0 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 ACT09162 [0,0,0,0,0,0|0,0,4]=4 1 B12R2.1081 c1cc2c(nc1)C(CCC2)O ACT08873 [0,0,0,0,0,0|0,0,4]=4 2 B12R2.1081 c1cc2cccnc2c(c1)Br ACT01910 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.1081 c1cc2cccnc2c(c1)N ACT08349 [0,0,0,0,0,0|1,0,0]=1 4 B12R2.1081 c1cc2cccnc2c(c1)O ACT08881 [0,0,0,0,0,0|0,0,0]=0 5 B12R2.1081 c1cc2cccnc2c(c1)[O-] ACT04183 [0,0,0,0,0,0|0,0,1]=1 6 B12R2.1081 c1ccc2c(c1)c(ccn2)Cl ACT01954 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 c1ccc2c(c1)cccc2F ACT03550 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.1081 c1ccc2c(c1)ccnc2Br ACT05993 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.1081 c1ccc2c(c1)cncc2Br ACT01925 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 c1ccc2c(c1)cncc2F ACT10554 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.1081 c1ccc2c(c1)cncc2O ACT01956 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O ACT05426 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl ACT04273 [0,1,0,0,0,0|3,0,0]=4 14 B13R2.371 c1ccc2c(c1)c(ccc2Br)N ACT09324 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.371 c1ccc2c(c1)c(ccc2F)N ACT04710 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br ACT10197 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Cl ACT11744 [0,1,0,0,0,0|3,0,0]=4 18 B13R2.1613 c1ccc2c(c1)cccc2CO ACT11552 [0,1,0,0,0,0|1,0,0]=2 19 B11R2.106 c1c[nH]c2c1c(ccn2)Cl ACT03614 [0,0,0,0,1,0|3,0,0]=4 20 B11R2.106 c1c[nH]c2c1c(ccn2)O ACT06871 [0,0,0,0,1,0|2,0,0]=3 21 B11R2.106 c1cc(c2cc[nH]c2c1)N ACT02512 [0,0,0,0,1,0|2,0,0]=3 22 B11R2.106 c1cc(c2ccsc2c1)N ACT09121 [0,0,0,0,1,0|2,0,0]=3 23 B11R2.106 c1cc2c(c(c1)Br)CC=C2 ACT04572 [0,0,0,0,1,0|1,0,1]=3 24 B11R2.106 c1cc2c(c(c1)Br)nsn2 ACT11236 [0,0,0,0,1,0|3,0,0]=4 25 B11R2.106 c1cc2c(cc[nH]2)c(c1)F ACT02471 [0,0,0,0,1,0|2,0,0]=3 26 B11R2.106 c1cc2c(cc[nH]2)c(c1)O ACT02464 [0,0,0,0,1,0|1,0,0]=2 27 B11R2.106 c1cc2cc[nH]c2c(c1)Br ACT02474 [0,0,0,0,1,0|1,0,1]=3 28 B11R2.106 c1cc2cc[nH]c2c(c1)Cl ACT02498 [0,0,0,0,1,0|1,0,1]=3 29 B11R2.106 c1cc2cc[nH]c2c(c1)F ACT02485 [0,0,0,0,1,0|1,0,1]=3 30 B11R2.106 c1cc2nccn2c(c1)Br ACT09892 [0,0,0,0,1,0|3,0,0]=4 31 B11R2.106 c1cnc-2[nH]cnc(c12)O ACT04515 [0,0,0,0,1,0|3,0,0]=4 32 B10R1.2 c1cc(c(c(c1)O)Br)C=O ACT05003 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.4 C=CCc1ccccc1O ACT04626 [1,0,1,0,0,0|0,0,1]=3 34 B10R1.17 C=CCOc1ccccc1 ACT11556 [1,0,1,0,0,0|1,0,1]=4 35 B10R1.17 C=C\C=C\c1ccccc1 ACT09093 [1,0,1,0,0,0|1,0,0]=3 36 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [1,0,1,0,0,0|2,0,0]=4 38 B12R2.24 Cc1nc2ccccc2nn1 ACT09151 [1,1,0,0,0,0|2,0,0]=4 39 B12R2.24 c1cc2cc(ccc2nc1)Br ACT10708 [1,1,0,0,0,0|0,0,0]=2 40 B12R2.24 c1cc2cc(ccc2nc1)O ACT04277 [1,1,0,0,0,0|0,0,0]=2 41 B12R2.24 c1cc2cnccc2cc1Br ACT06105 [1,1,0,0,0,0|2,0,0]=4 42 B12R2.24 c1ccc2c(c1)cc(cn2)Br ACT07937 [1,1,0,0,0,0|0,0,0]=2 43 B12R2.24 c1ccc2c[n+](ccc2c1)[O-] ACT09349 [1,1,0,0,0,0|2,0,0]=4 44 B12R2.24 c1ccc2cc(ccc2c1)Br ACT02955 [1,1,0,0,0,0|1,0,0]=3 45 B12R2.24 c1ccc2cnc(cc2c1)N ACT01923 [1,1,0,0,0,0|2,0,0]=4 46 B12R2.202 CC1=Cc2c(cccc2Br)C1 ACT04566 [0,1,0,0,1,0|1,0,1]=4 47 B12R2.202 CC1=Cc2cccc(c2C1)Br ACT04571 [0,1,0,0,1,0|1,0,1]=4 48 B12R2.202 c1cc(c2c(c1)sc(n2)N)O ACT10505 [0,1,0,0,1,0|1,0,0]=3 49 B12R2.246 c1cn2cc(cc(c2n1)N)Br ACT04532 [0,1,0,0,1,0|2,0,0]=4 50 B12R2.315 COc1cccc2c1[nH]cc2 ACT02567 [0,1,0,0,1,0|0,0,1]=3 51 B12R2.315 COc1cccc2c1cc[nH]2 ACT02514 [0,1,0,0,1,0|1,0,0]=3 52 B12R2.315 c1cc(c2c(c1)non2)CO ACT04523 [0,1,0,0,1,0|2,0,0]=4 53 B14R2.92 c1cc2ccc(c(c2nc1)O)C=O ACT10718 [0,2,0,0,0,0|0,0,0]=2 54 B14R2.92 c1ccc2c(c1)c(c(cn2)C#N)O ACT09330 [0,2,0,0,0,0|2,0,0]=4 55 B14R2.142 COc1ccc2cccc(c2c1)O ACT10037 [0,2,0,0,0,0|1,0,0]=3 56 B14R2.7150 C=CCc1cccc2c1cccc2 ACT11558 [0,2,0,0,0,0|2,0,0]=4 57 B14R2.7150 CNCc1cccc2c1cccc2 ACT11650 [0,2,0,0,0,0|2,0,0]=4 58 B14R2.31359 B(c1cccc2c1nccc2)(O)O ACT01981 [0,2,0,0,0,0|0,0,0]=2 59 B14R2.31359 CC(c1cccc2c1cccc2)O ACT08958 [0,2,0,0,0,0|1,0,0]=3 60 B14R2.31359 C[C@H](c1cccc2c1cccc2)N ACT06595 [0,2,0,0,0,0|2,0,0]=4 61 B14R2.1801 COc1ccc2c(ccnc2c1)O ACT01918 [0,2,0,0,0,0|2,0,0]=4 62 B10R2.7 c1c[nH]c2c1ccnc2 ACT02479 [1,0,0,0,1,0|1,0,1]=4 63 B10R2.7 c1c[nH]c2c1cncc2 ACT02480 [1,0,0,0,1,0|1,0,1]=4 64 B10R2.7 c1cc2c(cc[nH]2)nc1 ACT02486 [1,0,0,0,1,0|1,0,0]=3 65 B10R2.7 c1cc2cc[nH]c2nc1 ACT02468 [1,0,0,0,1,0|1,0,0]=3 66 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [1,0,0,0,1,0|1,0,0]=3