0 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 LS40892 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.1081 c1cc2c(cccn2)c(c1)Br LS21041 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 LS40612 [0,0,0,0,0,0|0,0,4]=4 3 B12R2.1081 c1cc2c(nc1)C(CCC2)O LS40150 [0,0,0,0,0,0|0,0,4]=4 4 B12R2.1081 c1cc2cnccc2c(c1)Br LS20772 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.1081 c1cc2cnccc2c(c1)N LS21163 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.1081 c1ccc2c(c1)c(ccn2)Br LS20196 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 c1ccc2c(c1)c(ccn2)O LS21125 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl LS21169 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.1081 c1ccc2c(c1)cccc2Br LS11682 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.1081 c1ccc2c(c1)cccc2F LS11687 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.1081 c1ccc2c(c1)cccc2N LS41003 [0,0,0,0,0,0|2,0,0]=2 12 B12R2.1081 c1ccc2c(c1)ccnc2Cl LS20934 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.32 c1cc2c(c(c1N)Br)nccn2 LS40346 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.162 c1cc2c(cc1Br)c(ncn2)O LS40887 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.162 c1cc2c(cc1I)c(ncn2)O LS20468 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [0,1,0,0,0,0|0,0,0]=1 18 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl LS20299 [0,1,0,0,0,0|3,0,0]=4 20 B13R2.342 c1cc2c(c(c1)Cl)ncnc2Cl LS40880 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.342 c1cc2c(c(c1)O)CCCC2=O LS41452 [0,1,0,0,0,0|1,0,2]=4 22 B13R2.342 c1cc2c(cccc2N)c(c1)N LS41196 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.371 c1ccc2c(c1)c(ccc2Br)N LS41616 [0,1,0,0,0,0|2,0,0]=3 24 B13R2.1613 c1cc2cccnc2c(c1)C=O LS40879 [0,1,0,0,0,0|0,0,1]=2 25 B13R2.4818 c1cc2c(c(c1)Br)c(ncn2)O LS40883 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.5179 c1c(cnc2c1nc[nH]c2=O)Br LS40856 [0,1,0,0,0,0|2,0,1]=4 27 B11R2.106 Cc1cccc2c1[nH]cc2 LS20946 [0,0,0,0,1,0|1,0,1]=3 28 B11R2.106 c1c[nH]c2c1c(ccn2)Br LS20490 [0,0,0,0,1,0|3,0,0]=4 29 B11R2.106 c1c[nH]c2c1c(ccn2)Cl LS40318 [0,0,0,0,1,0|3,0,0]=4 30 B11R2.106 c1c[nH]c2c1c(ccn2)F LS40896 [0,0,0,0,1,0|3,0,0]=4 31 B11R2.106 c1c[nH]c2c1c(ncn2)O LS40213 [0,0,0,0,1,0|3,0,0]=4 32 B11R2.106 c1cc(c2c(c1)[nH]cn2)N LS40244 [0,0,0,0,1,0|2,0,0]=3 33 B11R2.106 c1cc(c2cc[nH]c2c1)N LS21193 [0,0,0,0,1,0|2,0,0]=3 34 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl LS00129 [0,0,0,0,1,0|2,0,0]=3 35 B11R2.106 c1cc2c(cc[nH]2)c(c1)F LS20629 [0,0,0,0,1,0|2,0,0]=3 36 B11R2.106 c1cc2c(ccs2)c(c1)Br LS20825 [0,0,0,0,1,0|2,0,0]=3 37 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br LS20792 [0,0,0,0,1,0|3,0,0]=4 38 B11R2.106 c1cc2c(cn[nH]2)c(c1)F LS20965 [0,0,0,0,1,0|3,0,0]=4 39 B11R2.106 c1cc2cc[nH]c2[n+](c1)[O-] LS20800 [0,0,0,0,1,0|1,0,2]=4 40 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [1,0,1,0,0,0|2,0,0]=4 41 B10R1.4 C=CCc1ccccc1O LS11683 [1,0,1,0,0,0|0,0,1]=3 42 B10R1.61 Cc1cccnc1C(=O)O LS20983 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [1,0,1,0,0,0|2,0,0]=4 44 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,0,1,0,0,0|2,0,0]=4 45 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [1,0,1,0,0,0|2,0,0]=4 46 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.261 c1cc(c(nc1)C(=O)O)C(=O)O LS20272 [0,1,1,0,0,0|2,0,0]=4 49 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [1,1,0,0,0,0|1,0,0]=3 50 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [1,1,0,0,0,0|0,0,0]=2 51 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [1,1,0,0,0,0|0,0,0]=2 52 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [1,1,0,0,0,0|0,0,0]=2 53 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [1,1,0,0,0,0|0,0,0]=2 54 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [1,1,0,0,0,0|0,0,0]=2 55 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [1,1,0,0,0,0|0,0,0]=2 56 B12R2.24 c1cc2cnccc2cc1Br LS20209 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.24 c1cc2cncnc2cc1Cl LS21137 [1,1,0,0,0,0|1,0,0]=3 58 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [1,1,0,0,0,0|1,0,0]=3 59 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO LS20980 [0,1,0,0,1,0|2,0,0]=4 62 B12R2.82 Cc1c(ccc2c1[nH]cc2)F LS20154 [0,1,0,0,1,0|1,0,1]=4 63 B12R2.221 Cc1ccc(c2c1CC=C2)C LS40269 [0,1,0,0,1,0|1,0,1]=4 64 B12R2.221 c1cc(c2c(c1F)cc[nH]2)F LS20301 [0,1,0,0,1,0|1,0,1]=4 65 B12R2.246 c1c[nH]c2c1c(cc(c2)F)F LS20302 [0,1,0,0,1,0|2,0,0]=4 66 B12R2.246 c1c[nH]c2c1cc(cc2F)F LS20955 [0,1,0,0,1,0|1,0,1]=4 67 B12R2.315 COc1cccc2c1cc[nH]2 LS21192 [0,1,0,0,1,0|1,0,0]=3 68 B12R2.315 c1cc(c2cc[nH]c2c1)C#N LS20475 [0,1,0,0,1,0|2,0,0]=4 69 B12R2.315 c1cc2cc[nH]c2c(c1)C#N LS20017 [0,1,0,0,1,0|1,0,1]=4 70 B12R2.315 c1cc2cc[nH]c2c(c1)C=O LS20476 [0,1,0,0,1,0|0,0,2]=4 71 B14R2.142 c1cc2ccc(nc2c(c1)O)C=O LS41908 [0,2,0,0,0,0|0,0,0]=2 72 B14R2.8045 Cc1cc(c2cccc(c2n1)O)Cl LS20152 [0,2,0,0,0,0|0,0,0]=2 73 B14R2.8045 Cc1cc(nc2c1cccc2O)C LS20151 [0,2,0,0,0,0|0,0,0]=2 74 B14R2.8045 Cc1cccc2c1nc(cc2Cl)Cl LS20862 [0,2,0,0,0,0|1,0,0]=3 75 B14R2.8045 c1cc2c(c(c1)Br)nc(nc2O)O LS40882 [0,2,0,0,0,0|2,0,0]=4 76 B14R2.31359 B(c1cccc2c1cccc2)(O)O LS00101 [0,2,0,0,0,0|1,0,0]=3 77 B14R2.31359 B(c1cccc2c1cccn2)(O)O LS11119 [0,2,0,0,0,0|2,0,0]=4 78 B14R2.31359 B(c1cccc2c1nccc2)(O)O LS11121 [0,2,0,0,0,0|0,0,0]=2 79 B14R2.31359 B(c1ccnc2c1cccc2)(O)O LS11117 [0,2,0,0,0,0|2,0,0]=4 80 B14R2.31359 B(c1cncc2c1cccc2)(O)O LS11118 [0,2,0,0,0,0|2,0,0]=4 81 B14R2.31359 B(c1cncc2c1cccc2)(O)O LS11122 [0,2,0,0,0,0|2,0,0]=4 82 B14R2.31359 CC(=O)c1cccc2c1cccc2 LS11716 [0,2,0,0,0,0|1,0,1]=4 83 B14R2.31359 C[C@H](c1cccc2c1cccc2)N LS30124 [0,2,0,0,0,0|2,0,0]=4 84 B14R2.31359 c1cc2cccnc2c(c1)C(=O)O LS20150 [0,2,0,0,0,0|0,0,0]=2 85 B12R2.2 c1ccnc(c1)c2cccs2 LS20668 [0,0,1,1,0,0|0,1,0]=3 86 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [1,0,0,0,1,0|1,0,0]=3 87 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [1,0,0,0,1,0|1,0,0]=3 88 B10R2.7 c1cc2nccn2nc1 LS40935 [1,0,0,0,1,0|2,0,0]=4 89 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,0,1,0|0,0,1]=3 90 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,0,1,0|1,0,0]=3 91 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,0,1,0|1,0,1]=4 92 B10R2.7 c1ccc2c(c1)nsn2 LS41252 [1,0,0,0,1,0|2,0,0]=4 93 B10R2.7 c1cnc-2[nH]cncc12 LS40963 [1,0,0,0,1,0|2,0,0]=4