0 B7R1.3 c1c(cncn1)Br CM14047 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 c1cc(cnc1)F CM13853 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 c1ccnc(c1)Cl CM13847 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 c1cnc(nc1)Br CM14046 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 c1cnc(nc1)Cl CM14045 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 c1cnc(nc1)I CM14295 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 c1cncnc1N CM10689 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 COc1cccnc1 CM10357 [0,1,0,0,0,0|1,0,0]=2 8 B8R1.3 Cc1ccc(=O)[nH]n1 CM11032 [0,1,0,0,0,0|2,0,1]=4 9 B8R1.3 Cc1ccc(cn1)N CM14483 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.3 Cc1ccc(nn1)Br CM11114 [0,1,0,0,0,0|3,0,0]=4 11 B8R1.3 Cc1ncc(cn1)Br CM10466 [0,1,0,0,0,0|3,0,0]=4 12 B8R1.3 c1c(cnc(n1)Br)Br CM14294 [0,1,0,0,0,0|3,0,0]=4 13 B8R1.3 c1c(cnc(n1)Cl)Br CM14376 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.3 c1c(cnc(n1)Cl)O CM14258 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.3 c1c(cnc(n1)F)Br CM14351 [0,1,0,0,0,0|3,0,0]=4 16 B8R1.3 c1c(cnc(n1)I)Br CM14354 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.3 c1c(cnc(n1)I)Cl CM14283 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.3 c1c(cnc(n1)N)Br CM14050 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.3 c1c(ncc(n1)Br)F CM10435 [0,1,0,0,0,0|3,0,0]=4 20 B8R1.3 c1c(ncc(n1)Cl)Cl CM10433 [0,1,0,0,0,0|3,0,0]=4 21 B8R1.3 c1cc(ccc1Br)Br CM12170 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.3 c1cc(ccc1Br)I CM12101 [0,1,0,0,0,0|1,0,0]=2 23 B8R1.3 c1cc(ccc1I)I CM12236 [0,1,0,0,0,0|1,0,0]=2 24 B8R1.3 c1cc(ccc1O)F CM11750 [0,1,0,0,0,0|0,0,0]=1 25 B8R1.3 c1cc(ncc1Br)Br CM14111 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.3 c1cc(ncc1Br)F CM14457 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.3 c1cc(ncc1F)Br CM14029 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.3 c1cc(ncc1N)Cl CM13842 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.4 Cc1cccc(n1)Br CM14044 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.4 Cc1ccnc(n1)Cl CM13850 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.4 c1c(cncc1Br)F CM14471 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.4 c1c(cncc1Br)N CM14469 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.4 c1c(cncc1Br)O CM14470 [0,1,0,0,0,0|1,0,0]=2 34 B8R1.4 c1c(cncc1Cl)O CM10662 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.4 c1c(cncc1F)O CM10665 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.4 c1c(cncc1O)O CM10452 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.4 c1c(cnnc1Br)Br CM11074 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.4 c1c(ncnc1Br)Br CM10428 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.4 c1c(ncnc1O)N CM11043 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.4 c1cc(c[n+](c1)[O-])Cl CM10322 [0,1,0,0,0,0|1,0,1]=3 41 B8R1.4 c1cc(cc(c1)Br)Br CM12169 [0,1,0,0,0,0|1,0,0]=2 42 B8R1.4 c1cc(cc(c1)Br)Cl CM12036 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.4 c1cc(cc(c1)Br)N CM10037 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.4 c1cc(cc(c1)F)N CM11453 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.4 c1cc(cc(c1)F)O CM11748 [0,1,0,0,0,0|0,0,0]=1 46 B8R1.4 c1cc(cc(c1)I)Br CM12100 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.4 c1cc(cc(c1)I)I CM12235 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.4 c1cc(nc(c1)Br)O CM10270 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.4 c1cnc(cc1Br)N CM14041 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.4 c1cnc(cc1Cl)Cl CM14034 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.4 c1cnc(cc1I)Cl CM14039 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.4 c1cnc(cc1I)O CM10195 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.4 c1cnc(cc1O)Br CM10678 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.4 c1cnc(nc1Br)Br CM10427 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.4 c1cnc(nc1Br)Cl CM10078 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.4 c1cnc(nc1Br)N CM10436 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.4 c1cnc(nc1N)Br CM10437 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.5 Cc1c(cccn1)N CM14488 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.5 Cc1cccnc1Cl CM13849 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.5 c1c(c(ncn1)N)Br CM10426 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.5 c1c(c(ncn1)N)N CM14060 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.5 c1cc(c(nc1)N)N CM14021 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.5 c1cc(c(nc1)O)F CM10987 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.5 c1ccc(c(c1)F)Cl CM12138 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.5 c1ccc(c(c1)I)I CM12234 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.5 c1ccc(c(c1)N)Br CM11265 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.5 c1ccc(c(c1)N)I CM11493 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.5 c1cnc(c(n1)N)Br CM10652 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.5 c1cnc(c(n1)N)O CM10654 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.5 c1cncc(c1Cl)Cl CM10292 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.5 c1cncc(c1N)F CM10153 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.5 c1cncc(c1N)N CM14022 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.72 C1=CC(NC=C1)(N)Br CM13841 [0,1,0,0,0,0|2,0,1]=4 74 B6R1.2 C1C=CCC1O CM14094 [0,0,0,0,1,0|0,0,3]=4 75 B6R1.2 Cc1cc[nH]n1 CM14373 [0,0,0,0,1,0|3,0,0]=4 76 B6R1.2 c1c(cn[nH]1)Br CM10025 [0,0,0,0,1,0|3,0,0]=4 77 B6R1.2 c1c(nc[nH]1)Br CM14070 [0,0,0,0,1,0|3,0,0]=4 78 B6R1.2 c1c(ncs1)Br CM10700 [0,0,0,0,1,0|3,0,0]=4 79 B6R1.2 c1c(scn1)Br CM10418 [0,0,0,0,1,0|3,0,0]=4 80 B6R1.2 c1c(scn1)I CM10701 [0,0,0,0,1,0|3,0,0]=4 81 B6R1.2 c1ccn(c1)N CM14097 [0,0,0,0,1,0|2,0,0]=3 82 B6R1.2 c1co[nH]c1=O CM10160 [0,0,0,0,1,0|2,0,1]=4 83 B6R1.2 c1conc1N CM10019 [0,0,0,0,1,0|3,0,0]=4 84 B7R1.1 c1cc([nH]c1)C=O CM13861 [0,1,0,0,1,0|1,0,1]=4 85 B7R1.2 C1=CC(=O)OC1O CM11011 [0,1,0,0,1,0|1,0,1]=4 86 B7R1.4 Cc1cscc1Br CM10703 [0,1,0,0,1,0|2,0,0]=4 87 B7R1.4 c1c(c(cs1)Br)Br CM10704 [0,1,0,0,1,0|2,0,0]=4 88 B7R1.4 c1csc(c1Br)Cl CM10917 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.1 C=Cc1ccc(nc1)Br CM10147 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.1 CCc1ccc(cc1)F CM10050 [0,2,0,0,0,0|1,0,0]=3 91 B9R1.1 CCc1ccc(cn1)Br CM10444 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.1 CNc1ccc(cc1)I CM11495 [0,2,0,0,0,0|1,0,0]=3 93 B9R1.1 COc1ccc(cc1)F CM11749 [0,2,0,0,0,0|0,0,0]=2 94 B9R1.1 COc1ccc(nc1)Br CM10454 [0,2,0,0,0,0|1,0,0]=3 95 B9R1.1 COc1cnc(nc1)Cl CM14296 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.1 COc1ncc(cn1)Br CM14291 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.1 Cc1ccc(nc1)C#N CM10108 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.1 c1cc(ccc1C#N)Cl CM12995 [0,2,0,0,0,0|1,0,0]=3 99 B9R1.1 c1cc(ccc1C#N)I CM13127 [0,2,0,0,0,0|1,0,0]=3 100 B9R1.1 c1cc(ccc1C=O)F CM11946 [0,2,0,0,0,0|0,0,1]=3 101 B9R1.1 c1cc(ccc1C=O)I CM11996 [0,2,0,0,0,0|0,0,1]=3 102 B9R1.1 c1cc(ccc1CCl)F CM13407 [0,2,0,0,0,0|1,0,0]=3 103 B9R1.1 c1cc(ccc1CO)F CM13405 [0,2,0,0,0,0|0,0,0]=2 104 B9R1.1 c1cc(ccc1CO)N CM13264 [0,2,0,0,0,0|0,0,0]=2 105 B9R1.1 c1cc(ccc1NN)F CM13799 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.1 c1cc(ncc1C=O)Br CM13843 [0,2,0,0,0,0|1,0,1]=4 107 B9R1.2 CCc1cccc(c1)Br CM12087 [0,2,0,0,0,0|1,0,0]=3 108 B9R1.2 CCc1cccc(c1)N CM11452 [0,2,0,0,0,0|1,0,0]=3 109 B9R1.2 CNc1cccc(c1)O CM10115 [0,2,0,0,0,0|0,0,0]=2 110 B9R1.2 COc1cc(ccn1)Br CM10671 [0,2,0,0,0,0|1,0,0]=3 111 B9R1.2 COc1cc(ncn1)Br CM10842 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.2 COc1cc(ncn1)I CM10843 [0,2,0,0,0,0|2,0,0]=4 113 B9R1.2 COc1cc(ncn1)N CM10847 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.2 COc1cc(nnc1)O CM11073 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.2 COc1ccnc(n1)Br CM10844 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.2 COc1ccnc(n1)N CM10846 [0,2,0,0,0,0|2,0,0]=4 117 B9R1.2 COc1nccc(n1)N CM10845 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.2 CSc1cccc(n1)Br CM10114 [0,2,0,0,0,0|1,1,0]=4 119 B9R1.2 Cc1cccc(c1)CF CM13445 [0,2,0,0,0,0|1,0,0]=3 120 B9R1.2 c1cc(cc(c1)F)C#N CM13067 [0,2,0,0,0,0|1,0,0]=3 121 B9R1.2 c1cc(cc(c1)I)CBr CM13435 [0,2,0,0,0,0|1,0,0]=3 122 B9R1.2 c1cc(cc(c1)I)CN CM10968 [0,2,0,0,0,0|1,0,0]=3 123 B9R1.2 c1cnc(cc1CO)N CM14035 [0,2,0,0,0,0|1,0,0]=3 124 B9R1.6 B(c1ccncc1)(O)O CM10013 [0,2,0,0,0,0|1,0,0]=3 125 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.6 c1cncnc1C(=O)O CM10263 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.8 c1ccc(cc1)CNN CM14002 [0,2,0,0,0,0|1,0,0]=3 129 B9R1.8 c1ccc(cc1)CNO CM10002 [0,2,0,0,0,0|0,0,0]=2 130 B9R1.15 CCc1c(cccn1)Br CM10670 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.15 CNc1ccncc1N CM14025 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.15 COc1c(nccn1)N CM10653 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.15 COc1cccnc1Br CM14120 [0,2,0,0,0,0|1,0,0]=3 134 B9R1.15 COc1cccnc1N CM10903 [0,2,0,0,0,0|1,0,0]=3 135 B9R1.15 COc1cnccc1N CM10329 [0,2,0,0,0,0|1,0,0]=3 136 B9R1.15 CSc1ccccc1I CM11822 [0,2,0,0,0,0|0,1,0]=3 137 B9R1.15 Cc1ccncc1C=O CM10260 [0,2,0,0,0,0|1,0,1]=4 138 B9R1.15 c1ccc(c(c1)C#N)F CM13066 [0,2,0,0,0,0|1,0,0]=3 139 B9R1.15 c1ccc(c(c1)C#N)I CM13126 [0,2,0,0,0,0|1,0,0]=3 140 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [0,2,0,0,0,0|0,0,1]=3 141 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [0,2,0,0,0,0|1,0,0]=3 142 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [0,2,0,0,0,0|1,0,0]=3 143 B9R1.15 c1ccc(c(c1)CN)F CM13538 [0,2,0,0,0,0|1,0,0]=3 144 B9R1.15 c1ccc(c(c1)NN)Br CM13792 [0,2,0,0,0,0|1,0,0]=3 145 B9R1.15 c1cncc(c1C#N)Br CM10243 [0,2,0,0,0,0|2,0,0]=4 146 B9R1.15 c1cncc(c1O)C#N CM10064 [0,2,0,0,0,0|1,0,0]=3 147 B9R1.69 Cc1c(cc(cn1)Br)Cl CM10568 [0,2,0,0,0,0|2,0,0]=4 148 B9R1.69 Cc1c(ccc(n1)N)Br CM10976 [0,2,0,0,0,0|2,0,0]=4 149 B9R1.69 Cc1cc(c(nc1)F)I CM10099 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.69 Cc1cc(ccc1Br)Br CM13950 [0,2,0,0,0,0|1,0,0]=3 151 B9R1.69 Cc1cc(ccc1Br)I CM13933 [0,2,0,0,0,0|1,0,0]=3 152 B9R1.69 Cc1cc(ccc1Cl)I CM13944 [0,2,0,0,0,0|1,0,0]=3 153 B9R1.69 Cc1cc(ccc1F)N CM11467 [0,2,0,0,0,0|1,0,0]=3 154 B9R1.69 Cc1cc(ccc1F)O CM11763 [0,2,0,0,0,0|0,0,0]=2 155 B9R1.69 Cc1cc(ccc1N)Br CM11319 [0,2,0,0,0,0|1,0,0]=3 156 B9R1.69 Cc1cc(ccc1O)F CM11762 [0,2,0,0,0,0|0,0,0]=2 157 B9R1.69 Cc1cc(cnc1N)Br CM10974 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.69 Cc1cc(ncc1Br)N CM11003 [0,2,0,0,0,0|2,0,0]=4 159 B9R1.69 Cc1cc(ncc1N)Cl CM11008 [0,2,0,0,0,0|2,0,0]=4 160 B9R1.69 Cc1ccc(c(c1)Br)C CM12247 [0,2,0,0,0,0|1,0,0]=3 161 B9R1.69 Cc1ccc(c(c1)C)Br CM12246 [0,2,0,0,0,0|1,0,0]=3 162 B9R1.69 Cc1ccc(c(c1)C)Cl CM12249 [0,2,0,0,0,0|1,0,0]=3 163 B9R1.69 Cc1ccc(c(c1)Cl)N CM11376 [0,2,0,0,0,0|1,0,0]=3 164 B9R1.69 Cc1ccc(c(c1)Cl)O CM10213 [0,2,0,0,0,0|0,0,0]=2 165 B9R1.69 Cc1ccc(c(c1)F)Br CM13929 [0,2,0,0,0,0|1,0,0]=3 166 B9R1.69 Cc1ccc(c(c1)F)F CM13957 [0,2,0,0,0,0|1,0,0]=3 167 B9R1.69 Cc1ccc(c(c1)F)N CM11463 [0,2,0,0,0,0|1,0,0]=3 168 B9R1.69 Cc1ccc(c(c1)I)N CM11496 [0,2,0,0,0,0|1,0,0]=3 169 B9R1.69 Cc1ccc(c(c1)N)I CM11497 [0,2,0,0,0,0|1,0,0]=3 170 B9R1.69 Cc1ccc(c(c1)O)Br CM10472 [0,2,0,0,0,0|0,0,0]=2 171 B9R1.69 Cc1ccc(c(c1)O)F CM11758 [0,2,0,0,0,0|0,0,0]=2 172 B9R1.69 Cc1ccc(cc1Br)N CM11318 [0,2,0,0,0,0|1,0,0]=3 173 B9R1.69 Cc1ccc(cc1Br)O CM10192 [0,2,0,0,0,0|0,0,0]=2 174 B9R1.69 Cc1ccc(cc1C)Cl CM12251 [0,2,0,0,0,0|1,0,0]=3 175 B9R1.69 Cc1ccc(cc1C)F CM12256 [0,2,0,0,0,0|1,0,0]=3 176 B9R1.69 Cc1ccc(cc1Cl)F CM13940 [0,2,0,0,0,0|1,0,0]=3 177 B9R1.69 Cc1ccc(cc1F)Br CM13928 [0,2,0,0,0,0|1,0,0]=3 178 B9R1.69 Cc1ccc(cc1F)Cl CM13941 [0,2,0,0,0,0|1,0,0]=3 179 B9R1.69 Cc1ccc(cc1F)F CM13955 [0,2,0,0,0,0|1,0,0]=3 180 B9R1.69 Cc1ccc(cc1F)I CM13959 [0,2,0,0,0,0|1,0,0]=3 181 B9R1.69 Cc1ccc(cc1F)N CM11465 [0,2,0,0,0,0|1,0,0]=3 182 B9R1.69 Cc1ccc(cc1N)O CM11593 [0,2,0,0,0,0|0,0,0]=2 183 B9R1.69 Cc1ccc(cc1O)F CM11764 [0,2,0,0,0,0|0,0,0]=2 184 B9R1.69 Cc1ccc(cc1O)N CM11597 [0,2,0,0,0,0|0,0,0]=2 185 B9R1.69 Cc1ccc(cc1O)O CM10187 [0,2,0,0,0,0|0,0,0]=2 186 B9R1.69 Cc1cnc(cc1I)F CM10100 [0,2,0,0,0,0|2,0,0]=4 187 B9R1.69 Cn1cc(ccc1=O)N CM10159 [0,2,0,0,0,0|1,0,1]=4 188 B9R1.69 Cn1ccc(cc1=O)Br CM10360 [0,2,0,0,0,0|1,0,1]=4 189 B9R1.69 Cn1ccc(cc1=O)I CM10196 [0,2,0,0,0,0|1,0,1]=4 190 B9R1.69 c1c(cnc(c1Br)Cl)Cl CM14040 [0,2,0,0,0,0|2,0,0]=4 191 B9R1.69 c1c(cnc(c1Cl)Br)N CM10914 [0,2,0,0,0,0|2,0,0]=4 192 B9R1.69 c1c(cnc(c1Cl)Br)O CM10915 [0,2,0,0,0,0|1,0,0]=3 193 B9R1.69 c1c(cnc(c1Cl)Cl)I CM10911 [0,2,0,0,0,0|2,0,0]=4 194 B9R1.69 c1c(cnc(c1F)Br)Cl CM10984 [0,2,0,0,0,0|2,0,0]=4 195 B9R1.69 c1c(cnc(c1F)Cl)Br CM10994 [0,2,0,0,0,0|2,0,0]=4 196 B9R1.69 c1c(cnc(c1F)N)Cl CM10993 [0,2,0,0,0,0|2,0,0]=4 197 B9R1.69 c1c(cnc(c1N)N)Br CM13844 [0,2,0,0,0,0|2,0,0]=4 198 B9R1.69 c1cc(c(cc1Br)Br)Br CM12296 [0,2,0,0,0,0|1,0,0]=3 199 B9R1.69 c1cc(c(cc1Br)Br)F CM12188 [0,2,0,0,0,0|1,0,0]=3 200 B9R1.69 c1cc(c(cc1Br)Cl)Cl CM12198 [0,2,0,0,0,0|1,0,0]=3 201 B9R1.69 c1cc(c(cc1Br)Cl)F CM12043 [0,2,0,0,0,0|1,0,0]=3 202 B9R1.69 c1cc(c(cc1Br)Cl)I CM12047 [0,2,0,0,0,0|1,0,0]=3 203 B9R1.69 c1cc(c(cc1Br)Cl)N CM11270 [0,2,0,0,0,0|1,0,0]=3 204 B9R1.69 c1cc(c(cc1Br)F)N CM11303 [0,2,0,0,0,0|1,0,0]=3 205 B9R1.69 c1cc(c(cc1Br)F)S CM11814 [0,2,0,0,0,0|0,1,0]=3 206 B9R1.69 c1cc(c(cc1Br)I)N CM11314 [0,2,0,0,0,0|1,0,0]=3 207 B9R1.69 c1cc(c(cc1Br)I)O CM11650 [0,2,0,0,0,0|0,0,0]=2 208 B9R1.69 c1cc(c(cc1Br)N)Cl CM11272 [0,2,0,0,0,0|1,0,0]=3 209 B9R1.69 c1cc(c(cc1Br)N)F CM11305 [0,2,0,0,0,0|1,0,0]=3 210 B9R1.69 c1cc(c(cc1Br)N)N CM10015 [0,2,0,0,0,0|1,0,0]=3 211 B9R1.69 c1cc(c(cc1Br)N)O CM11544 [0,2,0,0,0,0|0,0,0]=2 212 B9R1.69 c1cc(c(cc1Br)O)Br CM11709 [0,2,0,0,0,0|0,0,0]=2 213 B9R1.69 c1cc(c(cc1Br)O)Cl CM11610 [0,2,0,0,0,0|0,0,0]=2 214 B9R1.69 c1cc(c(cc1Br)O)F CM11642 [0,2,0,0,0,0|0,0,0]=2 215 B9R1.69 c1cc(c(cc1Br)O)N CM11546 [0,2,0,0,0,0|0,0,0]=2 216 B9R1.69 c1cc(c(cc1Cl)Br)Cl CM12040 [0,2,0,0,0,0|1,0,0]=3 217 B9R1.69 c1cc(c(cc1Cl)Br)I CM12048 [0,2,0,0,0,0|1,0,0]=3 218 B9R1.69 c1cc(c(cc1Cl)F)Br CM12045 [0,2,0,0,0,0|1,0,0]=3 219 B9R1.69 c1cc(c(cc1Cl)F)N CM11363 [0,2,0,0,0,0|1,0,0]=3 220 B9R1.69 c1cc(c(cc1Cl)F)O CM11681 [0,2,0,0,0,0|0,0,0]=2 221 B9R1.69 c1cc(c(cc1Cl)I)N CM11374 [0,2,0,0,0,0|1,0,0]=3 222 B9R1.69 c1cc(c(cc1Cl)I)O CM11689 [0,2,0,0,0,0|0,0,0]=2 223 B9R1.69 c1cc(c(cc1Cl)N)Br CM11267 [0,2,0,0,0,0|1,0,0]=3 224 B9R1.69 c1cc(c(cc1Cl)N)F CM11366 [0,2,0,0,0,0|1,0,0]=3 225 B9R1.69 c1cc(c(cc1Cl)N)I CM11375 [0,2,0,0,0,0|1,0,0]=3 226 B9R1.69 c1cc(c(cc1Cl)N)N CM12157 [0,2,0,0,0,0|1,0,0]=3 227 B9R1.69 c1cc(c(cc1Cl)O)I CM11692 [0,2,0,0,0,0|0,0,0]=2 228 B9R1.69 c1cc(c(cc1F)Br)Br CM12189 [0,2,0,0,0,0|1,0,0]=3 229 B9R1.69 c1cc(c(cc1F)Br)I CM12088 [0,2,0,0,0,0|1,0,0]=3 230 B9R1.69 c1cc(c(cc1F)Br)N CM11299 [0,2,0,0,0,0|1,0,0]=3 231 B9R1.69 c1cc(c(cc1F)Br)O CM11628 [0,2,0,0,0,0|0,0,0]=2 232 B9R1.69 c1cc(c(cc1F)Cl)N CM11358 [0,2,0,0,0,0|1,0,0]=3 233 B9R1.69 c1cc(c(cc1F)Cl)S CM11816 [0,2,0,0,0,0|0,1,0]=3 234 B9R1.69 c1cc(c(cc1F)F)Cl CM12215 [0,2,0,0,0,0|1,0,0]=3 235 B9R1.69 c1cc(c(cc1F)F)F CM12302 [0,2,0,0,0,0|1,0,0]=3 236 B9R1.69 c1cc(c(cc1F)F)I CM12221 [0,2,0,0,0,0|1,0,0]=3 237 B9R1.69 c1cc(c(cc1F)F)N CM11420 [0,2,0,0,0,0|1,0,0]=3 238 B9R1.69 c1cc(c(cc1F)F)O CM11724 [0,2,0,0,0,0|0,0,0]=2 239 B9R1.69 c1cc(c(cc1F)F)S CM11819 [0,2,0,0,0,0|0,1,0]=3 240 B9R1.69 c1cc(c(cc1F)I)Cl CM12140 [0,2,0,0,0,0|1,0,0]=3 241 B9R1.69 c1cc(c(cc1F)I)N CM11458 [0,2,0,0,0,0|1,0,0]=3 242 B9R1.69 c1cc(c(cc1F)I)O CM10851 [0,2,0,0,0,0|0,0,0]=2 243 B9R1.69 c1cc(c(cc1F)N)Br CM11300 [0,2,0,0,0,0|1,0,0]=3 244 B9R1.69 c1cc(c(cc1F)N)Cl CM11359 [0,2,0,0,0,0|1,0,0]=3 245 B9R1.69 c1cc(c(cc1F)N)F CM11421 [0,2,0,0,0,0|1,0,0]=3 246 B9R1.69 c1cc(c(cc1F)N)I CM11459 [0,2,0,0,0,0|1,0,0]=3 247 B9R1.69 c1cc(c(cc1F)N)N CM12165 [0,2,0,0,0,0|1,0,0]=3 248 B9R1.69 c1cc(c(cc1F)N)O CM11571 [0,2,0,0,0,0|0,0,0]=2 249 B9R1.69 c1cc(c(cc1F)O)Cl CM11677 [0,2,0,0,0,0|0,0,0]=2 250 B9R1.69 c1cc(c(cc1F)O)F CM11725 [0,2,0,0,0,0|0,0,0]=2 251 B9R1.69 c1cc(c(cc1F)O)I CM10850 [0,2,0,0,0,0|0,0,0]=2 252 B9R1.69 c1cc(c(cc1F)O)N CM11573 [0,2,0,0,0,0|0,0,0]=2 253 B9R1.69 c1cc(c(cc1I)Br)N CM11313 [0,2,0,0,0,0|1,0,0]=3 254 B9R1.69 c1cc(c(cc1I)Br)O CM10644 [0,2,0,0,0,0|0,0,0]=2 255 B9R1.69 c1cc(c(cc1I)Cl)Cl CM12204 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.69 c1cc(c(cc1I)Cl)F CM12139 [0,2,0,0,0,0|1,0,0]=3 257 B9R1.69 c1cc(c(cc1I)F)Cl CM12141 [0,2,0,0,0,0|1,0,0]=3 258 B9R1.69 c1cc(c(cc1I)F)N CM11454 [0,2,0,0,0,0|1,0,0]=3 259 B9R1.69 c1cc(c(cc1I)F)O CM11751 [0,2,0,0,0,0|0,0,0]=2 260 B9R1.69 c1cc(c(cc1I)N)N CM12168 [0,2,0,0,0,0|1,0,0]=3 261 B9R1.69 c1cc(c(cc1I)O)I CM10916 [0,2,0,0,0,0|0,0,0]=2 262 B9R1.69 c1cc(c(cc1N)Br)N CM12156 [0,2,0,0,0,0|1,0,0]=3 263 B9R1.69 c1cc(c(cc1N)Cl)Br CM11271 [0,2,0,0,0,0|1,0,0]=3 264 B9R1.69 c1cc(c(cc1N)F)Br CM11304 [0,2,0,0,0,0|1,0,0]=3 265 B9R1.69 c1cc(c(cc1N)F)Cl CM11365 [0,2,0,0,0,0|1,0,0]=3 266 B9R1.69 c1cc(c(cc1N)F)F CM11423 [0,2,0,0,0,0|1,0,0]=3 267 B9R1.69 c1cc(c(cc1N)F)I CM10918 [0,2,0,0,0,0|1,0,0]=3 268 B9R1.69 c1cc(c(cc1N)F)O CM11579 [0,2,0,0,0,0|0,0,0]=2 269 B9R1.69 c1cc(c(cc1N)N)Br CM12155 [0,2,0,0,0,0|1,0,0]=3 270 B9R1.69 c1cc(c(cc1N)N)F CM12166 [0,2,0,0,0,0|1,0,0]=3 271 B9R1.69 c1cc(c(cc1N)O)Cl CM11559 [0,2,0,0,0,0|0,0,0]=2 272 B9R1.69 c1cc(c(cc1O)Br)Cl CM11607 [0,2,0,0,0,0|0,0,0]=2 273 B9R1.69 c1cc(c(cc1O)Br)F CM11636 [0,2,0,0,0,0|0,0,0]=2 274 B9R1.69 c1cc(c(cc1O)Cl)Br CM10223 [0,2,0,0,0,0|0,0,0]=2 275 B9R1.69 c1cc(c(cc1O)Cl)I CM10112 [0,2,0,0,0,0|0,0,0]=2 276 B9R1.69 c1cc(c(cc1O)Cl)N CM11558 [0,2,0,0,0,0|0,0,0]=2 277 B9R1.69 c1cc(c(cc1O)Cl)N CM14377 [0,2,0,0,0,0|0,0,0]=2 278 B9R1.69 c1cc(c(cc1O)F)Br CM11641 [0,2,0,0,0,0|0,0,0]=2 279 B9R1.69 c1cc(c(cc1O)F)Cl CM10877 [0,2,0,0,0,0|0,0,0]=2 280 B9R1.69 c1cc(c(cc1O)F)F CM11728 [0,2,0,0,0,0|0,0,0]=2 281 B9R1.69 c1cc(c(cc1O)F)I CM10646 [0,2,0,0,0,0|0,0,0]=2 282 B9R1.69 c1cc(c(cc1O)F)N CM11581 [0,2,0,0,0,0|0,0,0]=2 283 B9R1.69 c1cc(c(cc1O)I)Cl CM11690 [0,2,0,0,0,0|0,0,0]=2 284 B9R1.69 c1cc(c(cc1O)N)F CM11577 [0,2,0,0,0,0|0,0,0]=2 285 B9R1.69 c1cc(c(cc1O)O)Br CM14332 [0,2,0,0,0,0|0,0,0]=2 286 B9R1.69 c1cc(c(cc1O)O)F CM11778 [0,2,0,0,0,0|0,0,0]=2 287 B9R1.69 c1cc(c(cc1O)O)N CM10297 [0,2,0,0,0,0|0,0,0]=2 288 B9R1.69 c1cc(c(cc1S)Cl)F CM11817 [0,2,0,0,0,0|0,1,0]=3 289 B9R1.69 c1cc(c(cc1S)F)F CM11820 [0,2,0,0,0,0|0,1,0]=3 290 B9R1.3 Cc1c(cccc1Br)F CM13926 [0,2,0,0,0,0|1,0,0]=3 291 B9R1.3 Cc1c(cccc1Br)N CM11317 [0,2,0,0,0,0|1,0,0]=3 292 B9R1.3 Cc1c(cccc1Cl)N CM11377 [0,2,0,0,0,0|1,0,0]=3 293 B9R1.3 Cc1c(cccc1F)F CM13956 [0,2,0,0,0,0|1,0,0]=3 294 B9R1.3 Cc1c(cccc1F)N CM11464 [0,2,0,0,0,0|1,0,0]=3 295 B9R1.3 Cc1c(cccc1F)O CM11760 [0,2,0,0,0,0|0,0,0]=2 296 B9R1.3 Cc1c(cccc1I)Cl CM13945 [0,2,0,0,0,0|1,0,0]=3 297 B9R1.3 Cc1c(ccnc1Cl)I CM10087 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.3 Cc1cccc(c1Br)Cl CM10337 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.3 Cc1cccc(c1Br)N CM11315 [0,2,0,0,0,0|1,0,0]=3 300 B9R1.3 Cc1cccc(c1C)Br CM12245 [0,2,0,0,0,0|1,0,0]=3 301 B9R1.3 Cc1cccc(c1C)Cl CM12248 [0,2,0,0,0,0|1,0,0]=3 302 B9R1.3 Cc1cccc(c1C)F CM12253 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.3 Cc1cccc(c1Cl)C CM12250 [0,2,0,0,0,0|1,0,0]=3 304 B9R1.3 Cc1cccc(c1F)Br CM13927 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.3 Cc1cccc(c1F)C CM12254 [0,2,0,0,0,0|1,0,0]=3 306 B9R1.3 Cc1cccc(c1F)Cl CM14017 [0,2,0,0,0,0|1,0,0]=3 307 B9R1.3 Cc1cccc(c1F)F CM13954 [0,2,0,0,0,0|1,0,0]=3 308 B9R1.3 Cc1cccc(c1F)N CM11462 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.3 Cc1cccc(c1F)O CM11757 [0,2,0,0,0,0|0,0,0]=2 310 B9R1.3 Cc1cccc(c1I)O CM10210 [0,2,0,0,0,0|0,0,0]=2 311 B9R1.3 Cc1cccc(c1N)Br CM11316 [0,2,0,0,0,0|1,0,0]=3 312 B9R1.3 Cc1cccc(c1N)N CM13949 [0,2,0,0,0,0|1,0,0]=3 313 B9R1.3 Cc1cccc(c1N)O CM11590 [0,2,0,0,0,0|0,0,0]=2 314 B9R1.3 Cc1cccc(c1O)C CM11741 [0,2,0,0,0,0|0,0,0]=2 315 B9R1.3 Cc1cccc(c1O)F CM11759 [0,2,0,0,0,0|0,0,0]=2 316 B9R1.3 Cc1ccnc(c1Br)C CM10661 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.3 Cn1c(=O)cccc1Br CM10359 [0,2,0,0,0,0|1,0,1]=4 318 B9R1.3 Cn1cccc(c1=O)Br CM10262 [0,2,0,0,0,0|1,0,1]=4 319 B9R1.3 c1c(c(c(cn1)F)I)F CM10495 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.3 c1cc(c(c(c1)Br)Br)F CM12187 [0,2,0,0,0,0|1,0,0]=3 321 B9R1.3 c1cc(c(c(c1)Br)Br)O CM11708 [0,2,0,0,0,0|0,0,0]=2 322 B9R1.3 c1cc(c(c(c1)Br)Cl)Br CM12173 [0,2,0,0,0,0|1,0,0]=3 323 B9R1.3 c1cc(c(c(c1)Br)Cl)F CM12041 [0,2,0,0,0,0|1,0,0]=3 324 B9R1.3 c1cc(c(c(c1)Br)Cl)O CM10471 [0,2,0,0,0,0|0,0,0]=2 325 B9R1.3 c1cc(c(c(c1)Br)F)Br CM12186 [0,2,0,0,0,0|1,0,0]=3 326 B9R1.3 c1cc(c(c(c1)Br)F)Cl CM12042 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.3 c1cc(c(c(c1)Br)F)F CM12211 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.3 c1cc(c(c(c1)Br)F)N CM11302 [0,2,0,0,0,0|1,0,0]=3 329 B9R1.3 c1cc(c(c(c1)Br)F)O CM11634 [0,2,0,0,0,0|0,0,0]=2 330 B9R1.3 c1cc(c(c(c1)Br)I)Br CM12192 [0,2,0,0,0,0|1,0,0]=3 331 B9R1.3 c1cc(c(c(c1)Br)I)O CM11649 [0,2,0,0,0,0|0,0,0]=2 332 B9R1.3 c1cc(c(c(c1)Br)N)Br CM11397 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.3 c1cc(c(c(c1)Br)N)Cl CM11268 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.3 c1cc(c(c(c1)Br)N)F CM11301 [0,2,0,0,0,0|1,0,0]=3 335 B9R1.3 c1cc(c(c(c1)Br)N)O CM11543 [0,2,0,0,0,0|0,0,0]=2 336 B9R1.3 c1cc(c(c(c1)Br)O)Cl CM10890 [0,2,0,0,0,0|0,0,0]=2 337 B9R1.3 c1cc(c(c(c1)Br)O)F CM11632 [0,2,0,0,0,0|0,0,0]=2 338 B9R1.3 c1cc(c(c(c1)Cl)Br)N CM10246 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.3 c1cc(c(c(c1)Cl)Cl)F CM12202 [0,2,0,0,0,0|1,0,0]=3 340 B9R1.3 c1cc(c(c(c1)Cl)F)F CM12214 [0,2,0,0,0,0|1,0,0]=3 341 B9R1.3 c1cc(c(c(c1)Cl)F)N CM11361 [0,2,0,0,0,0|1,0,0]=3 342 B9R1.3 c1cc(c(c(c1)Cl)F)O CM11679 [0,2,0,0,0,0|0,0,0]=2 343 B9R1.3 c1cc(c(c(c1)Cl)I)N CM11373 [0,2,0,0,0,0|1,0,0]=3 344 B9R1.3 c1cc(c(c(c1)Cl)I)O CM11688 [0,2,0,0,0,0|0,0,0]=2 345 B9R1.3 c1cc(c(c(c1)Cl)N)F CM11360 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.3 c1cc(c(c(c1)Cl)O)O CM10873 [0,2,0,0,0,0|0,0,0]=2 347 B9R1.3 c1cc(c(c(c1)F)Br)F CM12212 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.3 c1cc(c(c(c1)F)Br)N CM11298 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.3 c1cc(c(c(c1)F)Cl)F CM12127 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.3 c1cc(c(c(c1)F)Cl)N CM11357 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.3 c1cc(c(c(c1)F)Cl)O CM11674 [0,2,0,0,0,0|0,0,0]=2 352 B9R1.3 c1cc(c(c(c1)F)F)F CM12301 [0,2,0,0,0,0|1,0,0]=3 353 B9R1.3 c1cc(c(c(c1)F)F)N CM11419 [0,2,0,0,0,0|1,0,0]=3 354 B9R1.3 c1cc(c(c(c1)F)I)F CM12222 [0,2,0,0,0,0|1,0,0]=3 355 B9R1.3 c1cc(c(c(c1)F)I)N CM11455 [0,2,0,0,0,0|1,0,0]=3 356 B9R1.3 c1cc(c(c(c1)F)N)F CM11422 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.3 c1cc(c(c(c1)F)N)N CM12164 [0,2,0,0,0,0|1,0,0]=3 358 B9R1.3 c1cc(c(c(c1)F)O)F CM11727 [0,2,0,0,0,0|0,0,0]=2 359 B9R1.3 c1cc(c(c(c1)F)O)O CM11777 [0,2,0,0,0,0|0,0,0]=2 360 B9R1.3 c1cc(c(c(c1)I)Br)F CM10261 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.3 c1cc(c(c(c1)I)F)F CM12220 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.3 c1cc(c(c(c1)I)N)Cl CM11372 [0,2,0,0,0,0|1,0,0]=3 363 B9R1.3 c1cc(c(c(c1)I)O)Br CM10561 [0,2,0,0,0,0|0,0,0]=2 364 B9R1.3 c1cc(c(c(c1)I)O)Cl CM10489 [0,2,0,0,0,0|0,0,0]=2 365 B9R1.3 c1cc(c(c(c1)O)Cl)O CM10872 [0,2,0,0,0,0|0,0,0]=2 366 B9R1.3 c1cc(c(c(c1)O)F)O CM11776 [0,2,0,0,0,0|0,0,0]=2 367 B9R1.3 c1cnc(c(c1I)Cl)Cl CM10667 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.3 c1cnc(c(c1I)F)F CM10666 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.34 Cc1cc(cc(c1)Br)O CM11657 [0,2,0,0,0,0|0,0,0]=2 370 B9R1.34 Cc1cc(cc(c1)Cl)Cl CM10249 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.34 Cc1cc(cc(c1)F)N CM11466 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.34 Cc1cc(cc(c1)I)C CM12260 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.34 Cc1cc(cc(n1)Cl)N CM10567 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.34 c1c(cc(cc1Br)Br)Cl CM12175 [0,2,0,0,0,0|1,0,0]=3 375 B9R1.34 c1c(cc(cc1Br)Br)F CM12190 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.34 c1c(cc(cc1Br)Br)N CM11398 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.34 c1c(cc(cc1Br)Br)O CM11712 [0,2,0,0,0,0|0,0,0]=2 378 B9R1.34 c1c(cc(cc1Cl)Br)F CM12044 [0,2,0,0,0,0|1,0,0]=3 379 B9R1.34 c1c(cc(cc1Cl)Cl)F CM12203 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.34 c1c(cc(cc1F)Br)F CM12213 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.34 c1c(cc(cc1F)Br)O CM11638 [0,2,0,0,0,0|0,0,0]=2 382 B9R1.34 c1c(cc(cc1F)Cl)F CM12217 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.34 c1c(cc(cc1F)Cl)N CM11362 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.34 c1c(cc(cc1F)F)F CM12303 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.34 c1c(cc(cc1F)F)O CM11729 [0,2,0,0,0,0|0,0,0]=2 386 B9R1.34 c1c(cc(cc1F)I)N CM11457 [0,2,0,0,0,0|1,0,0]=3 387 B9R1.34 c1c(cc(cc1N)N)N CM11525 [0,2,0,0,0,0|1,0,0]=3 388 B9R1.34 c1c(cc(cc1O)Br)O CM11666 [0,2,0,0,0,0|0,0,0]=2 389 B9R1.34 c1c(cc(nc1Br)Br)N CM11084 [0,2,0,0,0,0|2,0,0]=4 390 B9R1.34 c1c(cc(nc1Cl)Cl)N CM11105 [0,2,0,0,0,0|2,0,0]=4 391 B9R1.34 c1c(nc(nc1O)S)N CM11044 [0,2,0,0,0,0|2,0,0]=4