0 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [0,0,0,0,0,0|1,1,0]=2 6 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.24 c1cc2cnccc2cc1Br LS20209 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 c1cc2cncnc2cc1Cl LS21137 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,0,0,0|0,1,3]=4 10 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,0,0,0|2,1,1]=4 11 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [0,0,0,0,0,0|1,0,0]=1 12 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [0,0,0,0,0,0|2,0,0]=2 13 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.32 c1cc2c(c(c1N)Br)nccn2 LS40346 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [0,1,0,0,0,0|1,1,0]=3 16 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [0,1,0,0,0,0|0,1,0]=2 17 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [0,1,0,0,0,0|1,0,0]=2 18 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [0,1,0,0,0,0|1,0,0]=2 19 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [0,1,0,0,0,0|0,1,0]=2 20 B13R2.155 c1cc(=O)[nH]c2c1ncc(c2)Cl LS40787 [0,1,0,0,0,0|2,1,0]=4 21 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [0,1,0,0,0,0|1,1,0]=3 22 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [0,1,0,0,0,0|0,1,0]=2 24 B13R2.162 c1cc2c(cc1Br)c(ncn2)O LS40887 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.162 c1cc2c(cc1I)c(ncn2)O LS20468 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [0,1,0,0,0,0|1,1,0]=3 28 B13R2.328 c1cc2c(cc(nc2Cl)Cl)nc1 LS40011 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,1,0,0,0,0|1,1,0]=3 30 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl LS20489 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl LS20299 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [0,1,0,0,0,0|1,0,0]=2 33 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl LS40889 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,0,1,0,0,0|2,1,0]=4 35 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,1,0,0,0|1,1,0]=3 36 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [0,0,0,0,1,0|3,0,0]=4 37 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,0,1,0|1,0,1]=3 38 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,0,1,0|1,1,1]=4 39 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [0,0,0,0,1,0|3,0,0]=4 40 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [0,0,0,0,1,0|2,0,0]=3 41 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,0,0,0,1,0|2,0,0]=3 42 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [0,0,0,0,1,0|3,0,0]=4 43 B11R2.36 c1c[nH]c2c1cc(cn2)Br LS00010 [0,0,0,0,1,0|3,0,0]=4 44 B11R2.36 c1c[nH]c2c1cc(cn2)Cl LS20805 [0,0,0,0,1,0|3,0,0]=4 45 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [0,0,0,0,1,0|2,0,0]=3 46 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [0,0,0,0,1,0|2,0,0]=3 47 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [0,0,0,0,1,0|1,1,0]=3 48 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [0,0,0,0,1,0|1,1,0]=3 49 B11R2.36 c1cc(nc2c1cc[nH]2)Br LS40890 [0,0,0,0,1,0|3,0,0]=4 50 B11R2.36 c1cc(nc2c1cc[nH]2)Cl LS20806 [0,0,0,0,1,0|3,0,0]=4 51 B11R2.36 c1cc(nc2c1cc[nH]2)F LS40390 [0,0,0,0,1,0|3,0,0]=4 52 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [0,0,0,0,1,0|2,1,0]=4 53 B11R2.36 c1cc2cn[nH]c2cc1I LS21119 [0,0,0,0,1,0|3,0,0]=4 54 B11R2.36 c1cn2ccnc2cc1Br LS40857 [0,0,0,0,1,0|3,0,0]=4 55 B10R1.4 C=CCc1ccccc1O LS11683 [1,0,1,0,0,0|1,0,1]=4 56 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [1,0,1,0,0,0|1,1,0]=4 57 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [0,1,1,0,0,0|1,1,0]=4 58 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 LS40892 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.1081 c1cc2c(cccn2)c(c1)Br LS21041 [1,1,0,0,0,0|1,0,0]=3 60 B12R2.1081 c1cc2cnccc2c(c1)Br LS20772 [1,1,0,0,0,0|1,0,0]=3 61 B12R2.1081 c1cc2cnccc2c(c1)N LS21163 [1,1,0,0,0,0|1,0,0]=3 62 B12R2.1081 c1ccc2c(c1)c(ccn2)Br LS20196 [1,1,0,0,0,0|1,0,0]=3 63 B12R2.1081 c1ccc2c(c1)c(ccn2)O LS21125 [1,1,0,0,0,0|1,0,0]=3 64 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl LS21169 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.1081 c1ccc2c(c1)cccc2Br LS11682 [1,1,0,0,0,0|0,0,0]=2 66 B12R2.1081 c1ccc2c(c1)cccc2F LS11687 [1,1,0,0,0,0|0,0,0]=2 67 B12R2.1081 c1ccc2c(c1)cccc2N LS41003 [1,1,0,0,0,0|0,0,0]=2 68 B12R2.1081 c1ccc2c(c1)ccnc2Cl LS20934 [1,1,0,0,0,0|1,0,0]=3 69 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [0,1,0,0,1,0|1,1,0]=4 70 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,1,0,0,1,0|1,1,0]=4 71 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl LS20088 [0,1,0,0,1,0|2,0,0]=4 72 B12R2.606 Cc1cc2cc(ccc2[nH]1)F LS20450 [0,1,0,0,1,0|2,0,0]=4 73 B12R2.44 CCc1ccc2c(c1)cc[nH]2 LS20080 [0,1,0,0,1,0|2,0,0]=4 74 B12R2.44 COc1ccc2c(c1)cc[nH]2 LS20135 [0,1,0,0,1,0|1,1,0]=4 75 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [0,1,0,0,1,0|1,1,0]=4 76 B12R2.44 c1cc(cc2c1cc[nH]2)C#N LS20300 [0,1,0,0,1,0|2,0,0]=4 77 B12R2.44 c1cc2c(cco2)cc1C=O LS40181 [0,1,0,0,1,0|1,1,0]=4 78 B12R2.82 Cc1c(ccc2c1[nH]cc2)F LS20154 [0,1,0,0,1,0|2,0,0]=4 79 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O LS20632 [0,1,0,0,1,0|1,1,0]=4 80 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F LS20302 [0,1,0,0,1,0|2,0,0]=4 81 B12R2.246 c1c[nH]c2c1cc(cc2F)F LS20955 [0,1,0,0,1,0|2,0,0]=4 82 B14R2.142 c1cc2ccc(nc2c(c1)O)C=O LS41908 [0,2,0,0,0,0|1,1,0]=4 83 B14R2.781 B(c1cc2ccccc2nc1)(O)O LS11116 [0,2,0,0,0,0|1,1,0]=4 84 B14R2.781 B(c1ccc2c(c1)cccn2)(O)O LS11120 [0,2,0,0,0,0|1,1,0]=4 85 B14R2.781 B(c1ccc2ccccc2c1)(O)O LS40263 [0,2,0,0,0,0|0,1,0]=3 86 B14R2.781 B(c1ccc2ccccc2n1)(O)O LS11115 [0,2,0,0,0,0|1,1,0]=4 87 B14R2.781 c1cc2cc(ccc2nc1)[N+](=O)[O-] LS20704 [0,2,0,0,0,0|1,1,0]=4 88 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O LS20865 [0,2,0,0,0,0|1,1,0]=4 89 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O LS20881 [0,2,0,0,0,0|1,1,0]=4 90 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O LS20126 [0,2,0,0,0,0|1,1,0]=4 91 B14R2.2332 COc1ccc2cc(ccc2c1)Br LS41201 [0,2,0,0,0,0|0,1,0]=3 92 B14R2.8045 Cc1cc(c2cccc(c2n1)O)Cl LS20152 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.8045 Cc1cc(nc2c1cccc2O)C LS20151 [0,2,0,0,0,0|2,0,0]=4 94 B14R2.8045 Cc1cccc2c1nc(cc2Cl)Cl LS20862 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)Cl)Cl LS20860 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.1146 c1ccc2c(c1)c(cc(=O)[nH]2)CBr LS40914 [0,2,0,0,0,0|1,1,0]=4 97 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [1,0,0,0,1,0|2,0,0]=4 98 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [1,0,0,0,1,0|2,0,0]=4 99 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,0,1,0|0,0,1]=3 100 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,0,1,0|1,0,0]=3 101 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,0,1,0|2,0,0]=4