0 B12R2.612 c1cc2c(cc1Br)CCC2=O ACT02586 [0,0,0,0,0,0|2,1,1]=4 1 B12R2.612 c1cc2c(cc1Cl)CCC2=O ACT02585 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.612 c1cc2c(cc1Cl)COC2=O ACT09470 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.612 c1cc2c(cc1F)CCC2=O ACT08254 [0,0,0,0,0,0|2,1,1]=4 4 B11R2.1 c1cc2c(c[nH]c2nc1)Br ACT06503 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 c1ccc2c(c1)nnn2O ACT09417 [1,0,0,0,0,0|1,0,1]=3 6 B11R2.36 c1cc(cc2c1cc[nH]2)Br ACT02481 [1,0,0,0,0,0|1,1,0]=3 7 B11R2.36 c1cc2c(cc1Br)cn[nH]2 ACT01779 [1,0,0,0,0,0|2,1,0]=4 8 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 ACT10091 [1,0,0,0,0,0|2,0,0]=3 9 B11R2.36 c1cc2cn[nH]c2cc1Br ACT06505 [1,0,0,0,0,0|0,1,0]=2 10 B13R2.5190 CC1Cc2cc(ccc2C1=O)Cl ACT04551 [0,1,0,0,0,0|2,0,1]=4 11 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O ACT01845 [0,1,0,0,0,0|1,1,1]=4 12 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O ACT07205 [0,1,0,0,0,0|1,1,1]=4 13 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O ACT11757 [0,0,1,0,0,0|3,0,0]=4 14 B11R1.166 B(c1ccc(cc1F)Cl)(O)O ACT07306 [0,0,1,0,0,0|3,0,0]=4 15 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [0,0,1,0,0,0|3,0,0]=4 16 B11R1.166 c1cc(c(cc1Br)F)C(=O)O ACT11804 [0,0,1,0,0,0|2,1,0]=4 17 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O ACT12172 [0,0,1,0,0,0|2,0,0]=3 18 B11R1.166 c1cc(c(cc1F)N)C(=O)O ACT04887 [0,0,1,0,0,0|1,1,0]=3 19 B11R1.166 c1cc(c(cc1I)F)C(=O)O ACT11822 [0,0,1,0,0,0|2,1,0]=4 20 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl ACT02420 [0,0,1,0,0,0|3,0,0]=4 21 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O ACT09156 [0,0,0,0,0,1|2,0,0]=3 22 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [1,0,1,0,0,0|1,1,0]=4 24 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [1,0,1,0,0,0|1,1,0]=4 25 B10R1.13 c1cc(ncc1C(=O)N)Cl ACT10677 [1,0,1,0,0,0|1,0,1]=4 26 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [1,0,1,0,0,0|2,0,0]=4 27 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [1,0,1,0,0,0|2,0,0]=4 28 B10R1.15 c1ccc(cc1)\C(=N\O)\N ACT05094 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [1,0,1,0,0,0|1,0,1]=4 30 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [1,0,1,0,0,0|1,0,1]=4 31 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.30 c1cc(c(cc1Cl)C=O)O ACT03087 [1,0,1,0,0,0|2,0,0]=4 33 B10R1.30 c1cc(c(cc1Cl)NN)Cl ACT11122 [1,0,1,0,0,0|1,0,1]=4 34 B10R1.61 CC(=O)c1ccccc1N ACT05476 [1,0,1,0,0,0|1,0,1]=4 35 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.61 c1cncc(c1C(=O)O)N ACT04453 [1,0,1,0,0,0|2,0,0]=4 39 B10R1.61 c1cncc(c1C(=O)O)N ACT11233 [1,0,1,0,0,0|2,0,0]=4 40 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [1,0,1,0,0,0|2,0,0]=4 41 B10R2.7 c1c[nH]c2c1ccnc2 ACT02479 [2,0,0,0,0,0|2,0,0]=4 42 B10R2.7 c1c[nH]c2c1cncc2 ACT02480 [2,0,0,0,0,0|2,0,0]=4 43 B10R2.7 c1cc2c(cc[nH]2)nc1 ACT02486 [2,0,0,0,0,0|2,0,0]=4 44 B10R2.7 c1cc2cc[nH]c2nc1 ACT02468 [2,0,0,0,0,0|2,0,0]=4 45 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O ACT09869 [0,1,1,0,0,0|1,1,0]=4 47 B12R1.452 COc1ccc(c(c1)N)C(=O)O ACT00513 [0,1,1,0,0,0|2,0,0]=4 48 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O ACT11901 [0,1,1,0,0,0|2,0,0]=4 49 B12R2.1 c1ccc2c(c1)c(no2)CO ACT09157 [1,1,0,0,0,0|1,0,0]=3 50 B12R2.132 Cc1c2cc(cnc2[nH]n1)Br ACT10509 [1,1,0,0,0,0|2,0,0]=4 51 B12R2.132 Cc1c[nH]c2c1cc(cc2)F ACT02529 [1,1,0,0,0,0|2,0,0]=4 52 B12R2.132 c1cc2c(cc1Cl)c(n[nH]2)I ACT09587 [1,1,0,0,0,0|1,0,0]=3 53 B12R2.196 Cc1c[nH]c2c1cccc2Br ACT10434 [1,1,0,0,0,0|2,0,0]=4 54 B12R2.44 COc1ccc2cc[nH]c2c1 ACT02555 [1,1,0,0,0,0|2,0,0]=4 55 B12R2.246 Cc1cc(nc2c1cc[nH]2)Cl ACT09759 [1,1,0,0,0,0|2,0,0]=4 56 B12R2.246 c1c2c([nH]n1)nc(nc2Cl)Cl ACT08023 [1,1,0,0,0,0|2,0,0]=4 57 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl ACT09303 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.29365 c1cc2c(cc1Cl)[nH]c(=O)oc2=O ACT10499 [0,1,0,0,0,1|1,0,1]=4 59 B14R2.27750 c1c(cc(c2c1NC(=O)C2=O)Cl)Cl ACT09176 [0,2,0,0,0,0|1,0,1]=4