0 B11R1.83 CCSc1ccc(cc1)CCl DA-30671 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.83 CCc1ccc(nc1)CCCl DA-28650 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.83 COc1ccc(cc1)CCBr DA-31453 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.83 COc1ccc(cc1)CNN DA-39196 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.83 COc1ccc(cc1)CNO DA-42249 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.83 COc1ccc(cn1)CC#N DA-36075 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.83 c1cc(ccc1CCBr)CO DA-22878 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.83 c1cc(ccc1CCCl)CO DA-22852 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.1 C#CCc1ccc(cc1)F DA-29379 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.1 CCCc1ccc(cn1)Br DA-37809 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.1 CCNc1ccc(cn1)N DA-42218 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.1 CCNc1ccc(nc1)N DA-48356 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.1 CCOc1ccc(cn1)O DA-26280 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.1 CNCc1ccc(nc1)Cl DA-47192 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.1 COCc1ccc(cn1)Br DA-37882 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.1 COCc1ccc(cn1)Cl DA-37599 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.1 Cc1ccc(cn1)CCBr DA-38792 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.1 Cc1ccc(cn1)CCCl DA-38785 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.1 Cc1ccc(cn1)CNC DA-47190 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.1 Cc1ccc(nc1)CCO DA-37120 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.1 c1cc(ccc1CCCl)I DA-31416 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.1 c1cc(ccc1N)OCF DA-45699 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.1 c1cc(ncc1Br)CCN DA-37808 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.1 c1cc(ncc1Cl)CCN DA-38905 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.3 CNc1ccc(nc1)OC DA-36950 [1,0,0,0,0,0|2,0,0]=3 25 B10R1.3 CNc1ncc(cn1)OC DA-38887 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.3 COc1ccc(cn1)C=C DA-43082 [1,0,0,0,0,0|1,0,2]=4 27 B10R1.3 COc1ccc(cn1)NN DA-37330 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.3 COc1ccc(nc1)CBr DA-27802 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.3 COc1ccc(nc1)NN DA-26162 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.3 COc1ncc(cn1)CO DA-25990 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.3 CSc1ccc(cc1)CBr DA-30689 [1,0,0,0,0,0|1,1,0]=3 32 B10R1.3 c1cc(ccc1CI)C=O DA-22187 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.4 CC(=C)Cc1ccc(cc1)SC DA-31347 [0,1,0,0,0,0|0,1,1]=3 34 B12R1.4 CC(=N)Nc1ccc(cc1)OC DA-44929 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.4 CC(C)Nc1ccc(cc1)C#N DA-43317 [0,1,0,0,0,0|3,0,0]=4 36 B12R1.4 CC(C)Oc1ccc(cc1)C#N DA-39283 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.4 CN(C)Cc1ccc(cc1)C#C DA-23109 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.4 CN(C)Cc1ccc(cc1)NN DA-39369 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.5 CCC(=O)c1ccc(nc1)OC DA-40873 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.5 CCC(c1ccc(nc1)OC)N DA-30762 [0,1,0,0,0,0|1,0,0]=2 41 B12R1.5 COc1ccc(cn1)C(=O)CBr DA-26945 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.71 CCCCc1ccc(cc1)NO DA-39779 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.71 CCCOc1ccc(cc1)CBr DA-30683 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.71 COCOc1ccc(cc1)C#C DA-29385 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.71 COCOc1ccc(cc1)C=O DA-22175 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.71 COCOc1ccc(cc1)CCl DA-30670 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.71 COCOc1ccc(cc1)CO DA-22174 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.71 COc1ccc(cc1)COCCl DA-30081 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.71 COc1ccc(cc1)COCCl DA-30678 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.71 c1cc(ccc1COCCl)C#N DA-22285 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.113 CC(C)c1ccc(cc1)CCN DA-28151 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.113 CCNc1ccc(cc1)N(C)C DA-43095 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.113 CN(C)c1ccc(cc1)CCO DA-42277 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.113 CS(=O)c1ccc(cc1)CCBr DA-31454 [0,1,0,0,0,0|1,1,0]=3 55 B12R1.113 c1cc(ccc1CCCl)C(=O)Cl DA-22851 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.114 COc1ccc(c(c1)F)CCN DA-28633 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.114 COc1ccc(c(c1)F)CCO DA-28632 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.114 Cc1cc(ccc1CCO)CO DA-22194 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.288 CCOc1ccc(c(c1)Cl)C=O DA-26577 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.288 CCOc1ccc(c(c1)Cl)CBr DA-30699 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.288 COc1ccc(cc1O)CCO DA-23557 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.288 Cc1cc(ccc1CO)CCO DA-22191 [0,1,0,0,0,0|3,0,0]=4 63 B12R2.9 COc1ccc(cc1)C2CO2 DA-28125 [0,0,0,1,0,0|1,0,0]=2 64 B12R2.9 COc1ccc(cn1)C2CO2 DA-26006 [0,0,0,1,0,0|2,0,0]=3 65 B12R2.44 COc1ncc2c(n1)CNC2 DA-36697 [0,0,0,1,0,0|3,0,0]=4 66 B12R2.44 c1cc2c(cc1C#N)NCC2 DA-33525 [0,0,0,1,0,0|3,0,0]=4 67 B12R2.44 c1cc2c(cc1CBr)CCO2 DA-43363 [0,0,0,1,0,0|3,0,0]=4 68 B12R2.44 c1cc2c(cc1CO)CNC2 DA-37302 [0,0,0,1,0,0|3,0,0]=4 69 B9R1.1 c1cc(ccc1CCl)O DA-22267 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.8 c1ccc(cc1)CNN DA-35038 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.1 C#CCCc1ccc(cc1)Br DA-41405 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.1 CC#CCc1ccc(cc1)F DA-30679 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.1 COCOc1ccc(cc1)I DA-29297 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.1 Cc1ccc(cc1)C=CCBr DA-31249 [1,1,0,0,0,0|0,0,2]=4 75 B11R1.1 c1cc(ccc1NCCN)Cl DA-45241 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.1 c1cc(ccc1OCCN)Br DA-28297 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.20 CC(C)Oc1ccc(cn1)O DA-36101 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.22 CCC(C)c1ccc(nc1)N DA-37012 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.22 CCC(c1ccc(nc1)C)N DA-30756 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.81 CCCn1ccc(cc1=O)I DA-39288 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.81 CCNc1ccc(cc1N)C DA-47718 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.81 CCOc1ccc(cc1N)C DA-26279 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.81 CCOc1ccc(cc1N)Cl DA-37570 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.81 CCSc1ccc(cc1Cl)Br DA-46233 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.81 Cc1ccc(c(c1)C)CNC DA-41403 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.81 c1cc(c(cc1Br)F)CCO DA-43384 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.192 CCCc1ccc(c(c1)Cl)O DA-26541 [1,1,0,0,0,0|0,0,0]=2 88 B11R1.192 CCOc1ccc(c(c1)Br)O DA-26850 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.192 CCOc1ccc(c(c1)Cl)O DA-26576 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.192 CCOc1ccc(c(c1)F)Cl DA-29551 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.192 COCc1ccc(c(c1)Cl)O DA-26603 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.192 Cc1cc(ccc1O)CCO DA-28168 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.192 Cc1ccc(cc1Br)CCO DA-24008 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.192 c1cc(c(cc1CCO)Br)O DA-24018 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.192 c1cc(c(cc1CCO)Cl)O DA-23796 [1,1,0,0,0,0|1,0,0]=3 96 B11R1.3 CC(=C)c1ccc(cn1)OC DA-47451 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.3 CC(=O)c1ccc(cc1)CCl DA-29902 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.3 CC(=O)c1ccc(cc1)CO DA-31115 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.3 CCc1ccc(nc1)C(=O)C DA-42902 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.3 CS(=O)c1ccc(cc1)CCl DA-30669 [1,1,0,0,0,0|1,1,0]=4 101 B11R1.279 CCc1ccc(cc1Br)OC DA-26913 [1,1,0,0,0,0|0,0,0]=2 102 B11R1.279 CCc1ccc(cc1F)OC DA-29425 [1,1,0,0,0,0|0,0,0]=2 103 B11R1.279 CCc1ccc(cc1N)C#N DA-24288 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.279 CCc1ccc(cc1N)CO DA-24289 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.279 COc1ccc(c(c1)Cl)C=O DA-42133 [1,1,0,0,0,0|1,0,1]=4 106 B11R1.279 COc1ccc(cc1Br)CN DA-24010 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.279 COc1cnc(cc1Br)CBr DA-21246 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.279 Cc1cc(ccc1NC)OC DA-39186 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.4 CC(C)(Cc1ccc(cc1)OC)N DA-30944 [0,2,0,0,0,0|0,0,0]=2 110 B13R1.35 Cc1cc(ccc1SC)CC(=C)C DA-25898 [0,2,0,0,0,0|0,1,1]=4 111 B13R1.142 CC(C)Cc1ccc(cc1)CNC DA-47999 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.139 CNCc1ccc(cc1)C(=O)OC DA-32644 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.139 COC(=O)c1ccc(cc1)CCN DA-32619 [0,2,0,0,0,0|1,0,0]=3 114 B13R1.139 COC(=O)c1ccc(nc1)CCO DA-32277 [0,2,0,0,0,0|2,0,0]=4 115 B13R1.187 COc1ccc(cc1)C(CO)(F)F DA-27506 [0,2,0,0,0,0|1,0,0]=3 116 B13R1.3 CC(=O)CCc1ccc(cc1)C#N DA-22666 [0,2,0,0,0,0|2,0,0]=4 117 B13R1.3 CC(CCc1ccc(cc1)C#N)N DA-22739 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.3 CCc1ccc(cc1)NCC(C)C DA-39416 [0,2,0,0,0,0|1,0,0]=3 119 B13R1.3 CSc1ccc(cc1)CCC(=O)O DA-22148 [0,2,0,0,0,0|0,1,1]=4 120 B13R1.74 CC(=O)c1ccc(cc1)CCCCl DA-29923 [0,2,0,0,0,0|1,0,0]=3 121 B13R1.74 CCCCc1ccc(cc1)[N+](=O)[O-] DA-29587 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.74 CNCCc1ccc(cc1)C(=O)O DA-21630 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.74 c1cc(ccc1CCCBr)C(=O)O DA-22718 [0,2,0,0,0,0|2,0,0]=4 124 B13R1.74 c1cc(ccc1CCCBr)[N+](=O)[O-] DA-31224 [0,2,0,0,0,0|2,0,0]=4 125 B13R1.371 CCCCOc1ccc(cc1)CCl DA-29595 [0,2,0,0,0,0|2,0,0]=4 126 B13R1.371 COc1ccc(cc1)CCCCBr DA-31064 [0,2,0,0,0,0|0,0,0]=2 127 B13R1.371 COc1ccc(cc1)COCC=O DA-28134 [0,2,0,0,0,0|0,0,1]=3 128 B13R1.371 COc1ccc(cc1)COCSC DA-39197 [0,2,0,0,0,0|0,0,0]=2 129 B13R1.577 CCCOc1ccc(c(c1)Cl)C=O DA-26544 [0,2,0,0,0,0|2,0,0]=4 130 B13R1.577 CCCOc1ccc(c(c1)Cl)CBr DA-30698 [0,2,0,0,0,0|2,0,0]=4 131 B13R1.577 CCCOc1ccc(c(c1)Cl)CO DA-26543 [0,2,0,0,0,0|2,0,0]=4 132 B13R1.140 CNCc1ccc(cc1)S(=O)(=O)C DA-41623 [0,2,0,0,0,0|1,1,0]=4 133 B13R1.140 CS(=O)(=O)c1ccc(cc1)CCN DA-22152 [0,2,0,0,0,0|1,1,0]=4 134 B13R1.386 COc1ccc(cc1OC)CCCl DA-22855 [0,2,0,0,0,0|1,0,0]=3 135 B11R1.267 CCn1cccc(c1=O)OC DA-29415 [0,0,1,1,0,0|2,0,0]=4 136 B11R1.280 CCc1cc(ccc1Br)OC DA-29681 [0,0,1,1,0,0|1,0,1]=4 137 B11R1.280 CCc1cc(ccc1N)OC DA-26241 [0,0,1,1,0,0|1,0,1]=4 138 B11R2.34 Cc1ccc(cn1)C2CO2 DA-25862 [1,0,0,1,0,0|2,0,0]=4 139 B11R2.36 c1c(cnc2c1CCC2)Cl DA-46534 [1,0,0,1,0,0|2,0,0]=4 140 B11R2.36 c1c(cnc2c1CCC2)N DA-36688 [1,0,0,1,0,0|2,0,0]=4 141 B11R2.36 c1cc2c(cc1Cl)CNC2 DA-37451 [1,0,0,1,0,0|2,0,0]=4 142 B11R2.36 c1cc2c(cc1O)CNC2 DA-33514 [1,0,0,1,0,0|1,0,0]=3 143 B13R2.185 COc1ccc(nc1)C2=CCC2 DA-47444 [0,1,0,1,0,0|1,0,1]=4 144 B13R2.185 COc1ccc(nc1)C2CCC2 DA-47443 [0,1,0,1,0,0|1,0,0]=3 145 B13R2.185 c1cc(ccc1C#N)C2CNC2 DA-22732 [0,1,0,1,0,0|2,0,0]=4 146 B13R2.186 CC1(CC1)c2ccc(cn2)OC DA-47450 [0,1,0,1,0,0|1,0,0]=3 147 B13R2.2130 B1(c2ccc(cc2CO1)OC)O DA-43514 [0,1,0,1,0,0|2,0,0]=4 148 B13R2.669 B1(c2cc(ccc2CO1)OC)O DA-36057 [0,1,0,1,0,0|2,0,0]=4 149 B13R2.428 c1cc(ccc1C2CC2)C(=O)O DA-23111 [0,1,0,1,0,0|2,0,0]=4 150 B13R2.430 CC(=O)c1ccc2c(c1)OCC2 DA-31546 [0,1,0,1,0,0|2,0,0]=4 151 B13R2.430 CC(c1ccc2c(c1)CCO2)N DA-31548 [0,1,0,1,0,0|2,0,0]=4 152 B13R2.430 CS(=O)c1ccc2c(c1)CCN2 DA-27383 [0,1,0,1,0,0|1,1,0]=4 153 B13R2.449 c1cc2c(cc1CCI)CCO2 DA-27387 [0,1,0,1,0,0|1,0,0]=3 154 B13R2.84 CCc1ccc2c(c1O)CCO2 DA-41454 [0,1,0,1,0,0|2,0,0]=4 155 B13R2.599 COc1cc2c(cc1Cl)CNC2 DA-37467 [0,1,0,1,0,0|1,0,0]=3 156 B13R2.2396 c1cc(c(cc1C2CC2)O)C#N DA-39484 [0,1,0,1,0,0|2,0,0]=4