0 B11R1.20 CC(=O)Nc1ccc(=O)[nH]c1 DA-42482 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.20 CC(=O)Nc1ccc(cn1)Cl DA-42408 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.20 CC(=O)Nc1ncc(cn1)Cl DA-41708 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.20 CC(C)Oc1ccc(cn1)O DA-36101 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.20 CC(C)Oc1ccc(nc1)Br DA-26780 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.20 CC(C)Oc1ccc(nc1)Cl DA-26460 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.20 CC(C)Oc1ccc(nc1)N DA-37253 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.20 c1cc(ncc1CC(=O)N)Cl DA-27982 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.20 c1cc(ncc1I)CC(=O)O DA-37279 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.1 CCOc1ccc(cn1)O DA-26280 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.1 Cc1ccc(cn1)CNC DA-47190 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.1 c1cc(ccc1N)OCF DA-45699 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 c1cc(ncc1Br)NC=O DA-45228 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.4 CC(=C)Cc1ccc(cc1)SC DA-31347 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.4 CC(=N)Nc1ccc(cc1)OC DA-44929 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.4 CC(=O)Nc1ccc(cn1)C=O DA-44180 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.4 CC(C)Oc1ccc(cc1)C#N DA-39283 [0,1,0,0,0,0|1,0,2]=4 19 B12R1.4 CC(C)Oc1ccc(cn1)CCl DA-38440 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.19 CC(C)Oc1ccc(c(c1)F)Br DA-29679 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.19 Cc1cc(ccc1Cl)CC(=O)O DA-39637 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.19 Cc1cc(ccc1N)CC(=O)O DA-21426 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)N DA-21355 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.20 CC(c1ccc(cc1)N)C(=O)O DA-28321 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.20 CC(c1ccc(cc1)O)C(=O)O DA-28162 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.20 c1cc(ccc1C(=O)C(=O)O)Br DA-28287 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.49 CCC(C)Oc1ccc(cc1)I DA-29298 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.49 CNC(=O)Cc1ccc(cc1)N DA-21370 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.49 COC(=O)Nc1ccc(cc1)N DA-32505 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.49 COC(=O)Nc1ccc(cn1)Br DA-32345 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)N DA-21767 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.106 CS(=O)(=O)N=C1C=CC(=O)C=C1 DA-41544 [0,1,0,0,0,0|3,0,0]=4 33 B12R1.106 Cc1ccc(cc1)NS(=O)(=O)N DA-43935 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.233 CC(=O)Nc1c(cc(cn1)Cl)Cl DA-41835 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O DA-21511 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.233 CC(C)Oc1ccc(cc1Br)I DA-26840 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.233 CC(C)Oc1ccc(cc1Cl)Br DA-39950 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.233 CC(C)Oc1ccc(cc1Cl)N DA-48509 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.233 Cc1cc(ccc1CC(=O)O)Br DA-39918 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.233 Cc1cc(ccc1NC(=O)C)F DA-42796 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.233 Cc1cc(ccc1OC(C)C)I DA-39314 [0,1,0,0,0,0|2,0,1]=4 42 B12R2.294 c1cc(ccc1OC2CC2)Br DA-29630 [0,0,0,1,0,0|2,0,1]=4 43 B12R2.606 C1C(=O)N=C2N1C=C(C=C2)Br DA-36401 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.606 CC1Cc2cc(ccc2O1)N DA-27553 [0,0,0,1,0,0|2,0,1]=4 45 B12R2.606 Cc1cc2cc(ccc2o1)Cl DA-37556 [0,0,0,1,0,0|2,0,0]=3 46 B12R2.606 Cc1cc2ccc(cc2[nH]1)Br DA-36478 [0,0,0,1,0,0|3,0,0]=4 47 B12R2.606 Cc1ccc2c(c1)oc(n2)N DA-36025 [0,0,0,1,0,0|2,0,1]=4 48 B12R2.606 c1c(cnc2c1CC(=O)N2)N DA-38070 [0,0,0,1,0,0|3,0,0]=4 49 B12R2.606 c1cc(nc2c1NC(=O)C2)Br DA-37934 [0,0,0,1,0,0|3,0,0]=4 50 B12R2.606 c1cc2c(cc1I)oc(=O)[nH]2 DA-36111 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.13 CC(=C)c1ccc(nc1)Br DA-26820 [0,0,0,0,1,0|3,0,0]=4 52 B10R1.13 CC(=O)c1ccc(cn1)N DA-30880 [0,0,0,0,1,0|2,0,0]=3 53 B10R1.13 CC(=O)c1ccc(nn1)Cl DA-43261 [0,0,0,0,1,0|3,0,0]=4 54 B10R1.13 CC(c1ccc(cc1)Br)Cl DA-29650 [0,0,0,0,1,0|2,0,1]=4 55 B10R1.13 CS(=O)c1ccc(cc1)N DA-22158 [0,0,0,0,1,0|2,0,0]=3 56 B10R1.13 Cc1ccc(cc1)S(=O)C DA-31695 [0,0,0,0,1,0|1,0,0]=2 57 B10R1.13 Cc1ccc(nn1)C(=O)C DA-40581 [0,0,0,0,1,0|2,0,0]=3 58 B10R1.13 Cc1cnc(cn1)C(=O)Cl DA-37121 [0,0,0,0,1,0|3,0,0]=4 59 B12R1.21 CC(=O)CCc1ccc(cc1)Cl DA-22547 [0,0,0,0,0,1|2,0,0]=3 60 B12R1.21 CC(=O)NCc1ccc(cc1)Br DA-40688 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.1 COCOc1ccc(cc1)I DA-29297 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.1 Cc1ccc(cc1)C=CCBr DA-31249 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.1 c1cc(ccc1C=CCBr)Cl DA-31250 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.1 c1cc(ccc1OCC=O)Cl DA-28223 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.1 c1cc(ccc1OCCN)Br DA-28297 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.81 C=COc1ccc(cc1Cl)Br DA-39952 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.81 CCNc1ccc(cc1N)C DA-47718 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.81 CCOc1ccc(cc1N)C DA-26279 [1,1,0,0,0,0|0,0,1]=3 69 B11R1.81 CCOc1ccc(cc1N)Cl DA-37570 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.81 Cc1ccc(c(c1)C)CNC DA-41403 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.83 CCSc1ccc(cc1)CCl DA-30671 [1,1,0,0,0,0|0,1,1]=4 72 B11R1.192 CCOc1ccc(c(c1)Br)O DA-26850 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.192 CCOc1ccc(c(c1)Cl)O DA-26576 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.192 CCOc1ccc(c(c1)F)Cl DA-29551 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.86 CC(=C)Cc1ccccc1O DA-28587 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.86 CC(=O)Oc1cnccc1I DA-24380 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.86 Cc1ccccc1NC(=N)C DA-42654 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.157 CC(=O)Cc1cc(ccn1)Cl DA-40659 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.157 CC(=O)Nc1cc(ccn1)Br DA-48278 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.157 CC(C)Oc1cccc(c1)O DA-23494 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.3 CC(=C)c1ccc(cn1)OC DA-47451 [0,1,0,0,1,0|2,0,0]=4 82 B11R1.3 CC(=O)c1ccc(cc1)CCl DA-29902 [0,1,0,0,1,0|0,0,0]=2 83 B11R1.3 CC(=O)c1ccc(cc1)CO DA-31115 [0,1,0,0,1,0|0,0,0]=2 84 B11R1.3 CC(=O)c1ccc(nc1)C=O DA-38113 [0,1,0,0,1,0|1,0,1]=4 85 B11R1.3 CC(=O)c1ccc(nc1)NC DA-29877 [0,1,0,0,1,0|1,0,0]=3 86 B11R1.3 CCc1ccc(nc1)C(=O)C DA-42902 [0,1,0,0,1,0|1,0,0]=3 87 B11R1.3 COc1ccc(cn1)C(=O)Cl DA-36048 [0,1,0,0,1,0|2,0,0]=4 88 B11R1.3 CS(=O)c1ccc(cc1)CCl DA-30669 [0,1,0,0,1,0|1,0,0]=3 89 B11R1.21 CC(=O)c1ccc(c(c1)O)Br DA-31072 [0,1,0,0,1,0|1,0,0]=3 90 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl DA-23359 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.21 Cc1ccc(cc1C)C(C)Br DA-23026 [0,1,0,0,1,0|1,0,1]=4 92 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)O DA-24017 [0,1,0,0,1,0|2,0,0]=4 93 B11R1.21 c1cc(c(cc1C(=O)N)Cl)O DA-23797 [0,1,0,0,1,0|2,0,0]=4 94 B11R1.21 c1cc(c(cc1C(=O)N)O)N DA-21337 [0,1,0,0,1,0|2,0,0]=4 95 B11R1.21 c1cc(c(cc1C(=O)[O-])O)O DA-40560 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.166 CS(=O)c1ccc(cc1N)Cl DA-37598 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.166 Cc1cc(c(cn1)C(=O)Cl)Cl DA-39565 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.166 Cc1ccc(c(c1)Br)[N+](=O)[O-] DA-26836 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.166 Cc1ccc(c(n1)C)C(=O)C DA-31522 [0,1,0,0,1,0|1,0,0]=3 100 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N DA-26570 [0,1,0,0,1,0|2,0,0]=4 101 B13R1.3 CC(=O)CCc1ccc(cc1)C#N DA-22666 [0,1,0,0,0,1|1,0,1]=4 102 B13R1.3 CSc1ccc(cc1)CCC(=O)O DA-22148 [0,1,0,0,0,1|2,0,0]=4 103 B13R1.14 COC(=O)C#Cc1ccc(cc1)Br DA-32857 [0,1,0,0,0,1|2,0,0]=4 104 B13R1.14 COC(=O)COc1ccc(cc1)I DA-33172 [0,1,0,0,0,1|1,0,0]=3 105 B13R1.14 COC(=O)COc1ccc(cc1)N DA-33195 [0,1,0,0,0,1|1,0,0]=3 106 B13R1.14 COC(=O)COc1ccc(cn1)Br DA-33152 [0,1,0,0,0,1|2,0,0]=4 107 B13R1.14 COC(=O)COc1ccc(nc1)Br DA-33145 [0,1,0,0,0,1|2,0,0]=4 108 B13R1.14 COC(=O)NCc1ccc(cc1)N DA-32507 [0,1,0,0,0,1|2,0,0]=4 109 B13R1.133 CC(=O)C(Cc1ccc(cc1)Cl)Br DA-24040 [0,1,0,0,0,1|2,0,0]=4 110 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl DA-22751 [0,1,0,0,0,1|2,0,0]=4 111 B13R1.511 c1cc(c(cc1OCC(=O)O)Cl)N DA-28331 [0,1,0,0,0,1|2,0,0]=4 112 B13R1.4 CS(=O)(=O)Nc1ccc(cc1)CO DA-41386 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.35 CC(=O)Oc1ccc(c(c1)Cl)CBr DA-26743 [0,2,0,0,0,0|0,0,0]=2 114 B13R1.35 CC(C)Oc1ccc(c(c1)Cl)CO DA-32120 [0,2,0,0,0,0|1,0,1]=4 115 B13R1.35 Cc1cc(ccc1C#N)NC(=O)C DA-21512 [0,2,0,0,0,0|1,0,1]=4 116 B13R1.35 Cc1cc(ccc1SC)CC(=C)C DA-25898 [0,2,0,0,0,0|2,0,0]=4 117 B13R1.142 c1cc(ccc1CCBr)CC(=O)O DA-22879 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.585 CS(=O)c1ccc(cc1)CC(=O)O DA-22157 [0,2,0,0,0,0|2,0,0]=4 119 B13R1.653 CC(C)Oc1ccc(cc1Cl)CBr DA-22308 [0,2,0,0,0,0|1,0,1]=4 120 B13R1.876 CC(=O)Nc1cc(c(cc1Br)F)Cl DA-41157 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.876 Cc1cc(c(cc1Cl)NC(=O)C)Br DA-47705 [0,2,0,0,0,0|1,0,0]=3 122 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)F DA-43098 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.2879 COC(=O)Cc1ccc(c(c1)I)O DA-33174 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.3763 Cc1c(cc(cc1Br)OC(C)C)Br DA-43695 [0,2,0,0,0,0|1,0,1]=4 125 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Cl DA-25179 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.19 CCOC(=O)Cc1ccc(nc1)C DA-34444 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.159 Cc1cccc(c1Br)C(=O)C DA-31493 [0,0,1,1,0,0|2,0,0]=4 128 B11R2.10 c1cc2c(nc1)sc(=O)o2 DA-30242 [1,0,0,1,0,0|2,0,0]=4 129 B11R2.10 c1cncc2c1[nH]c(=O)o2 DA-41700 [1,0,0,1,0,0|2,0,0]=4 130 B11R2.10 c1cncc2c1oc(=O)[nH]2 DA-42001 [1,0,0,1,0,0|2,0,0]=4 131 B13R2.155 Cc1ccc2c(c1)NC(=O)CC2 DA-24699 [0,0,0,1,0,1|2,0,0]=4 132 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 DA-36965 [0,0,0,1,0,1|1,0,0]=3 133 B13R2.2121 Cc1nc2cc(ccc2o1)C=O DA-28911 [0,1,0,1,0,0|1,0,1]=4 134 B13R2.2121 Cc1nc2ccc(cc2o1)CO DA-25818 [0,1,0,1,0,0|1,0,1]=4 135 B13R2.2121 c1cc2c(cc1C=O)[nH]c(=O)o2 DA-27416 [0,1,0,1,0,0|1,0,1]=4 136 B13R2.13083 Cc1nc2cc(c(cc2o1)F)N DA-36153 [0,1,0,1,0,0|2,0,0]=4 137 B13R2.5190 c1cc2c(cc1Cl)CC(=O)C2=O DA-37634 [0,1,0,1,0,0|2,0,0]=4 138 B13R2.5190 c1cc2c(cc1O)CC(=O)C2=O DA-37304 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.43 CCc1cc2cc(ccc2[nH]1)C DA-26232 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.43 COc1nc2cc(ccc2o1)N DA-25994 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.43 Cc1ccc2c(c1)cc([nH]2)CO DA-37155 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.3028 Cc1c(oc2c1cc(cc2)N)C DA-27351 [0,1,0,1,0,0|2,0,0]=4 143 B13R2.3028 Cc1ccc2c(c1)C(=O)N(C2)C DA-27424 [0,1,0,1,0,0|2,0,0]=4 144 B13R2.3683 c1cc(=O)oc2c1cc(cc2)Cl DA-36326 [0,1,0,1,0,0|1,0,1]=4 145 B13R2.3683 c1cc2c(cc1Br)CCC(=O)O2 DA-36403 [0,1,0,1,0,0|1,0,0]=3 146 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)O2 DA-36253 [0,1,0,1,0,0|1,0,0]=3 147 B13R2.3683 c1cc2c(cc1N)CNC(=O)C2 DA-35841 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.3683 c1cc2c(cc1O)CNC(=O)C2 DA-35645 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.3683 c1cc2c(cc1O)CNC(=O)N2 DA-40207 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.35 CC(=O)c1cc(sc1)Br DA-30857 [0,0,0,0,2,0|2,0,0]=4 151 B9R1.35 Cc1cc(oc1)C(=O)O DA-39140 [0,0,0,0,2,0|2,0,0]=4 152 B11R1.91 CC(=CCc1ccccc1)C DA-32020 [1,0,0,0,0,1|2,0,0]=4 153 B11R1.91 CC(=O)CCc1ccncc1 DA-22457 [1,0,0,0,0,1|2,0,0]=4 154 B11R1.91 c1cc(cnc1)OCC(=O)N DA-40394 [1,0,0,0,0,1|2,0,0]=4 155 B11R1.91 c1ccc(cc1)CNC(=O)Cl DA-35039 [1,0,0,0,0,1|2,0,0]=4 156 B13R1.513 c1cc(ccc1OCCC(=O)O)Br DA-25207 [0,0,0,0,0,2|2,0,0]=4