0 B9R1.69 Cc1c(ccc(n1)Br)F AS04785 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 Cc1c(ccc(n1)Cl)F AS04817 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.69 Cc1cc(ccc1F)Br AS03336 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 Cc1cc(ccc1F)Cl AS04754 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 Cc1cc(ccc1F)F AS02070 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 Cc1cc(ccc1F)I AS02074 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1cc(ccc1F)N AS03242 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 Cc1cc(ccc1F)O AS01400 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.69 Cc1cc(ncc1Cl)F AS04823 [0,0,0,0,0,0|3,1,0]=4 9 B9R1.69 Cc1ccc(c(c1)Br)F AS03335 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 Cc1ccc(c(c1)C)F AS00279 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 Cc1ccc(c(c1)Cl)F AS02758 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 Cc1ccc(c(c1)F)F AS02071 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 Cc1ccc(c(c1)I)F AS02193 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 Cc1ccc(c(c1)N)Br AS06846 [0,0,0,0,0,0|3,1,0]=4 15 B9R1.69 Cc1ccc(c(c1)N)Br AS06967 [0,0,0,0,0,0|3,1,0]=4 16 B9R1.69 Cc1ccc(c(c1)N)Cl AS04682 [0,0,0,0,0,0|3,1,0]=4 17 B9R1.69 Cc1ccc(c(c1)N)Cl AS06932 [0,0,0,0,0,0|3,1,0]=4 18 B9R1.69 Cc1ccc(c(c1)N)F AS03240 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.69 Cc1ccc(c(c1)N)I AS04099 [0,0,0,0,0,0|3,1,0]=4 20 B9R1.69 Cc1ccc(c(c1)O)F AS00182 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 Cc1ccc(c(n1)Br)F AS04789 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.69 Cc1ccc(c(n1)Cl)F AS04723 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.69 Cc1ccc(c(n1)N)Br AS04887 [0,0,0,0,0,0|2,1,1]=4 24 B9R1.69 Cc1ccc(cc1N)Br AS00457 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 Cc1ccc(cc1N)Cl AS04751 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 Cc1ccc(cc1N)F AS00350 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 Cc1ccc(cc1N)I AS02328 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 Cc1ccc(cc1N)O AS01352 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.69 Cc1ccc(cc1N)O AS02087 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.69 Cc1cnc(cc1I)F AS04838 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.69 c1c(c(cnc1F)Cl)I AS04822 [0,0,0,0,0,0|3,1,0]=4 32 B9R1.69 c1c(c(cnc1O)F)Br AS04798 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.69 c1cc(c(cc1Br)Br)F AS03550 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 c1cc(c(cc1Br)Cl)F AS03144 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.69 c1cc(c(cc1Br)F)F AS03202 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 c1cc(c(cc1Br)N)Br AS00471 [0,0,0,0,0,0|3,1,0]=4 37 B9R1.69 c1cc(c(cc1Br)N)Cl AS00433 [0,0,0,0,0,0|3,1,0]=4 38 B9R1.69 c1cc(c(cc1Br)N)F AS03273 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.69 c1cc(c(cc1Br)N)F AS04054 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.69 c1cc(c(cc1Br)N)F AS05296 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.69 c1cc(c(cc1Br)N)I AS03352 [0,0,0,0,0,0|3,1,0]=4 42 B9R1.69 c1cc(c(cc1Br)N)N AS00456 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.69 c1cc(c(cc1Br)N)O AS00170 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 c1cc(c(cc1Br)O)F AS00226 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.69 c1cc(c(cc1Cl)Br)F AS03148 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 c1cc(c(cc1Cl)Cl)F AS02870 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.69 c1cc(c(cc1Cl)F)F AS02694 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 c1cc(c(cc1Cl)N)Br AS03115 [0,0,0,0,0,0|3,1,0]=4 49 B9R1.69 c1cc(c(cc1Cl)N)F AS00333 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.69 c1cc(c(cc1Cl)N)I AS01557 [0,0,0,0,0,0|3,1,0]=4 51 B9R1.69 c1cc(c(cc1Cl)N)N AS01542 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.69 c1cc(c(cc1Cl)N)O AS04639 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.69 c1cc(c(cc1Cl)O)F AS01380 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.69 c1cc(c(cc1F)Br)F AS03201 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.69 c1cc(c(cc1F)F)F AS01587 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.69 c1cc(c(cc1F)I)F AS02127 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.69 c1cc(c(cc1F)N)Br AS00051 [0,0,0,0,0,0|3,1,0]=4 58 B9R1.69 c1cc(c(cc1F)N)Cl AS00334 [0,0,0,0,0,0|3,1,0]=4 59 B9R1.69 c1cc(c(cc1F)N)F AS01535 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.69 c1cc(c(cc1F)N)I AS03197 [0,0,0,0,0,0|3,1,0]=4 61 B9R1.69 c1cc(c(cc1F)N)N AS01545 [0,0,0,0,0,0|4,0,0]=4 62 B9R1.69 c1cc(c(cc1F)N)O AS00224 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.69 c1cc(c(cc1F)O)F AS00183 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.69 c1cc(c(cc1I)Br)F AS00284 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.69 c1cc(c(cc1I)Br)F AS03317 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.69 c1cc(c(cc1I)Cl)F AS03047 [0,0,0,0,0,0|4,0,0]=4 67 B9R1.69 c1cc(c(cc1I)F)F AS03091 [0,0,0,0,0,0|4,0,0]=4 68 B9R1.69 c1cc(c(cc1I)N)N AS05687 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.69 c1cc(c(cc1N)Br)F AS03266 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.69 c1cc(c(cc1N)Br)F AS03685 [0,0,0,0,0,0|4,0,0]=4 71 B9R1.69 c1cc(c(cc1N)Cl)F AS00440 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.69 c1cc(c(cc1N)F)F AS00794 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.69 c1cc(c(cc1N)F)F AS01536 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 c1cc(c(cc1N)F)F AS04472 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.69 c1cc(c(cc1N)F)F AS05352 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 c1cc(c(cc1N)N)Br AS05680 [0,0,0,0,0,0|3,1,0]=4 77 B9R1.69 c1cc(c(cc1N)N)F AS01546 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.69 c1cc(c(cc1O)Br)F AS00390 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.69 c1cc(c(cc1O)Cl)F AS00392 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.69 c1cc(c(cc1O)F)F AS00210 [0,0,0,0,0,0|3,0,1]=4 81 B9R1.69 c1cc(c(cc1O)N)F AS01349 [0,0,0,0,0,0|2,0,1]=3 82 B9R1.69 c1cc(c(cc1O)O)F AS05497 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.69 c1cc(c(cc1S)Cl)F AS05518 [0,0,0,0,0,0|3,1,0]=4 84 B9R1.69 c1cc(c(cc1S)F)F AS05521 [0,0,0,0,0,0|3,1,0]=4 85 B8R1.3 Cc1ccc(cc1)F AS00305 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.3 Cc1ccc(cn1)F AS04876 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.3 Cc1ccc(nc1)Br AS04906 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.3 Cc1ccc(nc1)F AS04850 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.3 c1cc(ccc1F)Br AS00255 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.3 c1cc(ccc1F)Cl AS02729 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.3 c1cc(ccc1F)F AS00245 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.3 c1cc(ccc1F)I AS02180 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.3 c1cc(ccc1F)S AS04129 [1,0,0,0,0,0|2,1,0]=4 94 B8R1.3 c1cc(ccc1N)F AS00828 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.3 c1cc(ccc1N)F AS01509 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.3 c1cc(ccc1O)F AS00216 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.3 c1cc(ncc1Br)Cl AS04922 [1,0,0,0,0,0|2,1,0]=4 98 B8R1.3 c1cc(ncc1Br)F AS04801 [1,0,0,0,0,0|2,1,0]=4 99 B8R1.3 c1cc(ncc1Br)I AS04928 [1,0,0,0,0,0|2,1,0]=4 100 B8R1.3 c1cc(ncc1Br)N AS04888 [1,0,0,0,0,0|2,1,0]=4 101 B8R1.3 c1cc(ncc1Cl)Cl AS04941 [1,0,0,0,0,0|2,1,0]=4 102 B8R1.3 c1cc(ncc1Cl)F AS04821 [1,0,0,0,0,0|2,1,0]=4 103 B8R1.3 c1cc(ncc1Cl)N AS04770 [1,0,0,0,0,0|2,1,0]=4 104 B8R1.3 c1cc(ncc1Cl)O AS04939 [1,0,0,0,0,0|1,1,1]=4 105 B8R1.3 c1cc(ncc1F)Br AS04782 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.3 c1cc(ncc1F)F AS04727 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.3 c1cc(ncc1F)N AS04771 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.3 c1cc(ncc1F)O AS04872 [1,0,0,0,0,0|1,0,1]=3 109 B8R1.3 c1cc(ncc1I)F AS04841 [1,0,0,0,0,0|2,1,0]=4 110 B8R1.3 c1cc(ncc1I)N AS02984 [1,0,0,0,0,0|2,1,0]=4 111 B8R1.3 c1cc(ncc1N)Cl AS04902 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.3 c1cc(ncc1N)F AS04778 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.3 c1cc(ncc1N)N AS04945 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.3 c1cc(ncc1O)F AS04834 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.4 Cc1cccc(c1)N AS06930 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.4 Cc1ccnc(c1)Br AS04905 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.4 Cc1ccnc(c1)Cl AS04706 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.4 Cc1ccnc(c1)F AS04730 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.4 c1cc(cc(c1)Br)N AS00407 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.4 c1cc(cc(c1)Cl)N AS04638 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.4 c1cc(cc(c1)F)N AS00826 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.4 c1cc(cc(c1)F)N AS06739 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.4 c1cc(cc(c1)I)N AS00421 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.4 c1cc(cc(c1)N)N AS06865 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.4 c1cc(cc(c1)O)N AS00213 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.4 c1cnc(cc1Br)F AS04796 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.4 c1cnc(cc1F)Br AS04781 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.4 c1cnc(cc1I)Cl AS04707 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.4 c1cnc(cc1N)F AS04716 [1,0,0,0,0,0|2,0,0]=3 130 B8R1.5 Cc1ccccc1F AS00300 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.5 Cc1ccccc1N AS01510 [1,0,0,0,0,0|3,0,0]=4 132 B8R1.5 Cc1ccncc1F AS04731 [1,0,0,0,0,0|2,0,0]=3 133 B8R1.5 Cc1cnccc1F AS04869 [1,0,0,0,0,0|3,0,0]=4 134 B8R1.5 c1cc(c(nc1)Br)F AS04780 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.5 c1cc(c(nc1)Cl)F AS04804 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.5 c1cc(c(nc1)F)F AS04883 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.5 c1cc(c(nc1)F)N AS04774 [1,0,0,0,0,0|3,0,0]=4 138 B8R1.5 c1cc(c(nc1)I)F AS04864 [1,0,0,0,0,0|2,0,1]=4 139 B8R1.5 c1ccc(c(c1)F)Br AS03287 [1,0,0,0,0,0|3,0,0]=4 140 B8R1.5 c1ccc(c(c1)F)Cl AS02728 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.5 c1ccc(c(c1)F)F AS00252 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.5 c1ccc(c(c1)F)I AS02178 [1,0,0,0,0,0|3,0,0]=4 143 B8R1.5 c1ccc(c(c1)F)S AS04132 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.5 c1ccc(c(c1)N)Br AS00913 [1,0,0,0,0,0|2,1,0]=4 145 B8R1.5 c1ccc(c(c1)N)F AS00827 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.5 c1ccc(c(c1)N)F AS01506 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.5 c1ccc(c(c1)N)I AS00404 [1,0,0,0,0,0|2,1,0]=4 148 B8R1.5 c1ccc(c(c1)N)O AS00211 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.5 c1ccc(c(c1)O)F AS00891 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.5 c1cncc(c1Br)F AS04797 [1,0,0,0,0,0|2,0,0]=3 151 B8R1.5 c1cncc(c1Cl)Br AS04702 [1,0,0,0,0,0|2,1,0]=4 152 B8R1.5 c1cncc(c1Cl)F AS04820 [1,0,0,0,0,0|2,0,0]=3 153 B8R1.5 c1cncc(c1I)Cl AS04936 [1,0,0,0,0,0|2,1,0]=4 154 B8R1.5 c1cncc(c1I)F AS04865 [1,0,0,0,0,0|2,0,0]=3 155 B8R1.5 c1cncc(c1N)F AS04775 [1,0,0,0,0,0|1,0,0]=2 156 B10R1.22 c1c(cc(c(c1N)F)F)F AS04107 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.30 c1cc(c(cc1Br)CN)F AS03305 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.30 c1cc(c(cc1Cl)CN)F AS02309 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.30 c1cc(c(cc1Cl)NN)F AS03277 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.30 c1cc(c(cc1F)CN)F AS02303 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.30 c1cc(c(cc1F)NN)F AS02001 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.30 c1cc(c(cc1F)NN)F AS03278 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.118 Cc1cc(c(cc1Br)F)N AS04057 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.118 Cc1cc(c(cc1Br)N)F AS00121 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.118 Cc1cc(c(cc1Cl)F)N AS05326 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.118 c1c(c(cc(c1Br)F)F)N AS04962 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.118 c1c(c(cc(c1Br)F)F)N AS06808 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.118 c1c(c(cc(c1Cl)F)F)N AS04964 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.118 c1c(c(cc(c1F)Br)F)N AS04111 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.118 c1c(c(cc(c1F)F)F)N AS00342 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.118 c1c(c(cc(c1O)Cl)F)N AS05417 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.119 c1cc(c(c(c1F)N)F)F AS00344 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.176 COc1cc(c(cn1)F)Br AS04799 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.176 COc1cc(c(cn1)F)I AS04873 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.176 COc1ccc(c(c1)N)F AS05424 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.176 Cc1cc(ccc1F)C=O AS01472 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.176 c1cc(c(cc1C#N)N)F AS01605 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.176 c1cc(c(cc1C=O)Br)F AS03018 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.176 c1cc(c(cc1C=O)Cl)F AS03021 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.176 c1cc(c(cc1C=O)F)F AS01454 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.176 c1cc(c(cc1C=O)I)F AS03887 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.176 c1cc(c(cc1C=O)I)F AS05596 [0,1,0,0,0,0|3,0,0]=4 183 B7R1.3 c1cc(cnc1)Br AS03469 [2,0,0,0,0,0|1,1,0]=4 184 B7R1.3 c1cc(cnc1)Cl AS02841 [2,0,0,0,0,0|1,1,0]=4 185 B7R1.3 c1cc(cnc1)F AS06189 [2,0,0,0,0,0|1,0,0]=3 186 B7R1.3 c1ccnc(c1)Cl AS06184 [2,0,0,0,0,0|2,0,0]=4 187 B7R1.3 c1ccnc(c1)F AS04826 [2,0,0,0,0,0|2,0,0]=4 188 B7R1.3 c1cnccc1F AS04868 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.1 COc1ccc(cn1)F AS04877 [1,1,0,0,0,0|1,0,1]=4 190 B9R1.1 c1cc(ccc1C=O)F AS02846 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.1 c1cc(ccc1C=O)F AS03001 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.15 c1ccc(c(c1)CN)F AS00832 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.15 c1ccc(c(c1)CN)F AS01936 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.15 c1ccc(c(c1)NN)F AS02017 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.15 c1ccc(c(c1)NN)F AS02959 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.21 CC(=O)c1ccc(c(c1)N)F AS04017 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.21 c1cc(c(cc1C(=O)O)N)F AS00976 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F AS03261 [0,2,0,0,0,0|2,0,0]=4