0 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 COCSc1ccccc1 CSC000000817 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 CSCCc1ccncc1 CSC015420737 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.17 OCCSc1ccccn1 CSC000156319 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 OCCSc1ccncc1 CSC011297907 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,0,0,0,0,0|1,0,1]=3 16 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.32 CN(CCO)Cc1ccccn1 CSC011317074 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.32 CN(CCO)Cc1cccnc1 CSC011316762 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.32 CN(CCO)Cc1ccncc1 CSC000224485 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)N CSC011423145 [0,1,0,0,0,0|1,0,2]=4 21 B12R1.49 Cc1ccc(cc1)NC(=O)CO CSC000246325 [0,1,0,0,0,0|1,0,2]=4 22 B12R1.50 Cc1cccc(c1)NC(=O)CO CSC000749660 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.118 CCN(CC)Cc1ccccc1 CSC000184721 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.194 CCS(=O)(=O)Cc1ccccc1 CSC000047422 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.371 Cc1ccccc1CC(=O)NO CSC000190267 [0,1,0,0,0,0|1,0,2]=4 26 B12R2.32 CCN1Cc2ccccc2C1 CSC016200629 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [0,0,0,1,0,0|3,0,0]=4 28 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,0,0,0,0,1|1,0,0]=2 29 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,0,0,0,0,1|1,0,2]=4 30 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,0,0,0,0,1|1,0,2]=4 31 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [0,0,0,0,0,1|3,0,0]=4 32 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,0,0,0,0,1|3,0,0]=4 33 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [0,0,0,0,0,1|3,0,0]=4 34 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,0,0,0,0,1|2,0,0]=3 35 B12R1.27 CCC(N)CNc1ccccn1 CSC011915201 [0,0,0,0,0,1|3,0,0]=4 36 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,0,0,0,0,1|0,0,2]=3 37 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [0,0,0,0,0,1|0,0,0]=1 38 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.1 OCCSc1ccc(cn1)Cl CSC011219778 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.17 CCCOc1ccccc1Br CSC000174042 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.17 CCCOc1ccccc1C CSC000169983 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.17 CCCOc1ccccc1F CSC000173322 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.17 CCCSc1ccccc1Br CSC000230854 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.17 CCNCc1ccccc1F CSC000201217 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.17 CCSCc1ccccc1Cl CSC000044547 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.17 Cc1ccccc1NCCO CSC011233185 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.17 Cc1ccccc1OCCO CSC011305843 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.17 FCCSc1ccccc1Br CSC010198681 [1,1,0,0,0,0|2,0,0]=4 75 B11R1.17 OCCNc1ccccc1Br CSC011233104 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.17 OCCOc1ccccc1Cl CSC000230518 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.17 OCCOc1ccccc1F CSC000756447 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.17 OCCSc1ccccc1Br CSC000230852 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.17 OCCSc1ccccc1Cl CSC000230572 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.17 OCCSc1ccccc1F CSC000230732 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.24 CCNCc1cccc(c1)F CSC000195558 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.24 CCNCc1cccc(c1)O CSC000201218 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.24 CCSCc1cccc(c1)Br CSC000173034 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.24 CCSCc1cccc(c1)Cl CSC000044546 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.24 CCSCc1cccc(c1)F CSC000044556 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.24 Cc1cccc(c1)NCCO CSC011232808 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.24 Cc1cccc(c1)OCCO CSC011215094 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.24 Cc1cccc(c1)SCCO CSC011432187 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.24 OCCOc1cccc(c1)F CSC011305856 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.24 OCCSc1cccc(c1)Br CSC011756134 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.24 OCCSc1cccc(c1)Cl CSC011721761 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.24 OCCSc1cccc(c1)F CSC011996949 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.28 CCCCNc1ccccn1 CSC000156416 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.28 CCCNCc1ccccn1 CSC000201641 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.28 CCCNCc1cccnc1 CSC000180834 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.28 CCCNCc1ccncc1 CSC000180873 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.28 COCCSc1ccccn1 CSC000024487 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,1,0,0,0,0|0,1,0]=3 108 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,1,0,0,0,0|1,1,0]=4 109 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,1,0,0,0,0|0,0,0]=2 111 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,1,0,0,0,0|0,0,0]=2 112 B11R1.28 OCCNCc1ccccn1 CSC000200435 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.28 OCCNCc1ccncc1 CSC000200482 [1,1,0,0,0,0|1,0,0]=3 114 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,1,0,0,0,0|0,0,0]=2 115 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.20 CC(C)Nc1ccc(cc1)Br CSC000219625 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.20 CC(C)Sc1ccc(cc1)Br CSC009811894 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.20 CC(C)Sc1ccc(cc1)C CSC000006694 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.20 CC(C)Sc1ccc(cc1)Cl CSC000005997 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.20 CC(C)Sc1ccc(cc1)F CSC000006008 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.86 CC(C)Oc1ccccc1F CSC000173055 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.157 CC(C)Oc1cccc(c1)F CSC000170039 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.157 CC(C)Sc1cccc(c1)Br CSC009815759 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.157 CC(C)Sc1cccc(c1)Cl CSC000059006 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.509 CS(=O)(=O)Cc1ccccc1 CSC000034595 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,1,0,0,1,0|2,0,0]=4 128 B13R1.11 CC(CO)NC(=O)c1ccccc1 CSC011241097 [0,1,0,0,0,1|1,0,1]=4 129 B13R1.14 CCC(C)NCc1ccc(cc1)Br CSC000187027 [0,1,0,0,0,1|2,0,0]=4 130 B13R1.14 CCC(C)NCc1ccc(cc1)C CSC000189136 [0,1,0,0,0,1|2,0,0]=4 131 B13R1.14 CCC(C)NCc1ccc(cc1)Cl CSC000180880 [0,1,0,0,0,1|2,0,0]=4 132 B13R1.14 CCC(C)NCc1ccc(cc1)F CSC000180881 [0,1,0,0,0,1|2,0,0]=4 133 B13R1.14 C[C@H](CN)NCc1ccc(cc1)Br CSC013509881 [0,1,0,0,0,1|2,0,0]=4 134 B13R1.15 CC(CO)NCc1cccc(c1)Br CSC000714187 [0,1,0,0,0,1|1,0,0]=3 135 B13R1.15 CCC(C)NCc1cccc(c1)Br CSC000187015 [0,1,0,0,0,1|2,0,0]=4 136 B13R1.15 CCC(C)NCc1cccc(c1)C CSC000223451 [0,1,0,0,0,1|2,0,0]=4 137 B13R1.15 CCC(C)NCc1cccc(c1)Cl CSC000215858 [0,1,0,0,0,1|2,0,0]=4 138 B13R1.15 C[C@H](CN)NCc1cccc(c1)Br CSC013509982 [0,1,0,0,0,1|2,0,0]=4 139 B13R1.15 OCC(O)CSc1cccc(c1)Cl CSC012650634 [0,1,0,0,0,1|0,0,0]=2 140 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [0,1,0,0,0,1|2,0,0]=4 141 B13R1.42 CCCC(O)CSc1ccccc1 CSC012179918 [0,1,0,0,0,1|1,0,0]=3 142 B13R1.254 CC(C)(CO)NCc1ccccc1 CSC000186973 [0,1,0,0,0,1|1,0,0]=3 143 B13R1.254 CC(C)(CO)NCc1cccnc1 CSC000186871 [0,1,0,0,0,1|2,0,0]=4 144 B13R1.254 CC(C)(CO)NCc1ccncc1 CSC000186974 [0,1,0,0,0,1|2,0,0]=4 145 B13R1.254 CCC(C)(C)NCc1ccccc1 CSC011200195 [0,1,0,0,0,1|2,0,0]=4 146 B13R1.351 CC(C)C(C)NCc1ccccc1 CSC000196735 [0,1,0,0,0,1|2,0,0]=4 147 B13R1.417 CCC(CC)NCc1ccccc1 CSC000196522 [0,1,0,0,0,1|2,0,0]=4 148 B13R1.417 CCC(CO)NCc1ccccc1 CSC000180821 [0,1,0,0,0,1|1,0,0]=3 149 B13R1.417 CCC(CO)NCc1ccccn1 CSC000200874 [0,1,0,0,0,1|2,0,0]=4 150 B13R1.417 CCC(CO)NCc1cccnc1 CSC000186815 [0,1,0,0,0,1|2,0,0]=4 151 B13R1.417 CCC(CO)NCc1ccncc1 CSC000180862 [0,1,0,0,0,1|2,0,0]=4 152 B13R1.417 CC[C@@H](CO)NCc1ccccc1 CSC000700121 [0,1,0,0,0,1|1,0,0]=3 153 B13R1.528 CCC(C)NCc1ccccc1Br CSC000223441 [0,1,0,0,0,1|2,0,0]=4 154 B13R1.528 CCC(C)NCc1ccccc1C CSC000215861 [0,1,0,0,0,1|2,0,0]=4 155 B13R1.528 CCC(C)NCc1ccccc1Cl CSC000215857 [0,1,0,0,0,1|2,0,0]=4 156 B13R1.528 CCC(C)NCc1ccccc1F CSC000215860 [0,1,0,0,0,1|2,0,0]=4 157 B13R1.528 C[C@H](CN)NCc1ccccc1Br CSC013509883 [0,1,0,0,0,1|2,0,0]=4 158 B13R1.528 OCC(O)CSc1ncccc1Br CSC012622737 [0,1,0,0,0,1|1,0,0]=3 159 B13R1.19 CN(CCO)Cc1ccc(cc1)Br CSC000224341 [0,2,0,0,0,0|2,0,0]=4 160 B13R1.19 CN(CCO)Cc1ccc(cc1)C CSC000224370 [0,2,0,0,0,0|2,0,0]=4 161 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl CSC000224337 [0,2,0,0,0,0|2,0,0]=4 162 B13R1.19 CN(CCO)Cc1ccc(cc1)F CSC000224347 [0,2,0,0,0,0|2,0,0]=4 163 B13R1.20 CN(CCO)Cc1cccc(c1)Br CSC000224461 [0,2,0,0,0,0|2,0,0]=4 164 B13R1.20 CN(CCO)Cc1cccc(c1)Cl CSC000224350 [0,2,0,0,0,0|2,0,0]=4 165 B13R1.20 CN(CCO)Cc1cccc(c1)F CSC000224427 [0,2,0,0,0,0|2,0,0]=4 166 B13R1.470 CN(CCO)Cc1ccccc1Br CSC000224450 [0,2,0,0,0,0|2,0,0]=4 167 B13R1.470 CN(CCO)Cc1ccccc1C CSC000224444 [0,2,0,0,0,0|2,0,0]=4 168 B13R1.470 CN(CCO)Cc1ccccc1Cl CSC000224351 [0,2,0,0,0,0|2,0,0]=4 169 B13R1.470 CN(CCO)Cc1ccccc1F CSC000224327 [0,2,0,0,0,0|2,0,0]=4 170 B13R2.2383 C(Nc1ccccc1)C2CCC2 CSC000685713 [0,0,0,1,0,1|2,0,0]=4 171 B9R1.12 OCCSc1cccs1 CSC011305907 [1,0,0,0,1,0|2,0,0]=4 172 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,0,0,0,1,0|1,0,1]=4 173 B13R1.718 CC(CO)CNCc1ccccc1 CSC011493029 [0,0,0,0,0,2|1,0,0]=3 174 B13R1.718 CCC(C)NCCc1ccccc1 CSC000199858 [0,0,0,0,0,2|2,0,0]=4 175 B13R1.718 OCC(O)CNCc1ccccc1 CSC000157146 [0,0,0,0,0,2|0,0,0]=2