0 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.8 CCCCCSc1ccccc1 CSC000048317 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.8 CCCCNCc1ccccn1 CSC000200672 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.8 CCCCNCc1cccnc1 CSC000200674 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.8 CCCCNCc1ccncc1 CSC000200698 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.8 CCOCCSc1ccccn1 CSC000006452 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.8 COCCNCc1ccncc1 CSC000200151 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.8 N#CCCCSc1ccccc1 CSC000172413 [0,0,0,0,0,0|2,0,1]=3 11 B12R1.8 N#CCCSCc1ccccc1 CSC000172150 [0,0,0,0,0,0|2,0,1]=3 12 B12R1.8 OCCCNCc1ccccn1 CSC000200612 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.28 CC#CCNc1ccccc1 CSC011641403 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.28 CCCCNc1ccccn1 CSC000156416 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.28 CCCCSc1ncccn1 CSC000002571 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.28 CCCNCc1ccccn1 CSC000201641 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.28 CCCNCc1ccncc1 CSC000180873 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.28 COCCSc1ccccn1 CSC000024487 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,0,0,0,0,0|1,0,0]=2 29 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.28 OCCNCc1ccccn1 CSC000200435 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.28 OCCNCc1ccncc1 CSC000200482 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,0,0,0,0,0|1,0,0]=2 33 B13R1.6 CCCCNCc1cccc(c1)Br CSC000196034 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.6 CCCCNCc1cccc(c1)C CSC000196050 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.6 CCCCNCc1cccc(c1)Cl CSC000188330 [0,1,0,0,0,0|2,0,0]=3 36 B13R1.6 CCOCCOc1cccc(c1)Br CSC000170000 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.6 CNCCNCc1cccc(c1)Br CSC013333450 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.6 CNCCSCc1cccc(c1)Cl CSC019541928 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.6 COCCNCc1cccc(c1)Br CSC000195707 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.6 COCCNCc1cccc(c1)C CSC000195726 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.6 COCCNCc1cccc(c1)Cl CSC000195710 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.6 COCCNCc1cccc(c1)O CSC000195722 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.6 Cc1cccc(c1)CNCCCO CSC000196006 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.6 Cc1cccc(c1)SCCCCO CSC011432189 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.6 NCCCNCc1cccc(c1)F CSC011367676 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.6 OCCCCSc1cccc(c1)Br CSC011756142 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.6 OCCCCSc1cccc(c1)Cl CSC011721769 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.6 OCCCNCc1cccc(c1)Br CSC000186904 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.6 OCCCNCc1cccc(c1)Br CSC000186904 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.9 CCCCNCc1ccc(cc1)Br CSC000196029 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.9 CCCCNCc1ccc(cc1)C CSC000196039 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.9 CCCCNCc1ccc(cc1)Cl CSC000196030 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.9 CCCCNCc1ccc(cc1)F CSC000196033 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.9 CCOCCOc1ccc(cc1)Br CSC000169944 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.9 CNCCCOc1ccc(cc1)Br CSC011252684 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.9 CNCCNCc1ccc(cc1)Br CSC013333344 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.9 COCCNCc1ccc(cc1)Br CSC000195702 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.9 COCCNCc1ccc(cc1)C CSC000195714 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.9 COCCNCc1ccc(cc1)Cl CSC000195703 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.9 Cc1ccc(cc1)CNCCCO CSC000180846 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.9 Cc1ccc(cc1)SCCCCO CSC011305944 [0,1,0,0,0,0|1,0,0]=2 62 B13R1.9 Clc1ccc(cc1)CSCCC#N CSC000172108 [0,1,0,0,0,0|2,0,1]=4 63 B13R1.9 NCCCCNc1ccc(cn1)Br CSC011368590 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.9 OCCCCSc1ccc(cc1)Br CSC011305925 [0,1,0,0,0,0|1,0,0]=2 65 B13R1.9 OCCCCSc1ccc(cc1)Cl CSC011305936 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.9 OCCCCSc1ccc(cc1)O CSC011400793 [0,1,0,0,0,0|1,0,0]=2 67 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [0,1,0,0,0,0|1,0,0]=2 68 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [0,1,0,0,0,0|1,0,0]=2 69 B13R1.9 OCCCNCc1ccc(cc1)Cl CSC000186999 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.9 OCCCNCc1ccc(cc1)F CSC000180847 [0,1,0,0,0,0|1,0,0]=2 71 B13R1.24 CC(CNCCO)c1ccccc1 CSC000200478 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.24 CC(NCCCO)c1ccccc1 CSC000185500 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.24 CC(NCCCO)c1ccccn1 CSC000189390 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.24 CC(NCCCO)c1cccnc1 CSC000186675 [0,1,0,0,0,0|2,0,0]=3 75 B13R1.24 CCCNCC(C)c1ccccc1 CSC000201663 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.24 OCCCNC(=O)c1cccnc1 CSC000208339 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.24 OCCCNC(=O)c1ccncc1 CSC000208338 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.28 CCCCCCNc1ccccc1 CSC000219565 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.28 CCCCCNCc1ccccc1 CSC000180875 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.28 CCCCCNCc1ccccn1 CSC000199920 [0,1,0,0,0,0|2,0,0]=3 81 B13R1.28 CCCCCNCc1cccnc1 CSC000199921 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.28 CCCCCNCc1ccncc1 CSC000186958 [0,1,0,0,0,0|2,0,0]=3 83 B13R1.28 CCNCCNCc1ccccc1 CSC011556070 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.28 CCOCCSCc1ccccc1 CSC000006442 [0,1,0,0,0,0|2,0,0]=3 85 B13R1.28 CNCCCNCc1ccccc1 CSC000215872 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.28 CNCCCNCc1ccccn1 CSC000216241 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.28 CNCCCNCc1cccnc1 CSC000215880 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.28 CNCCCNCc1ccncc1 CSC000215879 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.28 COCCCNCc1ccccn1 CSC000200562 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.28 COCCCNCc1cccnc1 CSC000200564 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.28 OCCCCNCc1ccccc1 CSC000186360 [0,1,0,0,0,0|0,0,0]=1 92 B13R1.28 OCCCCNCc1ccccn1 CSC011521226 [0,1,0,0,0,0|1,0,0]=2 93 B13R1.28 OCCCCNCc1cccnc1 CSC000180861 [0,1,0,0,0,0|1,0,0]=2 94 B13R1.28 OCCCCNCc1ccncc1 CSC000187398 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.42 CCCC(=O)NCc1ccccc1 CSC000153126 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.42 CCCC(=O)OCc1ccccc1 CSC000000759 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.42 CCCC(O)CSc1ccccc1 CSC012179918 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.42 CCNC(=O)CCc1ccccc1 CSC000160125 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.42 CCOC(=O)CCc1ccccc1 CSC000170145 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.42 CN(CCN)CCc1ccccc1 CSC011293287 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.44 CCCCC(=O)Oc1ccccc1 CSC000001940 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.44 CCCCN(C)Cc1ccccc1 CSC000006983 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.44 CCCCS(=O)Cc1ccccc1 CSC019146419 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.44 CN(CCC#N)Cc1ccccc1 CSC000177490 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.44 OCCNC(=O)Nc1ccccc1 CSC000212871 [0,1,0,0,0,0|2,0,1]=4 107 B13R1.337 CC(=O)OCCCc1ccccc1 CSC000006332 [0,1,0,0,0,0|1,0,2]=4 108 B13R1.337 CC(C)CCNCc1ccccc1 CSC000196072 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.337 CC(C)CCNCc1ccccn1 CSC000200824 [0,1,0,0,0,0|3,0,0]=4 110 B13R1.337 CC(C)CCNCc1cccnc1 CSC000200826 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.337 CC(C)CCNCc1ccncc1 CSC000200846 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.337 CC(C)CSCCc1ccncc1 CSC019744728 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.337 CC(C)NCCCc1ccccc1 CSC000200232 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.337 CC(C)NCCOc1ccccc1 CSC000218508 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.337 CC(C)NCCSc1ccccc1 CSC000232751 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.555 CCCCCOc1ccccc1Br CSC011214832 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.555 CCCCNCc1ccccc1C CSC000196038 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.555 CNCCCOc1ccccc1Cl CSC011252689 [0,1,0,0,0,0|3,0,0]=4 119 B13R1.555 CNCCCOc1ccccc1F CSC011252679 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.555 CNCCNCc1ccccc1Br CSC013333377 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.555 COCCNCc1ccccc1C CSC000195713 [0,1,0,0,0,0|3,0,0]=4 122 B13R1.555 COCCNCc1ccccc1Cl CSC000195700 [0,1,0,0,0,0|3,0,0]=4 123 B13R1.555 COCCNCc1ccccc1F CSC000195720 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.555 Cc1ccccc1CNCCCN CSC011367679 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.555 Cc1ccccc1CNCCCO CSC000196000 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.555 Cc1ccccc1SCCCCO CSC011363064 [0,1,0,0,0,0|1,0,0]=2 127 B13R1.555 Fc1ccccc1OCCCC#N CSC000173232 [0,1,0,0,0,0|2,0,1]=4 128 B13R1.555 NCCCNCc1ccccc1Cl CSC011367663 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.555 OCCCCSc1ccccc1Br CSC011305923 [0,1,0,0,0,0|1,0,0]=2 130 B13R1.555 OCCCNCc1ccccc1Cl CSC000195995 [0,1,0,0,0,0|1,0,0]=2 131 B13R1.555 OCCCNCc1ccccc1F CSC000196003 [0,1,0,0,0,0|1,0,0]=2 132 B13R1.718 CC(CO)CNCc1ccccc1 CSC011493029 [0,1,0,0,0,0|1,0,0]=2 133 B13R1.718 CCC(=O)OCCc1ccccc1 CSC000024285 [0,1,0,0,0,0|2,0,1]=4 134 B13R1.718 CCC(C)NCCc1ccccc1 CSC000199858 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.718 CCC(C)NCCc1ccccn1 CSC000177427 [0,1,0,0,0,0|3,0,0]=4 136 B13R1.718 COC(=O)CCCc1ccccc1 CSC011295115 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.718 OCC(O)CNCc1ccccc1 CSC000157146 [0,1,0,0,0,0|1,0,0]=2 138 B13R2.1 NCCN1CCc2c1cccc2 CSC000746702 [0,0,0,1,0,0|2,0,0]=3 139 B13R2.1 OCCn1cnc2c1cccc2 CSC011203609 [0,0,0,1,0,0|2,0,1]=4 140 B13R2.1 OCCn1nnc2c1cccc2 CSC000045211 [0,0,0,1,0,0|3,0,0]=4 141 B13R2.3 C1CCN(CC1)c2ccccn2 CSC000156112 [0,0,0,1,0,0|3,0,0]=4 142 B13R2.64 C(N1CCCC1)c2ccccc2 CSC000174533 [0,0,0,1,0,0|2,0,0]=3 143 B13R2.64 C(N1CCCC1)c2ccccn2 CSC011191286 [0,0,0,1,0,0|3,0,0]=4 144 B13R2.64 C(N1CCCC1)c2cccnc2 CSC011191287 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.64 C1CCC(C1)Nc2ccccn2 CSC000156706 [0,0,0,1,0,0|3,0,0]=4 146 B13R2.64 C1CCC(C1)Oc2ccccc2 CSC000702741 [0,0,0,1,0,0|2,0,0]=3 147 B13R2.1613 CCN1CCCc2c1cccc2 CSC000014527 [0,0,0,1,0,0|2,0,0]=3 148 B13R2.2382 C(NCc1ccccc1)C2CC2 CSC000186374 [0,0,0,1,0,0|2,0,0]=3 149 B13R2.2383 C(Nc1ccccc1)C2CCC2 CSC000685713 [0,0,0,1,0,0|2,0,0]=3 150 B11R1.4 CCCCNCc1ccco1 CSC000200681 [0,0,0,0,1,0|3,0,0]=4 151 B11R1.4 CCCCNCc1cccs1 CSC000200673 [0,0,0,0,1,0|3,0,0]=4 152 B11R1.4 CCCCNCc1ccsc1 CSC000200702 [0,0,0,0,1,0|3,0,0]=4 153 B11R1.4 OCCCNCc1ccco1 CSC000200620 [0,0,0,0,1,0|2,0,0]=3 154 B11R1.4 OCCCNCc1cccs1 CSC000187002 [0,0,0,0,1,0|2,0,0]=3 155 B11R1.4 OCCCNCc1ccsc1 CSC000200639 [0,0,0,0,1,0|2,0,0]=3 156 B10R1.17 CCCSc1ccccc1 CSC000005822 [2,0,0,0,0,0|1,0,0]=3 157 B10R1.17 CCCSc1ccccn1 CSC000006455 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.17 CCSCc1ccccc1 CSC000006444 [2,0,0,0,0,0|1,0,0]=3 159 B10R1.17 COCSc1ccccc1 CSC000000817 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.17 CSCCc1ccncc1 CSC015420737 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.17 OCCSc1ccccc1 CSC000230494 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.17 OCCSc1ccccn1 CSC000156319 [2,0,0,0,0,0|2,0,0]=4 163 B10R1.17 OCCSc1ccncc1 CSC011297907 [2,0,0,0,0,0|2,0,0]=4 164 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [1,1,0,0,0,0|1,0,0]=3 165 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [1,1,0,0,0,0|1,0,0]=3 167 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.1 CCCCSc1ccc(cc1)C CSC000015701 [1,1,0,0,0,0|1,0,0]=3 169 B12R1.1 CCCNCc1ccc(cc1)Br CSC000186942 [1,1,0,0,0,0|1,0,0]=3 170 B12R1.1 CCCNCc1ccc(cc1)C CSC000186941 [1,1,0,0,0,0|1,0,0]=3 171 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.1 COCCSc1ccc(cc1)C CSC000022196 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.1 COCCSc1ccc(cc1)Cl CSC000022191 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.1 Cc1ccc(cc1)CSCCO CSC011212911 [1,1,0,0,0,0|1,0,0]=3 175 B12R1.1 Cc1ccc(cc1)SCCCO CSC000213565 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.1 OCCCSc1ccc(cc1)Br CSC000213788 [1,1,0,0,0,0|1,0,0]=3 177 B12R1.1 OCCCSc1ccc(cc1)Cl CSC000212878 [1,1,0,0,0,0|1,0,0]=3 178 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [1,1,0,0,0,0|1,0,0]=3 179 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [1,1,0,0,0,0|1,0,0]=3 180 B12R1.1 OCCNCc1ccc(cc1)Cl CSC000180886 [1,1,0,0,0,0|1,0,0]=3 181 B12R1.1 OCCNCc1ccc(cc1)F CSC000180845 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.1 OCCSCc1ccc(cc1)Br CSC011212529 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.1 OCCSCc1ccc(cc1)Cl CSC000186141 [1,1,0,0,0,0|1,0,0]=3 184 B12R1.1 OCCSCc1ccc(cc1)F CSC011212906 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.1 OCCSCc1ccc(cc1)I CSC000238427 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.27 CCC(N)CNc1ccccn1 CSC011915201 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [1,1,0,0,0,0|1,0,0]=3 197 B12R1.28 CCCCNc1cccc(c1)C CSC000219676 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.28 CCCCOc1cccc(c1)Br CSC011212284 [1,1,0,0,0,0|1,0,0]=3 199 B12R1.28 CCCNCc1cccc(c1)Br CSC000187640 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.28 CCCNCc1cccc(c1)C CSC000196480 [1,1,0,0,0,0|1,0,0]=3 201 B12R1.28 CCCNCc1cccc(c1)Cl CSC000196467 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.28 CCCNCc1cccc(c1)F CSC000196477 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.28 COCCSc1cccc(c1)Br CSC009815756 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.28 COCCSc1cccc(c1)C CSC000055748 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.28 Cc1cccc(c1)CSCCO CSC011212950 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.28 Cc1cccc(c1)SCCCO CSC011432191 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.28 OCCCSc1cccc(c1)Br CSC011756144 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.28 OCCCSc1cccc(c1)Cl CSC011721771 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.28 OCCNCc1cccc(c1)Br CSC000187539 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.28 OCCSCc1cccc(c1)Cl CSC011212903 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.28 OCCSCc1cccc(c1)F CSC011212928 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [1,1,0,0,0,0|1,0,0]=3 213 B12R1.30 CC(NCCO)c1ccccn1 CSC000713832 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [1,1,0,0,0,0|1,0,0]=3 216 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [1,1,0,0,0,0|1,0,0]=3 218 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.32 CN(CCO)Cc1ccccn1 CSC011317074 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.32 CN(CCO)Cc1cccnc1 CSC011316762 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.32 CN(CCO)Cc1ccncc1 CSC000224485 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [1,1,0,0,0,0|1,0,1]=4 224 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [1,1,0,0,0,0|1,0,1]=4 225 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [1,1,0,0,0,0|1,0,1]=4 226 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [1,1,0,0,0,0|1,0,1]=4 227 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.252 CC(C)CNCc1cccnc1 CSC000180878 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.252 CC(C)CNCc1ccncc1 CSC000187584 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.252 CC(C)NCCc1ccccc1 CSC000200190 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.252 CC(O)CNCc1cccnc1 CSC000180864 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.252 CC(O)CNCc1ccncc1 CSC000186853 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [1,1,0,0,0,0|0,0,2]=4 235 B12R1.267 CCCCOc1ccccc1C CSC011212280 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.267 CCCNCc1ccccc1C CSC000196471 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.267 CCCNCc1ccccc1Cl CSC000196458 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.267 Cc1ccccc1CNCCO CSC000200476 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.267 Cc1ccccc1SCCCO CSC011363065 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.267 OCCCSc1ccccc1Br CSC000230866 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.267 OCCCSc1ccccc1Cl CSC000213372 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.267 OCCNCc1ccccc1Cl CSC000200449 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.267 OCCNCc1ccccc1F CSC000200485 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.267 OCCSCc1ccccc1Cl CSC011212904 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.267 OCCSCc1ccccc1F CSC000238361 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.7 Cc1ccc(o1)CNCCCO CSC000200636 [0,1,0,0,1,0|2,0,0]=4 247 B12R1.7 Cc1ccc(s1)CNCCCO CSC000187596 [0,1,0,0,1,0|2,0,0]=4 248 B12R1.7 OCCCNCc1cc(cs1)Br CSC000200656 [0,1,0,0,1,0|2,0,0]=4 249 B12R1.7 OCCCNCc1cc(cs1)Cl CSC012567602 [0,1,0,0,1,0|2,0,0]=4 250 B12R1.7 OCCCNCc1ccc(o1)Br CSC000200652 [0,1,0,0,1,0|2,0,0]=4 251 B12R1.7 OCCCNCc1ccc(s1)Cl CSC000224903 [0,1,0,0,1,0|2,0,0]=4 252 B12R1.37 CCCCCNCc1ccco1 CSC000199926 [0,1,0,0,1,0|2,0,0]=4 253 B12R1.37 CCCCCNCc1cccs1 CSC000186957 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.37 CCCCCNCc1ccsc1 CSC000199941 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.37 COCCCNCc1ccco1 CSC000200569 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.37 COCCCNCc1cccs1 CSC000200563 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.37 COCCCNCc1ccsc1 CSC000200587 [0,1,0,0,1,0|2,0,0]=4 258 B12R1.37 OCCCCNCc1ccco1 CSC011521240 [0,1,0,0,1,0|1,0,0]=3 259 B12R1.37 OCCCCNCc1cccs1 CSC000186801 [0,1,0,0,1,0|1,0,0]=3 260 B12R1.37 OCCCCNCc1ccsc1 CSC011832343 [0,1,0,0,1,0|1,0,0]=3 261 B12R1.372 Cc1ccsc1CNCCCO CSC000187024 [0,1,0,0,1,0|2,0,0]=4 262 B14R1.9 CCCCNCc1cccc(c1Cl)Cl CSC000188287 [0,2,0,0,0,0|2,0,0]=4 263 B14R1.9 OCCCNCc1cccc(c1Cl)Cl CSC000200622 [0,2,0,0,0,0|1,0,0]=3 264 B14R1.20 OCCCNC(=O)c1cccc(c1)Cl CSC000191949 [0,2,0,0,0,0|1,0,1]=4 265 B14R1.20 OCCCNC(=O)c1cccc(c1)F CSC000191961 [0,2,0,0,0,0|1,0,1]=4 266 B14R1.26 CCCCCNCc1cccc(c1)Br CSC000189090 [0,2,0,0,0,0|1,0,0]=3 267 B14R1.26 CCCCCNCc1cccc(c1)C CSC000223526 [0,2,0,0,0,0|1,0,0]=3 268 B14R1.26 CCCCCNCc1cccc(c1)Cl CSC000215853 [0,2,0,0,0,0|1,0,0]=3 269 B14R1.26 CCNCCNCc1cccc(c1)Br CSC013333680 [0,2,0,0,0,0|2,0,0]=4 270 B14R1.26 CCNCCNCc1cccc(c1)Cl CSC013333529 [0,2,0,0,0,0|2,0,0]=4 271 B14R1.26 CNCCCNCc1cccc(c1)Br CSC000215894 [0,2,0,0,0,0|2,0,0]=4 272 B14R1.26 CNCCCNCc1cccc(c1)C CSC013339258 [0,2,0,0,0,0|2,0,0]=4 273 B14R1.26 CNCCCNCc1cccc(c1)Cl CSC000215865 [0,2,0,0,0,0|2,0,0]=4 274 B14R1.26 COCCCNCc1cccc(c1)C CSC000195977 [0,2,0,0,0,0|1,0,0]=3 275 B14R1.26 COCCCNCc1cccc(c1)Cl CSC000195966 [0,2,0,0,0,0|1,0,0]=3 276 B14R1.26 COCCCNCc1cccc(c1)Cl CSC000195966 [0,2,0,0,0,0|1,0,0]=3 277 B14R1.26 CSCCCNCc1cccc(c1)Br CSC011472972 [0,2,0,0,0,0|1,1,0]=4 278 B14R1.26 CSCCCNCc1cccc(c1)Cl CSC000207733 [0,2,0,0,0,0|1,1,0]=4 279 B14R1.26 Cc1cccc(c1)CNCCCCO CSC011521322 [0,2,0,0,0,0|0,0,0]=2 280 B14R1.26 Cc1cccc(c1)SCCCCCO CSC011629577 [0,2,0,0,0,0|0,0,0]=2 281 B14R1.26 OCCCCCSc1cccc(c1)Br CSC011756140 [0,2,0,0,0,0|0,0,0]=2 282 B14R1.26 OCCCCCSc1cccc(c1)Cl CSC011721767 [0,2,0,0,0,0|0,0,0]=2 283 B14R1.26 OCCCCNCc1cccc(c1)Br CSC000185689 [0,2,0,0,0,0|0,0,0]=2 284 B14R1.26 OCCCCNCc1cccc(c1)Br CSC000185689 [0,2,0,0,0,0|0,0,0]=2 285 B14R1.26 OCCCCNCc1cccc(c1)Cl CSC011695067 [0,2,0,0,0,0|0,0,0]=2 286 B14R1.26 OCCCCNCc1cccc(c1)Cl CSC011695067 [0,2,0,0,0,0|0,0,0]=2 287 B14R1.34 CCCCN(C)Cc1cccc(c1)Br CSC000174687 [0,2,0,0,0,0|2,0,0]=4 288 B14R1.34 OCCNC(=O)Cc1cccc(c1)F CSC000159007 [0,2,0,0,0,0|1,0,1]=4 289 B14R1.148 CC(C)CCNCc1cccc(c1)Br CSC000196079 [0,2,0,0,0,0|2,0,0]=4 290 B14R1.148 CC(C)CCNCc1cccc(c1)Cl CSC000196081 [0,2,0,0,0,0|2,0,0]=4 291 B14R1.148 CC(C)CNCCc1cccc(c1)Cl CSC000202866 [0,2,0,0,0,0|2,0,0]=4 292 B14R1.148 CC(C)NCCCc1cccc(c1)Cl CSC011691588 [0,2,0,0,0,0|2,0,0]=4 293 B14R1.148 OC(=O)CCNCc1cccc(c1)Br CSC011260741 [0,2,0,0,0,0|1,0,1]=4 294 B14R1.218 CCCCNCc1cc(ccc1F)Cl CSC011388460 [0,2,0,0,0,0|2,0,0]=4 295 B14R1.218 OCCCNCc1cc(ccc1Br)F CSC011304099 [0,2,0,0,0,0|1,0,0]=3 296 B14R1.228 CCCCCOc1cccc(c1)C#N CSC011213595 [0,2,0,0,0,0|2,0,0]=4 297 B14R1.228 CCCCCOc1cccc(c1)CO CSC011232717 [0,2,0,0,0,0|2,0,0]=4 298 B14R1.228 CCCCNCc1cccc(c1)OC CSC000196037 [0,2,0,0,0,0|2,0,0]=4 299 B14R1.228 COc1cccc(c1)CNCCCO CSC000195999 [0,2,0,0,0,0|1,0,0]=3 300 B14R1.228 COc1cccc(c1)SCCCCO CSC011305948 [0,2,0,0,0,0|1,0,0]=3 301 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Cl CSC000196035 [0,2,0,0,0,0|2,0,0]=4 302 B14R1.232 OCCCNCc1ccc(c(c1)Cl)Cl CSC000195997 [0,2,0,0,0,0|1,0,0]=3 303 B14R1.1025 OCC(O)CSCc1cccc(c1)F CSC012622873 [0,2,0,0,0,0|1,0,0]=3 304 B14R1.13 OCC(O)CSCc1ccc(cc1)F CSC012622934 [0,2,0,0,0,0|1,0,0]=3 305 B14R1.14 CCCCCCNc1ccc(cn1)Br CSC012024032 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.14 CCCCCNCc1ccc(cc1)Br CSC000187424 [0,2,0,0,0,0|1,0,0]=3 307 B14R1.14 CCCCCNCc1ccc(cc1)C CSC000180836 [0,2,0,0,0,0|1,0,0]=3 308 B14R1.14 CCNCCNCc1ccc(cc1)Br CSC013333598 [0,2,0,0,0,0|2,0,0]=4 309 B14R1.14 CCNCCNCc1ccc(cc1)Cl CSC013333462 [0,2,0,0,0,0|2,0,0]=4 310 B14R1.14 CNCCCNCc1ccc(cc1)Br CSC000215875 [0,2,0,0,0,0|2,0,0]=4 311 B14R1.14 CNCCCNCc1ccc(cc1)C CSC000215873 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.14 CNCCCNCc1ccc(cc1)Cl CSC000215874 [0,2,0,0,0,0|2,0,0]=4 313 B14R1.14 CNCCCNCc1ccc(cc1)F CSC000215881 [0,2,0,0,0,0|2,0,0]=4 314 B14R1.14 COCCCNCc1ccc(cc1)Br CSC000195960 [0,2,0,0,0,0|1,0,0]=3 315 B14R1.14 COCCCNCc1ccc(cc1)C CSC000195969 [0,2,0,0,0,0|1,0,0]=3 316 B14R1.14 COCCCNCc1ccc(cc1)Cl CSC000195961 [0,2,0,0,0,0|1,0,0]=3 317 B14R1.14 COCCCNCc1ccc(cc1)F CSC000195963 [0,2,0,0,0,0|1,0,0]=3 318 B14R1.14 CSCCCNCc1ccc(cc1)Br CSC011234856 [0,2,0,0,0,0|1,1,0]=4 319 B14R1.14 Cc1ccc(cc1)CNCCCCO CSC000186799 [0,2,0,0,0,0|0,0,0]=2 320 B14R1.14 Cc1ccc(cc1)SCCCCCO CSC011629541 [0,2,0,0,0,0|0,0,0]=2 321 B14R1.14 OCCCCCSc1ccc(cc1)Br CSC011629526 [0,2,0,0,0,0|0,0,0]=2 322 B14R1.14 OCCCCCSc1ccc(cc1)Cl CSC011629533 [0,2,0,0,0,0|0,0,0]=2 323 B14R1.14 OCCCCNCc1ccc(cc1)Cl CSC000187225 [0,2,0,0,0,0|0,0,0]=2 324 B14R1.14 OCCCCNCc1ccc(cc1)Cl CSC000187225 [0,2,0,0,0,0|0,0,0]=2 325 B14R1.14 OCCCCNCc1ccc(cc1)F CSC000180820 [0,2,0,0,0,0|0,0,0]=2 326 B14R1.19 Cc1ccc(cc1)C(=O)NCCCO CSC000191957 [0,2,0,0,0,0|1,0,1]=4 327 B14R1.19 OCCCNC(=O)c1ccc(cc1)Cl CSC000191942 [0,2,0,0,0,0|1,0,1]=4 328 B14R1.19 OCCCNC(=O)c1ccc(cc1)F CSC000191940 [0,2,0,0,0,0|1,0,1]=4 329 B14R1.33 CC(Cc1ccc(cc1)Br)NCCN CSC014371365 [0,2,0,0,0,0|2,0,0]=4 330 B14R1.33 CC(Cc1ccc(cc1)Cl)NCCN CSC014371364 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.33 CCCCN(C)Cc1ccc(cc1)C CSC048839791 [0,2,0,0,0,0|2,0,0]=4 332 B14R1.33 CCCCN(C)Cc1ccc(cc1)Cl CSC047386685 [0,2,0,0,0,0|2,0,0]=4 333 B14R1.33 CCCNC(C)Cc1ccc(cc1)Br CSC011335350 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.33 CCCNC(C)Cc1ccc(cc1)Cl CSC011334621 [0,2,0,0,0,0|2,0,0]=4 335 B14R1.502 CN(CCN)CCc1ccc(cc1)Br CSC013117004 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.677 CC(C)CCNCc1ccc(cc1)Br CSC000196075 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.677 CC(C)CCNCc1ccc(cc1)C CSC000196084 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.677 CC(C)CCNCc1ccc(cc1)Cl CSC000196076 [0,2,0,0,0,0|2,0,0]=4 339 B14R1.677 CC(C)CCNCc1ccc(cc1)F CSC000196078 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.677 CC(C)NCCCc1ccc(cc1)Cl CSC011691587 [0,2,0,0,0,0|2,0,0]=4 341 B14R1.677 CC(O)CNCCc1ccc(cc1)Cl CSC011466656 [0,2,0,0,0,0|1,0,0]=3 342 B14R1.677 OC(=O)CCNCc1ccc(cc1)Br CSC011244181 [0,2,0,0,0,0|1,0,1]=4 343 B14R1.677 OC(=O)CCNCc1ccc(cc1)Br CSC011244181 [0,2,0,0,0,0|1,0,1]=4 344 B14R1.774 CCCCNCc1ccc(cc1Cl)Cl CSC000200683 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.774 CCCCNCc1ccc(cc1Cl)F CSC000224954 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.774 CCCCNCc1ccc(cc1F)Cl CSC011388475 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.774 OCCCNCc1ccc(cc1Br)F CSC011199841 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.774 OCCCNCc1ccc(cc1Cl)Cl CSC000188750 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.774 OCCCNCc1ccc(cc1Cl)Cl CSC000188750 [0,2,0,0,0,0|1,0,0]=3 350 B14R1.774 OCCCNCc1ccc(cc1Cl)F CSC000224895 [0,2,0,0,0,0|1,0,0]=3 351 B14R1.774 OCCCNCc1ccc(cc1F)Br CSC000196017 [0,2,0,0,0,0|1,0,0]=3 352 B14R1.776 CCCCCOc1ccc(cc1)C#N CSC000188593 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.776 CCCCCOc1ccc(cc1)CO CSC011215813 [0,2,0,0,0,0|2,0,0]=4 354 B14R1.776 CCCCNCc1ccc(cc1)CC CSC000196051 [0,2,0,0,0,0|2,0,0]=4 355 B14R1.776 CCCCNCc1ccc(cc1)OC CSC000196026 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.776 CCCCNCc1ccc(cc1)SC CSC000188288 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.776 CCc1ccc(cc1)CNCCCO CSC000180848 [0,2,0,0,0,0|1,0,0]=3 358 B14R1.776 COc1ccc(cc1)CNCCCO CSC000195994 [0,2,0,0,0,0|1,0,0]=3 359 B14R1.776 COc1ccc(cc1)SCCCCO CSC011305957 [0,2,0,0,0,0|1,0,0]=3 360 B14R1.776 CSc1ccc(cc1)CNCCCO CSC000196001 [0,2,0,0,0,0|1,0,0]=3 361 B14R1.38 CC(CNCCCO)c1ccccc1 CSC000200633 [0,2,0,0,0,0|0,0,0]=2 362 B14R1.38 CCCCCNC(=O)c1ccccc1 CSC000157989 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.38 CCCCCOC(=O)c1ccccc1 CSC000034777 [0,2,0,0,0,0|1,0,1]=4 364 B14R1.38 CCCCNCC(C)c1ccccc1 CSC000200694 [0,2,0,0,0,0|1,0,0]=3 365 B14R1.38 CCCCSCC(=O)c1ccccc1 CSC011343552 [0,2,0,0,0,0|1,0,1]=4 366 B14R1.38 COCCCNC(=O)c1ccccc1 CSC000159240 [0,2,0,0,0,0|1,0,1]=4 367 B14R1.38 COCCCNC(C)c1ccccn1 CSC000713554 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.38 COCCCNC(C)c1ccncc1 CSC000713555 [0,2,0,0,0,0|2,0,0]=4 369 B14R1.38 COCCNCC(C)c1ccccc1 CSC000200147 [0,2,0,0,0,0|1,0,0]=3 370 B14R1.163 CCC(C)NCC(C)c1ccccc1 CSC000199881 [0,2,0,0,0,0|2,0,0]=4 371 B14R1.420 CC(C)CNCC(C)c1ccccc1 CSC000201417 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.1035 Cc1ccccc1C(=O)NCCCO CSC000191970 [0,2,0,0,0,0|1,0,1]=4 373 B14R1.1035 OCCCNC(=O)c1ccccc1F CSC000192019 [0,2,0,0,0,0|1,0,1]=4 374 B14R1.123 C=CCSCCNCc1ccccc1 CSC011856988 [0,2,0,0,0,0|1,0,1]=4 375 B14R1.123 CCCCCCNCc1ccccc1 CSC000180837 [0,2,0,0,0,0|1,0,0]=3 376 B14R1.123 CCCCCCNCc1ccccn1 CSC000201042 [0,2,0,0,0,0|2,0,0]=4 377 B14R1.123 CCCCCCNCc1cccnc1 CSC000188754 [0,2,0,0,0,0|2,0,0]=4 378 B14R1.123 CCCCCCNCc1ccncc1 CSC000189091 [0,2,0,0,0,0|2,0,0]=4 379 B14R1.123 CCCNCCNCc1ccccc1 CSC011556071 [0,2,0,0,0,0|1,0,0]=3 380 B14R1.123 CCOCCCNCc1ccccc1 CSC000180825 [0,2,0,0,0,0|1,0,0]=3 381 B14R1.123 CCOCCCNCc1ccccn1 CSC000201918 [0,2,0,0,0,0|2,0,0]=4 382 B14R1.123 CCOCCCNCc1cccnc1 CSC000180865 [0,2,0,0,0,0|2,0,0]=4 383 B14R1.123 CCOCCCNCc1ccncc1 CSC000186880 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.123 NCCCCCCNc1ccccn1 CSC012183157 [0,2,0,0,0,0|2,0,0]=4 385 B14R1.123 OCCCCCNCc1ccccc1 CSC011629535 [0,2,0,0,0,0|0,0,0]=2 386 B14R1.123 OCCCCCNCc1ccccn1 CSC011629631 [0,2,0,0,0,0|1,0,0]=3 387 B14R1.123 OCCCCCNCc1cccnc1 CSC011629657 [0,2,0,0,0,0|1,0,0]=3 388 B14R1.123 OCCCCCNCc1ccncc1 CSC011629658 [0,2,0,0,0,0|1,0,0]=3 389 B14R1.123 OCCOCCNCc1ccccc1 CSC000180863 [0,2,0,0,0,0|0,0,0]=2 390 B14R1.156 CCCCC(=O)OCc1ccccc1 CSC000000752 [0,2,0,0,0,0|1,0,1]=4 391 B14R1.156 CCCNC(=O)CCc1ccccc1 CSC000161725 [0,2,0,0,0,0|1,0,1]=4 392 B14R1.156 CCOCC(O)CNc1ccccc1 CSC011952880 [0,2,0,0,0,0|2,0,0]=4 393 B14R1.156 OCCNC(=O)COc1ccccc1 CSC000158911 [0,2,0,0,0,0|1,0,1]=4 394 B14R1.158 CCCCCC(=O)Oc1ccccc1 CSC000001948 [0,2,0,0,0,0|1,0,1]=4 395 B14R1.158 CNCCCN(C)Cc1ccccc1 CSC000233375 [0,2,0,0,0,0|2,0,0]=4 396 B14R1.158 OCCSCC(=O)Nc1ccccc1 CSC000186125 [0,2,0,0,0,0|1,0,1]=4 397 B14R1.422 CC(=O)NCCCCc1ccccc1 CSC000022860 [0,2,0,0,0,0|0,0,2]=4 398 B14R1.422 CC(C)CNCCSc1ccccc1 CSC000203600 [0,2,0,0,0,0|2,0,0]=4 399 B14R1.520 CCOC(=O)CCCc1ccccc1 CSC011295114 [0,2,0,0,0,0|1,0,1]=4 400 B14R1.520 CN(CCN)CCSc1ccccc1 CSC011729154 [0,2,0,0,0,0|2,0,0]=4 401 B14R1.520 CN(CCO)CCOc1ccccc1 CSC000224397 [0,2,0,0,0,0|1,0,0]=3 402 B14R1.520 NCCC(=O)NCCc1ccccc1 CSC011195640 [0,2,0,0,0,0|1,0,1]=4 403 B14R1.716 CCC(=O)OCCCc1ccccc1 CSC000006338 [0,2,0,0,0,0|1,0,1]=4 404 B14R1.716 COC(=O)CCCOc1ccccc1 CSC000148025 [0,2,0,0,0,0|1,0,1]=4 405 B14R1.716 COC(=O)CCOCc1ccccc1 CSC011246440 [0,2,0,0,0,0|1,0,1]=4 406 B14R1.716 COC(=O)CCSCc1ccccc1 CSC000172166 [0,2,0,0,0,0|1,0,1]=4 407 B14R1.882 CCCCCNCc1ccccc1C CSC000215855 [0,2,0,0,0,0|1,0,0]=3 408 B14R1.882 CCCCCNCc1ccccc1Cl CSC000215852 [0,2,0,0,0,0|1,0,0]=3 409 B14R1.882 CCCCCNCc1ccccc1F CSC000186676 [0,2,0,0,0,0|1,0,0]=3 410 B14R1.882 CCNCCNCc1ccccc1Br CSC013333624 [0,2,0,0,0,0|2,0,0]=4 411 B14R1.882 CCNCCNCc1ccccc1Cl CSC013333531 [0,2,0,0,0,0|2,0,0]=4 412 B14R1.882 CNCCCNCc1ccccc1C CSC000215869 [0,2,0,0,0,0|2,0,0]=4 413 B14R1.882 CNCCCNCc1ccccc1Cl CSC000215864 [0,2,0,0,0,0|2,0,0]=4 414 B14R1.882 CNCCCNCc1ccccc1F CSC000215868 [0,2,0,0,0,0|2,0,0]=4 415 B14R1.882 COCCCNCc1ccccc1C CSC000195968 [0,2,0,0,0,0|1,0,0]=3 416 B14R1.882 COCCCNCc1ccccc1Cl CSC000195959 [0,2,0,0,0,0|1,0,0]=3 417 B14R1.882 COCCCNCc1ccccc1F CSC000195972 [0,2,0,0,0,0|1,0,0]=3 418 B14R1.882 Cc1ccccc1CNCCCCO CSC011521321 [0,2,0,0,0,0|0,0,0]=2 419 B14R1.882 Cc1ccccc1SCCCCCO CSC011629570 [0,2,0,0,0,0|0,0,0]=2 420 B14R1.882 OCCCCCSc1ccccc1Br CSC011629523 [0,2,0,0,0,0|0,0,0]=2 421 B14R1.882 OCCCCCSc1ccccc1Cl CSC011629547 [0,2,0,0,0,0|0,0,0]=2 422 B14R1.882 OCCCCCSc1ncccc1Br CSC012061649 [0,2,0,0,0,0|1,0,0]=3 423 B14R1.882 OCCCCNCc1ccccc1Br CSC011521365 [0,2,0,0,0,0|0,0,0]=2 424 B14R1.882 OCCCCNCc1ccccc1Cl CSC011521186 [0,2,0,0,0,0|0,0,0]=2 425 B14R1.882 OCCCCNCc1ccccc1Cl CSC011521186 [0,2,0,0,0,0|0,0,0]=2 426 B14R1.882 OCCCCNCc1ccccc1F CSC011203792 [0,2,0,0,0,0|0,0,0]=2 427 B14R1.423 CN(CCC(=O)O)Cc1ccccc1 CSC046228514 [0,2,0,0,0,0|1,0,1]=4 428 B14R1.467 CCN(CCCN)Cc1ccccc1 CSC011249954 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.946 CCCCN(C)Cc1ccccc1Br CSC000174686 [0,2,0,0,0,0|2,0,0]=4 430 B14R1.946 CCCCN(C)Cc1ccccc1Cl CSC033590047 [0,2,0,0,0,0|2,0,0]=4 431 B14R1.946 CCCCN(C)Cc1ccccc1F CSC046992606 [0,2,0,0,0,0|2,0,0]=4 432 B14R1.946 Cc1ccccc1CC(=O)NCCO CSC000175695 [0,2,0,0,0,0|1,0,1]=4 433 B14R1.4528 CCCCS(=O)(=O)Cc1ccccc1 CSC000047421 [0,2,0,0,0,0|2,0,0]=4 434 B14R1.159 CC(C)CCNCc1ccccc1C CSC000196083 [0,2,0,0,0,0|2,0,0]=4 435 B14R1.159 CC(C)CCNCc1ccccc1Cl CSC000196074 [0,2,0,0,0,0|2,0,0]=4 436 B14R1.159 CC(C)CCNCc1ccccc1F CSC000196087 [0,2,0,0,0,0|2,0,0]=4 437 B14R1.159 CC(C)CNCCc1ccccc1Cl CSC011388445 [0,2,0,0,0,0|2,0,0]=4 438 B14R1.159 OC(=O)CCNCc1ccccc1Br CSC011260694 [0,2,0,0,0,0|1,0,1]=4 439 B14R1.3331 FC(F)(F)CCNCc1ccccc1 CSC000224181 [0,2,0,0,0,0|2,0,0]=4 440 B14R1.476 CCCCCOc1ccccc1C#N CSC011213598 [0,2,0,0,0,0|2,0,0]=4 441 B14R1.476 CCCCCOc1ccccc1CO CSC011232763 [0,2,0,0,0,0|2,0,0]=4 442 B14R1.476 CCCCNCc1ccccc1OC CSC000196047 [0,2,0,0,0,0|2,0,0]=4 443 B14R1.476 COc1ccccc1SCCCCO CSC011448453 [0,2,0,0,0,0|1,0,0]=3 444 B14R1.837 CCS(=O)CCCc1ccccc1Br CSC027526433 [0,2,0,0,0,0|2,0,0]=4 445 B14R1.837 OCC(O)CSCc1ccccc1Cl CSC012623069 [0,2,0,0,0,0|1,0,0]=3 446 B14R1.20339 CCCCNCc1c(cccc1Cl)Cl CSC000196040 [0,2,0,0,0,0|2,0,0]=4 447 B14R1.20339 CCCCNCc1c(cccc1Cl)F CSC000196032 [0,2,0,0,0,0|2,0,0]=4 448 B14R1.20339 OCCCNCc1c(cccc1Cl)Cl CSC000186516 [0,2,0,0,0,0|1,0,0]=3 449 B14R1.20339 OCCCNCc1c(cccc1Cl)F CSC000187020 [0,2,0,0,0,0|1,0,0]=3 450 B14R1.20339 OCCCNCc1c(cccc1Cl)F CSC000187020 [0,2,0,0,0,0|1,0,0]=3 451 B14R1.292 NCC(F)(F)CNCc1ccccc1 CSC015161627 [0,2,0,0,0,0|2,0,0]=4 452 B14R1.546 CCC(CC)NCCc1ccccc1 CSC000201710 [0,2,0,0,0,0|2,0,0]=4 453 B12R2.2057 C(NC1CC1)c2ccccc2 CSC000196367 [1,0,0,1,0,0|1,0,0]=3 454 B12R2.2057 C(Nc1ccccc1)C2CC2 CSC011316272 [1,0,0,1,0,0|1,0,0]=3 455 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [1,0,0,1,0,0|1,0,0]=3 456 B14R2.268 CC1CC1NCc2cccc(c2)Br CSC011669061 [0,1,0,1,0,0|2,0,0]=4 457 B14R2.467 NCCN1CCc2c1ccc(c2)Br CSC010969869 [0,1,0,1,0,0|2,0,0]=4 458 B14R2.716 Cc1cccc(c1)CN2CCCC2 CSC000209217 [0,1,0,1,0,0|2,0,0]=4 459 B14R2.716 Clc1cccc(c1)CN2CCCC2 CSC000174537 [0,1,0,1,0,0|2,0,0]=4 460 B14R2.716 Fc1cccc(c1)CN2CCCC2 CSC000174577 [0,1,0,1,0,0|2,0,0]=4 461 B14R2.716 Ic1cccc(c1)CN2CCCC2 CSC000049980 [0,1,0,1,0,0|2,0,0]=4 462 B14R2.716 Nc1cccc(c1)CN2CCCC2 CSC000738244 [0,1,0,1,0,0|2,0,0]=4 463 B14R2.716 Oc1cccc(c1)CN2CCCC2 CSC011276313 [0,1,0,1,0,0|2,0,0]=4 464 B14R2.72 Cc1ccc(cc1)CN2CCCC2 CSC000174551 [0,1,0,1,0,0|2,0,0]=4 465 B14R2.72 Clc1ccc(cc1)CN2CCCC2 CSC000174531 [0,1,0,1,0,0|2,0,0]=4 466 B14R2.72 Fc1ccc(cc1)CN2CCCC2 CSC000174541 [0,1,0,1,0,0|2,0,0]=4 467 B14R2.72 Ic1ccc(cc1)CN2CCCC2 CSC011356908 [0,1,0,1,0,0|2,0,0]=4 468 B14R2.953 CC1CC1NCc2ccc(cc2)Br CSC011669057 [0,1,0,1,0,0|2,0,0]=4 469 B14R2.6419 NCCN1CCc2c1cc(cc2)Br CSC010726055 [0,1,0,1,0,0|2,0,0]=4 470 B14R2.3 CCCCN1CCc2c1cccc2 CSC000020999 [0,1,0,1,0,0|1,0,0]=3 471 B14R2.3 CCCNC1CCc2c1cccc2 CSC000737437 [0,1,0,1,0,0|1,0,0]=3 472 B14R2.3 NCCCN1CCc2c1cccc2 CSC011191709 [0,1,0,1,0,0|1,0,0]=3 473 B14R2.6 C(N1CCCCC1)c2ccccn2 CSC011192083 [0,1,0,1,0,0|2,0,0]=4 474 B14R2.6 C(N1CCCCC1)c2cccnc2 CSC011210942 [0,1,0,1,0,0|2,0,0]=4 475 B14R2.6 C(N1CCSCC1)c2ccccc2 CSC000048198 [0,1,0,1,0,0|2,0,0]=4 476 B14R2.14 CCN1CCCC1c2cccnc2 CSC025761708 [0,1,0,1,0,0|2,0,0]=4 477 B14R2.24 CC1CCCCN1c2ccccn2 CSC000002623 [0,1,0,1,0,0|2,0,0]=4 478 B14R2.101 C(Cc1ccccn1)N2CCCC2 CSC000177514 [0,1,0,1,0,0|2,0,0]=4 479 B14R2.101 C(Cc1ccncc1)N2CCCC2 CSC000177511 [0,1,0,1,0,0|2,0,0]=4 480 B14R2.101 C(NC1CCCC1)c2ccccn2 CSC000200739 [0,1,0,1,0,0|2,0,0]=4 481 B14R2.101 C(NC1CCCC1)c2cccnc2 CSC000187007 [0,1,0,1,0,0|2,0,0]=4 482 B14R2.101 C(NC1CCCC1)c2ccncc2 CSC000187006 [0,1,0,1,0,0|2,0,0]=4 483 B14R2.101 C(NC1CCOC1)c2ccccc2 CSC011846763 [0,1,0,1,0,0|1,0,0]=3 484 B14R2.101 C(Nc1ncccn1)C2CCCO2 CSC000156269 [0,1,0,1,0,0|2,0,0]=4 485 B14R2.101 C(Oc1ccccc1)C2OCCO2 CSC000084056 [0,1,0,1,0,0|1,0,0]=3 486 B14R2.7150 CCCN1CCCc2c1cccc2 CSC015264897 [0,1,0,1,0,0|1,0,0]=3 487 B14R2.7150 OCCN1CCOc2c1cccc2 CSC000070135 [0,1,0,1,0,0|1,0,0]=3 488 B14R2.112 NCCN1CCc2ccccc2C1 CSC000246800 [0,1,0,1,0,0|2,0,0]=4 489 B14R2.19 O[C@H]1CCN(C1)Cc2ccccc2 CSC011474267 [0,1,0,1,0,0|1,0,0]=3 490 B14R2.67 CCCCN1Cc2ccccc2C1 CSC015379796 [0,1,0,1,0,0|2,0,0]=4 491 B14R2.67 CCCNC1Cc2ccccc2C1 CSC000714246 [0,1,0,1,0,0|2,0,0]=4 492 B14R2.67 NCCCN1Cc2ccccc2C1 CSC000217548 [0,1,0,1,0,0|2,0,0]=4 493 B14R2.2 OC(=O)CN1CCc2c1cccc2 CSC011192162 [0,1,0,1,0,0|1,0,1]=4 494 B14R2.2 OC(=O)CN1CCc2c1cccc2 CSC011192162 [0,1,0,1,0,0|1,0,1]=4 495 B14R2.50 Brc1ccccc1CN2CCCC2 CSC000174588 [0,1,0,1,0,0|2,0,0]=4 496 B14R2.50 Cc1ccccc1CN2CCCC2 CSC000174587 [0,1,0,1,0,0|2,0,0]=4 497 B14R2.50 Cc1ccccc1NC2CCCC2 CSC011232007 [0,1,0,1,0,0|2,0,0]=4 498 B14R2.50 Clc1ccccc1CN2CCCC2 CSC000174538 [0,1,0,1,0,0|2,0,0]=4 499 B14R2.50 Fc1ccccc1CN2CCCC2 CSC000174529 [0,1,0,1,0,0|2,0,0]=4 500 B14R2.143 CCN1CCCc2ccccc2C1 CSC015951263 [0,1,0,1,0,0|2,0,0]=4 501 B14R2.294 CC1CC1NCc2ccccc2Br CSC011669195 [0,1,0,1,0,0|2,0,0]=4 502 B14R2.95 OCC(=O)N1CCc2c1cccc2 CSC000749168 [0,1,0,1,0,0|1,0,1]=4 503 B10R1.21 CCCNCc1cccs1 CSC000186944 [1,0,0,0,1,0|2,0,0]=4 504 B10R1.21 CCCNCc1ccsc1 CSC000201670 [1,0,0,0,1,0|2,0,0]=4 505 B10R1.21 OCCNCc1ccco1 CSC000200452 [1,0,0,0,1,0|2,0,0]=4 506 B10R1.21 OCCNCc1cccs1 CSC000200436 [1,0,0,0,1,0|2,0,0]=4