.555 CNCCCOc1ccccc1F CSC011252679 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.555 CNCCNCc1ccccc1Br CSC013333377 [0,2,0,0,0,0|1,0,0]=3 400 B13R1.555 COCCNCc1ccccc1C CSC000195713 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.555 COCCNCc1ccccc1Cl CSC000195700 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.555 COCCNCc1ccccc1F CSC000195720 [0,2,0,0,0,0|2,0,0]=4 403 B13R1.555 Cc1ccccc1CNCCCN CSC011367679 [0,2,0,0,0,0|0,0,0]=2 404 B13R1.555 Cc1ccccc1CNCCCO CSC000196000 [0,2,0,0,0,0|1,0,0]=3 405 B13R1.555 Cc1ccccc1SCCCCO CSC011363064 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.555 Fc1ccccc1OCCCC#N CSC000173232 [0,2,0,0,0,0|0,0,2]=4 407 B13R1.555 NCCCNCc1ccccc1Cl CSC011367663 [0,2,0,0,0,0|0,0,0]=2 408 B13R1.555 OCCCCSc1ccccc1Br CSC011305923 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.555 OCCCNCc1ccccc1Cl CSC000195995 [0,2,0,0,0,0|1,0,0]=3 410 B13R1.555 OCCCNCc1ccccc1F CSC000196003 [0,2,0,0,0,0|1,0,0]=3 411 B13R1.718 CC(CO)CNCc1ccccc1 CSC011493029 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.718 CCC(=O)OCCc1ccccc1 CSC000024285 [0,2,0,0,0,0|1,0,1]=4 413 B13R1.718 CCC(C)NCCc1ccccc1 CSC000199858 [0,2,0,0,0,0|1,0,0]=3 414 B13R1.718 CCC(C)NCCc1ccccn1 CSC000177427 [0,2,0,0,0,0|2,0,0]=4 415 B13R1.718 CNC(=O)CCSc1ccccc1 CSC000159960 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.718 CNC(=O)CSCc1ccccc1 CSC000149384 [0,2,0,0,0,0|1,0,1]=4 417 B13R1.718 CNC(=O)NCCc1ccccc1 CSC000235216 [0,2,0,0,0,0|1,0,1]=4 418 B13R1.718 COC(=O)CCCc1ccccc1 CSC011295115 [0,2,0,0,0,0|1,0,1]=4 419 B13R1.718 NNC(=O)CCOc1ccccc1 CSC000189865 [0,2,0,0,0,0|1,0,1]=4 420 B13R1.718 OCC(O)CNCc1ccccc1 CSC000157146 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.11 CC(NC(=O)CN)c1ccccc1 CSC000168438 [0,2,0,0,0,0|1,0,1]=4 422 B13R1.15 CC(CO)NCc1cccc(c1)Br CSC000714187 [0,2,0,0,0,0|2,0,0]=4 423 B13R1.15 CCC(C)NCc1cccc(c1)Br CSC000187015 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.15 CCC(C)NCc1cccc(c1)C CSC000223451 [0,2,0,0,0,0|2,0,0]=4 425 B13R1.15 CCC(C)NCc1cccc(c1)Cl CSC000215858 [0,2,0,0,0,0|2,0,0]=4 426 B13R1.15 C[C@H](CN)NCc1cccc(c1)Br CSC013509982 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.15 C[C@H](CN)NCc1cncc(c1)Br CSC013509954 [0,2,0,0,0,0|2,0,0]=4 428 B13R1.15 Cc1cccc(c1)CNC(=O)CN CSC011368966 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.15 NCC(=O)NCc1cccc(c1)Cl CSC000168498 [0,2,0,0,0,0|1,0,1]=4 430 B13R1.15 NCC(=O)NCc1cccc(c1)F CSC011248369 [0,2,0,0,0,0|1,0,1]=4 431 B13R1.15 OCC(O)CSc1cccc(c1)Cl CSC012650634 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.254 CC(C)(CO)NCc1ccccc1 CSC000186973 [0,2,0,0,0,0|2,0,0]=4 433 B13R1.254 CCC(C)(C)NCc1ccccc1 CSC011200195 [0,2,0,0,0,0|2,0,0]=4 434 B13R1.351 CC(C)C(C)NCc1ccccc1 CSC000196735 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.351 CC(CSc1ccccc1)C(=O)N CSC000071512 [0,2,0,0,0,0|1,0,1]=4 436 B13R1.351 CC(SCc1ccccc1)C(=O)N CSC000149388 [0,2,0,0,0,0|1,0,1]=4 437 B13R1.417 CCC(CC)NCc1ccccc1 CSC000196522 [0,2,0,0,0,0|2,0,0]=4 438 B13R1.417 CCC(CO)NCc1ccccc1 CSC000180821 [0,2,0,0,0,0|2,0,0]=4 439 B13R1.417 CC[C@@H](CO)NCc1ccccc1 CSC000700121 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.528 CCC(C)NCc1ccccc1Br CSC000223441 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.528 CCC(C)NCc1ccccc1C CSC000215861 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.528 CCC(C)NCc1ccccc1Cl CSC000215857 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.528 CCC(C)NCc1ccccc1F CSC000215860 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.528 C[C@H](CN)NCc1ccccc1Br CSC013509883 [0,2,0,0,0,0|1,0,0]=3 445 B13R1.528 Cc1ccccc1CNC(=O)CN CSC000214010 [0,2,0,0,0,0|1,0,1]=4 446 B13R1.528 NCC(=O)NCc1ccccc1Cl CSC000168405 [0,2,0,0,0,0|1,0,1]=4 447 B13R1.528 NCC(=O)NCc1ccccc1F CSC000214032 [0,2,0,0,0,0|1,0,1]=4 448 B13R1.528 NNC(=O)CCc1ccccc1Cl CSC000189955 [0,2,0,0,0,0|1,0,1]=4 449 B13R1.16 CCCCOc1cccc(c1F)F CSC000041136 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.16 CCCNCc1cccc(c1Cl)Cl CSC000201653 [0,2,0,0,0,0|2,0,0]=4 451 B13R1.16 OCCNCc1cccc(c1Cl)Cl CSC000200461 [0,2,0,0,0,0|2,0,0]=4 452 B13R1.18 CC(NCCN)c1cccc(c1)Br CSC011367362 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.18 CC(NCCO)c1cccc(c1)Cl CSC000713799 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.18 Cc1cccc(c1)C(=O)NCCN CSC000743480 [0,2,0,0,0,0|1,0,1]=4 455 B13R1.18 NCCNC(=O)c1cccc(c1)F CSC011198460 [0,2,0,0,0,0|1,0,1]=4 456 B13R1.20 CN(CCN)Cc1cccc(c1)Br CSC011293288 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.20 CN(CCN)Cc1cccc(c1)Br CSC011293288 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.20 CN(CCN)Cc1cccc(c1)Cl CSC011293291 [0,2,0,0,0,0|1,0,0]=3 459 B13R1.20 CN(CCN)Cc1cccc(c1)F CSC011241445 [0,2,0,0,0,0|1,0,0]=3 460 B13R1.20 CN(CCN)Cc1cncc(c1)Br CSC013337707 [0,2,0,0,0,0|2,0,0]=4 461 B13R1.20 CN(CCO)Cc1cccc(c1)Br CSC000224461 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.20 CN(CCO)Cc1cccc(c1)Cl CSC000224350 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.20 CN(CCO)Cc1cccc(c1)F CSC000224427 [0,2,0,0,0,0|2,0,0]=4 464 B13R1.20 Cc1cccc(c1)NC(=O)CCN CSC011195692 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.20 NCCC(=O)Nc1cccc(c1)F CSC011195648 [0,2,0,0,0,0|1,0,1]=4 466 B13R1.55 CCCCOc1cc(cc(c1)F)F CSC009884381 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.149 CC(C)CNCc1cccc(c1)Br CSC000186988 [0,2,0,0,0,0|2,0,0]=4 468 B13R1.149 CC(C)CNCc1cccc(c1)Cl CSC000196289 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.149 CC(O)CNCc1cccc(c1)Br CSC000189066 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.149 CC(O)CNCc1cccc(c1)Br CSC000189066 [0,2,0,0,0,0|2,0,0]=4 471 B13R1.149 CC(O)CNCc1cccc(c1)Cl CSC000189391 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.149 FC(F)CNCc1cccc(c1)Br CSC011472988 [0,2,0,0,0,0|2,0,0]=4 473 B13R1.149 NC(=O)CSCc1cccc(c1)Cl CSC000162069 [0,2,0,0,0,0|1,0,1]=4 474 B13R1.656 CCCNCc1cc(ccc1Br)F CSC011233191 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.656 CCCNCc1cc(ccc1F)Cl CSC011269147 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.656 OCCNCc1cc(ccc1Br)F CSC011303652 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.656 OCCNCc1cc(ccc1Cl)Cl CSC012258754 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.666 CCCCOc1cccc(c1)CO CSC011232712 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.666 CCCNCc1cccc(c1)OC CSC000196470 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.666 COc1cccc(c1)CNCCO CSC000200475 [0,2,0,0,0,0|2,0,0]=4 481 B13R1.666 COc1cccc(c1)SCCCO CSC011305947 [0,2,0,0,0,0|2,0,0]=4 482 B13R1.26 CCC(NCCO)c1ccccc1 CSC000713835 [0,2,0,0,0,0|2,0,0]=4 483 B13R1.45 CC(C)NCC(C)c1ccccc1 CSC000200219 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.45 CC(C)NCC(O)c1ccccc1 CSC000227977 [0,2,0,0,0,0|2,0,0]=4 485 B13R1.47 CC(N(C)CCN)c1ccccn1 CSC011728734 [0,2,0,0,0,0|2,0,0]=4 486 B13R1.47 CN(C(=O)CCN)c1ccccc1 CSC000739442 [0,2,0,0,0,0|1,0,1]=4 487 B13R1.122 CCCCS(=O)(=O)c1ccccc1 CSC000014075 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.122 NCCNS(=O)(=O)c1ccccc1 CSC000746481 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.674 CC(NCCN)c1ccccc1Br CSC011367381 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.674 Cc1ccccc1C(=O)NCCN CSC011198457 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.674 NCCNC(=O)c1ccccc1F CSC000743724 [0,2,0,0,0,0|1,0,1]=4 492 B13R1.674 NCCNC(=O)c1ccccc1O CSC000744561 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.79 CCN(CCN)Cc1ccccc1 CSC011249955 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.470 CN(CCN)Cc1ccccc1Br CSC011293302 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.470 CN(CCN)Cc1ccccc1Br CSC011293302 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.470 CN(CCN)Cc1ccccc1C CSC011293283 [0,2,0,0,0,0|1,0,0]=3 497 B13R1.470 CN(CCN)Cc1ccccc1Cl CSC011293279 [0,2,0,0,0,0|1,0,0]=3 498 B13R1.470 CN(CCN)Cc1ccccc1F CSC011293294 [0,2,0,0,0,0|1,0,0]=3 499 B13R1.470 CN(CCO)Cc1ccccc1Br CSC000224450 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.470 CN(CCO)Cc1ccccc1C CSC000224444 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.470 CN(CCO)Cc1ccccc1Cl CSC000224351 [0,2,0,0,0,0|2,0,0]=4 502 B13R1.470 CN(CCO)Cc1ccccc1F CSC000224327 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.470 Cc1ccccc1NC(=O)CCN CSC011202973 [0,2,0,0,0,0|1,0,1]=4 504 B13R1.158 CC(C)CCOc1ccccc1Br CSC011214839 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.158 CC(C)CNCc1ccccc1C CSC000196292 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.158 CC(C)CNCc1ccccc1Cl CSC000196285 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.158 CC(C)CNCc1ccccc1F CSC000186672 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.158 CC(O)CNCc1ccccc1Br CSC000196636 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.158 CC(O)CNCc1ccccc1C CSC000196629 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.158 CC(O)CNCc1ccccc1Cl CSC000196624 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.158 CC(O)CNCc1ccccc1F CSC000186673 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.158 Cc1ccccc1CSCC(=O)N CSC000148330 [0,2,0,0,0,0|1,0,1]=4 513 B13R1.158 NC(=O)CSCc1ccccc1Br CSC000148301 [0,2,0,0,0,0|1,0,1]=4 514 B13R1.158 NC(=O)CSCc1ccccc1Cl CSC000164481 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.3523 CC(C)(O)CNCc1ccccc1 CSC000697163 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.3523 FC(F)(F)CCSc1ccccc1 CSC000043975 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.3523 FC(F)(F)CNCc1ccccc1 CSC000181772 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.3523 FC(F)(F)CSCc1ccccc1 CSC000038770 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.84 CCCCOc1ccccc1C#N CSC000188587 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.84 CCCCOc1ccccc1CN CSC000185558 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.84 CCCCOc1ccccc1SC CSC010368021 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.84 CCCNCc1ccccc1OC CSC000189378 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.84 COc1ccccc1SCCCO CSC011448454 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.84 OCCSCc1ccccc1C#N CSC000238759 [0,2,0,0,0,0|2,0,0]=4 525 B13R1.8919 CCCNCc1c(cccc1Cl)Cl CSC000186948 [0,2,0,0,0,0|2,0,0]=4 526 B13R1.8919 OCCNCc1c(cccc1Cl)Cl CSC000187378 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.8919 OCCNCc1c(cccc1Cl)Cl CSC000187378 [0,2,0,0,0,0|2,0,0]=4 528 B13R1.8919 OCCNCc1c(cccc1Cl)F CSC000186994 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.8919 OCCSCc1c(cccc1Cl)Cl CSC011212908 [0,2,0,0,0,0|2,0,0]=4 530 B13R2.527 Brc1ccc(cc1)CNC2CC2 CSC000196374 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.527 Cc1ccc(cc1)CNC2CC2 CSC000196391 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.527 Clc1ccc(cc1)NCC2CC2 CSC011316285 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.527 Fc1ccc(cc1)OCC2CC2 CSC012146133 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.1 NCCN1CCc2c1cccc2 CSC000746702 [0,1,0,1,0,0|0,0,0]=2 535 B13R2.3 C1CCN(CC1)c2ccccn2 CSC000156112 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.64 C(N1CCCC1)c2ccccc2 CSC000174533 [0,1,0,1,0,0|1,0,0]=3 537 B13R2.64 C(N1CCCC1)c2ccccn2 CSC011191286 [0,1,0,1,0,0|2,0,0]=4 538 B13R2.64 C(N1CCCC1)c2cccnc2 CSC011191287 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.64 C1CCC(C1)Nc2ccccn2 CSC000156706 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [0,1,0,1,0,0|1,0,0]=3 541 B13R2.64 C1C[C@@H](CN1)Nc2ccccn2 CSC010291599 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.1613 CCN1CCCc2c1cccc2 CSC000014527 [0,1,0,1,0,0|1,0,0]=3 543 B13R2.2382 C(NCc1ccccc1)C2CC2 CSC000186374 [0,1,0,1,0,0|1,0,0]=3 544 B13R2.2383 C(Nc1ccccc1)C2CCC2 CSC000685713 [0,1,0,1,0,0|1,0,0]=3 545 B13R2.57 CCN1CCc2ccccc2C1 CSC046083894 [0,1,0,1,0,0|2,0,0]=4 546 B13R2.5331 Brc1cccc(c1)CNC2CC2 CSC000196381 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.5331 Brc1cccc(c1)OCC2CC2 CSC011316337 [0,1,0,1,0,0|2,0,0]=4 548 B13R2.5331 Clc1cccc(c1)CNC2CC2 CSC000189301 [0,1,0,1,0,0|2,0,0]=4 549 B13R2.26 CCCN1Cc2ccccc2C1 CSC015376979 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.444 CC(Nc1ccccc1)C2CC2 CSC011230787 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.72 NC(=O)N1CCc2c1cccc2 CSC000238899 [0,1,0,1,0,0|1,0,1]=4 552 B13R2.3587 Brc1ccccc1CNC2CC2 CSC000196411 [0,1,0,1,0,0|2,0,0]=4 553 B13R2.3587 Brc1ccccc1NCC2CC2 CSC000714420 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.3587 Cc1ccccc1CNC2CC2 CSC000196390 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.3587 Clc1ccccc1CNC2CC2 CSC000188281 [0,1,0,1,0,0|2,0,0]=4 556 B13R2.3587 Fc1ccccc1CNC2CC2 CSC000196399 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.12 CCNCc1cccs1 CSC000186918 [1,0,0,0,1,0|2,0,0]=4 558 B9R1.12 CCNCc1ccsc1 CSC000201226 [1,0,0,0,1,0|2,0,0]=4 559 B9R1.12 CCSCc1ccco1 CSC000028914 [1,0,0,0,1,0|2,0,0]=4