0 B12R1.75 CC(=O)Nc1ccccc1C#N CSC000151996 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.75 CC(=O)Oc1ccccc1C#N CSC000001326 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.75 CCc1ccccc1NC(=O)N CSC011196910 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.75 COc1ccccc1CC(=O)N CSC000162009 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.75 COc1ccccc1SC(C)C CSC000055741 [0,0,0,0,0,0|1,1,1]=3 7 B11R1.41 CCNc1ccccc1CC CSC000221538 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.41 CCNc1ccccc1OC CSC000219754 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.41 CCNc1ncccc1OC CSC011290862 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.41 CCOc1ccccc1CO CSC000708577 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.41 CCOc1ccccc1OC CSC000005897 [1,0,0,0,0,0|0,0,1]=2 12 B11R1.41 CCOc1ccccc1SC CSC010366423 [1,0,0,0,0,0|0,1,1]=3 13 B11R1.41 CCSc1ccccc1OC CSC000055740 [1,0,0,0,0,0|0,1,1]=3 14 B11R1.41 COc1ccccc1CCO CSC011218620 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.41 COc1ccccc1CSC CSC000053060 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.86 CC(=O)Nc1ccccc1Br CSC000153524 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.86 CC(=O)Nc1ccccc1C CSC000153662 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.86 CC(=O)Nc1ccccc1Cl CSC000153741 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.86 CC(=O)Nc1ccccc1F CSC000154224 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.86 CC(=O)Nc1ccccc1I CSC000154044 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.86 CC(=O)Nc1ccncc1Br CSC012340662 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.86 CC(=O)Nc1ncccc1C CSC000016773 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.86 CC(=O)Nc1ncccc1O CSC000022013 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.86 CC(=O)Oc1ccccc1C CSC000001913 [1,0,0,0,0,0|0,0,0]=1 25 B11R1.86 CC(=O)Oc1ccccc1F CSC000001835 [1,0,0,0,0,0|1,0,0]=2 26 B11R1.86 CC(C)Oc1ccccc1F CSC000173055 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.86 Cc1ccccc1NC(=O)N CSC000181700 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.86 NC(=O)Cc1ccccc1Cl CSC000162363 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.86 NC(=O)Cc1ccccc1F CSC000162305 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.86 NC(=O)Nc1ccccc1Br CSC000742221 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.86 NC(=O)Nc1ccccc1Cl CSC000181701 [1,0,0,0,0,0|3,0,0]=4 32 B13R1.51 CCc1cc(ccc1NC(=O)C)Br CSC011218123 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.89 COc1ccccc1C(=O)N(C)C CSC000159541 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.91 CCC(=O)Nc1ccccc1CC CSC000154702 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.91 CCC(=O)Nc1ccccc1OC CSC000153685 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.91 CCC(=O)Nc1ccccc1SC CSC000151977 [0,1,0,0,0,0|1,1,0]=3 37 B13R1.91 CCc1ccccc1NC(=O)NC CSC011237242 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.91 COC(=O)Cc1ccccc1OC CSC000171725 [0,1,0,0,0,0|1,0,0]=2 39 B13R1.91 COC(=O)Nc1ccccc1OC CSC011256747 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.91 COc1ccccc1CC(=O)NN CSC000189968 [0,1,0,0,0,0|2,0,0]=3 41 B13R1.91 COc1ccccc1NC(=O)CN CSC000168439 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.380 CC(=O)Oc1ccccc1CC=C CSC000051687 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.380 CCCc1ccccc1NC(=O)C CSC011253081 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.380 CCOc1ccccc1NC(=O)C CSC000152242 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.380 CCOc1ccccc1NC(=O)N CSC000238960 [0,1,0,0,0,0|2,0,0]=3 46 B13R1.589 CC(=O)Nc1ccccc1C(=O)N CSC000187177 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.589 CC(=O)Oc1ccccc1C(=O)N CSC000019317 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.589 CC(C)c1ccccc1NC(=O)C CSC000155373 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.589 CN(C)c1ccccc1NC(=O)C CSC011242852 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.622 CCc1ccccc1NS(=O)(=O)C CSC000165553 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.622 COc1ccccc1NS(=O)(=O)C CSC000165623 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.622 COc1ccccc1OC(F)(F)F CSC000037442 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.622 CSc1ccccc1NS(=O)(=O)C CSC000165913 [0,1,0,0,0,0|2,1,0]=4 54 B13R1.2135 CCc1cccc(c1NC(=O)C)C CSC000153986 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.3089 COc1ccc(cc1NC(=O)C)C CSC000155816 [0,1,0,0,0,0|1,0,0]=2 56 B13R1.3089 COc1ccc(cc1NC(=O)C)Cl CSC000154124 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.3089 COc1ccc(cc1NC(=O)N)C CSC000238959 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.3089 COc1ccc(cc1NC(=O)N)Cl CSC011208896 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.72 CC(=O)N1CCc2c1cccc2 CSC000155365 [0,0,0,1,0,0|2,0,0]=3 60 B13R2.72 CC(=O)N1CCc2c1ccnc2 CSC015312797 [0,0,0,1,0,0|3,0,0]=4 61 B13R2.72 CC(=O)N1CCc2c1cncc2 CSC000144878 [0,0,0,1,0,0|3,0,0]=4 62 B13R2.72 NC(=O)N1CCc2c1cccc2 CSC000238899 [0,0,0,1,0,0|3,0,0]=4 63 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [0,0,0,0,1,0|1,0,0]=2 64 B11R1.53 COc1cccnc1[N+](=O)[O-] CSC000006493 [0,0,0,0,1,0|3,0,0]=4 65 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [0,0,0,0,1,0|1,1,0]=3 66 B13R1.90 CC(=C)COc1ccccc1CO CSC011232748 [0,0,0,0,0,1|3,0,0]=4 67 B13R1.90 CC(=O)COc1ccccc1C#N CSC000171606 [0,0,0,0,0,1|2,0,0]=3 68 B13R1.90 CC(=O)OCc1ccccc1C#N CSC000000590 [0,0,0,0,0,1|2,0,0]=3 69 B13R1.90 COc1ccccc1CNC(=O)C CSC000152208 [0,0,0,0,0,1|1,0,0]=2 70 B13R1.90 COc1ccccc1CNC(C)C CSC000195791 [0,0,0,0,0,1|2,0,1]=4 71 B13R1.90 CSc1ccccc1OCC(C)C CSC010368025 [0,0,0,0,0,1|1,1,1]=4 72 B13R1.90 NC(=O)COc1ccccc1C#N CSC000149663 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.4 CCOc1ccccc1Cl CSC000169953 [2,0,0,0,0,0|1,0,1]=4 74 B10R1.4 CCOc1ccccc1F CSC000172994 [2,0,0,0,0,0|1,0,1]=4 75 B10R1.4 CCSc1ccccc1C CSC000053911 [2,0,0,0,0,0|0,1,1]=4 76 B10R1.20 COc1ccccc1SC CSC000037525 [2,0,0,0,0,0|0,1,0]=3 77 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.112 CCOc1ccc(cc1OC)Br CSC012344064 [1,1,0,0,0,0|0,0,1]=3 81 B12R1.112 CCOc1ccc(cc1OC)C CSC000006307 [1,1,0,0,0,0|0,0,1]=3 82 B12R1.121 CCCOc1ccccc1SC CSC010368029 [1,1,0,0,0,0|0,1,1]=4 83 B12R1.121 CCCSc1ccccc1OC CSC000055745 [1,1,0,0,0,0|0,1,1]=4 84 B12R1.121 CCNCc1ccccc1OC CSC000186928 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.121 CCSCc1ccccc1OC CSC000044553 [1,1,0,0,0,0|0,1,1]=4 86 B12R1.121 COc1ccccc1OCC=C CSC000006401 [1,1,0,0,0,0|0,0,1]=3 87 B12R1.121 COc1ccccc1OCCO CSC011305853 [1,1,0,0,0,0|0,0,1]=3 88 B12R1.121 COc1ccccc1SCC=C CSC000055742 [1,1,0,0,0,0|0,1,1]=4 89 B12R1.121 COc1ccccc1SCCO CSC011448452 [1,1,0,0,0,0|0,1,1]=4 90 B12R1.169 CCNc1ccccc1OCC CSC000221050 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.169 CCOc1ccccc1CC=C CSC011198606 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.169 CCOc1ccccc1CCO CSC011754905 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.169 CCOc1ccccc1OCC CSC000170581 [1,1,0,0,0,0|0,0,1]=3 94 B12R1.268 CCNc1cc(ccc1OC)C CSC000220794 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.268 CCNc1cc(ccc1OC)Cl CSC000220280 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.268 CCOc1cc(ccc1OC)Br CSC010219349 [1,1,0,0,0,0|0,0,1]=3 97 B12R1.124 CN(C(=O)C)c1ccccc1C CSC012109126 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.127 CC(=O)Nc1cc(ccc1Br)Br CSC011252870 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.127 CC(=O)Nc1cc(ccc1Br)Cl CSC012362533 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.127 CC(=O)Nc1cc(ccc1C)Br CSC011344836 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.127 CC(=O)Nc1cc(ccc1C)C CSC000152684 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.127 CC(=O)Nc1cc(ccc1C)F CSC000155779 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.127 CC(=O)Nc1cc(ccc1C)N CSC000740626 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.127 CC(=O)Nc1cc(ccc1F)Br CSC011951791 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.127 CC(=O)Nc1cc(ccc1F)F CSC000155522 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.127 CC(=O)Nc1cc(ccc1O)Br CSC010005742 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.127 CC(=O)Nc1cc(ccc1O)C CSC000035807 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl CSC000012038 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.127 CC(=O)Oc1cc(ccc1C)C CSC000002421 [1,1,0,0,0,0|0,0,0]=2 110 B12R1.127 Cc1ccc(c(c1)CC(=O)N)C CSC011694954 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.127 Cc1ccc(cc1NC(=O)N)Cl CSC000238962 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.151 CS(=O)(=O)Nc1ccccc1O CSC000165779 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.151 Cc1ccccc1NS(=O)(=O)C CSC000165619 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.224 CC(=O)Nc1cccc(c1C)Br CSC011775766 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.224 CC(=O)Nc1cccc(c1C)C CSC000153689 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.224 CC(=O)Nc1cccc(c1C)N CSC000736503 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.224 CC(=O)Nc1cccc(c1Cl)Cl CSC000155691 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.224 CC(=O)Nc1cccc(c1F)Cl CSC000152519 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.224 CC(=O)Nc1cccc(c1O)Cl CSC000117800 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.224 Cc1c(cccc1NC(=O)N)Cl CSC000238989 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br CSC000151919 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl CSC012022070 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.233 CC(=O)Nc1ccc(cc1Br)F CSC011215554 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl CSC000154214 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br CSC000154779 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl CSC000154243 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F CSC000155642 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.233 CC(=O)Nc1ccc(cc1F)C CSC000152019 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl CSC000155771 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.233 CC(=O)Nc1ccc(cc1F)F CSC000155514 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.233 CC(=O)Nc1ccc(cc1F)I CSC000027682 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.233 CC(=O)Nc1ccc(cc1O)Cl CSC010293595 [1,1,0,0,0,0|1,0,0]=3 133 B12R1.233 CC(=O)Nc1ncc(cc1C)Br CSC011934169 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.233 CC(=O)Nc1ncc(cc1C)Cl CSC009862376 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.233 CC(=O)Nc1ncc(cc1C)I CSC000012997 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.233 Cc1cc(ccc1NC(=O)N)Cl CSC011226012 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.233 Cc1cc(ccc1NC(=O)N)F CSC000239003 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.371 CCC(=O)Nc1ccccc1Br CSC000153536 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.371 CCC(=O)Nc1ccccc1C CSC000153667 [1,1,0,0,0,0|1,0,0]=3 140 B12R1.371 CCC(=O)Nc1ccccc1Cl CSC000153746 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.371 CCC(=O)Nc1ccccc1F CSC000154229 [1,1,0,0,0,0|2,0,0]=4 142 B12R1.371 CCC(=O)Nc1ccccc1I CSC000154056 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.371 CCC(=O)Oc1ccccc1Cl CSC000001856 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.371 CNC(=O)Cc1ccccc1Br CSC009816160 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.371 CNC(=O)Cc1ccccc1C CSC000175625 [1,1,0,0,0,0|1,0,0]=3 146 B12R1.371 CNC(=O)Cc1ccccc1Cl CSC000159959 [1,1,0,0,0,0|2,0,0]=4 147 B12R1.371 CNC(=O)Cc1ccccc1F CSC000159918 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.371 CNC(=O)Cc1ccccc1N CSC000738506 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.371 CNC(=O)Nc1ccccc1C CSC000235315 [1,1,0,0,0,0|1,0,0]=3 150 B12R1.371 CNC(=O)Nc1ccccc1Cl CSC000178583 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.371 CNC(=O)Nc1ncccc1C CSC000048767 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.371 COC(=O)Cc1ccccc1Br CSC000699816 [1,1,0,0,0,0|2,0,0]=4 153 B12R1.371 COC(=O)Cc1ccccc1C CSC000175439 [1,1,0,0,0,0|1,0,0]=3 154 B12R1.371 COC(=O)Cc1ccccc1F CSC000149365 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.371 COC(=O)Cc1ccccc1O CSC000758901 [1,1,0,0,0,0|1,0,0]=3 156 B12R1.371 Cc1ccccc1CC(=O)NN CSC000190038 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.371 Cc1ccccc1CC(=O)NO CSC000190267 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.371 Cc1ccccc1NC(=O)CN CSC000168393 [1,1,0,0,0,0|1,0,0]=3 159 B12R1.371 NCC(=O)Nc1ccccc1Cl CSC000168390 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.371 NCC(=O)Nc1ccccc1F CSC000168463 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.1009 CC(=O)Nc1c(cccc1C)C CSC000152485 [1,1,0,0,0,0|1,0,0]=3 162 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C CSC011996691 [1,1,0,0,0,0|1,0,0]=3 163 B12R1.1009 CC(=O)Nc1c(cccc1Cl)F CSC012243075 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.1009 CC(=O)Nc1c(cccc1F)F CSC000155699 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.1009 CC(=O)Nc1c(cccc1O)C CSC000103797 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.1009 CC(=O)Oc1c(cccc1C)C CSC000001954 [1,1,0,0,0,0|0,0,0]=2 167 B12R1.1009 CC(=O)Oc1c(cccc1Cl)Cl CSC000002155 [1,1,0,0,0,0|1,0,0]=3 168 B12R1.1009 Cc1cccc(c1NC(=O)N)C CSC011196911 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.1009 Cc1cccc(c1NC(=O)N)Cl CSC012184704 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.46 CNc1ccc(cc1C(=O)N)Cl CSC011619361 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [0,1,0,0,1,0|0,0,0]=2 172 B12R1.46 COc1ccc(cc1C(=O)N)Br CSC000215694 [0,1,0,0,1,0|1,0,0]=3 173 B12R1.46 COc1ccc(cc1C(=O)N)Cl CSC000162310 [0,1,0,0,1,0|1,0,0]=3 174 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br CSC000176053 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C CSC000016935 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl CSC000156018 [0,1,0,0,1,0|2,0,0]=4 177 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F CSC000002536 [0,1,0,0,1,0|2,0,0]=4 178 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I CSC011290888 [0,1,0,0,1,0|2,0,0]=4 179 B12R1.57 COc1cc(ccc1C(=O)C)Br CSC000709911 [0,1,0,0,1,0|0,0,0]=2 180 B12R1.57 COc1cc(ccc1C(=O)N)C CSC000026189 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.57 COc1cc(ccc1C(=O)N)Cl CSC011533113 [0,1,0,0,1,0|1,0,0]=3 182 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br CSC009817168 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl CSC000707587 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F CSC000170614 [0,1,0,0,1,0|2,0,0]=4 185 B12R1.76 COc1ccccc1S(=O)(=O)C CSC000021672 [0,1,0,0,1,0|1,0,0]=3 186 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br CSC009817060 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl CSC000034333 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.87 COc1c(cccc1[N+](=O)[O-])F CSC000068278 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.437 COc1cccc(c1C(=O)N)F CSC011218308 [0,1,0,0,1,0|1,0,0]=3 190 B12R1.437 COc1cccc(c1[N+](=O)[O-])C CSC000031773 [0,1,0,0,1,0|2,0,0]=4 191 B14R1.482 CCOc1ccccc1CNC(=O)C CSC000054356 [0,1,0,0,0,1|1,0,0]=3 192 B14R1.482 CCOc1ccccc1CNC(=O)N CSC044616335 [0,1,0,0,0,1|2,0,0]=4 193 B14R1.840 COc1ccccc1C(C)NC(=O)C CSC000152423 [0,1,0,0,0,1|1,0,0]=3 194 B14R1.840 COc1ccccc1N(C)CC(=O)O CSC011584997 [0,1,0,0,0,1|2,0,0]=4 195 B14R1.863 CCC(=O)NCc1ccccc1OC CSC000152211 [0,1,0,0,0,1|1,0,0]=3 196 B14R1.863 CNC(=O)NCc1ccccc1OC CSC000235235 [0,1,0,0,0,1|1,0,0]=3 197 B14R1.863 COC(=O)CNc1ccccc1OC CSC000219752 [0,1,0,0,0,1|1,0,0]=3 198 B14R1.863 COC(=O)COc1ccccc1C#N CSC000149932 [0,1,0,0,0,1|2,0,0]=4 199 B14R1.863 COC(=O)COc1ccccc1OC CSC000149912 [0,1,0,0,0,1|0,0,0]=2 200 B14R1.863 COC(=O)CSc1ccccc1OC CSC011448375 [0,1,0,0,0,1|0,1,0]=3 201 B14R1.863 COc1ccccc1CCC(=O)NN CSC000189975 [0,1,0,0,0,1|2,0,0]=4 202 B14R1.863 COc1ccccc1CNC(=O)CN CSC000168382 [0,1,0,0,0,1|1,0,0]=3 203 B14R1.1600 CCc1cc(ccc1NNC(=O)C)Br CSC021288659 [0,1,0,0,0,1|2,0,0]=4 204 B14R1.1600 COc1cc(ccc1OCC(C)C)Br CSC012344573 [0,1,0,0,0,1|1,0,1]=4 205 B14R1.3135 COc1ccccc1CN(C)C(=O)C CSC000155280 [0,1,0,0,0,1|1,0,0]=3 206 B14R1.3135 COc1ccccc1NC(=O)C(=O)N CSC000013240 [0,1,0,0,0,1|2,0,0]=4 207 B14R1.3135 COc1ccccc1NC(=O)C(=O)O CSC011297187 [0,1,0,0,0,1|2,0,0]=4 208 B14R1.3135 COc1ccccc1OC(=O)C(C)C CSC000002002 [0,1,0,0,0,1|1,0,1]=4 209 B14R1.4522 CC(=O)COc1ccccc1[N+](=O)[O-] CSC000150660 [0,1,0,0,0,1|2,0,0]=4 210 B14R1.4522 CC(=O)c1ccccc1OCC(=O)N CSC000150746 [0,1,0,0,0,1|2,0,0]=4 211 B14R1.4522 CC(C)c1ccccc1OCC(=O)N CSC000151210 [0,1,0,0,0,1|2,0,0]=4 212 B14R1.101 COc1ccc(c(c1)OC)NC(=O)C CSC000152217 [0,2,0,0,0,0|1,0,0]=3 213 B14R1.101 COc1ccc(c(c1)OC)NC(=O)N CSC000239056 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.3417 CCC(=O)Nc1ccc(cc1CC)Br CSC012844552 [0,2,0,0,0,0|2,0,0]=4 215 B14R1.3417 CCc1cc(ccc1NC(=O)CN)Br CSC012883707 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.6074 CC(=O)Nc1ccc(cc1C(=O)C)Br CSC009813165 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.483 CCOc1ccccc1NC(=O)CC CSC000152245 [0,2,0,0,0,0|1,0,0]=3 218 B14R1.483 CCOc1ccccc1NC(=O)CN CSC000168411 [0,2,0,0,0,0|1,0,0]=3 219 B14R1.965 CCCC(=O)Nc1ccccc1CC CSC000154701 [0,2,0,0,0,0|2,0,0]=4 220 B14R1.965 CCCC(=O)Nc1ccccc1OC CSC000153684 [0,2,0,0,0,0|1,0,0]=3 221 B14R1.965 CCCC(=O)Nc1ccccc1SC CSC000151976 [0,2,0,0,0,0|1,1,0]=4 222 B14R1.965 CCCC(=O)Oc1ccccc1OC CSC000002004 [0,2,0,0,0,0|0,0,0]=2 223 B14R1.965 CCNC(=O)Nc1ccccc1CC CSC000163033 [0,2,0,0,0,0|2,0,0]=4 224 B14R1.965 CCNC(=O)Nc1ccccc1OC CSC000163312 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.965 CCNC(=O)Nc1ccccc1SC CSC000163676 [0,2,0,0,0,0|1,1,0]=4 226 B14R1.965 CCOC(=O)Cc1ccccc1OC CSC000171726 [0,2,0,0,0,0|1,0,0]=3 227 B14R1.965 CCc1ccccc1NC(=O)CC#N CSC000185881 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.965 CCc1ccccc1NC(=O)CCN CSC011195663 [0,2,0,0,0,0|2,0,0]=4 229 B14R1.965 CCc1ccccc1NC(=O)COC CSC011198734 [0,2,0,0,0,0|2,0,0]=4 230 B14R1.965 CNCC(=O)Nc1ccccc1OC CSC000168100 [0,2,0,0,0,0|1,0,0]=3 231 B14R1.965 COCC(=O)Nc1ccccc1SC CSC011198419 [0,2,0,0,0,0|1,1,0]=4 232 B14R1.965 COc1ccccc1NC(=O)CCN CSC011202971 [0,2,0,0,0,0|1,0,0]=3 233 B14R1.965 CSc1ccccc1NC(=O)CCN CSC011336170 [0,2,0,0,0,0|1,1,0]=4 234 B14R1.2178 CCC(=O)Nc1c(cccc1CC)C CSC000153989 [0,2,0,0,0,0|2,0,0]=4 235 B14R1.2178 CCc1cccc(c1NC(=O)NC)C CSC011257046 [0,2,0,0,0,0|2,0,0]=4 236 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)C CSC000155819 [0,2,0,0,0,0|1,0,0]=3 237 B14R1.3279 CCC(=O)Nc1cc(ccc1OC)Cl CSC000154127 [0,2,0,0,0,0|1,0,0]=3 238 B14R1.3279 CNC(=O)Nc1cc(ccc1OC)C CSC000235260 [0,2,0,0,0,0|1,0,0]=3 239 B14R1.3279 COC(=O)Cc1cc(ccc1OC)C CSC000204419 [0,2,0,0,0,0|1,0,0]=3 240 B14R1.3279 COC(=O)Cc1cc(ccc1OC)Cl CSC000216674 [0,2,0,0,0,0|1,0,0]=3 241 B14R1.3279 COc1ccc(cc1CC(=O)NN)C CSC000203931 [0,2,0,0,0,0|2,0,0]=4 242 B14R1.3279 COc1ccc(cc1NC(=O)CN)Cl CSC000168465 [0,2,0,0,0,0|1,0,0]=3 243 B14R1.3302 CC(C)c1ccccc1NC(=O)CN CSC000168432 [0,2,0,0,0,0|2,0,0]=4 244 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C CSC000155376 [0,2,0,0,0,0|2,0,0]=4 245 B14R1.3995 CNC(=O)Nc1cccc(c1OC)Cl CSC000054432 [0,2,0,0,0,0|1,0,0]=3 246 B14R1.262 CCOc1ccccc1NS(=O)(=O)C CSC000165933 [0,2,0,0,0,0|2,0,0]=4 247 B14R1.744 CCC(=O)c1ccccc1NC(=O)C CSC009861000 [0,2,0,0,0,0|2,0,0]=4 248 B14R1.744 COC(=O)c1ccccc1OC(=O)C CSC000001831 [0,2,0,0,0,0|0,0,0]=2 249 B14R1.786 CC(=O)Nc1ccccc1OCC#N CSC000169450 [0,2,0,0,0,0|1,0,0]=3 250 B14R1.786 CC(=O)Nc1ccccc1OCC=C CSC000006408 [0,2,0,0,0,0|1,0,0]=3 251 B14R1.786 CCCOc1ccccc1NC(=O)C CSC000152533 [0,2,0,0,0,0|1,0,0]=3 252 B14R1.814 CC(=O)Nc1ccccc1OC(=O)C CSC000030220 [0,2,0,0,0,0|1,0,0]=3 253 B14R1.814 CC(=O)Nc1ccccc1OC(F)F CSC000152499 [0,2,0,0,0,0|1,0,0]=3 254 B14R1.814 CC(C)Sc1ccccc1NC(=O)C CSC010141668 [0,2,0,0,0,0|1,1,0]=4 255 B14R1.164 CC(=O)Oc1cc(ccc1[N+](=O)[O-])F CSC000001394 [0,2,0,0,0,0|2,0,0]=4 256 B14R1.815 CC(=O)Nc1ccccc1C(C)(C)C CSC000151894 [0,2,0,0,0,0|2,0,0]=4 257 B14R1.815 CC(=O)Nc1ccccc1S(=O)(=O)C CSC000243491 [0,2,0,0,0,0|1,1,0]=4 258 B14R1.4894 CC(C)c1cccc(c1NC(=O)C)C CSC000151886 [0,2,0,0,0,0|2,0,0]=4 259 B14R1.1866 COc1ccc(cc1NS(=O)(=O)C)C CSC000165894 [0,2,0,0,0,0|2,0,0]=4 260 B14R1.1866 COc1ccc(cc1NS(=O)(=O)C)Cl CSC000165677 [0,2,0,0,0,0|2,0,0]=4 261 B14R1.2180 CCc1cccc(c1NC(=O)C)CC CSC000152304 [0,2,0,0,0,0|2,0,0]=4 262 B14R1.3723 COc1ccc(c(c1)CC(=O)N)OC CSC000020830 [0,2,0,0,0,0|2,0,0]=4 263 B14R1.3723 COc1ccc(c(c1)NC(=O)C)OC CSC000155823 [0,2,0,0,0,0|1,0,0]=3 264 B14R1.3723 COc1ccc(c(c1)NC(=O)N)OC CSC000239058 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.19 CC(=O)Oc1ccc(c(c1)C)C CSC000002428 [0,0,1,1,0,0|1,0,1]=4 266 B12R1.125 CC(=O)OCc1ccccc1C CSC000000619 [0,0,1,1,0,0|1,0,1]=4 267 B12R2.18 Cn1c2ccccc2oc1=O CSC000171226 [1,0,0,1,0,0|1,0,0]=3 268 B14R2.2 CC(=O)OC1CCc2c1nccc2 CSC000717517 [0,0,0,1,0,1|2,0,0]=4 269 B14R2.450 Cc1c(oc2c1cccc2)C(=O)N CSC000192827 [0,0,0,1,0,1|2,0,0]=4 270 B14R2.781 CC(=O)N1CCc2ccccc2C1 CSC000152829 [0,0,0,1,0,1|2,0,0]=4 271 B14R2.781 NC(=O)C1CCc2ccccc2O1 CSC009954463 [0,0,0,1,0,1|2,0,0]=4 272 B14R2.1073 COc1cccc2c1ccc(n2)C CSC000700385 [0,0,0,1,0,1|2,0,0]=4 273 B14R2.300 CC(=O)N1CCc2c1ccc(c2)Br CSC000215927 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.300 CC(=O)N1CCc2c1ccc(c2)Cl CSC009880531 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.31359 CC(=O)N1CCCc2c1cccc2 CSC000152744 [0,1,0,1,0,0|2,0,0]=4 276 B14R2.31359 CC(=O)N1CCOc2c1cccc2 CSC011242855 [0,1,0,1,0,0|1,0,0]=3 277 B14R2.95 CCC(=O)N1CCc2c1cccc2 CSC000155369 [0,1,0,1,0,0|2,0,0]=4 278 B14R2.95 COC(=O)N1CCc2c1cccc2 CSC000186239 [0,1,0,1,0,0|2,0,0]=4 279 B14R2.95 COC(=O)c1coc2c1cccc2 CSC011990792 [0,1,0,1,0,0|1,0,1]=4 280 B14R2.95 OCC(=O)N1CCc2c1cccc2 CSC000749168 [0,1,0,1,0,0|2,0,0]=4 281 B14R2.11684 COc1cccc2c1nc(cc2)C CSC000006617 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.8032 CC(=O)N1CCc2c1cccc2Cl CSC009867087 [0,1,0,1,0,0|2,0,0]=4 283 B14R2.9440 CC(=O)Nc1cccc2c1non2 CSC010273276 [0,1,0,1,0,0|2,0,0]=4 284 B14R2.9440 CC(=O)Oc1cccc2c1cc[nH]2 CSC000042529 [0,1,0,1,0,0|1,0,1]=4 285 B14R2.642 CC1Cc2ccccc2N1C(=O)C CSC000152737 [0,1,0,1,0,0|2,0,0]=4 286 B14R2.5816 CC(=O)N1CCc2c1cc(cc2)Br CSC009817278 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.5816 CC(=O)N1CCc2c1cc(cc2)Cl CSC000057073 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [1,0,0,0,1,0|2,0,0]=4 289 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [1,0,0,0,1,0|2,0,0]=4 290 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [1,0,0,0,1,0|2,0,0]=4 291 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [1,0,0,0,1,0|2,0,0]=4 292 B10R1.39 COc1ccsc1C(=O)N CSC000752662 [0,0,0,0,2,0|2,0,0]=4 293 B14R1.96 COc1ccccc1CCNC(=O)N CSC000238998 [0,0,0,0,0,2|2,0,0]=4 294 B14R1.96 COc1ccccc1SCCC(=O)N CSC011538092 [0,0,0,0,0,2|1,1,0]=4