0 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.1 CCc1ccc(cc1)F LS11765 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.1 CCc1ccc(cn1)Br LS21179 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 COc1ccc(cc1)O LS10474 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.1 COc1ccc(cc1)S LS11831 [1,0,0,0,0,0|0,1,0]=2 8 B9R1.1 COc1ccc(cn1)Br LS21039 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 COc1ccc(cn1)F LS20238 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 COc1ccc(cn1)N LS20615 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.1 COc1ccc(nc1)Cl LS20524 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 COc1ncc(cn1)N LS21217 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.1 Cc1ccc(cc1)C#C LS10578 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.1 Cc1ccc(cc1)CBr LS11264 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 Cc1ccc(cc1)CN LS11220 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.1 Cc1ccc(cc1)CO LS11273 [1,0,0,0,0,0|0,0,0]=1 17 B9R1.1 Cc1ccc(nc1)C#N LS20218 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.1 Cc1ccc(nc1)OC LS20323 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.1 c1cc(ccc1C#N)Br LS11574 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.1 c1cc(ccc1C#N)F LS10440 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.1 c1cc(ccc1C#N)N LS10115 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.1 c1cc(ccc1CBr)Br LS11427 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.1 c1cc(ccc1CBr)F LS10228 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 c1cc(ccc1CBr)I LS11269 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 c1cc(ccc1CO)I LS11275 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.1 c1cc(ccc1CO)N LS10779 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.1 c1cc(ccc1NN)F LS10358 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.1 c1cc(ncc1Br)CO LS20572 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.1 c1cc(ncc1CO)N LS40930 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.3 B(c1ccc(cc1)C#N)(O)O LS00153 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.3 B(c1ccc(cc1)C=O)(O)O LS00096 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.3 B(c1ccc(cc1)CBr)(O)O LS10869 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.3 B(c1ccc(cc1)CC)(O)O LS10888 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.3 B(c1ccc(cc1)CO)(O)O LS10891 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.3 B(c1ccc(cc1)OC)(O)O LS10897 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.3 B(c1ccc(cc1)SC)(O)O LS10900 [0,1,0,0,0,0|1,1,0]=3 39 B11R1.3 B(c1ccc(nc1)OC)(O)O LS11100 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.3 B(c1cnc(nc1)OC)(O)O LS11128 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.3 CN(C)c1ccc(cc1)C=O LS10650 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] LS11522 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [0,1,0,0,0,0|0,0,1]=2 47 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] LS20663 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] LS10721 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [0,1,0,0,0,0|0,0,2]=3 54 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [0,1,0,0,0,0|0,0,2]=3 55 B11R1.279 COc1ccc(c(c1)F)NN LS10185 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.279 COc1ccc(cc1O)C#N LS11706 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.279 COc1ccc(cc1O)C=O LS10550 [0,1,0,0,0,0|0,0,2]=3 60 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,2]=4 63 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,0]=2 64 B8R1.2 c1cnccc1CN LS20857 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [2,0,0,0,0,0|0,0,2]=4 66 B8R1.3 Cc1ccc(cc1)Cl LS11416 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.3 Cc1ccc(cn1)Br LS20399 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.3 Cc1ccc(nc1)Br LS20538 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.3 Cc1ccc(nc1)Cl LS20543 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.3 c1cc(ccc1Br)I LS11203 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.3 c1cc(ccc1F)F LS11211 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.3 c1cc(ccc1N)Br LS11446 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.3 c1cc(ccc1N)I LS11481 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.3 c1cc(ccc1O)Br LS11445 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.3 c1cc(ccc1O)F LS10647 [2,0,0,0,0,0|1,0,0]=3 76 B8R1.3 c1cc(ccc1O)I LS10366 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.3 c1cc(ncc1F)O LS20722 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.3 c1cc(ncc1N)O LS20334 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.3 c1cc(ncc1O)F LS20343 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.3 c1cc(ncc1O)N LS20718 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.1 CCOc1ccc(cn1)Br LS20352 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [1,1,0,0,0,0|1,1,0]=4 100 B10R1.13 B(c1ccc(nc1)C)(O)O LS11103 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,1,0,0,0,0|1,0,1]=4 109 B10R1.25 COc1c(cc(cn1)Br)Br LS20333 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.25 COc1c(cc(cn1)Br)Cl LS00025 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.25 COc1c(cc(cn1)Br)F LS20011 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.25 COc1c(cc(cn1)Cl)Br LS20332 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.25 COc1c(cc(cn1)N)Br LS20553 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.25 COc1ccc(cc1Br)N LS10092 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.25 COc1ccc(cc1F)N LS10107 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.25 COc1ccc(cc1F)O LS10467 [1,1,0,0,0,0|0,0,0]=2 117 B10R1.25 COc1ccc(cc1I)N LS10132 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.25 COc1cnc(nc1O)O LS20708 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [1,1,0,0,0,0|0,0,2]=4 120 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [1,1,0,0,0,0|0,0,2]=4 124 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.176 COc1ccc(c(c1)I)N LS10038 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.176 COc1ccc(c(c1)N)F LS10016 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.176 Cc1c(ccc(n1)OC)Br LS20326 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.176 Cc1c(ccc(n1)OC)F LS20325 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.176 Cc1c(ccc(n1)OC)N LS20506 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.176 Cc1c(ccc(n1)OC)N LS20740 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.176 Cc1cc(ncc1Br)OC LS20327 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.176 Cc1cc(ncc1N)OC LS20328 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [1,1,0,0,0,0|0,0,2]=4 136 B10R1.176 Cc1ccc(cc1F)C#N LS10444 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [1,1,0,0,0,0|0,0,2]=4 139 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [1,1,0,0,0,0|0,0,2]=4 140 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [1,1,0,0,0,0|0,0,2]=4 141 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [1,1,0,0,0,0|0,0,2]=4 142 B10R1.176 c1cc(c(cc1CN)Cl)Cl LS11225 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.5 COC(=O)c1ccc(cc1)C#C LS10765 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.5 COC(=O)c1ccc(cc1)CBr LS10680 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.5 COc1ccc(cc1)C(=O)CBr LS11455 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.6 CC(C)(c1ccc(cc1)OC)O LS10171 [0,2,0,0,0,0|0,0,0]=2 147 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl LS10598 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O LS11004 [0,2,0,0,0,0|1,0,0]=3 149 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O LS10758 [0,2,0,0,0,0|1,0,0]=3 150 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl LS20068 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] LS10761 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.48 COc1ccc(cc1N)C(=O)O LS11205 [0,2,0,0,0,0|0,0,1]=3 153 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] LS10772 [0,2,0,0,0,0|1,0,1]=4 154 B12R1.113 B(c1ccc(cc1)CCC)(O)O LS10904 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.113 B(c1ccc(cc1)COC)(O)O LS10896 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.113 B(c1ccc(cc1)OCC)(O)O LS10887 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.113 B(c1ccc(cc1)SCC)(O)O LS10890 [0,2,0,0,0,0|1,1,0]=4 158 B12R1.113 B(c1ccc(nc1)OCC)(O)O LS11098 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] LS10575 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O LS10863 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.256 B(c1ccc(cc1)C(C)C)(O)O LS10905 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.256 B(c1ccc(cc1)N(C)C)(O)O LS10883 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O LS10757 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.452 B(c1ccc(cc1F)OC)(O)O LS10980 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.452 CC(=O)c1ccc(cc1F)OC LS11613 [0,2,0,0,0,0|0,0,2]=4 166 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O LS11741 [0,2,0,0,0,0|0,0,1]=3 167 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] LS10312 [0,2,0,0,0,0|1,0,1]=4 168 B12R1.452 COc1ccc(c(c1)N)C(=O)O LS10553 [0,2,0,0,0,0|0,0,1]=3 169 B12R1.4 CC(=O)Oc1ccc(cc1)C=C LS00144 [0,2,0,0,0,0|1,0,1]=4 170 B12R1.4 CCc1ccc(cc1)CC(=O)C LS10066 [0,2,0,0,0,0|1,0,1]=4 171 B12R1.4 COc1ccc(cc1)CC(=O)O LS11415 [0,2,0,0,0,0|0,0,0]=2 172 B12R1.4 c1cc(ccc1CC(=O)O)CBr LS11535 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.71 CCCOc1ccc(cc1)C=O LS10540 [0,2,0,0,0,0|0,0,2]=4 174 B12R1.114 COc1ccc(c(c1)Cl)CC#N LS10184 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.288 CCOc1ccc(c(c1)O)C=O LS10684 [0,2,0,0,0,0|0,0,2]=4 176 B12R1.288 COc1ccc(cc1O)CCN LS10775 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.78 COc1ccc(cc1OC)CO LS10643 [0,2,0,0,0,0|0,0,0]=2 178 B12R1.653 COc1ccc(c(c1Br)Br)OC LS00049 [0,2,0,0,0,0|2,0,0]=4 179 B12R2.44 COc1ccc2c(c1)NCC2 LS20156 [0,1,0,1,0,0|1,0,0]=3 180 B12R2.44 COc1ccc2c(c1)cc[nH]2 LS20135 [0,1,0,1,0,0|1,0,1]=4 181 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [0,1,0,1,0,0|1,0,1]=4 182 B12R2.44 c1cc2c(cc1C#N)OCO2 LS40634 [0,1,0,1,0,0|1,0,1]=4 183 B12R2.44 c1cc2c(cc1CN)OCO2 LS40613 [0,1,0,1,0,0|1,0,0]=3 184 B10R1.172 c1cc(cc(c1)CO)CO LS11278 [0,0,0,0,1,1|2,0,0]=4