0 B10R1.1 CCOc1ccc(cc1)Br AS03448 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.1 CCOc1ccc(cc1)F AS02638 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.1 CCOc1ccc(cc1)I AS02282 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.1 Cc1ccc(cc1)CC#N AS01373 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.1 Cc1ccc(cc1)CC#N AS06119 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.1 Cc1ccc(cc1)CCN AS00487 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.1 Cc1ccc(cc1)CCO AS00590 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.1 c1cc(ccc1C=NO)Br AS00917 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.1 c1cc(ccc1C=NO)F AS00303 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.1 c1cc(ccc1CC#N)Br AS01643 [0,0,0,0,0,0|1,0,2]=3 11 B10R1.1 c1cc(ccc1CC#N)Cl AS01379 [0,0,0,0,0,0|1,0,2]=3 12 B10R1.1 c1cc(ccc1CC#N)F AS01640 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.1 c1cc(ccc1CC#N)I AS01647 [0,0,0,0,0,0|1,0,2]=3 14 B10R1.1 c1cc(ccc1CCBr)Cl AS06011 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.1 c1cc(ccc1CCBr)F AS00126 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.1 c1cc(ccc1CCBr)F AS01797 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.1 c1cc(ccc1CCCl)Cl AS06010 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.1 c1cc(ccc1CCN)Br AS06806 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.1 c1cc(ccc1CCN)Cl AS00485 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.1 c1cc(ccc1CCN)F AS00493 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.1 c1cc(ccc1CCO)Br AS00568 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.1 c1cc(ccc1CCO)F AS00589 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.1 c1cc(ccc1CCO)N AS00567 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.1 c1cc(ccc1CCO)O AS00553 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.1 c1cc(ccc1N=C=O)Br AS04397 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.1 c1cc(ccc1N=C=O)F AS00722 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.1 c1cc(ccc1N=C=S)Cl AS04385 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.1 c1cc(ccc1N=C=S)F AS00359 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.1 C#Cc1ccc(cc1)F AS00454 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.1 C#Cc1ccc(cc1)N AS04615 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.1 C=Cc1ccc(cc1)Br AS03806 [1,0,0,0,0,0|1,0,2]=4 33 B9R1.1 C=Cc1ccc(cc1)F AS03795 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.1 CCc1ccc(cc1)Br AS03254 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.1 CCc1ccc(cc1)F AS04424 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.1 CCc1ccc(cc1)I AS02159 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.1 CNc1ccc(cc1)I AS05390 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 COc1ccc(cc1)Br AS02358 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.1 COc1ccc(cc1)Cl AS01802 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.1 COc1ccc(cc1)F AS02586 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.1 COc1ccc(cc1)I AS02208 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.1 COc1ccc(cc1)O AS04576 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.1 COc1ccc(cn1)Br AS03404 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 COc1ccc(cn1)F AS04877 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 COc1ccc(nc1)Br AS04912 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 CSc1ccc(cc1)Br AS04293 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.1 CSc1ccc(cc1)Cl AS04289 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.1 CSc1ccc(cc1)F AS04286 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.1 CSc1ccc(cc1)N AS04283 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 Cc1ccc(cc1)C#N AS03761 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.1 Cc1ccc(cc1)C=O AS02824 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 Cc1ccc(cc1)CCl AS00637 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.1 Cc1ccc(cc1)SC AS04302 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 c1cc(ccc1C#N)Br AS03698 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.1 c1cc(ccc1C#N)Cl AS02369 [1,0,0,0,0,0|1,0,2]=4 56 B9R1.1 c1cc(ccc1C#N)F AS03736 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.1 c1cc(ccc1C#N)I AS03752 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.1 c1cc(ccc1C#N)N AS02646 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.1 c1cc(ccc1C#N)O AS02647 [1,0,0,0,0,0|0,0,2]=3 60 B9R1.1 c1cc(ccc1C=O)Br AS02893 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.1 c1cc(ccc1C=O)F AS02846 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.1 c1cc(ccc1C=O)F AS03001 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.1 c1cc(ccc1C=O)I AS03916 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.1 c1cc(ccc1C=O)N AS06990 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.1 c1cc(ccc1C=O)O AS02994 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.1 c1cc(ccc1CBr)Br AS02044 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.1 c1cc(ccc1CBr)F AS00664 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.1 c1cc(ccc1CBr)I AS00645 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.1 c1cc(ccc1CCl)Br AS00646 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.1 c1cc(ccc1CCl)F AS00660 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.1 c1cc(ccc1CCl)F AS02054 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 c1cc(ccc1CN)Br AS02268 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.1 c1cc(ccc1CN)Br AS03103 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.1 c1cc(ccc1CN)Br AS06970 [1,0,0,0,0,0|1,0,0]=2 77 B9R1.1 c1cc(ccc1CN)Cl AS00379 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.1 c1cc(ccc1CN)Cl AS02689 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.1 c1cc(ccc1CN)F AS00834 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.1 c1cc(ccc1CN)F AS01938 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.1 c1cc(ccc1CN)I AS02223 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.1 c1cc(ccc1CN)I AS02301 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.1 c1cc(ccc1CO)Br AS03954 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.1 c1cc(ccc1CO)Cl AS03965 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 c1cc(ccc1CO)F AS03978 [1,0,0,0,0,0|2,0,0]=3 86 B9R1.1 c1cc(ccc1CO)I AS00604 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.1 c1cc(ccc1CO)I AS03987 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.1 c1cc(ccc1CO)N AS00548 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.1 c1cc(ccc1CO)O AS00576 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.1 c1cc(ccc1NN)Br AS02015 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.1 c1cc(ccc1NN)Cl AS04469 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 c1cc(ccc1NN)F AS02961 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 c1cc(ccc1OS)I AS02948 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 c1ccc(cc1)CC#N AS01366 [1,0,0,0,0,0|0,0,2]=3 95 B9R1.8 c1ccc(cc1)CCCl AS00650 [1,0,0,0,0,0|1,0,0]=2 96 B9R1.8 c1ccc(cc1)CCN AS00484 [1,0,0,0,0,0|0,0,0]=1 97 B9R1.8 c1ccc(cc1)CCO AS00558 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.8 c1ccc(cc1)CON AS04494 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.8 c1ccc(cc1)N=C=O AS04076 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 c1ccc(cc1)N=C=S AS04391 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 c1ccnc(c1)CCCl AS04932 [1,0,0,0,0,0|2,0,0]=3 102 B11R1.1 CCCCc1ccc(cc1)Cl AS02834 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.1 CCCCc1ccc(cc1)I AS02288 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.1 CCCCc1ccc(cc1)I AS02333 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.1 COCCc1ccc(cc1)O AS00207 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.1 c1cc(ccc1CN=C=O)F AS06152 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.1 c1cc(ccc1CN=C=S)F AS04366 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.1 c1cc(ccc1OCCBr)Cl AS04621 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.1 c1cc(ccc1OCCBr)F AS03327 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.1 c1cc(ccc1OCCO)Br AS03962 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.20 CC(C)Cc1ccc(cc1)Br AS05659 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.20 CC(C)Oc1ccc(cc1)N AS05394 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.20 CC(Oc1ccc(cc1)Br)Cl AS03451 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [0,1,0,0,0,0|2,0,1]=4 119 B11R1.20 c1cc(ccc1N)OC(F)F AS00470 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.20 c1cc(ccc1OC(F)F)Br AS03208 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.20 c1cc(ccc1OC(F)F)Cl AS02695 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.20 c1cc(ccc1OC(F)F)I AS02511 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.22 CCC(=O)c1ccc(cc1)Br AS03828 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.22 CCC(=O)c1ccc(cc1)Cl AS03849 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.22 CCC(=O)c1ccc(cc1)F AS03904 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.22 COC(=O)c1ccc(cc1)O AS01626 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.22 Cc1ccc(cc1)C(=O)CN AS05091 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.22 c1cc(ccc1C(=O)CBr)Br AS05097 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 c1cc(ccc1C(=O)CBr)Cl AS01180 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 c1cc(ccc1C(=O)CBr)I AS05120 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 c1cc(ccc1C(=O)CBr)N AS05064 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 c1cc(ccc1C(=O)CCl)Br AS04020 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 c1cc(ccc1C(=O)CCl)Br AS05102 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 c1cc(ccc1C(=O)CCl)Cl AS05154 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 c1cc(ccc1C(=O)CCl)O AS05143 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.22 c1cc(ccc1C(=O)CN)Br AS05065 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.22 c1cc(ccc1C(=O)CN)Cl AS05073 [0,1,0,0,0,0|1,0,1]=3 138 B11R1.22 c1cc(ccc1C(=O)CN)F AS05082 [0,1,0,0,0,0|1,0,1]=3 139 B11R1.22 c1cc(ccc1C(=O)NN)Br AS00928 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.22 c1cc(ccc1C(=O)NN)Cl AS02684 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.22 c1cc(ccc1C(=O)NN)F AS00306 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.22 c1cc(ccc1C(=O)NN)I AS02957 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.22 c1cc(ccc1C(=O)NN)O AS00896 [0,1,0,0,0,0|1,0,1]=3 144 B11R1.22 c1cc(ccc1C(CO)O)Br AS06515 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.81 CCCc1ccc(cc1O)O AS06999 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.81 CCOc1ccc(cc1Cl)F AS02749 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.81 CCOc1ccc(cc1F)Cl AS02753 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.81 c1cc(c(cc1Br)Br)CC#N AS06098 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.81 c1cc(c(cc1Br)F)CC#N AS06079 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N AS01670 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.81 c1cc(c(cc1Cl)Cl)CCO AS00584 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.81 c1cc(c(cc1Cl)F)CC#N AS01958 [0,1,0,0,0,0|1,0,2]=4 153 B11R1.81 c1cc(c(cc1F)Cl)CC#N AS01678 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.81 c1cc(c(cc1F)F)CC#N AS01719 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.83 CCOc1ccc(cc1)CO AS05972 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.83 COc1ccc(cc1)CC#N AS01654 [0,1,0,0,0,0|0,0,2]=3 157 B11R1.83 COc1ccc(cc1)CC=O AS04419 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.83 c1cc(ccc1CCO)C=O AS04409 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.192 CCOc1ccc(c(c1)C)C AS02547 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.192 CCOc1ccc(c(c1)Cl)Cl AS02888 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.192 CCOc1ccc(c(c1)Cl)F AS02751 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.192 CCOc1ccc(c(c1)F)Cl AS02754 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.192 CCOc1ccc(c(c1)F)F AS02512 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.192 CCOc1ccc(c(c1)N)N AS02108 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.192 COCc1ccc(c(c1)F)Br AS05948 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.192 c1cc(c(cc1CC#N)Br)F AS06077 [0,1,0,0,0,0|1,0,2]=4 167 B11R1.192 c1cc(c(cc1CC#N)Cl)Cl AS01669 [0,1,0,0,0,0|1,0,2]=4 168 B11R1.192 c1cc(c(cc1CC#N)Cl)F AS01684 [0,1,0,0,0,0|1,0,2]=4 169 B11R1.192 c1cc(c(cc1CC#N)F)Br AS06080 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.192 c1cc(c(cc1CC#N)F)Cl AS01959 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.192 c1cc(c(cc1CC#N)F)F AS01967 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.192 c1cc(c(cc1CCO)Cl)Cl AS00579 [0,1,0,0,0,0|2,0,0]=3 173 B11R2.36 Cc1ccc2c(c1)OCO2 AS01485 [0,0,0,1,0,0|3,0,0]=4 174 B11R2.36 c1cc(cc2c1cc[nH]2)F AS02103 [0,0,0,1,0,0|1,0,2]=4 175 B11R2.36 c1cc(cc2c1cco2)O AS06445 [0,0,0,1,0,0|1,0,2]=4 176 B11R2.36 c1cc2c(cc1Br)CCO2 AS06345 [0,0,0,1,0,0|3,0,0]=4 177 B11R2.36 c1cc2c(cc1Br)OCC2 AS06451 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.36 c1cc2c(cc1Br)OCO2 AS00922 [0,0,0,1,0,0|3,0,0]=4 179 B11R2.36 c1cc2c(cc1Cl)OCO2 AS02681 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.36 c1cc2c(cc1F)[nH]cn2 AS07084 [0,0,0,1,0,0|2,0,1]=4 181 B11R2.36 c1cc2c(cc1I)CCO2 AS06344 [0,0,0,1,0,0|3,0,0]=4 182 B11R2.36 c1cc2c(cc1I)OCO2 AS02215 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.36 c1cc2c(cc1N)CCO2 AS06343 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.36 c1cc2c(cc1N)OCO2 AS06260 [0,0,0,1,0,0|3,0,0]=4 185 B8R1.2 COc1ccccc1 AS04310 [2,0,0,0,0,0|1,0,0]=3 186 B8R1.2 COc1ccccc1 AS06877 [2,0,0,0,0,0|1,0,0]=3 187 B8R1.2 COc1ccccn1 AS01009 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 COc1cccnc1 AS01010 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 COc1ccncc1 AS04953 [2,0,0,0,0,0|2,0,0]=4 190 B8R1.2 CSc1ccccc1 AS04279 [2,0,0,0,0,0|1,0,0]=3 191 B8R1.2 c1ccc(cc1)C#N AS02370 [2,0,0,0,0,0|0,0,2]=4 192 B8R1.2 c1ccc(cc1)CBr AS02048 [2,0,0,0,0,0|1,0,0]=3 193 B8R1.2 c1ccc(cc1)CO AS04466 [2,0,0,0,0,0|1,0,0]=3 194 B8R1.2 c1ccc(cc1)N=O AS01444 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.3 Cc1ccc(cc1)C AS00254 [2,0,0,0,0,0|1,0,0]=3 196 B8R1.3 Cc1ccc(cc1)F AS00305 [2,0,0,0,0,0|1,0,0]=3 197 B8R1.3 Cc1ccc(cc1)I AS02294 [2,0,0,0,0,0|1,0,0]=3 198 B8R1.3 Cc1ccc(cc1)N AS06931 [2,0,0,0,0,0|1,0,0]=3 199 B8R1.3 Cc1ccc(cn1)F AS04876 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.3 Cc1ccc(nc1)Br AS04906 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.3 Cc1ccc(nc1)F AS04850 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.3 c1cc(ccc1Br)Br AS05688 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.3 c1cc(ccc1Br)I AS03362 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.3 c1cc(ccc1Cl)Br AS06959 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.3 c1cc(ccc1Cl)Cl AS06944 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.3 c1cc(ccc1Cl)I AS03063 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.3 c1cc(ccc1F)Br AS00255 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.3 c1cc(ccc1F)Cl AS02729 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.3 c1cc(ccc1F)F AS00245 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.3 c1cc(ccc1F)I AS02180 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.3 c1cc(ccc1F)S AS04129 [2,0,0,0,0,0|1,1,0]=4 212 B8R1.3 c1cc(ccc1I)I AS00081 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.3 c1cc(ccc1N)Br AS00914 [2,0,0,0,0,0|1,0,0]=3 214 B8R1.3 c1cc(ccc1N)Cl AS02971 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.3 c1cc(ccc1N)Cl AS06958 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.3 c1cc(ccc1N)F AS00828 [2,0,0,0,0,0|1,0,0]=3 217 B8R1.3 c1cc(ccc1N)F AS01509 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.3 c1cc(ccc1N)I AS00432 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.3 c1cc(ccc1N)N AS00466 [2,0,0,0,0,0|1,0,0]=3 220 B8R1.3 c1cc(ccc1N)O AS04549 [2,0,0,0,0,0|0,0,0]=2 221 B8R1.3 c1cc(ccc1N)S AS04134 [2,0,0,0,0,0|0,1,0]=3 222 B8R1.3 c1cc(ccc1O)Cl AS00215 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.3 c1cc(ccc1O)F AS00216 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.3 c1cc(ccc1O)O AS00174 [2,0,0,0,0,0|1,0,0]=3 225 B8R1.3 c1cc(ccc1S)Cl AS04130 [2,0,0,0,0,0|1,1,0]=4 226 B8R1.3 c1cc(ncc1Br)N AS04888 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.3 c1cc(ncc1Cl)N AS04770 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.3 c1cc(ncc1Cl)O AS04939 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.3 c1cc(ncc1F)N AS04771 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.3 c1cc(ncc1F)O AS04872 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.3 c1cc(ncc1I)N AS02984 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.3 c1cc(ncc1N)Cl AS04902 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.3 c1cc(ncc1N)F AS04778 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.3 c1cc(ncc1N)N AS04945 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.3 c1cc(ncc1O)F AS04834 [2,0,0,0,0,0|2,0,0]=4 236 B10R1.3 CCc1ccc(cc1)OC AS02574 [1,1,0,0,0,0|0,0,0]=2 237 B10R1.3 COc1ccc(cc1)C#N AS02378 [1,1,0,0,0,0|0,0,2]=4 238 B10R1.3 COc1ccc(cc1)C=O AS02988 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.3 COc1ccc(cc1)CCl AS02049 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.3 COc1ccc(cc1)CN AS00371 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.3 COc1ccc(cc1)OC AS06962 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.3 COc1ccc(cc1)SC AS04296 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.3 CSc1ccc(cc1)CN AS06024 [1,1,0,0,0,0|0,1,0]=3 244 B10R1.3 c1cc(ccc1CBr)C#N AS00649 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.3 c1cc(ccc1CBr)CBr AS00653 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.3 c1cc(ccc1CN)C#N AS05785 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.3 c1cc(ccc1CO)CBr AS05951 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.3 c1cc(ccc1CO)CO AS00556 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.13 B(c1ccc(cc1)O)(O)O AS06272 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.13 CC(=C)c1ccc(cc1)O AS06541 [1,1,0,0,0,0|0,0,1]=3 251 B10R1.13 CC(=O)c1ccc(cc1)Br AS01178 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.13 CC(=O)c1ccc(cc1)Cl AS05257 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.13 CC(=O)c1ccc(cc1)F AS01160 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.13 CC(=O)c1ccc(cc1)I AS04012 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.13 CC(=O)c1ccc(cc1)N AS01150 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.13 CC(=O)c1ccc(cc1)O AS01158 [1,1,0,0,0,0|0,0,1]=3 257 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.13 CC(C)c1ccc(cc1)I AS02289 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.13 CC(C)c1ccc(cc1)S AS00078 [1,1,0,0,0,0|0,1,0]=3 260 B10R1.13 CC(c1ccc(cc1)Br)N AS03462 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.13 CC(c1ccc(cc1)Br)O AS03465 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.13 CC(c1ccc(cc1)Cl)Br AS06898 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.13 CC(c1ccc(cc1)Cl)N AS02836 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.13 CC(c1ccc(cc1)Cl)O AS02839 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.13 CC(c1ccc(cc1)F)O AS00895 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.13 CN(C)c1ccc(cc1)Cl AS05322 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.13 CN(C)c1ccc(cc1)O AS06531 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.13 Cc1ccc(cc1)C(=O)C AS01165 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.13 Cc1ccc(cc1)C(=O)N AS05901 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.13 c1cc(ccc1C(=N)N)N AS01794 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.13 c1cc(ccc1C(=N)N)N AS01988 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.13 c1cc(ccc1C(=O)N)Br AS00920 [1,1,0,0,0,0|1,0,1]=4 273 B10R1.13 c1cc(ccc1C(=O)N)Cl AS02680 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.13 c1cc(ccc1C(=O)N)F AS00831 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.13 c1cc(ccc1C(=S)N)Cl AS06630 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.13 c1cc(ccc1C(F)F)Br AS05635 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.13 c1cc(ccc1[N+](=O)[O-])O AS00220 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.25 COc1ccc(cc1Br)Br AS03501 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.25 COc1ccc(cc1Br)Cl AS03118 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.25 COc1ccc(cc1Br)F AS01624 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.25 COc1ccc(cc1Br)I AS03354 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.25 COc1ccc(cc1Br)N AS03267 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.25 COc1ccc(cc1Br)N AS03385 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.25 COc1ccc(cc1Cl)Br AS03121 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.25 COc1ccc(cc1Cl)Cl AS02854 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.25 COc1ccc(cc1Cl)F AS02722 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.25 COc1ccc(cc1Cl)I AS03054 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.25 COc1ccc(cc1Cl)N AS02789 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.25 COc1ccc(cc1F)Br AS03274 [1,1,0,0,0,0|2,0,0]=4 290 B10R1.25 COc1ccc(cc1F)Cl AS02726 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.25 COc1ccc(cc1F)F AS02507 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.25 COc1ccc(cc1F)N AS03264 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.25 COc1ccc(cc1F)N AS04085 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.25 COc1ccc(cc1F)O AS04432 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.25 COc1ccc(cc1I)Br AS03356 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.25 COc1ccc(cc1I)Cl AS03057 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.25 COc1ccc(cc1I)I AS02516 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.25 COc1ccc(cc1I)N AS02234 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.25 COc1ccc(cc1I)N AS02235 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.25 COc1ccc(cc1N)F AS04087 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.25 COc1ccc(cc1N)I AS05428 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.25 COc1ccc(cc1N)N AS04137 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.25 COc1ccc(cc1N)N AS04209 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.25 COc1ccc(cc1O)F AS00192 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.25 CSc1ccc(cc1Br)Cl AS04512 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.25 CSc1ccc(cc1F)F AS04305 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.25 Cc1cc(ccc1C#N)O AS06275 [1,1,0,0,0,0|0,0,2]=4 308 B10R1.25 Cc1cc(ccc1C=O)O AS05602 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.25 Cc1cc(ccc1CN)Br AS06015 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.25 Cc1cc(ccc1CN)F AS00849 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.25 Cc1cc(ccc1CN)O AS06507 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.25 Cc1cc(ccc1CO)Br AS05952 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.25 Cc1cc(ccc1CO)F AS00602 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.25 Cc1cc(ccc1OC)Br AS03407 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.25 Cc1cc(ccc1OC)Cl AS02809 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.25 Cc1cc(ccc1OC)F AS04149 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.25 Cc1cc(ccc1OC)I AS02251 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.25 Cc1cc(ccc1OC)N AS00453 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.25 Cc1ccc(c(c1)Br)OC AS03405 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.25 Cc1ccc(c(c1)C)CCl AS00710 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.25 Cc1ccc(c(c1)C)NN AS03280 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.25 Cc1ccc(c(c1)C)OC AS02541 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.25 Cc1ccc(c(c1)Cl)NN AS01996 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.25 Cc1ccc(c(c1)Cl)OC AS02799 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.25 Cc1ccc(c(c1)I)OC AS02092 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.25 c1cc(c(cc1Br)Br)CO AS03971 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.25 c1cc(c(cc1Br)F)CBr AS00654 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.25 c1cc(c(cc1Br)F)CN AS01929 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.25 c1cc(c(cc1Br)F)CN AS03304 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.25 c1cc(c(cc1Br)F)CO AS03958 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.25 c1cc(c(cc1Br)F)NN AS01992 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.25 c1cc(c(cc1Br)N)CO AS01411 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.25 c1cc(c(cc1Br)O)CO AS05949 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.25 c1cc(c(cc1Cl)Br)CBr AS06264 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.25 c1cc(c(cc1Cl)Cl)CBr AS00003 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.25 c1cc(c(cc1Cl)Cl)CCl AS02062 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.25 c1cc(c(cc1Cl)Cl)CO AS00605 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.25 c1cc(c(cc1Cl)F)CCl AS00670 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.25 c1cc(c(cc1Cl)F)CN AS02308 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.25 c1cc(c(cc1Cl)F)CN AS02739 [1,1,0,0,0,0|1,0,0]=3 341 B10R1.25 c1cc(c(cc1Cl)F)CO AS00595 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.25 c1cc(c(cc1Cl)F)NN AS02975 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.25 c1cc(c(cc1F)Br)CBr AS00655 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.25 c1cc(c(cc1F)Br)CN AS03302 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.25 c1cc(c(cc1F)Br)CO AS03955 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.25 c1cc(c(cc1F)Cl)CBr AS00679 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.25 c1cc(c(cc1F)Cl)CCl AS00671 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.25 c1cc(c(cc1F)Cl)CN AS02307 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.25 c1cc(c(cc1F)Cl)CN AS02737 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.25 c1cc(c(cc1F)Cl)CO AS03966 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.25 c1cc(c(cc1F)Cl)NN AS01994 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.25 c1cc(c(cc1F)F)CBr AS00700 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.25 c1cc(c(cc1F)F)CCl AS00685 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.25 c1cc(c(cc1F)F)CN AS01933 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.25 c1cc(c(cc1F)F)CO AS00610 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.25 c1cc(c(cc1F)F)NN AS02000 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.25 c1cc(c(cc1O)Br)C=O AS06475 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.25 c1cc(c(cc1O)Cl)C#N AS05814 [1,1,0,0,0,0|0,0,2]=4 359 B10R1.25 c1cc(c(cc1O)Cl)C=O AS02997 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.25 c1cc(c(cc1O)F)C#N AS03737 [1,1,0,0,0,0|0,0,2]=4 361 B10R1.25 c1cc(c(cc1O)F)C=O AS03069 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.25 c1cc(c(cc1O)I)C=O AS06474 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.25 c1cc(c(cc1O)O)C#N AS07229 [1,1,0,0,0,0|0,0,2]=4 364 B10R1.25 c1cc(c(cc1O)O)C=O AS02995 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.176 CCc1ccc(c(c1)Br)Br AS03544 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.176 CCc1ccc(c(c1)Br)Cl AS03141 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.176 CCc1ccc(c(c1)Br)I AS03255 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.176 CCc1ccc(c(c1)Br)N AS03249 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.176 CCc1ccc(c(c1)Br)N AS03250 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.176 CCc1ccc(c(c1)N)O AS06527 [1,1,0,0,0,0|0,0,0]=2 371 B10R1.176 CCc1ccc(c(c1)O)Cl AS02714 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.176 CCc1ccc(c(c1)O)O AS06481 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.176 CNc1ccc(c(c1)Cl)Cl AS05344 [1,1,0,0,0,0|2,0,0]=4 374 B10R1.176 COc1ccc(c(c1)Br)Br AS03504 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.176 COc1ccc(c(c1)Br)Cl AS01807 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.176 COc1ccc(c(c1)Br)F AS05445 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.176 COc1ccc(c(c1)Br)N AS04059 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.176 COc1ccc(c(c1)Br)O AS03403 [1,1,0,0,0,0|1,0,0]=3 379 B10R1.176 COc1ccc(c(c1)Cl)Br AS02951 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.176 COc1ccc(c(c1)Cl)Cl AS02857 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.176 COc1ccc(c(c1)Cl)F AS02724 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.176 COc1ccc(c(c1)Cl)I AS06281 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.176 COc1ccc(c(c1)Cl)N AS05414 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.176 COc1ccc(c(c1)Cl)O AS00233 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.176 COc1ccc(c(c1)F)Br AS01368 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.176 COc1ccc(c(c1)F)Br AS04321 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 COc1ccc(c(c1)F)Cl AS02727 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.176 COc1ccc(c(c1)F)F AS02508 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.176 COc1ccc(c(c1)F)O AS02618 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.176 COc1ccc(c(c1)I)Br AS03357 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.176 COc1ccc(c(c1)I)Cl AS03058 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.176 COc1ccc(c(c1)I)N AS05431 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.176 COc1ccc(c(c1)N)Br AS03386 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.176 COc1ccc(c(c1)N)Br AS03666 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.176 COc1ccc(c(c1)N)Br AS04115 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.176 COc1ccc(c(c1)N)Cl AS02788 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.176 COc1ccc(c(c1)N)Cl AS04068 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.176 COc1ccc(c(c1)N)F AS05424 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.176 COc1ccc(c(c1)N)N AS05476 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.176 COc1ccc(c(c1)N)N AS05477 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.176 Cc1cc(ccc1Br)OC AS01021 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.176 Cc1cc(ccc1Cl)OC AS02810 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.176 Cc1cc(ccc1F)CN AS01941 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.176 Cc1cc(ccc1F)CN AS02008 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.176 Cc1cc(ccc1F)OC AS02627 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.176 Cc1cc(ccc1N)OC AS00349 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.176 Cc1cc(ccc1O)C=O AS05603 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.176 Cc1ccc(cc1Br)OC AS05453 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.176 Cc1ccc(cc1C)CCl AS00712 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.176 Cc1ccc(cc1C)CN AS06971 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.176 Cc1ccc(cc1C)CO AS00594 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.176 Cc1ccc(cc1C)NN AS07068 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.176 Cc1ccc(cc1C)OC AS02544 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.176 Cc1ccc(cc1Cl)CN AS00381 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.176 Cc1ccc(cc1Cl)OC AS02808 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.176 Cc1ccc(cc1F)CN AS06972 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.176 Cc1ccc(cc1F)NN AS02007 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.176 Cc1ccc(cc1F)OC AS02625 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.176 Cc1ccc(cc1N)OC AS05433 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.176 c1cc(c(cc1C#N)Br)O AS03702 [1,1,0,0,0,0|0,0,2]=4 421 B10R1.176 c1cc(c(cc1C#N)Cl)O AS03718 [1,1,0,0,0,0|0,0,2]=4 422 B10R1.176 c1cc(c(cc1C#N)F)O AS02587 [1,1,0,0,0,0|0,0,2]=4 423 B10R1.176 c1cc(c(cc1C=O)Br)O AS03815 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.176 c1cc(c(cc1C=O)Cl)O AS06839 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.176 c1cc(c(cc1C=O)F)O AS03052 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.176 c1cc(c(cc1C=O)I)O AS02778 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.176 c1cc(c(cc1CBr)Br)F AS00658 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.176 c1cc(c(cc1CBr)Cl)Cl AS01830 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.176 c1cc(c(cc1CBr)Cl)F AS00678 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.176 c1cc(c(cc1CBr)F)Cl AS00677 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.176 c1cc(c(cc1CBr)F)F AS00702 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.176 c1cc(c(cc1CCl)Cl)Cl AS02061 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.176 c1cc(c(cc1CCl)Cl)F AS00674 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.176 c1cc(c(cc1CCl)F)Cl AS00673 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.176 c1cc(c(cc1CCl)F)F AS00687 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.176 c1cc(c(cc1CN)Br)F AS00377 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.176 c1cc(c(cc1CN)Cl)Cl AS06021 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.176 c1cc(c(cc1CN)Cl)F AS01931 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.176 c1cc(c(cc1CN)Cl)F AS02952 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.176 c1cc(c(cc1CN)F)Cl AS02305 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.176 c1cc(c(cc1CN)F)Cl AS02740 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.176 c1cc(c(cc1CN)F)F AS01934 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.176 c1cc(c(cc1CO)Br)Br AS03972 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.176 c1cc(c(cc1CO)Cl)Cl AS00608 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.176 c1cc(c(cc1CO)F)Cl AS03968 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.176 c1cc(c(cc1CO)F)F AS00612 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.176 c1cc(c(cc1CO)O)I AS05984 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.176 c1cc(c(cc1NN)F)F AS03279 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.4 CCOc1ccccc1Br AS03446 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.4 CCOc1ccccc1C AS07155 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.4 CCOc1ccccc1F AS02636 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.4 CCOc1ccccc1N AS01513 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.4 COCc1ccccc1Br AS03400 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.4 COCc1ccccc1Br AS03402 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.4 Cc1ccccc1CC#N AS01367 [1,1,0,0,0,0|0,0,2]=4 456 B10R1.4 c1ccc(c(c1)CC#N)Br AS01641 [1,1,0,0,0,0|0,0,2]=4 457 B10R1.4 c1ccc(c(c1)CC#N)F AS01388 [1,1,0,0,0,0|0,0,2]=4 458 B10R1.4 c1ccc(c(c1)CC#N)I AS01645 [1,1,0,0,0,0|0,0,2]=4 459 B10R1.4 c1ccc(c(c1)CC#N)N AS06069 [1,1,0,0,0,0|0,0,2]=4 460 B10R1.4 c1ccc(c(c1)CCBr)F AS02432 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.4 c1ccc(c(c1)CCN)F AS00483 [1,1,0,0,0,0|0,0,0]=2 462 B10R1.4 c1ccc(c(c1)CCO)Br AS06007 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.4 c1ccc(c(c1)CCO)Cl AS00582 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.4 c1ccc(c(c1)CCO)F AS00577 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.10 CCNc1cccc(c1)Cl AS02454 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.10 CCOc1cccc(c1)Br AS03447 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.10 CCOc1cccc(c1)Cl AS02832 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.10 CCOc1cccc(c1)F AS02637 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.10 CCOc1cccc(c1)I AS02281 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.10 CNCc1cccc(c1)Br AS06618 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.10 COCc1cccc(c1)Br AS03401 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.10 Cc1cccc(c1)CC#N AS01378 [1,1,0,0,0,0|0,0,2]=4 473 B10R1.10 Cc1cccc(c1)CCO AS00588 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.10 c1cc(cc(c1)Br)CC#N AS01951 [1,1,0,0,0,0|0,0,2]=4 475 B10R1.10 c1cc(cc(c1)Br)CCO AS04438 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.10 c1cc(cc(c1)Cl)CC#N AS01360 [1,1,0,0,0,0|0,0,2]=4 477 B10R1.10 c1cc(cc(c1)Cl)CCO AS00585 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.10 c1cc(cc(c1)F)CC#N AS01971 [1,1,0,0,0,0|0,0,2]=4 479 B10R1.10 c1cc(cc(c1)F)CCBr AS01798 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.10 c1cc(cc(c1)F)CCN AS00492 [1,1,0,0,0,0|0,0,0]=2 481 B10R1.10 c1cc(cc(c1)F)CCO AS01801 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.10 c1cc(cc(c1)I)CC#N AS01646 [1,1,0,0,0,0|0,0,2]=4 483 B10R1.10 c1cc(cc(c1)N)CC#N AS06070 [1,1,0,0,0,0|0,0,2]=4 484 B10R1.10 c1cc(cc(c1)O)CCO AS06800 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.10 c1cc(cc(c1)O)CNN AS06645 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.15 CC(CBr)c1ccccc1 AS03467 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.15 CCC(=O)c1ccccc1 AS01141 [1,1,0,0,0,0|1,0,1]=4 488 B10R1.15 CCC(C)c1ccccc1 AS05667 [1,1,0,0,0,0|1,0,0]=3 489 B10R1.15 c1ccc(cc1)C(=O)CBr AS01145 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.15 c1ccc(cc1)C(=O)CCl AS01163 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.15 c1ccc(cc1)C(=O)NN AS01560 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.17 CCCOc1ccccc1 AS01111 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.17 c1ccc(cc1)CCCBr AS03468 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.17 c1ccc(cc1)CN=C=S AS04379 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.17 c1ccc(cc1)NCCO AS00460 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.17 c1ccc(cc1)OCCBr AS03452 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.18 CC(Cc1ccccc1)O AS07220 [1,1,0,0,0,0|1,0,0]=3 498 B12R1.1 CCCCCc1ccc(cc1)Br AS00629 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.1 c1cc(ccc1OCCCBr)F AS03330 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl AS03867 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.21 c1cc(ccc1CCC(=O)O)F AS04666 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.21 c1cc(ccc1CCC(=O)O)O AS02950 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.49 COC(=O)Cc1ccc(cc1)O AS06110 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.69 CCCCc1ccc(cc1O)O AS07002 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.69 CCCOc1ccc(cc1F)Br AS03331 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.71 CCCOc1ccc(cc1)C#C AS06594 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.71 CCCOc1ccc(cc1)C#N AS03768 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.71 CCCOc1ccc(cc1)C=O AS03944 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.71 CCCOc1ccc(cc1)CO AS04000 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.385 c1cc(c(cc1OCCBr)Cl)Cl AS03192 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.4 CC(C)Oc1ccc(cc1)CO AS04001 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O AS06081 [0,2,0,0,0,0|1,0,1]=4 513 B12R1.19 c1cc(c(cc1CC(=O)O)F)O AS02173 [0,2,0,0,0,0|1,0,1]=4 514 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O AS06748 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.106 c1cc(ccc1O)OC(F)(F)F AS01415 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.233 c1cc(c(cc1O)F)CC(=O)O AS00528 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.5 COc1ccc(cc1)C(=O)CBr AS04022 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.5 COc1ccc(cc1)C(=O)CBr AS05122 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.5 COc1ccc(cc1)C(=O)CCl AS01440 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.5 COc1ccc(cc1)C(=O)NN AS01118 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O AS07041 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.367 c1cc(c(cc1C(=O)CN)O)O AS07040 [0,2,0,0,0,0|0,0,1]=3 523 B12R1.1703 CCC(=O)c1ccc(cc1O)O AS07000 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN AS05076 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.114 COc1ccc(c(c1)Cl)CC#N AS06876 [0,2,0,0,0,0|0,0,2]=4 526 B12R1.114 COc1ccc(c(c1)F)CC#N AS02348 [0,2,0,0,0,0|0,0,2]=4 527 B12R1.1123 c1c(c(cc(c1F)F)F)CCO AS06014 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.113 B(c1ccc(cc1)CCC)(O)O AS04593 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.113 CCOc1ccc(cc1)C(=O)O AS02555 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.113 c1cc(ccc1CCBr)[N+](=O)[O-] AS00631 [0,2,0,0,0,0|1,0,1]=4 531 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] AS07044 [0,2,0,0,0,0|0,0,1]=3 532 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] AS00586 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.116 CCOc1ccc(cc1)CC#N AS06104 [0,2,0,0,0,0|0,0,2]=4 534 B12R1.288 COc1ccc(cc1F)CC#N AS01729 [0,2,0,0,0,0|0,0,2]=4 535 B12R2.24 c1cc2c(cc1Br)NCCO2 AS06394 [0,1,0,1,0,0|1,0,0]=3 536 B12R2.24 c1cc2c(cc1Br)OCCN2 AS06391 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.24 c1cc2c(cc1Br)OCCO2 AS00921 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.24 c1cc2c(cc1Cl)NCCO2 AS06388 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.24 c1cc2c(cc1O)OCCN2 AS06334 [0,1,0,1,0,0|1,0,0]=3 540 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AS06884 [0,1,0,1,0,0|1,0,1]=4 541 B12R2.612 c1cc2c(cc1O)OCC2=O AS06432 [0,1,0,1,0,0|1,0,1]=4