0 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.27 CCC(C)NCc1ccccn1 CSC000199859 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 CCC(C)NCc1cccnc1 CSC000187012 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.27 CCC(C)NCc1ccncc1 CSC000180841 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,0,0,0,0,0|2,0,1]=3 5 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.27 OCC(O)CSc1ccccc1 CSC000208506 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,0,0,0,0,0|1,0,2]=4 18 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,0,0,0,0,0|1,0,2]=4 19 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.91 CC(C)CNc1ccccn1 CSC000156674 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.91 CC(C)NCc1ccccn1 CSC000200191 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 CC(C)NCc1cccnc1 CSC000200193 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.91 CC(C)NCc1ccncc1 CSC000200223 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.91 CC(N)CNc1ccccn1 CSC011914399 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [1,0,0,0,0,0|2,0,1]=4 33 B13R1.14 CCC(C)NCc1ccc(cc1)Br CSC000187027 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.14 CCC(C)NCc1ccc(cc1)C CSC000189136 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.14 CCC(C)NCc1ccc(cc1)Cl CSC000180880 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.14 CCC(C)NCc1ccc(cc1)F CSC000180881 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.14 C[C@H](CN)NCc1ccc(cc1)Br CSC013509881 [0,1,0,0,0,0|2,0,1]=4 38 B13R1.15 CC(CO)NCc1cccc(c1)Br CSC000714187 [0,1,0,0,0,0|1,0,2]=4 39 B13R1.15 CCC(C)NCc1cccc(c1)Br CSC000187015 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.15 CCC(C)NCc1cccc(c1)C CSC000223451 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.15 CCC(C)NCc1cccc(c1)Cl CSC000215858 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.15 C[C@H](CN)NCc1cccc(c1)Br CSC013509982 [0,1,0,0,0,0|2,0,1]=4 43 B13R1.42 CCCC(C)NCc1ccccc1 CSC000196585 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.42 CN(CCN)CCc1ccccc1 CSC011293287 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.135 CC(C#C)N(C)Cc1ccccc1 CSC015450762 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.254 CC(C)(CO)NCc1ccccc1 CSC000186973 [0,1,0,0,0,0|1,0,2]=4 47 B13R1.254 CCC(C)(C)NCc1ccccc1 CSC011200195 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.351 CC(C)C(C)NCc1ccccc1 CSC000196735 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.351 CC(CSc1ccccc1)C(=O)N CSC000071512 [0,1,0,0,0,0|1,0,0]=2 50 B13R1.351 CC(SCc1ccccc1)C(=O)N CSC000149388 [0,1,0,0,0,0|1,0,0]=2 51 B13R1.351 OC(=O)C(=O)NCc1ccccc1 CSC000238767 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.417 CCC(CC)NCc1ccccc1 CSC000196522 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.417 CCC(CO)NCc1ccccc1 CSC000180821 [0,1,0,0,0,0|1,0,2]=4 54 B13R1.417 CC[C@@H](CO)NCc1ccccc1 CSC000700121 [0,1,0,0,0,0|1,0,2]=4 55 B13R1.528 CCC(C)NCc1ccccc1Br CSC000223441 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.528 CCC(C)NCc1ccccc1C CSC000215861 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.528 CCC(C)NCc1ccccc1Cl CSC000215857 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.528 CCC(C)NCc1ccccc1F CSC000215860 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.528 C[C@H](CN)NCc1ccccc1Br CSC013509883 [0,1,0,0,0,0|2,0,1]=4 60 B13R2.32 Cn1ncc2ccccc2c1=O CSC015946782 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.57 CCN1CCc2ccccc2C1 CSC046083894 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.2383 C(Nc1ccccc1)C2CCC2 CSC000685713 [0,0,0,1,0,0|2,0,1]=4 63 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,0,0,0,1,0|2,0,1]=4 64 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,0,0,0,1,0|2,0,1]=4 65 B13R1.718 CC(CO)CNCc1ccccc1 CSC011493029 [0,0,0,0,0,1|0,0,2]=3 66 B13R1.718 CCC(C)NCCc1ccccc1 CSC000199858 [0,0,0,0,0,1|1,0,1]=3 67 B13R1.718 CCC(C)NCCc1ccccn1 CSC000177427 [0,0,0,0,0,1|2,0,1]=4 68 B13R1.718 OCC(O)CNCc1ccccc1 CSC000157146 [0,0,0,0,0,1|1,0,2]=4 69 B10R1.17 C=CCSc1ccccc1 CSC000006400 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.17 CCCSc1ccccc1 CSC000005822 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.17 CCCSc1ccccn1 CSC000006455 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.17 CCSCc1ccccc1 CSC000006444 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.17 COCSc1ccccc1 CSC000000817 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.17 CSCCc1ccncc1 CSC015420737 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.17 OCCSc1ccccc1 CSC000230494 [2,0,0,0,0,0|1,0,1]=4 76 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.8 CCCCCSc1ccccc1 CSC000048317 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.8 CCSCCCc1ccccc1 CSC000053059 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.8 N#CCCCSc1ccccc1 CSC000172413 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.8 N#CCCSCc1ccccc1 CSC000172150 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.252 CC(=O)CCSc1ccccn1 CSC000208669 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [1,1,0,0,0,0|0,0,0]=2 92 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.21 CC(=O)CSc1ccc(cc1)C CSC000172844 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.21 CC(=O)CSc1ccc(cc1)Cl CSC000150472 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.21 CC(=O)CSc1ccc(cc1)F CSC000148136 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.21 CC(=O)NCc1ccc(cc1)C CSC000154265 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.21 CC(=O)NCc1ccc(cc1)Cl CSC000152849 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.21 CC(=O)NCc1ccc(cc1)F CSC000152308 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.21 CC(C)COc1ccc(cc1)Br CSC000169949 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.21 CC(C)NCc1ccc(cc1)C CSC000195779 [1,1,0,0,0,0|1,0,1]=4 103 B12R1.21 CC(C)NCc1ccc(cc1)Cl CSC000195761 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.21 CC(C)NCc1ccc(cc1)F CSC000195765 [1,1,0,0,0,0|1,0,1]=4 105 B12R1.21 CC(O)CSc1ccc(cc1)Cl CSC011366763 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.21 NC(=O)CCc1ccc(cc1)Cl CSC000022186 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.43 CN(Cc1ccccc1)C(=O)C CSC000152884 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)N CSC011423145 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [1,1,0,0,0,0|1,0,1]=4 110 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.125 CC(=C)COc1ccccc1C CSC000171510 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.125 CC(=C)CSc1ccccc1C CSC000053913 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.125 CC(=O)NCc1ccccc1Br CSC011237613 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.125 CC(=O)NCc1ccccc1C CSC000175807 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.125 CC(=O)NCc1ccccc1Cl CSC000155626 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.125 CC(=O)OCc1ccccc1C CSC000000619 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.125 CC(C)CNc1ccccc1Br CSC011231685 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.125 CC(C)COc1ccccc1Br CSC000173973 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.125 CC(C)NCc1ccccc1Br CSC000195800 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.125 CC(C)NCc1ccccc1C CSC000195778 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.125 CC(C)NCc1ccccc1Cl CSC000195757 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.125 NC(=O)CCc1ccccc1Cl CSC000162028 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.125 NC(=O)CCc1ccccc1F CSC000016472 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.226 CC(=O)NCc1cccc(c1)C CSC011222369 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.891 CS(=O)(=O)NCc1ccccc1 CSC000169538 [1,1,0,0,0,0|2,0,0]=4 128 B14R1.163 CCC(C)NCC(C)c1ccccc1 CSC000199881 [0,1,0,0,0,1|1,0,1]=4 129 B14R1.546 CCC(CC)NCCc1ccccc1 CSC000201710 [0,1,0,0,0,1|1,0,1]=4 130 B14R1.6449 CC(SCCc1ccccc1)C(=O)N CSC010371598 [0,1,0,0,0,1|0,0,0]=2 131 B14R1.6449 CN(CCOc1ccccc1)C(=O)C CSC000155252 [0,1,0,0,0,1|1,0,0]=3 132 B14R1.6449 OC(=O)C(=O)NCCc1ccccc1 CSC011297294 [0,1,0,0,0,1|1,0,1]=4 133 B14R1.415 C[C@@H](NC(=O)c1ccccc1)C(=O)O CSC011504567 [0,2,0,0,0,0|1,0,1]=4 134 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)O CSC011300776 [0,2,0,0,0,0|1,0,0]=3 135 B14R1.679 CC(NCc1ccc(cc1)Br)C(=O)O CSC011300776 [0,2,0,0,0,0|1,0,0]=3 136 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)O CSC011300714 [0,2,0,0,0,0|1,0,0]=3 137 B14R1.679 CC(NCc1ccc(cc1)Cl)C(=O)O CSC011300714 [0,2,0,0,0,0|1,0,0]=3 138 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)O CSC011300791 [0,2,0,0,0,0|1,0,0]=3 139 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)O CSC011300791 [0,2,0,0,0,0|1,0,0]=3 140 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)O CSC011192067 [0,2,0,0,0,0|1,0,0]=3 141 B14R1.818 CC(CCc1ccccc1)NC(=O)C CSC000155384 [0,2,0,0,0,0|0,0,0]=2 142 B14R1.818 CC(CCc1ccccc1)OC(=O)C CSC000033637 [0,2,0,0,0,0|0,0,0]=2 143 B14R1.425 C[C@H](N(C)Cc1ccccc1)C(=O)O CSC000696907 [0,2,0,0,0,0|1,0,0]=3 144 B14R1.161 CC(NCc1ccccc1Br)C(=O)O CSC011300747 [0,2,0,0,0,0|1,0,0]=3 145 B14R2.781 CC(=O)N1CCc2ccccc2C1 CSC000152829 [0,1,0,1,0,0|1,0,0]=3 146 B14R2.781 NC(=O)C1CCc2ccccc2O1 CSC009954463 [0,1,0,1,0,0|1,0,0]=3 147 B14R2.781 NC(=O)C1Cc2ccccc2CN1 CSC000195596 [0,1,0,1,0,0|1,0,0]=3 148 B14R2.781 NC(=O)N1CCc2ccccc2C1 CSC000238885 [0,1,0,1,0,0|1,0,0]=3 149 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,0,0,0,1,0|1,0,0]=3