0 B10R1.118 CC1=CC(=O)C(=CC1=O)C TS36987 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.118 Cc1c(cc(c(n1)C)Br)Br TS47318 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.118 Cc1c(cc(c(n1)F)Br)Br TS85500 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.118 Cc1c(cc(c(n1)N)Br)Br TS47357 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.118 Cc1c(cc(c(n1)N)Cl)Cl TS13971 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.118 Cc1c(cc(c(n1)N)N)Br TS38196 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.118 Cc1c(cc(c(n1)O)Br)Br TS30358 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.118 Cc1c(nc(c(n1)C)C)C TS32734 [0,0,0,0,0,0|0,0,0]=0 8 B10R1.118 Cc1c(nc(c(n1)C)C)C TS94762 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.118 Cc1c(nc(c(n1)N)Br)Br TS22756 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.118 Cc1cc(c(cc1Br)C)Br TS29981 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.118 Cc1cc(c(cc1Br)C)Cl TS49664 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.118 Cc1cc(c(cc1Br)C)N TS37846 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.118 Cc1cc(c(cc1Br)C)O TS38038 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.118 Cc1cc(c(cc1C)Br)Br TS02895 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.118 Cc1cc(c(cc1C)C)C TS36865 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.118 Cc1cc(c(cc1C)Cl)O TS41714 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.118 Cc1cc(c(cc1C)I)I TS66272 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.118 Cc1cc(c(cc1C)I)N TS27560 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.118 Cc1cc(c(cc1C)I)O TS62516 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.118 Cc1cc(c(cc1C)N)C TS06007 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.118 Cc1cc(c(cc1C)N)N TS65268 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.118 Cc1cc(c(cc1C)O)C TS06097 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.118 Cc1cc(c(cc1C)S)C TS41198 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.118 Cc1cc(c(cc1Cl)C)Cl TS02133 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.118 Cc1cc(c(cc1Cl)C)N TS41557 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.118 Cc1cc(c(cc1Cl)C)S TS13279 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.118 Cc1cc(c(cc1I)C)I TS66273 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.118 Cc1cc(c(cc1I)C)N TS27556 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.118 Cc1cc(c(cc1I)C)O TS62514 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.118 Cc1cc(c(cc1N)C)N TS37047 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.118 Cc1cc(c(cc1N)N)C TS37028 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.118 Cc1cc(c(cc1O)C)N TS70865 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.118 Cc1cc(c(nc1Br)Br)Br TS00656 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 Cc1c(cc(cn1)Br)Br TS02571 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 Cc1c(cc(cn1)Br)Cl TS89257 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 Cc1c(cc(cn1)Br)N TS49019 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 Cc1c(cc(cn1)Br)O TS15906 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 Cc1c(cc(cn1)Cl)N TS88641 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.69 Cc1c(cc(cn1)N)Br TS03226 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 Cc1c(ccc(n1)Br)Br TS47246 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 Cc1c(ccc(n1)Br)F TS51005 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 Cc1c(ccc(n1)Br)F TS85438 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 Cc1c(ccc(n1)Br)N TS71351 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 Cc1c(ccc(n1)Cl)Br TS09467 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.69 Cc1c(ccc(n1)Cl)F TS55571 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 Cc1c(ccc(n1)Cl)I TS28512 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.69 Cc1c(ccc(n1)Cl)N TS65867 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 Cc1c(ccc(n1)F)Br TS09469 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.69 Cc1c(ccc(n1)F)I TS85259 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.69 Cc1c(ccc(n1)F)N TS36112 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.69 Cc1c(ccc(n1)N)Br TS47426 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.69 Cc1c(ccc(n1)N)Cl TS06806 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.69 Cc1c(ccc(n1)N)F TS09105 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.69 Cc1c(ccc(n1)N)I TS47434 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.69 Cc1c(ccc(n1)N)N TS32572 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.69 Cc1c(ccc(n1)O)Br TS09470 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.69 Cc1c(ccc(n1)O)N TS32613 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.69 Cc1c(cnc(n1)C)N TS00641 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.69 Cc1c(nc(cn1)N)Br TS50644 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.69 Cc1c(nnc(n1)N)C TS05027 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.69 Cc1cc(c(nc1)Br)Br TS47134 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.69 Cc1cc(c(nc1)Br)Cl TS08291 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.69 Cc1cc(c(nc1)Br)F TS51006 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.69 Cc1cc(c(nc1)Br)I TS55993 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.69 Cc1cc(c(nc1)Br)N TS55086 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.69 Cc1cc(c(nc1)C)Br TS48831 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.69 Cc1cc(c(nc1)C)C TS04868 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.69 Cc1cc(c(nc1)Cl)Cl TS11476 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.69 Cc1cc(c(nc1)Cl)F TS08396 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.69 Cc1cc(c(nc1)Cl)I TS28510 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.69 Cc1cc(c(nc1)Cl)N TS02676 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.69 Cc1cc(c(nc1)F)Br TS16862 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.69 Cc1cc(c(nc1)F)I TS02160 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.69 Cc1cc(c(nc1)N)Br TS08281 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.69 Cc1cc(c(nc1)N)O TS05015 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.69 Cc1cc(c(nc1)O)Br TS15901 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.69 Cc1cc(c(nc1)O)N TS32609 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.69 Cc1cc(cnc1Br)Br TS47243 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.69 Cc1cc(cnc1Br)Cl TS39092 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.69 Cc1cc(cnc1Br)F TS16270 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.69 Cc1cc(cnc1Br)I TS55994 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.69 Cc1cc(cnc1Br)O TS15904 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.69 Cc1cc(cnc1Cl)Cl TS47254 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.69 Cc1cc(cnc1Cl)F TS55240 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.69 Cc1cc(cnc1Cl)I TS28511 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.69 Cc1cc(cnc1Cl)N TS71355 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.69 Cc1cc(cnc1Cl)O TS90895 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.69 Cc1cc(cnc1F)Br TS71418 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.69 Cc1cc(cnc1F)Cl TS09836 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.69 Cc1cc(cnc1F)I TS25995 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.69 Cc1cc(cnc1F)N TS71359 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.69 Cc1cc(cnc1I)Br TS55995 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.69 Cc1cc(cnc1N)Br TS00769 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.69 Cc1cc(cnc1N)Cl TS47374 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.69 Cc1cc(cnc1N)F TS03314 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.69 Cc1cc(cnc1N)I TS47433 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.69 Cc1cc(cnc1N)N TS32578 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.69 Cc1cc(cnc1O)Br TS01048 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.69 Cc1cc(cnc1O)Cl TS06904 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.69 Cc1cc(cnc1O)I TS25667 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.69 Cc1cc(cnc1O)N TS05009 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.69 Cc1cc(nnc1Cl)C TS90980 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.69 Cc1ccc(c(c1)Br)C TS47274 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 Cc1ccc(c(c1)C)Br TS46909 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.69 Cc1ccc(c(c1)C)C TS04828 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.69 Cc1ccc(c(c1)C)Cl TS37451 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 Cc1ccc(c(c1)C)F TS05028 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 Cc1ccc(c(c1)C)I TS25159 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.69 Cc1ccc(c(c1)C)N TS07913 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.69 Cc1ccc(c(c1)C)N TS10928 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.69 Cc1ccc(c(c1)C)O TS04909 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.69 Cc1ccc(c(c1)C)S TS06302 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 Cc1ccc(c(c1)C)S TS93257 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 Cc1ccc(c(c1)Cl)C TS37459 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 Cc1ccc(c(c1)F)C TS05029 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 Cc1ccc(c(c1)I)C TS53267 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 Cc1ccc(c(c1)N)C TS32478 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 Cc1ccc(c(c1)O)C TS47276 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.69 Cc1ccc(c(c1)S)C TS59929 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.69 Cc1ccc(c(c1)[Zn+])C TS55968 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.69 Cc1ccc(c(n1)Br)Br TS47137 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.69 Cc1ccc(c(n1)Br)F TS08296 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.69 Cc1ccc(c(n1)Br)N TS02622 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.69 Cc1ccc(c(n1)Br)O TS15902 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.69 Cc1ccc(c(n1)C)Br TS60331 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.69 Cc1ccc(c(n1)C)N TS39700 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.69 Cc1ccc(c(n1)C)O TS47319 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.69 Cc1ccc(c(n1)Cl)Br TS16856 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.69 Cc1ccc(c(n1)Cl)Cl TS11475 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.69 Cc1ccc(c(n1)Cl)F TS07142 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.69 Cc1ccc(c(n1)Cl)N TS02626 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.69 Cc1ccc(c(n1)Cl)O TS40117 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.69 Cc1ccc(c(n1)F)Br TS16863 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.69 Cc1ccc(c(n1)F)I TS65046 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.69 Cc1ccc(c(n1)F)N TS36113 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.69 Cc1ccc(c(n1)F)O TS02159 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.69 Cc1ccc(c(n1)I)O TS60300 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 Cc1ccc(c(n1)N)Br TS60256 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.69 Cc1ccc(c(n1)N)I TS39254 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.69 Cc1ccc(c(n1)N)N TS32571 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.69 Cc1ccc(c(n1)N)O TS08957 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.69 Cc1ccc(c(n1)O)Br TS65901 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 Cc1ccc(cc1C)Br TS39736 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.69 Cc1ccc(cc1C)Cl TS37457 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 Cc1ccc(cc1C)F TS65457 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 Cc1ccc(cc1C)I TS25161 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.69 Cc1ccc(cc1C)N TS32462 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.69 Cc1ccc(cc1C)O TS00123 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.69 Cc1ccc(cc1C)S TS06303 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.69 Cc1ccc(nc1C)C TS04872 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.69 Cc1ccc(nc1C)C TS26913 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.69 Cc1ccc(nc1C)N TS04919 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.69 Cc1ccc(nc1Cl)Cl TS11473 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.69 Cc1ccc(nc1N)C TS02606 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.69 Cc1cnc(c(n1)Br)N TS08280 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.69 Cc1cnc(c(n1)C)C TS04917 [1,0,0,0,0,0|0,0,0]=1 157 B9R1.69 Cc1cnc(c(n1)C)N TS08856 [1,0,0,0,0,0|1,0,0]=2 158 B9R1.69 Cc1cnc(c(n1)Cl)C TS06805 [1,0,0,0,0,0|1,0,0]=2 159 B9R1.69 c1c(nc(c(n1)Br)Cl)N TS90011 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.69 c1c(nc(c(n1)Br)N)Br TS86001 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.69 c1c(nc(c(n1)Br)N)Cl TS89316 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.69 c1c(nc(c(n1)Cl)Br)Br TS90110 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.69 c1c(nc(c(n1)N)Br)Br TS08272 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.69 c1c(nc(c(n1)N)Cl)Br TS91666 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.69 c1c(nc(c(n1)N)Cl)I TS92173 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.69 c1c(nc(c(n1)N)N)Br TS88045 [1,0,0,0,0,0|3,0,0]=4 167 B9R1.69 c1c(nc(c(n1)O)Br)Br TS02569 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.32 Cc1c(c(nc(c1Br)C)C)Br TS02566 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.32 Cc1c(nc(c(c1Cl)C)Cl)C TS16294 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.32 Cc1cc(c(c(c1C)Br)C)C TS44301 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.32 Cc1cc(c(c(c1C)Br)N)C TS21618 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.32 Cc1cc(c(c(c1C)C)C)C TS29497 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.32 Cc1cc(c(c(c1C)C)C)I TS29430 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.32 Cc1cc(c(c(c1C)I)C)C TS68334 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.32 Cc1cc(c(c(c1C)O)C)C TS09921 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.277 Cc1cc(c(cc1Br)C)OC TS21834 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.277 Cc1cc(c(cc1C)C#C)C TS07001 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.277 Cc1cc(c(cc1C)C=O)C TS40653 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.277 Cc1cc(c(cc1C)I)OC TS68564 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.277 Cc1cc(c(cc1I)C)OC TS68563 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.37 CC1=C(C(=C(C1)C)C)C TS04927 [0,0,0,0,1,0|1,0,0]=2 182 B9R1.37 CC1=C(C(=O)OC1=O)C TS22983 [0,0,0,0,1,0|3,0,0]=4 183 B9R1.37 Cc1c(c([nH]c1C)C)C TS32586 [0,0,0,0,1,0|0,0,1]=2 184 B9R1.37 Cc1c(c(n(n1)C)C)Br TS22718 [0,0,0,0,1,0|2,0,0]=3 185 B9R1.37 Cc1c(c(n(n1)C)C)I TS25827 [0,0,0,0,1,0|2,0,0]=3 186 B9R1.37 Cc1c(c(sc1Br)Br)C TS30737 [0,0,0,0,1,0|3,0,0]=4 187 B9R1.37 Cc1c(c(sc1C)C)C TS37430 [0,0,0,0,1,0|1,0,0]=2 188 B9R1.37 Cc1c(n(c(n1)C)C)C TS36019 [0,0,0,0,1,0|1,0,0]=2 189 B9R1.37 Cc1c(sc(c1I)C)C TS63084 [0,0,0,0,1,0|2,0,0]=3 190 B8R1.3 Cc1ccc(cc1)C TS04096 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.3 Cc1ccc(cc1)C TS77016 [2,0,0,0,0,0|2,0,0]=4 192 B8R1.3 Cc1ccc(cn1)Br TS09799 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.3 Cc1ccc(cn1)Cl TS71507 [2,0,0,0,0,0|2,0,0]=4 194 B8R1.3 Cc1ccc(cn1)F TS03302 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.3 Cc1ccc(cn1)I TS71574 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.3 Cc1ccc(cn1)N TS65872 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.3 Cc1ccc(cn1)O TS71569 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.3 Cc1ccc(nc1)Br TS55127 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.3 Cc1ccc(nc1)C TS47280 [2,0,0,0,0,0|1,0,0]=3 200 B8R1.3 Cc1ccc(nc1)Cl TS00914 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.3 Cc1ccc(nc1)F TS01010 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.3 Cc1ccc(nc1)N TS07049 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.3 Cc1ccc(nc1)N TS47444 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.3 Cc1ccc(nc1)O TS01053 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.3 Cc1ccc(nc1)S TS05105 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.3 Cc1ccc(nn1)C TS94711 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.3 Cc1cnc(cn1)Br TS89981 [2,0,0,0,0,0|1,0,0]=3 208 B8R1.3 Cc1cnc(cn1)C TS47279 [2,0,0,0,0,0|0,0,0]=2 209 B8R1.3 Cc1cnc(cn1)N TS47443 [2,0,0,0,0,0|1,0,0]=3 210 B8R1.3 c1c(ncc(n1)Br)Br TS47250 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.3 c1c(ncc(n1)Br)Cl TS89584 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.3 c1c(ncc(n1)Br)N TS47430 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.3 c1c(ncc(n1)Br)O TS08345 [2,0,0,0,0,0|2,0,0]=4 214 B8R1.3 c1c(ncc(n1)Cl)Cl TS00665 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.3 c1c(ncc(n1)Cl)N TS00777 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.3 c1c(ncc(n1)Cl)O TS71495 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.3 c1c(ncc(n1)I)Br TS89956 [2,0,0,0,0,0|2,0,0]=4 218 B8R1.4 CC1=CCC=C(C1)C TS04144 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.4 Cc1cc(cnc1)Br TS65935 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.4 Cc1cc(cnc1)C TS31757 [2,0,0,0,0,0|1,0,0]=3 221 B8R1.4 Cc1cc(cnc1)Cl TS66000 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.4 Cc1cc(cnc1)F TS70587 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.4 Cc1cc(cnc1)N TS02653 [2,0,0,0,0,0|2,0,0]=4 224 B8R1.4 Cc1cc(cnc1)O TS70616 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.4 Cc1cccc(c1)C TS04101 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.4 Cc1cccc(n1)Br TS08371 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.4 Cc1cccc(n1)Br TS94756 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.4 Cc1cccc(n1)C TS60248 [2,0,0,0,0,0|1,0,0]=3 229 B8R1.4 Cc1cccc(n1)Cl TS00936 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.4 Cc1cccc(n1)F TS55370 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.4 Cc1cccc(n1)I TS59623 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.4 Cc1cccc(n1)N TS47459 [2,0,0,0,0,0|2,0,0]=4 233 B8R1.4 Cc1cccc(n1)O TS01270 [2,0,0,0,0,0|2,0,0]=4 234 B8R1.4 Cc1cccc(n1)S TS05106 [2,0,0,0,0,0|2,0,0]=4 235 B8R1.4 Cc1cncc(n1)Br TS08370 [2,0,0,0,0,0|1,0,0]=3 236 B8R1.4 Cc1cncc(n1)C TS31775 [2,0,0,0,0,0|0,0,0]=2 237 B8R1.4 Cc1cncc(n1)Cl TS00934 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.4 Cc1cncc(n1)N TS01269 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.4 Cc1cncc(n1)O TS01059 [2,0,0,0,0,0|1,0,0]=3 240 B8R1.4 c1c(nc(cn1)Br)Cl TS85131 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.4 c1c(nc(cn1)Br)F TS13949 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.4 c1c(nc(cn1)Cl)Cl TS34637 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.4 c1c(nc(cn1)Cl)N TS00803 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.5 Cc1c(cccn1)Br TS65908 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.5 Cc1c(cccn1)Cl TS65978 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.5 Cc1c(cccn1)F TS70573 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.5 Cc1c(cccn1)I TS02809 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.5 Cc1c(cccn1)N TS31778 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.5 Cc1c(cccn1)O TS87617 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.5 Cc1c(nccn1)Br TS08309 [2,0,0,0,0,0|1,0,0]=3 251 B8R1.5 Cc1c(nccn1)C TS47169 [2,0,0,0,0,0|0,0,0]=2 252 B8R1.5 Cc1c(nccn1)Cl TS55202 [2,0,0,0,0,0|1,0,0]=3 253 B8R1.5 Cc1c(nccn1)I TS89593 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.5 Cc1c(nccn1)N TS00719 [2,0,0,0,0,0|1,0,0]=3 255 B8R1.5 Cc1c(nccn1)O TS55386 [2,0,0,0,0,0|1,0,0]=3 256 B8R1.5 Cc1ccccc1C TS04099 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.5 Cc1cccnc1Br TS08310 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.5 Cc1cccnc1C TS07903 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.5 Cc1cccnc1Cl TS55203 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.5 Cc1cccnc1F TS08402 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.5 Cc1cccnc1I TS01069 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.5 Cc1cccnc1N TS00720 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.5 Cc1cccnc1N TS01794 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.5 Cc1cccnc1O TS31800 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.5 Cc1cccnc1[Zn+] TS26092 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.5 c1cnc(c(n1)Cl)Cl TS47153 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.5 c1cnc(c(n1)N)Br TS08285 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.5 c1cnc(c(n1)N)Cl TS05505 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.5 c1cnc(c(n1)N)N TS00549 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.5 c1cnc(c(n1)O)O TS04272 [2,0,0,0,0,0|2,0,0]=4 271 B10R1.22 Cc1cc(c(c(c1)C)C)C TS36856 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.22 Cc1cc(c(c(c1)O)C)C TS06087 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.22 Cc1cc(c(c(n1)C)Br)Br TS68906 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.25 CCc1c(nc(cn1)C)C TS37031 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.25 CCc1ccc(nc1N)C TS06103 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.25 Cc1c(ccc(n1)F)CO TS06581 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.25 Cc1c(ccc(n1)N)CN TS06202 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.25 Cc1c(ccc(n1)N)OC TS37202 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.25 Cc1cc(cnc1OC)Br TS85280 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.25 Cc1cc(cnc1OC)F TS39347 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.25 Cc1ccc(c(n1)Br)OC TS19318 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.25 Cc1ccc(c(n1)C)C=O TS00707 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.25 Cc1ccc(c(n1)C)CO TS06194 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.25 Cc1cnc(c(n1)C)SC TS41413 [1,1,0,0,0,0|0,0,0]=2 291 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.30 COc1c(ncc(n1)Br)N TS16991 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.30 Cc1c(cc(cn1)Br)OC TS19314 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.30 Cc1ccc(c(n1)CO)O TS06364 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.119 Cc1ccc(c(c1C)C)C TS59878 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.119 Cc1ccc(c(c1C)F)C TS06284 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.119 Cc1ccc(c(c1C)O)C TS06083 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.176 CCc1ccc(c(c1)C)C TS05926 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.176 CCc1cnc(c(n1)C)C TS37046 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.176 Cc1c(ccc(n1)OC)Br TS85459 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.176 Cc1c(ccc(n1)OC)F TS71540 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.176 Cc1c(ccc(n1)OC)N TS45872 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.176 Cc1c(ccc(n1)OC)N TS71364 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.176 Cc1cc(cnc1Cl)CO TS10913 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.176 Cc1ccc(cc1C)CCl TS41472 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.176 Cc1ccc(cc1C)CN TS65456 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.176 Cc1ccc(cc1C)CO TS65455 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.176 Cc1ccc(cc1C)OC TS06079 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.34 Cc1c(n(c(n1)C=O)C)C TS08683 [0,1,0,0,1,0|1,0,1]=4 320 B10R1.191 CC1=C(C(=C(C1[K])C)C)C TS11318 [0,1,0,0,1,0|1,0,0]=3 321 B10R1.191 CC1C(=C(C(=C1C)C)C)C TS06127 [0,1,0,0,1,0|1,0,0]=3 322 B10R1.191 C[c-]1c(c(c(c1C)C)C)C TS11012 [0,1,0,0,1,0|1,0,0]=3 323 B10R1.191 C[c-]1c(c(c(c1C)C)C)C TS13574 [0,1,0,0,1,0|1,0,0]=3 324 B10R1.256 Cc1c(c(n(n1)C)C)C=O TS01595 [0,1,0,0,1,0|1,0,1]=4 325 B10R1.256 Cc1c(sc(c1C=O)C)C TS41404 [0,1,0,0,1,0|1,0,1]=4 326 B12R1.705 Cc1cc(c(c(c1C)CCl)C)C TS15077 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)C)C)C TS42739 [0,2,0,0,0,0|2,0,0]=4 328 B12R1.3795 Cc1c(c(c(c(c1C)C)Br)C)C TS24326 [0,2,0,0,0,0|2,0,0]=4 329 B12R1.3795 Cc1c(c(c(c(c1C)C)C)C)C TS11625 [0,2,0,0,0,0|2,0,0]=4 330 B12R1.3795 Cc1c(c(c(c(c1C)C)I)C)C TS74426 [0,2,0,0,0,0|2,0,0]=4 331 B12R1.3795 Cc1c(c(c(c(c1I)C)C)I)C TS80557 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.3795 Cc1c(c(c(c(c1N)C)C)N)C TS11943 [0,2,0,0,0,0|2,0,0]=4 333 B12R1.3795 Cc1c(c(c(c(c1O)C)C)O)C TS43113 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,2,0,0,0,0|2,0,0]=4 335 B12R1.448 Cc1cc(c(cc1C)CO)CO TS43117 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.448 Cc1cc(c(cc1C)CS)CS TS54107 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.449 Cc1cc(c(cc1CCl)CCl)C TS19528 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.449 Cc1cc(c(cc1CN)CN)C TS11926 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.450 Cc1cc(c(cc1CBr)C)CBr TS35470 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.450 Cc1cc(c(cc1CCl)C)CCl TS19529 [0,2,0,0,0,0|2,0,0]=4 341 B12R1.1123 Cc1cc(c(cc1C)CC#N)C TS42079 [0,2,0,0,0,0|2,0,0]=4 342 B8R1.18 Cc1c(cn(n1)C)Br TS88783 [1,0,0,0,1,0|2,0,0]=4 343 B8R1.18 Cc1c(cn(n1)C)Cl TS36572 [1,0,0,0,1,0|2,0,0]=4 344 B8R1.18 Cc1c(cn(n1)C)N TS91570 [1,0,0,0,1,0|2,0,0]=4 345 B8R1.18 Cc1c(nc([nH]1)S)C TS36322 [1,0,0,0,1,0|1,0,1]=4 346 B8R1.18 Cc1c(oc(n1)C)C TS00589 [1,0,0,0,1,0|1,0,0]=3 347 B8R1.18 Cc1c(sc(n1)C)Br TS16973 [1,0,0,0,1,0|2,0,0]=4 348 B8R1.18 Cc1c(sc(n1)C)C TS36251 [1,0,0,0,1,0|1,0,0]=3 349 B8R1.18 Cc1c(sc(n1)N)C TS11966 [1,0,0,0,1,0|2,0,0]=4 350 B8R1.18 Cc1c(sc(n1)S)C TS40347 [1,0,0,0,1,0|2,0,0]=4 351 B8R1.18 Cc1cc(c(o1)C)S TS36314 [1,0,0,0,1,0|2,0,0]=4 352 B8R1.18 Cc1cc(n(n1)C)Br TS13619 [1,0,0,0,1,0|2,0,0]=4 353 B8R1.18 Cc1cc(n(n1)C)C TS00358 [1,0,0,0,1,0|1,0,0]=3 354 B8R1.18 Cc1cc(n(n1)C)Cl TS36569 [1,0,0,0,1,0|2,0,0]=4 355 B8R1.18 Cc1cc(n(n1)C)N TS07392 [1,0,0,0,1,0|2,0,0]=4 356 B8R1.18 Cc1cc(n(n1)C)N TS31880 [1,0,0,0,1,0|2,0,0]=4 357 B8R1.18 Cc1cc(nn1C)Br TS13617 [1,0,0,0,1,0|2,0,0]=4 358 B8R1.18 Cc1cc(nn1C)N TS31883 [1,0,0,0,1,0|2,0,0]=4 359 B8R1.18 Cc1cc(sc1C)C TS36170 [1,0,0,0,1,0|1,0,0]=3 360 B8R1.50 Cc1c(c(n[nH]1)C)Br TS09569 [1,0,0,0,1,0|2,0,0]=4 361 B8R1.50 Cc1c(c(n[nH]1)C)Cl TS36571 [1,0,0,0,1,0|2,0,0]=4 362 B8R1.50 Cc1c(c(n[nH]1)C)I TS02203 [1,0,0,0,1,0|2,0,0]=4 363 B8R1.50 Cc1c(c(n[nH]1)C)N TS31882 [1,0,0,0,1,0|2,0,0]=4 364 B8R1.50 Cc1c(c(on1)C)Br TS39325 [1,0,0,0,1,0|2,0,0]=4 365 B8R1.50 Cc1c(c(on1)C)I TS65803 [1,0,0,0,1,0|2,0,0]=4 366 B8R1.50 Cc1c(c(on1)C)N TS04295 [1,0,0,0,1,0|2,0,0]=4 367 B8R1.50 Cc1c(n(cn1)C)C TS04206 [1,0,0,0,1,0|1,0,0]=3 368 B8R1.50 Cc1c(noc1N)C TS04297 [1,0,0,0,1,0|2,0,0]=4 369 B8R1.50 Cc1c(onc1Br)C TS46035 [1,0,0,0,1,0|2,0,0]=4 370 B8R1.50 Cc1c(onc1N)C TS65850 [1,0,0,0,1,0|2,0,0]=4 371 B8R1.50 Cc1ccc(n1C)C TS31807 [1,0,0,0,1,0|2,0,0]=4 372 B8R1.50 Cc1csc([n+]1C)C TS28734 [1,0,0,0,1,0|2,0,0]=4 373 B8R1.50 Cc1nnc(n1C)C TS31881 [1,0,0,0,1,0|2,0,0]=4