0 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [1,0,0,0,0,0|1,0,0]=2 6 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [1,0,0,0,0,0|1,0,0]=2 8 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [1,0,0,0,0,0|1,0,0]=2 9 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [1,0,0,0,0,0|1,0,0]=2 10 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [1,0,0,0,0,0|0,0,0]=1 11 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 c1cc2cnccc2cc1Br LS20209 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 LS41043 [0,1,0,0,0,0|1,0,2]=4 17 B14R2.142 COc1ccc2c(c1)c(=O)nc[nH]2 LS40136 [0,1,0,0,0,0|1,0,1]=3 18 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O LS11120 [0,1,0,0,0,0|2,0,0]=3 19 B14R2.781 B(c1ccc2ccccc2c1)(O)O LS40263 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.781 c1cc2cc(ccc2nc1)[N+](=O)[O-] LS20704 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.2332 COc1ccc2cc(ccc2c1)Br LS41201 [0,1,0,0,0,0|1,0,0]=2 22 B12R2.44 CCc1ccc2c(c1)cc[nH]2 LS20080 [0,0,0,0,1,0|1,0,1]=3 23 B12R2.44 COc1ccc2c(c1)NCC2 LS20156 [0,0,0,0,1,0|1,0,2]=4 24 B12R2.44 COc1ccc2c(c1)cc[nH]2 LS20135 [0,0,0,0,1,0|0,0,1]=2 25 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [0,0,0,0,1,0|1,0,0]=2 26 B12R2.44 c1cc(cc2c1cc[nH]2)C#N LS20300 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.44 c1cc2c(cco2)cc1C=O LS40181 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [1,0,1,0,0,0|2,0,0]=4 31 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl LS10204 [0,1,1,0,0,0|2,0,0]=4 32 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O LS11390 [0,1,1,0,0,0|2,0,0]=4 33 B13R2.32 c1cc2c(c(c1N)Br)nccn2 LS40346 [1,1,0,0,0,0|2,0,0]=4 34 B13R2.155 c1cc(=O)[nH]c2c1ncc(c2)Cl LS40787 [1,1,0,0,0,0|1,0,1]=4 35 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [1,1,0,0,0,0|2,0,0]=4 36 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [1,1,0,0,0,0|2,0,0]=4 37 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [1,1,0,0,0,0|1,0,0]=3 38 B13R2.162 c1cc2c(cc1Br)c(ncn2)O LS40887 [1,1,0,0,0,0|2,0,0]=4 39 B13R2.162 c1cc2c(cc1I)c(ncn2)O LS20468 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [1,1,0,0,0,0|2,0,0]=4 41 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [1,1,0,0,0,0|2,0,0]=4 42 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl LS40889 [1,1,0,0,0,0|2,0,0]=4 43 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 LS20042 [0,1,0,0,1,0|2,0,0]=4 44 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 LS40246 [0,1,0,0,1,0|1,0,1]=4 45 B13R2.2121 COc1ccc2c(c1)sc(n2)Br LS40639 [0,1,0,0,1,0|1,0,0]=3 46 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC LS00081 [0,1,0,0,1,0|0,0,1]=3 47 B15R2.1668 c1cc2cc(ccc2nc1)CC(=O)O LS20576 [0,2,0,0,0,0|1,0,1]=4 48 B15R2.21329 COc1ccc2c(c1)c(=O)oc(=O)[nH]2 LS20896 [0,2,0,0,0,0|1,0,1]=4 49 B15R2.21329 COc1ccc2c(c1)c(cc(n2)Cl)Cl LS20861 [0,2,0,0,0,0|0,0,0]=2 50 B11R1.222 COC(=O)c1cccnc1N LS20032 [0,0,1,0,1,0|2,0,0]=4 51 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [1,0,0,0,1,0|2,0,0]=4 52 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [1,0,0,0,1,0|1,0,1]=4 53 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [1,0,0,0,1,0|1,0,1]=4 54 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [1,0,0,0,1,0|2,0,0]=4 55 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [1,0,0,0,1,0|2,0,0]=4 56 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [1,0,0,0,1,0|1,0,0]=3 57 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [1,0,0,0,1,0|1,0,0]=3 58 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [1,0,0,0,1,0|1,0,1]=4