0 B12R1.28 CCCCNc1cccc(c1)C CSC000219676 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.28 CCCCOc1cccc(c1)Br CSC011212284 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.28 CCCNCc1cccc(c1)Br CSC000187640 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.28 CCCNCc1cccc(c1)C CSC000196480 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.28 CCCNCc1cccc(c1)Cl CSC000196467 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.28 CCCNCc1cccc(c1)F CSC000196477 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.28 COCCSc1cccc(c1)Br CSC009815756 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.28 COCCSc1cccc(c1)C CSC000055748 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.28 Cc1cccc(c1)CSCCO CSC011212950 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.28 Cc1cccc(c1)SCCCO CSC011432191 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.28 OCCCSc1cccc(c1)Br CSC011756144 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.28 OCCCSc1cccc(c1)Cl CSC011721771 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.28 OCCNCc1cccc(c1)Br CSC000187539 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.28 OCCSCc1cccc(c1)Cl CSC011212903 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.28 OCCSCc1cccc(c1)F CSC011212928 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.28 CCCCNc1ccccn1 CSC000156416 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.28 CCCCSc1ncccn1 CSC000002571 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.28 CCCNCc1ccccn1 CSC000201641 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.28 CCCNCc1ccncc1 CSC000180873 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,0,0,0,0,0|3,0,0]=4 34 B11R1.28 COCCSc1ccccn1 CSC000024487 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.28 OCCNCc1ccccn1 CSC000200435 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.6 CCCCNCc1cccc(c1)Br CSC000196034 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.6 CCCCNCc1cccc(c1)C CSC000196050 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.6 CCCCNCc1cccc(c1)Cl CSC000188330 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.6 CCOCCOc1cccc(c1)Br CSC000170000 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.6 CNCCNCc1cccc(c1)Br CSC013333450 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.6 CNCCSCc1cccc(c1)Cl CSC019541928 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.6 COCCNCc1cccc(c1)Br CSC000195707 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.6 COCCNCc1cccc(c1)C CSC000195726 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.6 COCCNCc1cccc(c1)Cl CSC000195710 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.6 COCCNCc1cccc(c1)O CSC000195722 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.6 Cc1cccc(c1)CNCCCO CSC000196006 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.6 Cc1cccc(c1)SCCCCO CSC011432189 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.6 NCCCNCc1cccc(c1)F CSC011367676 [0,1,0,0,0,0|3,0,0]=4 54 B13R1.6 OCCCCSc1cccc(c1)Br CSC011756142 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.6 OCCCCSc1cccc(c1)Cl CSC011721769 [0,1,0,0,0,0|3,0,0]=4 56 B13R1.6 OCCCNCc1cccc(c1)Br CSC000186904 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.6 OCCCNCc1cccc(c1)Br CSC000186904 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.15 CCC(C)NCc1cccc(c1)Br CSC000187015 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.15 CCC(C)NCc1cccc(c1)C CSC000223451 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.15 CCC(C)NCc1cccc(c1)Cl CSC000215858 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.16 CCCCOc1cccc(c1F)F CSC000041136 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.16 CCCNCc1cccc(c1Cl)Cl CSC000201653 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.55 CCCCOc1cc(cc(c1)F)F CSC009884381 [0,1,0,0,0,0|3,0,0]=4 64 B13R1.149 CC(C)CNCc1cccc(c1)Br CSC000186988 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.149 CC(C)CNCc1cccc(c1)Cl CSC000196289 [0,1,0,0,0,0|3,0,0]=4 66 B13R1.149 CC(O)CNCc1cccc(c1)Br CSC000189066 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.149 CC(O)CNCc1cccc(c1)Br CSC000189066 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.149 CC(O)CNCc1cccc(c1)Cl CSC000189391 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.656 CCCNCc1cc(ccc1Br)F CSC011233191 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.656 CCCNCc1cc(ccc1F)Cl CSC011269147 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.666 CCCCOc1cccc(c1)CO CSC011232712 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.666 CCCNCc1cccc(c1)OC CSC000196470 [0,1,0,0,0,0|2,0,1]=4 73 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl CSC000196464 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.5331 Brc1cccc(c1)CNC2CC2 CSC000196381 [0,0,0,1,0,0|3,0,0]=4 75 B13R2.5331 Brc1cccc(c1)OCC2CC2 CSC011316337 [0,0,0,1,0,0|3,0,0]=4 76 B13R2.5331 Clc1cccc(c1)CNC2CC2 CSC000189301 [0,0,0,1,0,0|3,0,0]=4 77 B11R1.27 CCCNCc1ccc(o1)Br CSC000201683 [0,0,0,0,1,0|2,0,0]=3 78 B11R1.27 CCCNCc1ccc(o1)C CSC000201666 [0,0,0,0,1,0|2,0,0]=3 79 B11R1.27 CCCNCc1ccc(s1)C CSC000186950 [0,0,0,0,1,0|2,1,0]=4 80 B11R1.27 Cc1ccc(o1)CNCCO CSC000186668 [0,0,0,0,1,0|3,0,0]=4 81 B11R1.27 OCCNCc1ccc(o1)Br CSC000200515 [0,0,0,0,1,0|3,0,0]=4 82 B11R1.180 CCCNCc1cccn1C CSC000215833 [0,0,0,0,1,0|3,0,0]=4 83 B11R1.180 CCCNCc1sccc1C CSC000189075 [0,0,0,0,1,0|3,0,0]=4 84 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [1,0,1,0,0,0|1,0,1]=4 85 B10R1.17 CCCSc1ccccc1 CSC000005822 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.17 CCCSc1ccccn1 CSC000006455 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.17 CCSCc1ccccc1 CSC000006444 [2,0,0,0,0,0|2,0,0]=4 88 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.1 CCCCSc1ccc(cc1)C CSC000015701 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.1 CCCNCc1ccc(cc1)Br CSC000186942 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.1 CCCNCc1ccc(cc1)C CSC000186941 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.8 CCCCCSc1ccccc1 CSC000048317 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.8 CCCCNCc1ccccn1 CSC000200672 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.8 CCCCNCc1cccnc1 CSC000200674 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.8 CCCCNCc1ccncc1 CSC000200698 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.8 CCOCCSc1ccccn1 CSC000006452 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.8 OCCCNCc1ccccn1 CSC000200612 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.27 CCC(N)CNc1ccccn1 CSC011915201 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.252 CC(C)CNCc1ccccn1 CSC000200742 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.252 CC(C)NCCc1ccccc1 CSC000200190 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.267 CCCCOc1ccccc1C CSC011212280 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.267 CCCNCc1ccccc1C CSC000196471 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.267 CCCNCc1ccccc1Cl CSC000196458 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.7 CCCCNCc1ccc(o1)Br CSC000200717 [0,1,0,0,1,0|1,0,0]=3 116 B12R1.7 CCCCNCc1ccc(o1)C CSC000200697 [0,1,0,0,1,0|1,0,0]=3 117 B12R1.7 CCCCNCc1ccc(s1)C CSC000200708 [0,1,0,0,1,0|1,1,0]=4 118 B12R1.7 CCCCNCc1ccc(s1)Cl CSC000224965 [0,1,0,0,1,0|1,1,0]=4 119 B12R1.7 COCCNCc1ccc(o1)Br CSC000200170 [0,1,0,0,1,0|2,0,0]=4 120 B12R1.7 Cc1ccc(o1)CNCCCO CSC000200636 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.7 OCCCNCc1ccc(o1)Br CSC000200652 [0,1,0,0,1,0|2,0,0]=4 122 B12R1.26 CCC(C)NCc1ccc(o1)Br CSC000199901 [0,1,0,0,1,0|2,0,0]=4 123 B12R1.26 CCC(C)NCc1ccc(o1)C CSC000199884 [0,1,0,0,1,0|2,0,0]=4 124 B12R1.105 CC(C)CNCc1ccc(o1)C CSC000201420 [0,1,0,0,1,0|2,0,0]=4 125 B12R1.105 CC(O)CNCc1ccc(o1)C CSC000202040 [0,1,0,0,1,0|2,0,0]=4 126 B12R1.372 CCCCNCc1cccn1C CSC000215829 [0,1,0,0,1,0|2,0,0]=4 127 B12R1.372 CCCCNCc1sccc1Br CSC011541509 [0,1,0,0,1,0|2,0,0]=4 128 B12R1.372 CCCCNCc1sccc1C CSC000200699 [0,1,0,0,1,0|2,0,0]=4 129 B14R1.9 CCCCNCc1cccc(c1Cl)Cl CSC000188287 [0,2,0,0,0,0|2,0,0]=4 130 B14R1.26 CCCCCNCc1cccc(c1)Br CSC000189090 [0,2,0,0,0,0|2,0,0]=4 131 B14R1.26 CCCCCNCc1cccc(c1)C CSC000223526 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.26 CCCCCNCc1cccc(c1)Cl CSC000215853 [0,2,0,0,0,0|2,0,0]=4 133 B14R1.26 CCNCCNCc1cccc(c1)Br CSC013333680 [0,2,0,0,0,0|2,0,0]=4 134 B14R1.26 CCNCCNCc1cccc(c1)Cl CSC013333529 [0,2,0,0,0,0|2,0,0]=4 135 B14R1.26 CNCCCNCc1cccc(c1)Br CSC000215894 [0,2,0,0,0,0|2,0,0]=4 136 B14R1.26 CNCCCNCc1cccc(c1)C CSC013339258 [0,2,0,0,0,0|2,0,0]=4 137 B14R1.26 CNCCCNCc1cccc(c1)Cl CSC000215865 [0,2,0,0,0,0|2,0,0]=4 138 B14R1.26 COCCCNCc1cccc(c1)C CSC000195977 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.26 COCCCNCc1cccc(c1)Cl CSC000195966 [0,2,0,0,0,0|2,0,0]=4 140 B14R1.26 COCCCNCc1cccc(c1)Cl CSC000195966 [0,2,0,0,0,0|2,0,0]=4 141 B14R1.26 CSCCCNCc1cccc(c1)Br CSC011472972 [0,2,0,0,0,0|2,0,0]=4 142 B14R1.26 CSCCCNCc1cccc(c1)Cl CSC000207733 [0,2,0,0,0,0|2,0,0]=4 143 B14R1.26 Cc1cccc(c1)CNCCCCO CSC011521322 [0,2,0,0,0,0|2,0,0]=4 144 B14R1.26 Cc1cccc(c1)SCCCCCO CSC011629577 [0,2,0,0,0,0|2,0,0]=4 145 B14R1.26 OCCCCCSc1cccc(c1)Br CSC011756140 [0,2,0,0,0,0|2,0,0]=4 146 B14R1.26 OCCCCCSc1cccc(c1)Cl CSC011721767 [0,2,0,0,0,0|2,0,0]=4 147 B14R1.26 OCCCCNCc1cccc(c1)Br CSC000185689 [0,2,0,0,0,0|2,0,0]=4 148 B14R1.26 OCCCCNCc1cccc(c1)Br CSC000185689 [0,2,0,0,0,0|2,0,0]=4 149 B14R1.26 OCCCCNCc1cccc(c1)Cl CSC011695067 [0,2,0,0,0,0|2,0,0]=4 150 B14R1.26 OCCCCNCc1cccc(c1)Cl CSC011695067 [0,2,0,0,0,0|2,0,0]=4 151 B14R1.34 CCCCN(C)Cc1cccc(c1)Br CSC000174687 [0,2,0,0,0,0|2,0,0]=4 152 B14R1.148 CC(C)CCNCc1cccc(c1)Br CSC000196079 [0,2,0,0,0,0|2,0,0]=4 153 B14R1.148 CC(C)CCNCc1cccc(c1)Cl CSC000196081 [0,2,0,0,0,0|2,0,0]=4 154 B14R1.148 CC(C)CNCCc1cccc(c1)Cl CSC000202866 [0,2,0,0,0,0|2,0,0]=4 155 B14R1.148 CC(C)NCCCc1cccc(c1)Cl CSC011691588 [0,2,0,0,0,0|2,0,0]=4 156 B14R1.218 CCCCNCc1cc(ccc1F)Cl CSC011388460 [0,2,0,0,0,0|2,0,0]=4 157 B14R1.228 CCCCCOc1cccc(c1)C#N CSC011213595 [0,2,0,0,0,0|2,0,0]=4 158 B14R1.228 CCCCCOc1cccc(c1)CO CSC011232717 [0,2,0,0,0,0|1,0,1]=4 159 B14R1.228 CCCCNCc1cccc(c1)OC CSC000196037 [0,2,0,0,0,0|1,0,1]=4 160 B14R1.232 CCCCNCc1ccc(c(c1)Cl)Cl CSC000196035 [0,2,0,0,0,0|2,0,0]=4 161 B14R1.899 CCCCOc1cccc(c1)C(=O)C CSC011212505 [0,2,0,0,0,0|2,0,0]=4 162 B14R1.899 CCCNCc1cccc(c1)[N+](=O)[O-] CSC000201648 [0,2,0,0,0,0|2,0,0]=4 163 B12R2.2057 C(NC1CC1)c2ccccc2 CSC000196367 [1,0,0,1,0,0|2,0,0]=4 164 B12R2.2057 C(Nc1ccccc1)C2CC2 CSC011316272 [1,0,0,1,0,0|2,0,0]=4 165 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [1,0,0,1,0,0|2,0,0]=4 166 B14R2.21 Cc1cccc(n1)N2CCCCC2 CSC011996414 [0,1,0,1,0,0|2,0,0]=4 167 B14R2.268 CC1CC1NCc2cccc(c2)Br CSC011669061 [0,1,0,1,0,0|2,0,0]=4 168 B14R2.269 CC1CCCN1c2cccc(n2)C CSC015933272 [0,1,0,1,0,0|2,0,0]=4 169 B14R2.716 Cc1cccc(c1)CN2CCCC2 CSC000209217 [0,1,0,1,0,0|2,0,0]=4 170 B14R2.716 Clc1cccc(c1)CN2CCCC2 CSC000174537 [0,1,0,1,0,0|2,0,0]=4 171 B14R2.716 Fc1cccc(c1)CN2CCCC2 CSC000174577 [0,1,0,1,0,0|2,0,0]=4 172 B14R2.716 Ic1cccc(c1)CN2CCCC2 CSC000049980 [0,1,0,1,0,0|2,0,0]=4 173 B14R2.716 Nc1cccc(c1)CN2CCCC2 CSC000738244 [0,1,0,1,0,0|2,0,0]=4 174 B14R2.716 Oc1cccc(c1)CN2CCCC2 CSC011276313 [0,1,0,1,0,0|1,0,1]=4 175 B10R1.21 CCCNCc1cccs1 CSC000186944 [1,0,0,0,1,0|1,1,0]=4 176 B10R1.21 CCCNCc1ccsc1 CSC000201670 [1,0,0,0,1,0|2,0,0]=4 177 B10R1.21 OCCNCc1ccco1 CSC000200452 [1,0,0,0,1,0|2,0,0]=4