0 B7R1.4 Cc1cscc1Br AS06573 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 Cc1nccn1C AS07139 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.4 c1c(c(cs1)Br)Br AS06574 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 c1csc(c1Br)Cl AS06591 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.11 c1csc(c1C=O)Br AS06533 [0,1,0,0,0,0|1,2,0]=4 5 B8R1.11 c1csc(c1CO)Br AS06498 [0,1,0,0,0,0|1,2,0]=4 6 B8R1.4 Cc1cc(cnc1)Br AS04920 [0,0,0,0,0,1|3,0,0]=4 7 B8R1.4 Cc1cccc(c1)Br AS03472 [0,0,0,0,0,1|2,0,0]=3 8 B8R1.4 Cc1cccc(c1)Cl AS02842 [0,0,0,0,0,1|2,0,0]=3 9 B8R1.4 Cc1cccc(c1)F AS06924 [0,0,0,0,0,1|2,0,0]=3 10 B8R1.4 Cc1cccc(c1)I AS02293 [0,0,0,0,0,1|2,0,0]=3 11 B8R1.4 Cc1cccc(c1)N AS06930 [0,0,0,0,0,1|2,0,0]=3 12 B8R1.4 Cc1cccc(c1)S AS00077 [0,0,0,0,0,1|1,0,0]=2 13 B8R1.4 Cc1cccc(n1)Br AS04907 [0,0,0,0,0,1|2,0,0]=3 14 B8R1.4 Cc1cccc(n1)C AS04947 [0,0,0,0,0,1|2,0,0]=3 15 B8R1.4 Cc1cccc(n1)F AS04851 [0,0,0,0,0,1|2,0,0]=3 16 B8R1.4 Cc1ccnc(c1)Br AS04905 [0,0,0,0,0,1|3,0,0]=4 17 B8R1.4 Cc1ccnc(c1)Cl AS04706 [0,0,0,0,0,1|3,0,0]=4 18 B8R1.4 Cc1ccnc(c1)F AS04730 [0,0,0,0,0,1|3,0,0]=4 19 B8R1.4 c1cc(cc(c1)Br)Br AS03513 [0,0,0,0,0,1|3,0,0]=4 20 B8R1.4 c1cc(cc(c1)Br)Cl AS03127 [0,0,0,0,0,1|3,0,0]=4 21 B8R1.4 c1cc(cc(c1)Br)F AS03288 [0,0,0,0,0,1|3,0,0]=4 22 B8R1.4 c1cc(cc(c1)Br)N AS00407 [0,0,0,0,0,1|3,0,0]=4 23 B8R1.4 c1cc(cc(c1)Br)O AS00214 [0,0,0,0,0,1|2,1,0]=4 24 B8R1.4 c1cc(cc(c1)Cl)Cl AS00251 [0,0,0,0,0,1|3,0,0]=4 25 B8R1.4 c1cc(cc(c1)Cl)F AS00258 [0,0,0,0,0,1|3,0,0]=4 26 B8R1.4 c1cc(cc(c1)Cl)N AS04638 [0,0,0,0,0,1|3,0,0]=4 27 B8R1.4 c1cc(cc(c1)Cl)O AS02833 [0,0,0,0,0,1|2,1,0]=4 28 B8R1.4 c1cc(cc(c1)F)F AS00253 [0,0,0,0,0,1|3,0,0]=4 29 B8R1.4 c1cc(cc(c1)F)N AS00826 [0,0,0,0,0,1|3,0,0]=4 30 B8R1.4 c1cc(cc(c1)F)N AS06739 [0,0,0,0,0,1|3,0,0]=4 31 B8R1.4 c1cc(cc(c1)F)O AS00206 [0,0,0,0,0,1|2,1,0]=4 32 B8R1.4 c1cc(cc(c1)F)O AS00892 [0,0,0,0,0,1|2,1,0]=4 33 B8R1.4 c1cc(cc(c1)I)Br AS03361 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.4 c1cc(cc(c1)I)Cl AS03062 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.4 c1cc(cc(c1)I)F AS02179 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.4 c1cc(cc(c1)I)I AS02130 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.4 c1cc(cc(c1)I)N AS00421 [0,0,0,0,0,1|3,0,0]=4 38 B8R1.4 c1cc(cc(c1)I)O AS02284 [0,0,0,0,0,1|2,1,0]=4 39 B8R1.4 c1cc(cc(c1)N)N AS06865 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.4 c1cc(cc(c1)O)N AS00213 [0,0,0,0,0,1|2,1,0]=4 41 B8R1.4 c1cc(nc(c1)Br)Cl AS04699 [0,0,0,0,0,1|3,0,0]=4 42 B8R1.4 c1cc(nc(c1)Br)F AS04787 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.4 c1cc(nc(c1)Br)O AS04913 [0,0,0,0,0,1|2,1,0]=4 44 B8R1.4 c1cc(nc(c1)Cl)F AS04818 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.4 c1cc(nc(c1)F)F AS04884 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.4 c1cnc(cc1Br)F AS04796 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.4 c1cnc(cc1F)Br AS04781 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.4 c1cnc(cc1I)Cl AS04707 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.4 c1cnc(cc1N)F AS04716 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.5 Cc1c(cccn1)Br AS04917 [0,0,0,0,0,1|2,0,0]=3 51 B8R1.5 Cc1c(cccn1)N AS04896 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.5 Cc1ccccc1Br AS03471 [0,0,0,0,0,1|2,0,0]=3 53 B8R1.5 Cc1ccccc1F AS00300 [0,0,0,0,0,1|2,0,0]=3 54 B8R1.5 Cc1ccccc1I AS02292 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.5 Cc1ccccc1N AS01510 [0,0,0,0,0,1|2,0,0]=3 56 B8R1.5 Cc1ccccc1O AS00217 [0,0,0,0,0,1|1,1,0]=3 57 B8R1.5 Cc1cccnc1Cl AS06186 [0,0,0,0,0,1|2,0,0]=3 58 B8R1.5 Cc1cccnc1F AS04849 [0,0,0,0,0,1|2,0,0]=3 59 B8R1.5 Cc1ccncc1F AS04731 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.5 Cc1cnccc1F AS04869 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.5 c1cc(c(nc1)Br)Cl AS06964 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.5 c1cc(c(nc1)Br)F AS04780 [0,0,0,0,0,1|3,0,0]=4 63 B8R1.5 c1cc(c(nc1)Br)N AS04696 [0,0,0,0,0,1|3,0,0]=4 64 B8R1.5 c1cc(c(nc1)Cl)Br AS04700 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.5 c1cc(c(nc1)Cl)F AS04804 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.5 c1cc(c(nc1)Cl)N AS04895 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.5 c1cc(c(nc1)F)Br AS04791 [0,0,0,0,0,1|3,0,0]=4 68 B8R1.5 c1cc(c(nc1)F)F AS04883 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.5 c1cc(c(nc1)F)I AS04835 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.5 c1cc(c(nc1)F)N AS04774 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.5 c1cc(c(nc1)F)O AS04833 [0,0,0,0,0,1|2,1,0]=4 72 B8R1.5 c1cc(c(nc1)I)F AS04864 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.5 c1cc(c(nc1)O)Br AS04918 [0,0,0,0,0,1|2,1,0]=4 74 B8R1.5 c1ccc(c(c1)Br)Br AS03512 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.5 c1ccc(c(c1)Br)I AS03360 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.5 c1ccc(c(c1)Cl)Br AS03126 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.5 c1ccc(c(c1)Cl)Cl AS00250 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.5 c1ccc(c(c1)Cl)I AS03061 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.5 c1ccc(c(c1)F)Br AS03287 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.5 c1ccc(c(c1)F)Cl AS02728 [0,0,0,0,0,1|3,0,0]=4 81 B8R1.5 c1ccc(c(c1)F)F AS00252 [0,0,0,0,0,1|3,0,0]=4 82 B8R1.5 c1ccc(c(c1)F)I AS02178 [0,0,0,0,0,1|3,0,0]=4 83 B8R1.5 c1ccc(c(c1)F)S AS04132 [0,0,0,0,0,1|2,0,0]=3 84 B8R1.5 c1ccc(c(c1)I)I AS02129 [0,0,0,0,0,1|3,0,0]=4 85 B8R1.5 c1ccc(c(c1)N)Br AS00913 [0,0,0,0,0,1|3,0,0]=4 86 B8R1.5 c1ccc(c(c1)N)F AS00827 [0,0,0,0,0,1|3,0,0]=4 87 B8R1.5 c1ccc(c(c1)N)F AS01506 [0,0,0,0,0,1|3,0,0]=4 88 B8R1.5 c1ccc(c(c1)N)I AS00404 [0,0,0,0,0,1|3,0,0]=4 89 B8R1.5 c1ccc(c(c1)N)O AS00211 [0,0,0,0,0,1|2,1,0]=4 90 B8R1.5 c1ccc(c(c1)O)Br AS03449 [0,0,0,0,0,1|2,1,0]=4 91 B8R1.5 c1ccc(c(c1)O)F AS00891 [0,0,0,0,0,1|2,1,0]=4 92 B8R1.5 c1ccc(c(c1)O)I AS02283 [0,0,0,0,0,1|2,1,0]=4 93 B8R1.5 c1ccc(c(c1)S)Cl AS04136 [0,0,0,0,0,1|2,0,0]=3 94 B8R1.5 c1cncc(c1Br)F AS04797 [0,0,0,0,0,1|3,0,0]=4 95 B8R1.5 c1cncc(c1Cl)Br AS04702 [0,0,0,0,0,1|3,0,0]=4 96 B8R1.5 c1cncc(c1Cl)F AS04820 [0,0,0,0,0,1|3,0,0]=4 97 B8R1.5 c1cncc(c1I)Cl AS04936 [0,0,0,0,0,1|3,0,0]=4 98 B8R1.5 c1cncc(c1I)F AS04865 [0,0,0,0,0,1|3,0,0]=4 99 B8R1.5 c1cncc(c1N)F AS04775 [0,0,0,0,0,1|3,0,0]=4 100 B7R1.1 c1cc([nH]c1)C=O AS06197 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.2 CCc1cccc(c1)Br AS03253 [0,1,0,0,0,1|2,0,0]=4 102 B9R1.2 CCc1cccc(c1)N AS00465 [0,1,0,0,0,1|2,0,0]=4 103 B9R1.2 CCc1cccc(c1)O AS04468 [0,1,0,0,0,1|1,1,0]=4 104 B9R1.2 CNc1cccc(c1)O AS06505 [0,1,0,0,0,1|1,1,0]=4 105 B9R1.2 COc1cc(ccn1)Br AS04921 [0,1,0,0,0,1|2,0,0]=4 106 B9R1.2 COc1cccc(c1)Br AS04314 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.2 COc1cccc(c1)Cl AS02677 [0,1,0,0,0,1|2,0,0]=4 108 B9R1.2 COc1cccc(c1)F AS02585 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.2 COc1cccc(c1)I AS02207 [0,1,0,0,0,1|2,0,0]=4 110 B9R1.2 COc1cccc(c1)N AS01512 [0,1,0,0,0,1|2,0,0]=4 111 B9R1.2 COc1cccc(c1)O AS00218 [0,1,0,0,0,1|1,1,0]=4 112 B9R1.2 COc1cccc(c1)S AS00080 [0,1,0,0,0,1|1,0,0]=3 113 B9R1.2 COc1cccc(n1)Br AS04908 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.2 CSc1cccc(c1)Br AS04292 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.2 CSc1cccc(c1)Cl AS04288 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.2 CSc1cccc(c1)F AS04285 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.2 CSc1cccc(c1)I AS04300 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.2 CSc1cccc(c1)N AS04282 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.2 Cc1cccc(c1)C#N AS02590 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.2 Cc1cccc(c1)C=O AS02785 [0,1,0,0,0,1|1,1,0]=4 121 B9R1.2 Cc1cccc(c1)CCl AS00628 [0,1,0,0,0,1|2,0,0]=4 122 B9R1.2 Cc1cccc(c1)CF AS05991 [0,1,0,0,0,1|2,0,0]=4 123 B9R1.2 Cc1cccc(c1)CN AS00385 [0,1,0,0,0,1|2,0,0]=4 124 B9R1.2 Cc1cccc(c1)OC AS01016 [0,1,0,0,0,1|1,1,0]=4 125 B9R1.2 Cc1cccc(c1)SC AS04308 [0,1,0,0,0,1|1,0,0]=3 126 B9R1.2 c1cc(cc(c1)Br)CBr AS00624 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.2 c1cc(cc(c1)Br)CN AS02267 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.2 c1cc(cc(c1)Br)CN AS03102 [0,1,0,0,0,1|2,0,0]=4 129 B9R1.2 c1cc(cc(c1)Br)CO AS03953 [0,1,0,0,0,1|2,0,0]=4 130 B9R1.2 c1cc(cc(c1)Cl)CBr AS00001 [0,1,0,0,0,1|2,0,0]=4 131 B9R1.2 c1cc(cc(c1)Cl)CCl AS02066 [0,1,0,0,0,1|2,0,0]=4 132 B9R1.2 c1cc(cc(c1)Cl)CN AS00386 [0,1,0,0,0,1|2,0,0]=4 133 B9R1.2 c1cc(cc(c1)Cl)CN AS02688 [0,1,0,0,0,1|2,0,0]=4 134 B9R1.2 c1cc(cc(c1)Cl)CO AS03964 [0,1,0,0,0,1|2,0,0]=4 135 B9R1.2 c1cc(cc(c1)F)CBr AS00663 [0,1,0,0,0,1|2,0,0]=4 136 B9R1.2 c1cc(cc(c1)F)CCl AS00661 [0,1,0,0,0,1|2,0,0]=4 137 B9R1.2 c1cc(cc(c1)F)CF AS05720 [0,1,0,0,0,1|2,0,0]=4 138 B9R1.2 c1cc(cc(c1)F)CN AS00833 [0,1,0,0,0,1|2,0,0]=4 139 B9R1.2 c1cc(cc(c1)F)CN AS01937 [0,1,0,0,0,1|2,0,0]=4 140 B9R1.2 c1cc(cc(c1)F)CO AS03977 [0,1,0,0,0,1|2,0,0]=4 141 B9R1.2 c1cc(cc(c1)I)CBr AS00643 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.2 c1cc(cc(c1)I)CN AS02222 [0,1,0,0,0,1|2,0,0]=4 143 B9R1.2 c1cc(cc(c1)I)CN AS02300 [0,1,0,0,0,1|2,0,0]=4 144 B9R1.2 c1cc(cc(c1)I)CO AS03986 [0,1,0,0,0,1|2,0,0]=4 145 B9R1.2 c1cc(cc(c1)N)CO AS00403 [0,1,0,0,0,1|2,0,0]=4 146 B9R1.2 c1cc(cc(c1)O)CO AS00159 [0,1,0,0,0,1|1,1,0]=4 147 B9R1.2 c1cc(nc(c1)Br)CO AS04914 [0,1,0,0,0,1|2,0,0]=4 148 B9R1.3 Cc1cccc(c1Br)Br AS03582 [0,1,0,0,0,1|2,0,0]=4 149 B9R1.3 Cc1cccc(c1Br)C AS00265 [0,1,0,0,0,1|2,0,0]=4 150 B9R1.3 Cc1cccc(c1Br)F AS02047 [0,1,0,0,0,1|2,0,0]=4 151 B9R1.3 Cc1cccc(c1Br)I AS03370 [0,1,0,0,0,1|2,0,0]=4 152 B9R1.3 Cc1cccc(c1Br)N AS03411 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.3 Cc1cccc(c1C)Br AS00263 [0,1,0,0,0,1|2,0,0]=4 154 B9R1.3 Cc1cccc(c1C)Cl AS02701 [0,1,0,0,0,1|2,0,0]=4 155 B9R1.3 Cc1cccc(c1C)F AS01577 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.3 Cc1cccc(c1C)I AS02150 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.3 Cc1cccc(c1C)N AS01547 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.3 Cc1cccc(c1C)O AS00199 [0,1,0,0,0,1|1,1,0]=4 159 B9R1.3 Cc1cccc(c1Cl)Br AS03174 [0,1,0,0,0,1|2,0,0]=4 160 B9R1.3 Cc1cccc(c1Cl)C AS02706 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.3 Cc1cccc(c1Cl)Cl AS02894 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.3 Cc1cccc(c1Cl)I AS03075 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.3 Cc1cccc(c1Cl)N AS02803 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.3 Cc1cccc(c1F)Br AS02051 [0,1,0,0,0,1|2,0,0]=4 165 B9R1.3 Cc1cccc(c1F)C AS01578 [0,1,0,0,0,1|2,0,0]=4 166 B9R1.3 Cc1cccc(c1F)Cl AS02063 [0,1,0,0,0,1|2,0,0]=4 167 B9R1.3 Cc1cccc(c1F)F AS02068 [0,1,0,0,0,1|2,0,0]=4 168 B9R1.3 Cc1cccc(c1F)I AS02073 [0,1,0,0,0,1|2,0,0]=4 169 B9R1.3 Cc1cccc(c1F)N AS04088 [0,1,0,0,0,1|2,0,0]=4 170 B9R1.3 Cc1cccc(c1F)O AS01396 [0,1,0,0,0,1|1,1,0]=4 171 B9R1.3 Cc1cccc(c1I)Br AS03374 [0,1,0,0,0,1|2,0,0]=4 172 B9R1.3 Cc1cccc(c1I)C AS02152 [0,1,0,0,0,1|2,0,0]=4 173 B9R1.3 Cc1cccc(c1I)Cl AS03078 [0,1,0,0,0,1|2,0,0]=4 174 B9R1.3 Cc1cccc(c1I)F AS02032 [0,1,0,0,0,1|2,0,0]=4 175 B9R1.3 Cc1cccc(c1I)F AS05019 [0,1,0,0,0,1|2,0,0]=4 176 B9R1.3 Cc1cccc(c1I)I AS02146 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.3 Cc1cccc(c1I)N AS02254 [0,1,0,0,0,1|2,0,0]=4 178 B9R1.3 Cc1cccc(c1I)O AS06519 [0,1,0,0,0,1|1,1,0]=4 179 B9R1.3 Cc1cccc(c1N)Br AS05299 [0,1,0,0,0,1|2,0,0]=4 180 B9R1.3 Cc1cccc(c1N)C AS01550 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.3 Cc1cccc(c1N)Cl AS06940 [0,1,0,0,0,1|2,0,0]=4 182 B9R1.3 Cc1cccc(c1N)F AS04089 [0,1,0,0,0,1|2,0,0]=4 183 B9R1.3 Cc1cccc(c1N)N AS00446 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.3 Cc1cccc(c1N)O AS05432 [0,1,0,0,0,1|1,1,0]=4 185 B9R1.3 Cc1cccc(c1O)C AS00179 [0,1,0,0,0,1|2,0,0]=4 186 B9R1.3 Cc1cccc(c1O)Cl AS04496 [0,1,0,0,0,1|2,0,0]=4 187 B9R1.3 Cc1cccc(c1O)F AS05495 [0,1,0,0,0,1|2,0,0]=4 188 B9R1.34 Cc1cc(cc(c1)Br)Br AS00125 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.34 Cc1cc(cc(c1)Br)C AS03234 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.34 Cc1cc(cc(c1)Br)Cl AS03664 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.34 Cc1cc(cc(c1)Br)F AS01020 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.34 Cc1cc(cc(c1)Br)N AS03667 [0,1,0,0,0,1|2,0,0]=4 193 B9R1.34 Cc1cc(cc(c1)Br)O AS05454 [0,1,0,0,0,1|1,1,0]=4 194 B9R1.34 Cc1cc(cc(c1)Cl)C AS02705 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.34 Cc1cc(cc(c1)Cl)Cl AS06320 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.34 Cc1cc(cc(c1)Cl)N AS06942 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.34 Cc1cc(cc(c1)F)C AS01579 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.34 Cc1cc(cc(c1)F)F AS02072 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.34 Cc1cc(cc(c1)F)N AS03243 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.34 Cc1cc(cc(c1)I)Br AS03376 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.34 Cc1cc(cc(c1)I)C AS02154 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.34 Cc1cc(cc(c1)I)F AS02075 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.34 Cc1cc(cc(c1)O)C AS00190 [0,1,0,0,0,1|1,1,0]=4 204 B9R1.34 Cc1cc(cc(c1)S)C AS04133 [0,1,0,0,0,1|1,0,0]=3 205 B9R1.69 Cc1c(ccc(n1)Br)Br AS04946 [0,1,0,0,0,1|2,0,0]=4 206 B9R1.69 Cc1c(ccc(n1)Br)F AS04785 [0,1,0,0,0,1|2,0,0]=4 207 B9R1.69 Cc1c(ccc(n1)Cl)F AS04817 [0,1,0,0,0,1|2,0,0]=4 208 B9R1.69 Cc1c(ccc(n1)Cl)N AS04899 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.69 Cc1c(ccc(n1)F)Br AS04802 [0,1,0,0,0,1|2,0,0]=4 210 B9R1.69 Cc1c(ccc(n1)N)Br AS04889 [0,1,0,0,0,1|2,0,0]=4 211 B9R1.69 Cc1c(ccc(n1)N)Cl AS04695 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.69 Cc1cc(ccc1Br)Br AS00106 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.69 Cc1cc(ccc1Br)Cl AS03173 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.69 Cc1cc(ccc1Br)F AS01019 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.69 Cc1cc(ccc1Br)I AS03372 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.69 Cc1cc(ccc1Br)N AS03419 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.69 Cc1cc(ccc1Br)N AS04116 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.69 Cc1cc(ccc1Br)N AS06933 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.69 Cc1cc(ccc1Br)O AS06856 [0,1,0,0,0,1|1,1,0]=4 220 B9R1.69 Cc1cc(ccc1Cl)Br AS00100 [0,1,0,0,0,1|2,0,0]=4 221 B9R1.69 Cc1cc(ccc1Cl)Cl AS02895 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.69 Cc1cc(ccc1Cl)F AS02757 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.69 Cc1cc(ccc1Cl)I AS03077 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.69 Cc1cc(ccc1Cl)N AS02804 [0,1,0,0,0,1|2,0,0]=4 225 B9R1.69 Cc1cc(ccc1Cl)N AS02805 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.69 Cc1cc(ccc1F)Br AS03336 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.69 Cc1cc(ccc1F)Cl AS04754 [0,1,0,0,0,1|2,0,0]=4 228 B9R1.69 Cc1cc(ccc1F)F AS02070 [0,1,0,0,0,1|2,0,0]=4 229 B9R1.69 Cc1cc(ccc1F)I AS02074 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.69 Cc1cc(ccc1F)N AS03242 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.69 Cc1cc(ccc1F)O AS01400 [0,1,0,0,0,1|1,1,0]=4 232 B9R1.69 Cc1cc(ccc1I)Br AS03379 [0,1,0,0,0,1|2,0,0]=4 233 B9R1.69 Cc1cc(ccc1I)Cl AS00124 [0,1,0,0,0,1|2,0,0]=4 234 B9R1.69 Cc1cc(ccc1I)F AS02194 [0,1,0,0,0,1|2,0,0]=4 235 B9R1.69 Cc1cc(ccc1I)I AS02148 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.69 Cc1cc(ccc1I)O AS04647 [0,1,0,0,0,1|1,1,0]=4 237 B9R1.69 Cc1cc(ccc1N)Br AS00449 [0,1,0,0,0,1|2,0,0]=4 238 B9R1.69 Cc1cc(ccc1N)Br AS03418 [0,1,0,0,0,1|2,0,0]=4 239 B9R1.69 Cc1cc(ccc1N)Cl AS00413 [0,1,0,0,0,1|2,0,0]=4 240 B9R1.69 Cc1cc(ccc1N)F AS04091 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.69 Cc1cc(ccc1N)I AS02257 [0,1,0,0,0,1|2,0,0]=4 242 B9R1.69 Cc1cc(ccc1O)Br AS00228 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.69 Cc1cc(ccc1O)Br AS06250 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.69 Cc1cc(ccc1O)Cl AS02822 [0,1,0,0,0,1|2,0,0]=4 245 B9R1.69 Cc1cc(ccc1O)F AS01399 [0,1,0,0,0,1|2,0,0]=4 246 B9R1.69 Cc1ccc(c(c1)Br)Br AS00240 [0,1,0,0,0,1|2,0,0]=4 247 B9R1.69 Cc1ccc(c(c1)Br)Br AS02027 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.69 Cc1ccc(c(c1)Br)C AS00264 [0,1,0,0,0,1|2,0,0]=4 249 B9R1.69 Cc1ccc(c(c1)Br)Cl AS00084 [0,1,0,0,0,1|2,0,0]=4 250 B9R1.69 Cc1ccc(c(c1)Br)F AS03335 [0,1,0,0,0,1|2,0,0]=4 251 B9R1.69 Cc1ccc(c(c1)Br)I AS03375 [0,1,0,0,0,1|2,0,0]=4 252 B9R1.69 Cc1ccc(c(c1)Br)N AS03412 [0,1,0,0,0,1|2,0,0]=4 253 B9R1.69 Cc1ccc(c(c1)Br)N AS03417 [0,1,0,0,0,1|2,0,0]=4 254 B9R1.69 Cc1ccc(c(c1)C)Br AS03232 [0,1,0,0,0,1|2,0,0]=4 255 B9R1.69 Cc1ccc(c(c1)C)C AS00262 [0,1,0,0,0,1|2,0,0]=4 256 B9R1.69 Cc1ccc(c(c1)C)Cl AS02702 [0,1,0,0,0,1|2,0,0]=4 257 B9R1.69 Cc1ccc(c(c1)C)F AS00279 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.69 Cc1ccc(c(c1)C)I AS02153 [0,1,0,0,0,1|2,0,0]=4 259 B9R1.69 Cc1ccc(c(c1)C)N AS01548 [0,1,0,0,0,1|2,0,0]=4 260 B9R1.69 Cc1ccc(c(c1)Cl)Br AS03175 [0,1,0,0,0,1|2,0,0]=4 261 B9R1.69 Cc1ccc(c(c1)Cl)C AS02703 [0,1,0,0,0,1|2,0,0]=4 262 B9R1.69 Cc1ccc(c(c1)Cl)F AS02758 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.69 Cc1ccc(c(c1)Cl)I AS00145 [0,1,0,0,0,1|2,0,0]=4 264 B9R1.69 Cc1ccc(c(c1)Cl)N AS05330 [0,1,0,0,0,1|2,0,0]=4 265 B9R1.69 Cc1ccc(c(c1)Cl)O AS02819 [0,1,0,0,0,1|2,0,0]=4 266 B9R1.69 Cc1ccc(c(c1)F)Br AS00304 [0,1,0,0,0,1|2,0,0]=4 267 B9R1.69 Cc1ccc(c(c1)F)Cl AS02760 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.69 Cc1ccc(c(c1)F)F AS02071 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.69 Cc1ccc(c(c1)F)I AS02191 [0,1,0,0,0,1|2,0,0]=4 270 B9R1.69 Cc1ccc(c(c1)F)N AS00425 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.69 Cc1ccc(c(c1)I)Br AS03378 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.69 Cc1ccc(c(c1)I)C AS02155 [0,1,0,0,0,1|2,0,0]=4 273 B9R1.69 Cc1ccc(c(c1)I)F AS02193 [0,1,0,0,0,1|2,0,0]=4 274 B9R1.69 Cc1ccc(c(c1)I)I AS02149 [0,1,0,0,0,1|2,0,0]=4 275 B9R1.69 Cc1ccc(c(c1)I)N AS02255 [0,1,0,0,0,1|2,0,0]=4 276 B9R1.69 Cc1ccc(c(c1)N)Br AS06846 [0,1,0,0,0,1|2,0,0]=4 277 B9R1.69 Cc1ccc(c(c1)N)Br AS06967 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.69 Cc1ccc(c(c1)N)Cl AS04682 [0,1,0,0,0,1|2,0,0]=4 279 B9R1.69 Cc1ccc(c(c1)N)Cl AS06932 [0,1,0,0,0,1|2,0,0]=4 280 B9R1.69 Cc1ccc(c(c1)N)F AS03240 [0,1,0,0,0,1|2,0,0]=4 281 B9R1.69 Cc1ccc(c(c1)N)I AS04099 [0,1,0,0,0,1|2,0,0]=4 282 B9R1.69 Cc1ccc(c(c1)O)Br AS00227 [0,1,0,0,0,1|1,1,0]=4 283 B9R1.69 Cc1ccc(c(c1)O)C AS00223 [0,1,0,0,0,1|1,1,0]=4 284 B9R1.69 Cc1ccc(c(c1)O)Cl AS02820 [0,1,0,0,0,1|1,1,0]=4 285 B9R1.69 Cc1ccc(c(c1)O)F AS00182 [0,1,0,0,0,1|1,1,0]=4 286 B9R1.69 Cc1ccc(c(c1)O)O AS07054 [0,1,0,0,0,1|1,1,0]=4 287 B9R1.69 Cc1ccc(c(c1)S)C AS00079 [0,1,0,0,0,1|1,0,0]=3 288 B9R1.69 Cc1ccc(c(n1)Br)F AS04789 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.69 Cc1ccc(c(n1)Br)N AS04697 [0,1,0,0,0,1|2,0,0]=4 290 B9R1.69 Cc1ccc(c(n1)C)Br AS06965 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.69 Cc1ccc(c(n1)Cl)Br AS04915 [0,1,0,0,0,1|2,0,0]=4 292 B9R1.69 Cc1ccc(c(n1)Cl)F AS04723 [0,1,0,0,0,1|2,0,0]=4 293 B9R1.69 Cc1ccc(c(n1)F)I AS04836 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.69 Cc1ccc(c(n1)F)O AS04857 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.69 Cc1ccc(c(n1)N)Br AS04887 [0,1,0,0,0,1|2,0,0]=4 296 B9R1.69 Cc1ccc(cc1C)Br AS03659 [0,1,0,0,0,1|2,0,0]=4 297 B9R1.69 Cc1ccc(cc1C)Cl AS02704 [0,1,0,0,0,1|2,0,0]=4 298 B9R1.69 Cc1ccc(cc1C)F AS00280 [0,1,0,0,0,1|2,0,0]=4 299 B9R1.69 Cc1ccc(cc1C)I AS02151 [0,1,0,0,0,1|2,0,0]=4 300 B9R1.69 Cc1ccc(cc1C)N AS07069 [0,1,0,0,0,1|2,0,0]=4 301 B9R1.69 c1cc(c(cc1S)Cl)F AS05518 [0,1,0,0,0,1|2,0,0]=4 302 B9R1.69 c1cc(c(cc1S)F)F AS05521 [0,1,0,0,0,1|2,0,0]=4 303 B9R1.15 CCc1ccccc1Br AS03252 [0,1,0,0,0,1|2,0,0]=4 304 B9R1.15 CCc1ccccc1I AS02158 [0,1,0,0,0,1|2,0,0]=4 305 B9R1.15 CNc1ccccc1N AS04592 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.15 COc1c(cccn1)Br AS04919 [0,1,0,0,0,1|2,0,0]=4 307 B9R1.15 COc1c(cccn1)I AS04954 [0,1,0,0,0,1|2,0,0]=4 308 B9R1.15 COc1ccccc1Br AS02357 [0,1,0,0,0,1|2,0,0]=4 309 B9R1.15 COc1ccccc1Cl AS02676 [0,1,0,0,0,1|2,0,0]=4 310 B9R1.15 COc1ccccc1F AS01803 [0,1,0,0,0,1|2,0,0]=4 311 B9R1.15 COc1ccccc1I AS02206 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.15 COc1ccccc1N AS01503 [0,1,0,0,0,1|2,0,0]=4 313 B9R1.15 COc1ccncc1Br AS04703 [0,1,0,0,0,1|2,0,0]=4 314 B9R1.15 COc1ccncc1Cl AS04708 [0,1,0,0,0,1|2,0,0]=4 315 B9R1.15 CSc1ccccc1Br AS04291 [0,1,0,0,0,1|2,0,0]=4 316 B9R1.15 CSc1ccccc1Cl AS04287 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.15 CSc1ccccc1F AS04284 [0,1,0,0,0,1|2,0,0]=4 318 B9R1.15 CSc1ccccc1I AS04299 [0,1,0,0,0,1|2,0,0]=4 319 B9R1.15 CSc1ccccc1N AS04281 [0,1,0,0,0,1|2,0,0]=4 320 B9R1.15 CSc1ccccc1O AS04298 [0,1,0,0,0,1|1,1,0]=4 321 B9R1.15 Cc1ccccc1C=O AS02777 [0,1,0,0,0,1|1,1,0]=4 322 B9R1.15 Cc1ccccc1CBr AS02052 [0,1,0,0,0,1|2,0,0]=4 323 B9R1.15 Cc1ccccc1CCl AS03843 [0,1,0,0,0,1|2,0,0]=4 324 B9R1.15 Cc1ccccc1CN AS00380 [0,1,0,0,0,1|2,0,0]=4 325 B9R1.15 Cc1ccccc1NN AS02962 [0,1,0,0,0,1|2,0,0]=4 326 B9R1.15 Cc1ccccc1OC AS01015 [0,1,0,0,0,1|1,1,0]=4 327 B9R1.15 Cc1ccccc1SC AS04306 [0,1,0,0,0,1|1,0,0]=3 328 B9R1.15 Cc1ccncc1C#N AS04710 [0,1,0,0,0,1|2,0,0]=4 329 B9R1.15 c1ccc(c(c1)C#N)S AS06875 [0,1,0,0,0,1|1,0,1]=4 330 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [0,1,0,0,0,1|2,0,0]=4 331 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [0,1,0,0,0,1|2,0,0]=4 332 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [0,1,0,0,0,1|2,0,0]=4 333 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [0,1,0,0,0,1|2,0,0]=4 334 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [0,1,0,0,0,1|2,0,0]=4 335 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [0,1,0,0,0,1|2,0,0]=4 336 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [0,1,0,0,0,1|2,0,0]=4 338 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [0,1,0,0,0,1|2,0,0]=4 339 B9R1.15 c1ccc(c(c1)CN)F AS00832 [0,1,0,0,0,1|2,0,0]=4 340 B9R1.15 c1ccc(c(c1)CN)F AS01936 [0,1,0,0,0,1|2,0,0]=4 341 B9R1.15 c1ccc(c(c1)CN)I AS02221 [0,1,0,0,0,1|2,0,0]=4 342 B9R1.15 c1ccc(c(c1)CN)I AS02299 [0,1,0,0,0,1|2,0,0]=4 343 B9R1.15 c1ccc(c(c1)CN)N AS06598 [0,1,0,0,0,1|2,0,0]=4 344 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [0,1,0,0,0,1|2,0,0]=4 345 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [0,1,0,0,0,1|2,0,0]=4 346 B9R1.15 c1ccc(c(c1)CO)F AS03976 [0,1,0,0,0,1|2,0,0]=4 347 B9R1.15 c1ccc(c(c1)CO)I AS03985 [0,1,0,0,0,1|2,0,0]=4 348 B9R1.15 c1ccc(c(c1)CO)N AS00575 [0,1,0,0,0,1|2,0,0]=4 349 B9R1.15 c1ccc(c(c1)CO)O AS00547 [0,1,0,0,0,1|1,1,0]=4 350 B9R1.27 Cc1c(c(on1)C)CCl AS01230 [0,2,0,0,0,0|2,0,0]=4 351 B7R1.3 c1ccc(cc1)S AS04135 [0,0,1,1,0,0|1,0,1]=4