0 B11R1.41 CCOc1ccccc1OC CM11747 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.4 c1ccc(c(c1)CC#N)N CM13645 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.4 c1ccc(c(c1)CCO)Br CM13494 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.20 CNc1c(cccn1)CO CM14403 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.20 COc1ccccc1CCl CM13440 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.20 COc1ccccc1NN CM13803 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.20 COc1cccnc1C#N CM14023 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.20 c1ccc(c(c1)CO)CO CM13268 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.283 c1ccc(c(c1)CCO)[N+](=O)[O-] CM14329 [0,1,0,0,0,0|3,0,0]=4 9 B12R2.24 c1ccc2c(c1)CCN(C2)N CM10279 [0,0,0,1,0,0|2,0,0]=3 10 B12R2.41 c1ccc2c(c1)CCNCC2 CM13903 [0,0,0,1,0,0|1,0,0]=2 11 B12R2.315 COc1ccnc2c1cc[nH]2 CM14134 [0,0,0,1,0,0|1,0,2]=4 12 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.8 c1ccc(cc1)CNN CM14002 [2,0,0,0,0,0|1,0,0]=3 14 B9R1.8 c1ccc(cc1)CNO CM10002 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.15 CCc1c(cccn1)Br CM10670 [2,0,0,0,0,0|2,0,0]=4 16 B9R1.15 CNc1ccncc1N CM14025 [2,0,0,0,0,0|2,0,0]=4 17 B9R1.15 COc1c(nccn1)N CM10653 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.15 COc1cccnc1Br CM14120 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.15 COc1cccnc1N CM10903 [2,0,0,0,0,0|1,0,0]=3 20 B9R1.15 COc1cnccc1N CM10329 [2,0,0,0,0,0|1,0,0]=3 21 B9R1.15 CSc1ccccc1I CM11822 [2,0,0,0,0,0|1,1,0]=4 22 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 c1ccc(c(c1)CN)F CM13538 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.15 c1ccc(c(c1)NN)Br CM13792 [2,0,0,0,0,0|2,0,0]=4 26 B11R1.222 CCC(C)c1ccccc1N CM11342 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.37 CCc1cc(ccc1C=O)O CM10866 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.37 COc1cc(ccc1C#N)Br CM10855 [1,1,0,0,0,0|0,0,2]=4 29 B11R1.37 COc1cc(ccc1C#N)O CM10236 [1,1,0,0,0,0|0,0,2]=4 30 B11R1.37 COc1cc(ccc1C=O)Cl CM11892 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.37 COc1cc(ccc1C=O)F CM11965 [1,1,0,0,0,0|1,0,1]=4 32 B11R1.37 COc1cc(ccc1C=O)O CM10220 [1,1,0,0,0,0|1,0,1]=4 33 B11R1.37 COc1ccc(cc1C#N)Cl CM13018 [1,1,0,0,0,0|0,0,2]=4 34 B11R1.37 COc1ccc(cc1C#N)F CM13086 [1,1,0,0,0,0|0,0,2]=4 35 B11R1.37 COc1ccc(cc1C=O)Br CM11857 [1,1,0,0,0,0|1,0,1]=4 36 B11R1.37 COc1ccc(cc1C=O)Cl CM11893 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.37 COc1ccc(cc1C=O)F CM11967 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.37 COc1ccc(cc1CBr)F CM13413 [1,1,0,0,0,0|1,0,0]=3 39 B11R1.37 COc1ccc(cc1CO)Br CM13299 [1,1,0,0,0,0|1,0,0]=3 40 B11R1.37 COc1ccc(cc1CO)F CM13414 [1,1,0,0,0,0|1,0,0]=3 41 B11R1.37 COc1ccc(cc1OC)F CM12244 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.37 COc1ccc(cc1OC)O CM11739 [1,1,0,0,0,0|1,0,0]=3 43 B11R1.37 Cc1ccc(c(c1)OC)C#N CM13131 [1,1,0,0,0,0|0,0,2]=4 44 B11R1.53 CC(=O)c1cccnc1OC CM10529 [1,1,0,0,0,0|1,0,1]=4 45 B11R1.53 CC(C)c1ccccc1C=O CM10477 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.265 CCc1cccc(c1C#N)O CM10382 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.265 CCc1cccc(c1C=O)O CM10385 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.265 COc1c(cccc1Cl)C=O CM11890 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.265 COc1c(cccc1F)C=O CM10186 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.265 COc1c(cccc1O)C#N CM10647 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.265 COc1cccc(c1C#N)F CM13082 [1,1,0,0,0,0|0,0,2]=4 52 B11R1.265 COc1cccc(c1C=O)F CM10224 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.265 COc1cccc(c1CN)F CM13539 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.265 COc1cccc(c1OC)F CM12242 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.265 COc1cccc(c1OC)O CM10883 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.2135 COc1cccc(c1CC(=O)O)F CM13708 [0,2,0,0,0,0|1,0,1]=4 57 B13R1.382 COC(=O)c1ccccc1CCN CM12391 [0,2,0,0,0,0|0,0,0]=2 58 B13R1.2209 COc1ccc(cc1C(=O)CBr)F CM11148 [0,2,0,0,0,0|1,0,1]=4 59 B13R1.355 CCOc1cc(ccc1OC)C#N CM13063 [0,2,0,0,0,0|2,0,0]=4 60 B11R2.10 c1ccc2c(c1)CN(C2)N CM10313 [1,0,0,1,0,0|1,0,0]=3 61 B11R2.106 c1cc2c(c(c1)Br)CCN2 CM10331 [1,0,0,1,0,0|1,0,0]=3 62 B11R2.106 c1cc2c(c(c1)F)CCN2 CM13605 [1,0,0,1,0,0|1,0,0]=3 63 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [1,0,0,1,0,0|2,0,0]=4 64 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 CM10091 [0,1,0,1,0,0|2,0,0]=4 65 B13R2.573 Cn1c2cccc(c2cn1)OC CM10814 [0,1,0,1,0,0|1,0,1]=4 66 B13R2.342 c1cc2c(c(c1)N)CCNC2=O CM10348 [0,1,0,1,0,0|2,0,0]=4