0 B13R2.57 CCN1CCc2ccccc2C1 CSC046083894 [0,1,0,0,0,0|3,0,0]=4 1 B11R1.17 Brc1ccccc1OCC=C CSC000173964 [0,0,1,0,0,0|3,0,0]=4 2 B11R1.17 Cc1ccccc1NCC=C CSC011613358 [0,0,1,0,0,0|3,0,0]=4 3 B11R1.17 Cc1ccccc1OCC=C CSC000172067 [0,0,1,0,0,0|3,0,0]=4 4 B11R1.17 Clc1ccccc1OCC=C CSC000172057 [0,0,1,0,0,0|3,0,0]=4 5 B11R1.17 Fc1ccccc1OCC=C CSC000173442 [0,0,1,0,0,0|3,0,0]=4 6 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [0,0,1,0,0,0|1,0,0]=2 7 B11R1.40 CCC(=O)Nc1ccccn1 CSC000017115 [0,0,1,0,0,0|2,0,0]=3 8 B11R1.40 CCC(=O)Nc1cccnc1 CSC000159158 [0,0,1,0,0,0|2,0,0]=3 9 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [0,0,1,0,0,0|0,0,0]=1 10 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,0,1,0,0,0|1,1,1]=4 11 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,0,1,0,0,0|3,0,0]=4 12 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [0,0,1,0,0,0|2,0,0]=3 13 B11R1.40 CNC(=O)Nc1ccccn1 CSC000024314 [0,0,1,0,0,0|3,0,0]=4 14 B11R1.40 CNC(=O)Nc1cccnc1 CSC000233841 [0,0,1,0,0,0|3,0,0]=4 15 B11R1.40 COC(=O)Oc1ccccc1 CSC000020726 [0,0,1,0,0,0|1,0,0]=2 16 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [0,0,1,0,0,0|2,0,0]=3 17 B11R1.40 NCC(=O)Nc1ccncc1 CSC000238581 [0,0,1,0,0,0|3,0,0]=4 18 B11R1.41 CCNc1ccccc1CC CSC000221538 [0,0,1,0,0,0|2,0,1]=4 19 B11R1.41 CCOc1ccccc1CO CSC000708577 [0,0,1,0,0,0|2,0,1]=4 20 B11R1.41 CCOc1ccccc1OC CSC000005897 [0,0,1,0,0,0|2,0,1]=4 21 B11R1.41 CCOc1ccccc1SC CSC010366423 [0,0,1,0,0,0|2,0,1]=4 22 B11R1.86 CC(=O)Nc1ccccc1Br CSC000153524 [0,0,1,0,0,0|2,0,0]=3 23 B11R1.86 CC(=O)Nc1ccccc1C CSC000153662 [0,0,1,0,0,0|1,0,0]=2 24 B11R1.86 CC(=O)Nc1ccccc1Cl CSC000153741 [0,0,1,0,0,0|2,0,0]=3 25 B11R1.86 CC(=O)Nc1ccccc1F CSC000154224 [0,0,1,0,0,0|2,0,0]=3 26 B11R1.86 CC(=O)Nc1ccccc1I CSC000154044 [0,0,1,0,0,0|2,0,0]=3 27 B11R1.86 CC(=O)Nc1ccncc1Br CSC012340662 [0,0,1,0,0,0|3,0,0]=4 28 B11R1.86 CC(=O)Nc1ncccc1C CSC000016773 [0,0,1,0,0,0|2,0,0]=3 29 B11R1.86 CC(=O)Nc1ncccc1O CSC000022013 [0,0,1,0,0,0|3,0,0]=4 30 B11R1.86 CC(=O)Oc1ccccc1C CSC000001913 [0,0,1,0,0,0|0,0,0]=1 31 B11R1.86 CC(=O)Oc1ccccc1F CSC000001835 [0,0,1,0,0,0|1,0,0]=2 32 B11R1.86 CC(C)Oc1ccccc1F CSC000173055 [0,0,1,0,0,0|2,0,1]=4 33 B11R1.86 Cc1ccccc1NC(=O)N CSC000181700 [0,0,1,0,0,0|2,0,0]=3 34 B11R1.86 NC(=O)Cc1ccccc1Cl CSC000162363 [0,0,1,0,0,0|3,0,0]=4 35 B11R1.86 NC(=O)Cc1ccccc1F CSC000162305 [0,0,1,0,0,0|3,0,0]=4 36 B11R1.86 NC(=O)Nc1ccccc1Br CSC000742221 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.86 NC(=O)Nc1ccccc1Cl CSC000181701 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [0,0,1,0,0,0|3,0,0]=4 39 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [0,0,1,0,0,0|3,0,0]=4 40 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [0,0,1,0,0,0|3,0,0]=4 41 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [0,0,1,0,0,0|3,0,0]=4 42 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [0,0,1,0,0,0|3,0,0]=4 43 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [0,0,1,0,0,0|2,0,0]=3 44 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [0,0,1,0,0,0|2,0,1]=4 45 B11R1.91 NC(=O)C#Cc1ccccc1 CSC000041776 [0,0,1,0,0,0|1,0,2]=4 46 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [0,0,1,0,0,0|2,0,0]=3 47 B11R1.91 NC(=O)CSc1ccccn1 CSC000149794 [0,0,1,0,0,0|3,0,0]=4 48 B11R1.91 OC(=O)CSc1ccccn1 CSC000156281 [0,0,1,0,0,0|2,0,0]=3 49 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,0,1,0,0,0|0,1,1]=4 51 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,0,1,0,0,0|1,0,1]=4 53 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,0,1,0,0,0|1,0,1]=4 54 B10R1.4 CCOc1ccccc1F CSC000172994 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.4 CCSc1ccccc1C CSC000053911 [1,0,1,0,0,0|0,1,1]=4 56 B10R1.20 COc1ccccc1SC CSC000037525 [1,0,1,0,0,0|1,0,1]=4 57 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,0,1,0,0,0|2,0,0]=4 58 B12R1.121 COc1ccccc1OCC=C CSC000006401 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.121 COc1ccccc1SCC=C CSC000055742 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.121 OCc1ccccc1OCC=C CSC000246290 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.125 CC(=O)NCc1ccccc1Br CSC011237613 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.125 CC(=O)NCc1ccccc1C CSC000175807 [0,1,1,0,0,0|2,0,0]=4 63 B12R1.125 CC(=O)NCc1ccccc1Cl CSC000155626 [0,1,1,0,0,0|2,0,0]=4 64 B12R1.125 CC(=O)OCc1ccccc1C CSC000000619 [0,1,1,0,0,0|2,0,0]=4 65 B12R1.125 Cc1ccccc1OCC(=O)N CSC000150533 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.125 NC(=O)CCc1ccccc1Cl CSC000162028 [0,1,1,0,0,0|1,0,0]=3 67 B12R1.125 NC(=O)CCc1ccccc1F CSC000016472 [0,1,1,0,0,0|1,0,0]=3 68 B12R1.125 NC(=O)COc1ccccc1Cl CSC000150432 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.125 NC(=O)COc1ccccc1F CSC000150391 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.125 NC(=O)COc1ccccc1O CSC000162348 [0,1,1,0,0,0|1,0,0]=3 71 B12R1.125 OC(=O)COc1ccccc1F CSC000182486 [0,1,1,0,0,0|2,0,0]=4 72 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [0,1,1,0,0,0|0,0,0]=2 73 B12R1.32 CCNC(=O)Nc1ccccc1 CSC000163281 [0,1,1,0,0,0|1,0,0]=3 74 B12R1.32 CCNC(=O)Nc1ccncc1 CSC000181110 [0,1,1,0,0,0|2,0,0]=4 75 B12R1.32 CNCC(=O)Nc1ccccc1 CSC000168086 [0,1,1,0,0,0|1,0,0]=3 76 B12R1.32 CNCC(=O)Nc1cccnc1 CSC011225664 [0,1,1,0,0,0|2,0,0]=4 77 B12R1.32 COCC(=O)Nc1cccnc1 CSC000159174 [0,1,1,0,0,0|2,0,0]=4 78 B12R1.32 COCC(=O)Nc1ccncc1 CSC000186599 [0,1,1,0,0,0|2,0,0]=4 79 B12R1.32 NCCC(=O)Nc1ccccc1 CSC011195676 [0,1,1,0,0,0|1,0,0]=3 80 B12R1.34 CCC(=O)N(C)c1ccccc1 CSC000158323 [0,1,1,0,0,0|1,0,0]=3 81 B12R1.34 CN(C(=O)CN)c1ccccc1 CSC000174886 [0,1,1,0,0,0|2,0,0]=4 82 B12R1.34 COC(=O)C(O)c1ccccc1 CSC000150732 [0,1,1,0,0,0|2,0,0]=4 83 B12R1.34 COC(=O)[C@@H](O)c1ccccc1 CSC009815906 [0,1,1,0,0,0|2,0,0]=4 84 B12R1.34 COC(=O)[C@H](O)c1ccccc1 CSC009815907 [0,1,1,0,0,0|2,0,0]=4 85 B12R1.43 CC(C)C(=O)Nc1ccccc1 CSC000153472 [0,1,1,0,0,0|1,0,0]=3 86 B12R1.43 CC(C)C(=O)Nc1cccnc1 CSC000242802 [0,1,1,0,0,0|2,0,0]=4 87 B12R1.43 CC(C)C(=O)Oc1ccccc1 CSC000001937 [0,1,1,0,0,0|0,0,0]=2 88 B12R1.194 CCS(=O)(=O)Cc1ccccc1 CSC000047422 [0,1,1,0,0,0|2,0,0]=4 89 B12R1.75 CC(=O)Oc1ccccc1C#N CSC000001326 [0,1,1,0,0,0|1,0,1]=4 90 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [0,1,1,0,0,0|1,0,0]=3 91 B12R1.75 CCc1ccccc1NC(=O)N CSC011196910 [0,1,1,0,0,0|1,0,0]=3 92 B12R1.75 COc1ccccc1CC(=O)N CSC000162009 [0,1,1,0,0,0|2,0,0]=4 93 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,1,1,0,0,0|1,0,0]=3 94 B12R1.169 CCNc1ccccc1OCC CSC000221050 [0,1,1,0,0,0|1,0,1]=4 95 B12R1.169 CCOc1ccccc1CC=C CSC011198606 [0,1,1,0,0,0|2,0,0]=4 96 B12R1.169 CCOc1ccccc1CCO CSC011754905 [0,1,1,0,0,0|1,0,1]=4 97 B12R1.169 CCOc1ccccc1OCC CSC000170581 [0,1,1,0,0,0|1,0,1]=4 98 B12R1.124 CN(C(=O)C)c1ccccc1C CSC012109126 [0,1,1,0,0,0|1,0,0]=3 99 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br CSC011252870 [0,1,1,0,0,0|2,0,0]=4 100 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl CSC012362533 [0,1,1,0,0,0|2,0,0]=4 101 B12R1.127 CC(=O)Nc1cc(ccc1C)Br CSC011344836 [0,1,1,0,0,0|1,0,0]=3 102 B12R1.127 CC(=O)Nc1cc(ccc1C)C CSC000152684 [0,1,1,0,0,0|1,0,0]=3 103 B12R1.127 CC(=O)Nc1cc(ccc1C)F CSC000155779 [0,1,1,0,0,0|1,0,0]=3 104 B12R1.127 CC(=O)Nc1cc(ccc1C)N CSC000740626 [0,1,1,0,0,0|1,0,0]=3 105 B12R1.127 CC(=O)Nc1cc(ccc1F)Br CSC011951791 [0,1,1,0,0,0|2,0,0]=4 106 B12R1.127 CC(=O)Nc1cc(ccc1F)F CSC000155522 [0,1,1,0,0,0|2,0,0]=4 107 B12R1.127 CC(=O)Nc1cc(ccc1O)Br CSC010005742 [0,1,1,0,0,0|2,0,0]=4 108 B12R1.127 CC(=O)Nc1cc(ccc1O)C CSC000035807 [0,1,1,0,0,0|2,0,0]=4 109 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl CSC000012038 [0,1,1,0,0,0|2,0,0]=4 110 B12R1.127 CC(=O)Oc1cc(ccc1C)C CSC000002421 [0,1,1,0,0,0|0,0,0]=2 111 B12R1.127 Cc1ccc(c(c1)CC(=O)N)C CSC011694954 [0,1,1,0,0,0|2,0,0]=4 112 B12R1.127 Cc1ccc(cc1NC(=O)N)Cl CSC000238962 [0,1,1,0,0,0|2,0,0]=4 113 B12R1.151 Cc1ccccc1NS(=O)(=O)C CSC000165619 [0,1,1,0,0,0|2,0,0]=4 114 B12R1.224 CC(=O)Nc1cccc(c1C)Br CSC011775766 [0,1,1,0,0,0|1,0,0]=3 115 B12R1.224 CC(=O)Nc1cccc(c1C)C CSC000153689 [0,1,1,0,0,0|1,0,0]=3 116 B12R1.224 CC(=O)Nc1cccc(c1C)N CSC000736503 [0,1,1,0,0,0|1,0,0]=3 117 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl CSC000155691 [0,1,1,0,0,0|2,0,0]=4 118 B12R1.224 CC(=O)Nc1cccc(c1F)Cl CSC000152519 [0,1,1,0,0,0|2,0,0]=4 119 B12R1.224 CC(=O)Nc1cccc(c1O)Cl CSC000117800 [0,1,1,0,0,0|2,0,0]=4 120 B12R1.224 Cc1c(cccc1NC(=O)N)Cl CSC000238989 [0,1,1,0,0,0|2,0,0]=4 121 B12R1.1009 CC(=O)Nc1c(cccc1C)C CSC000152485 [0,1,1,0,0,0|1,0,0]=3 122 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C CSC011996691 [0,1,1,0,0,0|1,0,0]=3 123 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F CSC012243075 [0,1,1,0,0,0|2,0,0]=4 124 B12R1.1009 CC(=O)Nc1c(cccc1F)F CSC000155699 [0,1,1,0,0,0|2,0,0]=4 125 B12R1.1009 CC(=O)Nc1c(cccc1O)C CSC000103797 [0,1,1,0,0,0|1,0,0]=3 126 B12R1.1009 CC(=O)Oc1c(cccc1C)C CSC000001954 [0,1,1,0,0,0|0,0,0]=2 127 B12R1.1009 CC(=O)Oc1c(cccc1Cl)Cl CSC000002155 [0,1,1,0,0,0|1,0,0]=3 128 B12R1.1009 Cc1cccc(c1NC(=O)N)C CSC011196911 [0,1,1,0,0,0|2,0,0]=4 129 B12R1.1009 Cc1cccc(c1NC(=O)N)Cl CSC012184704 [0,1,1,0,0,0|2,0,0]=4 130 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,1,1,0,0,0|2,0,0]=4 131 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,1,1,0,0,0|2,0,0]=4 132 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,1,1,0,0,0|1,0,0]=3 133 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [0,1,1,0,0,0|2,0,0]=4 134 B12R1.27 CNC(=O)CSc1ccccc1 CSC000150703 [0,1,1,0,0,0|2,0,0]=4 135 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [0,1,1,0,0,0|2,0,0]=4 136 B12R1.27 COC(=O)C#Cc1ccccc1 CSC011216089 [0,1,1,0,0,0|0,0,2]=4 137 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [0,1,1,0,0,0|1,0,0]=3 138 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [0,1,1,0,0,0|1,0,0]=3 139 B12R1.27 COC(=O)CSc1ccccn1 CSC000156013 [0,1,1,0,0,0|2,0,0]=4 140 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [0,1,1,0,0,0|1,0,0]=3 141 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [0,1,1,0,0,0|1,0,0]=3 142 B12R1.27 NNC(=O)COc1ccccc1 CSC000186219 [0,1,1,0,0,0|2,0,0]=4 143 B12R1.27 NNC(=O)CSc1ccccc1 CSC000189974 [0,1,1,0,0,0|2,0,0]=4 144 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,1,1,0,0,0|1,0,0]=3 145 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,1,1,0,0,0|2,0,0]=4 146 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,1,1,0,0,0|2,0,0]=4 147 B12R1.107 CN(CC(=O)O)c1ccccn1 CSC015360306 [0,1,1,0,0,0|2,0,0]=4 148 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,1,1,0,0,0|2,0,0]=4 149 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,1,1,0,0,0|2,0,0]=4 150 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [0,1,1,0,0,0|2,0,0]=4 151 B12R2.32 CSc1nc2ccccc2o1 CSC000000691 [0,1,0,0,1,0|1,1,0]=4 152 B14R2.134 COc1ccc2c(c1)NC(=O)CC2 CSC012187205 [0,2,0,0,0,0|1,0,0]=3 153 B14R2.781 CC(=O)N1CCc2ccccc2C1 CSC000152829 [0,2,0,0,0,0|2,0,0]=4 154 B14R2.781 NC(=O)C1CCc2ccccc2O1 CSC009954463 [0,2,0,0,0,0|0,0,1]=3 155 B14R2.781 NC(=O)N1CCc2ccccc2C1 CSC000238885 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [0,0,1,0,1,0|2,0,0]=4 157 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [0,0,1,0,1,0|2,0,0]=4 158 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [0,0,1,0,1,0|2,0,0]=4 159 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [0,0,1,0,1,0|2,0,0]=4 160 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [0,0,1,0,0,1|2,0,0]=4 161 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [0,0,1,0,0,1|1,0,0]=3 162 B12R1.252 CC(=O)CCSc1ccccn1 CSC000208669 [0,0,1,0,0,1|2,0,0]=4 163 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,0,1,0,0,1|1,0,0]=3 164 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,0,1,0,0,1|1,0,0]=3 165 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,0,1,0,0,1|1,0,0]=3 166 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,0,1,0,0,1|1,0,0]=3 167 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,0,1,0,0,1|1,0,0]=3 168 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,0,1,0,0,1|1,0,0]=3