0 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [1,0,0,0,0,0|2,0,0]=3 1 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [1,0,0,0,0,0|3,0,0]=4 2 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [1,0,0,0,0,0|3,0,0]=4 6 B12R2.24 c1cc2cnccc2cc1Br LS20209 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [1,0,0,0,0,0|1,0,2]=4 8 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [1,0,0,0,0,0|1,0,2]=4 9 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,0,1,0,0,0|2,0,1]=4 13 B12R1.43 C\C(=C/c1ccccc1)\[N+](=O)[O-] LS11815 [0,0,1,0,0,0|2,0,1]=4 14 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,0,0,0,1,0|1,0,1]=3 15 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O LS20632 [0,0,0,0,1,0|2,0,1]=4 16 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [1,0,1,0,0,0|1,0,0]=3 17 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [1,0,1,0,0,0|0,0,0]=2 18 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [1,0,1,0,0,0|0,0,1]=3 19 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [1,1,0,0,0,0|2,0,0]=4 20 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [1,1,0,0,0,0|1,0,0]=3 21 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [1,1,0,0,0,0|2,0,0]=4 22 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [1,1,0,0,0,0|2,0,0]=4 23 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [1,1,0,0,0,0|1,0,0]=3 24 B13R2.155 c1cc(=O)[nH]c2c1ncc(c2)Cl LS40787 [1,1,0,0,0,0|2,0,0]=4 25 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [1,1,0,0,0,0|1,0,0]=3 26 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [1,1,0,0,0,0|2,0,0]=4 27 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [1,1,0,0,0,0|1,0,0]=3 28 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [1,1,0,0,0,0|2,0,0]=4 29 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [1,1,0,0,0,0|1,0,1]=4 30 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [1,1,0,0,0,0|0,0,0]=2 31 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [1,1,0,0,0,0|2,0,0]=4 32 B13R2.3683 c1cc2c(cc1Br)CCC(=O)O2 LS40054 [1,1,0,0,0,0|0,0,2]=4 33 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 LS20870 [0,1,0,0,1,0|1,0,1]=4 34 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 LS40277 [0,1,0,0,1,0|1,0,1]=4 35 B13R2.4825 Cc1cccc2c1NC(=O)C2=O LS20909 [0,1,0,0,1,0|1,0,1]=4 36 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O LS20907 [0,1,0,0,1,0|1,0,1]=4 37 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O LS20916 [0,1,0,0,1,0|1,0,1]=4 38 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 LS20918 [0,1,0,0,1,0|1,0,1]=4 39 B13R2.4856 c1cc2c(c(c1)Cl)C(=O)C(=O)N2 LS20922 [0,1,0,0,1,0|1,0,1]=4 40 B13R2.4856 c1cc2c(c(c1)F)C(=O)C(=O)N2 LS20919 [0,1,0,0,1,0|1,0,1]=4 41 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O LS20914 [0,1,0,0,1,0|1,0,1]=4 42 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O LS20866 [0,1,0,0,1,0|1,0,1]=4 43 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O LS20915 [0,1,0,0,1,0|1,0,1]=4 44 B15R2.984 B(c1cc2ccccc2nc1Cl)(O)O LS11624 [0,2,0,0,0,0|2,0,0]=4 45 B13R2.435 B(c1cc2ccccc2o1)(O)O LS00109 [0,0,1,1,0,0|1,0,1]=4 46 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,0,1,1,0,0|0,1,0]=3 47 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,0,1,0,1,0|1,0,1]=4 48 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,0,1,0,1,0|1,0,1]=4 49 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,0,1,0,1,0|0,0,1]=3 50 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [1,0,0,0,1,0|1,0,1]=4 51 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [1,0,0,0,1,0|0,0,1]=3 52 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [1,0,0,0,1,0|1,1,0]=4 53 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [1,0,0,0,1,0|2,0,0]=4 54 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [1,0,0,0,1,0|2,0,0]=4 55 B13R1.351 CC(=C)C(=O)OCc1ccccc1 LS11727 [0,0,1,0,0,1|1,0,0]=3