0 B10R1.15 CCC(C)c1ccccc1 CM12120 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 COC(=O)c1cccnc1 CM10959 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CN(C)c1cncnc1 CM10165 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.6 c1cncnc1C(=O)O CM10263 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.12 B(CC)(CC)c1cccnc1 CM10967 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.16 CCOC(=O)c1cccnc1 CM10029 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.22 COC(=O)c1ccc(cc1)N CM12345 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.22 COC(=O)c1cnc(cn1)O CM14417 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.22 COC(=O)c1cnc(nc1)Br CM10434 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.22 COC(=O)c1cnc(nc1)Cl CM14061 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.22 COC(=O)c1cnc(nc1)N CM10696 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.22 c1cc(ccc1C(=O)CBr)Br CM11176 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CM11135 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.22 c1cc(ccc1C(=O)CBr)F CM11141 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.22 c1cc(ccc1C(=O)NN)Cl CM13812 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.23 CCC(=O)c1cccc(c1)N CM11248 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.23 COC(=O)c1cccc(c1)I CM12817 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.23 COC(=O)c1cccc(c1)N CM12344 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.23 COC(=O)c1cccc(c1)O CM12802 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.23 COC(=O)c1cncc(n1)Br CM10424 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.23 COC(=O)c1cncc(n1)Cl CM10425 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.23 c1cc(cc(c1)O)C(=O)CBr CM11149 [0,1,0,0,0,0|3,0,0]=4 25 B11R2.1 c1cc2c(n[nH]c2nc1)N CM10550 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,0,0,1,0,0|2,0,0]=3 27 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.2 COc1cccnc1 CM10357 [2,0,0,0,0,0|0,0,0]=2 29 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.13 c1c(cnc(n1)Cl)C(=O)O CM14062 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.13 c1cc(ccc1C(=O)Cl)Br CM12451 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.13 c1cc(ccc1C(=O)Cl)F CM12712 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.13 c1cc(ccc1C(=O)Cl)I CM12820 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.13 c1cc(ncc1C(=O)O)N CM10961 [1,1,0,0,0,0|0,0,0]=2 44 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.13 c1cc(ncc1I)C(=O)O CM10490 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl CM13851 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.61 CC(=O)c1ccccc1Br CM11134 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.61 CC(=O)c1ccccc1I CM11218 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] CM14024 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [1,1,0,0,0,0|1,1,0]=4 59 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [1,1,0,0,0,0|0,0,0]=2 61 B10R1.113 c1c(nc(cn1)Br)C(=O)O CM10659 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.113 c1c(nc(cn1)Cl)C(=O)O CM10658 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [1,1,0,0,0,0|1,0,0]=3 64 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.113 c1cnc(cc1C(=O)O)N CM14043 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.4 CCOc1cnccc1N CM10330 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.11 CCOC(=O)c1c[nH]cn1 CM14066 [0,1,0,0,1,0|1,0,0]=3 71 B10R1.11 CCOC(=O)c1ccco1 CM10969 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.14 COC(=O)c1cc(sc1)Br CM10537 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.49 COC(=O)Cc1ccc(cc1)O CM13716 [0,1,0,0,0,1|1,0,0]=3 74 B12R1.50 COC(=O)Cc1cccc(c1)F CM13702 [0,1,0,0,0,1|1,0,0]=3 75 B12R1.50 COC(=O)Cc1cccc(c1)N CM13647 [0,1,0,0,0,1|1,0,0]=3 76 B12R1.16 CCOC(=O)c1cnc(nc1)N CM10697 [0,2,0,0,0,0|1,0,0]=3 77 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl CM11249 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.17 CCOC(=O)c1cc(cnc1)Br CM14116 [0,2,0,0,0,0|0,0,0]=2 79 B12R1.5 CCc1ccc(cc1)C(=O)CC CM11251 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.367 COC(=O)c1ccc(c(c1)Br)I CM12516 [0,2,0,0,0,0|1,0,0]=3 81 B12R1.367 COC(=O)c1ccc(c(c1)F)N CM12406 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.367 COC(=O)c1ccc(c(c1)I)N CM12418 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.367 COC(=O)c1ccc(c(c1)I)O CM10364 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CM12352 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.367 COC(=O)c1ccc(c(c1)N)O CM12415 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.367 COC(=O)c1ccc(c(c1)O)N CM12416 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.367 Cc1c(ncc(n1)C(=O)OC)Cl CM10047 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.1703 CCC(=O)c1ccc(cc1F)Br CM10141 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.1703 CNC(=O)c1ccc(cc1F)Br CM13187 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.1703 CNC(=O)c1ccc(cc1F)I CM13186 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)Cl CM10143 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.1703 COC(=O)c1ccc(cc1Br)Cl CM12459 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.1703 COC(=O)c1ccc(cc1Br)F CM12487 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.1703 COC(=O)c1ccc(cc1Cl)Br CM12464 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.1703 COC(=O)c1ccc(cc1Cl)N CM12362 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.1703 COC(=O)c1ccc(cc1F)Br CM12498 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.1703 COC(=O)c1ccc(cc1F)F CM12656 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.1703 COC(=O)c1ccc(cc1F)I CM12732 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.1703 COC(=O)c1ccc(cc1F)N CM12404 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.1703 COC(=O)c1ccc(cc1F)O CM12714 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.1703 COC(=O)c1ccc(cc1N)Br CM12348 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.1703 COC(=O)c1ccc(cc1N)F CM12395 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.1703 COC(=O)c1ccc(cc1O)F CM12722 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.24 COC(=O)c1cccc(c1F)Br CM12492 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.24 COC(=O)c1cccc(c1F)N CM12401 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.24 COC(=O)c1cccc(c1N)Br CM12346 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.24 COC(=O)c1cccc(c1N)Cl CM12357 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.24 COC(=O)c1cccc(c1N)F CM12393 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.24 COC(=O)c1cccc(c1N)N CM12633 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.24 COC(=O)c1cccc(c1N)O CM12414 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.24 COC(=O)c1cccc(c1O)Br CM12511 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.24 COC(=O)c1cccc(c1O)F CM12719 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.24 Cc1c(cccc1Br)C(=O)OC CM12534 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.24 Cc1c(cccc1N)C(=O)OC CM12427 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.24 Cc1cccc(c1Br)C(=O)OC CM12529 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.24 Cc1cccc(c1F)C(=O)OC CM12757 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.354 COC(=O)c1cc(ccc1Br)F CM12489 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.354 COC(=O)c1cc(ccc1Cl)Br CM12466 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.354 COC(=O)c1cc(ccc1F)Br CM12503 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.354 COC(=O)c1cc(ccc1F)I CM12734 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.354 COC(=O)c1cc(ccc1I)Br CM12520 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.354 COC(=O)c1cc(ccc1N)Br CM12350 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.354 COC(=O)c1cc(ccc1N)F CM12397 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.354 Cc1ccc(cc1C(=O)OC)Br CM12536 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.354 Cc1ccc(cc1C(=O)OC)F CM12768 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.354 Cc1ccc(cc1C(=O)OC)I CM12826 [0,2,0,0,0,0|1,0,0]=3 127 B12R1.354 Cc1ccc(cc1C(=O)OC)O CM12807 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl CM11250 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.358 COC(=O)c1cc(cc(c1)I)Br CM12517 [0,2,0,0,0,0|1,0,0]=3 130 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC CM11010 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.435 COC(=O)c1cccc(c1)C#N CM12614 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.435 COC(=O)c1cccc(c1)CN CM12426 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.435 COC(=O)c1cccc(c1)SCl CM13757 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.435 COC(=O)c1cccc(n1)CO CM13855 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.77 COC(=O)c1ccccc1CBr CM12526 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.3441 COC(=O)c1c(cccc1Br)F CM12490 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.3441 COC(=O)c1c(cccc1F)N CM12399 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.3441 COC(=O)c1c(cccc1F)O CM12717 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.3441 Cc1cccc(c1C(=O)OC)Br CM12532 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.3441 Cc1cccc(c1C(=O)OC)F CM12762 [0,2,0,0,0,0|1,0,0]=3 141 B10R1.172 COc1ccnc(c1)C=O CM10390 [0,0,1,1,0,0|2,0,0]=4 142 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [1,0,0,1,0,0|2,0,0]=4 143 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [1,0,0,1,0,0|2,0,0]=4 144 B10R2.7 c1cc2cn[nH]c2nc1 CM10820 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.18 Cn1c2ccccc2oc1=O CM14408 [0,0,0,1,0,1|2,0,0]=4 146 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 CM10829 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,1,0,1,0,0|1,0,0]=3 149 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 CM14374 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 CM10602 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.196 c1cc2c(c(c1)Br)CCC2=O CM10103 [0,1,0,1,0,0|2,0,0]=4 154 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O CM10362 [0,1,0,1,0,0|2,0,0]=4 155 B12R2.196 c1cc2c(c(c1)F)CCC2=O CM10386 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [1,0,0,0,1,0|1,0,0]=3 157 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [1,0,0,0,1,0|1,0,0]=3 158 B12R1.27 COC(=O)CCc1ccccc1 CM13745 [0,0,0,0,0,2|1,0,0]=3