0 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,0,0,0|1,0,0]=1 1 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,0,0,0|1,0,1]=2 2 B11R2.10 c1ccc2c(c1)CC(C2)N LS40608 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,0,0,0,0,0|2,0,2]=4 4 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [0,0,0,0,0,0|3,0,0]=3 6 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,0,0,0,0,0|2,0,0]=2 7 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [1,0,0,0,0,0|2,0,0]=3 8 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [1,0,0,0,0,0|2,0,0]=3 9 B10R2.7 c1cc2nccn2nc1 LS40935 [1,0,0,0,0,0|3,0,0]=4 10 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,0,0,0|1,0,0]=2 11 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,0,0,0|2,0,1]=4 12 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,0,0,0|1,0,1]=3 13 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,0,0,0|0,1,0]=2 14 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,0,0,0|2,0,0]=3 15 B10R2.7 c1ccc2c(c1)nsn2 LS41252 [1,0,0,0,0,0|3,0,0]=4 16 B10R2.7 c1cnc-2[nH]cncc12 LS40963 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.18 CC1Cc2ccccc2N1N LS20139 [0,1,0,0,0,0|1,0,2]=4 18 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,1,0,0,0,0|2,0,0]=3 19 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 LS40252 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl LS20088 [0,1,0,0,0,0|1,0,0]=2 21 B12R2.606 Cc1cc2cc(ccc2[nH]1)F LS20450 [0,1,0,0,0,0|1,0,0]=2 22 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.606 c1cc2c(cc1F)CC(=O)N2 LS20430 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.606 c1cc2c(cc1O)sc(n2)N LS40043 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.4 C=CCc1ccccc1O LS11683 [0,0,1,0,0,0|0,0,2]=3 27 B10R1.4 CCOc1ccccc1Br LS10370 [0,0,1,0,0,0|1,0,1]=3 28 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,0,1,0,0,0|2,0,1]=4 29 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,1,0,0,0|1,0,2]=4 30 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,1,0,0,0|1,0,2]=4 31 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [0,0,0,0,0,1|3,0,0]=4 32 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,0,0,0,0,1|1,0,0]=2 33 B12R2.24 c1cc2c(nc1)NC(=O)CO2 LS40780 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [0,0,0,0,0,1|3,0,0]=4 37 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [0,0,0,0,0,1|3,0,0]=4 38 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [0,0,0,0,0,1|3,0,0]=4 39 B12R2.24 c1cc2cnccc2cc1Br LS20209 [0,0,0,0,0,1|3,0,0]=4 40 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,0,0,1|2,0,1]=4 41 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,0,0,1|2,0,0]=3 42 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [0,0,0,0,0,1|2,0,0]=3 43 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [0,0,0,0,0,1|2,0,0]=3 44 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [0,0,0,0,0,1|2,0,0]=3 45 B9R1.8 CNNc1ccccc1 LS10173 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,1,0,0,0|1,0,1]=4 47 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,1,0,0,0|1,0,1]=4 48 B9R1.15 C=Cc1ccccc1Br LS11653 [1,0,1,0,0,0|1,0,0]=3 49 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,0,1,0,0,0|1,0,0]=3 50 B9R1.15 C=Cc1ccccc1F LS11647 [1,0,1,0,0,0|1,0,0]=3 51 B9R1.15 CNc1ccccc1Br LS11478 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.15 CNc1ccccc1F LS10646 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.15 COc1c(cccn1)I LS20331 [1,0,1,0,0,0|2,0,0]=4 54 B9R1.15 COc1cccnc1Br LS20368 [1,0,1,0,0,0|2,0,0]=4 55 B9R1.15 CSc1ccccc1Br LS11369 [1,0,1,0,0,0|1,1,0]=4 56 B9R1.15 Cc1ccccc1C=O LS11852 [1,0,1,0,0,0|1,0,1]=4 57 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,0,1,0,0,0|1,0,1]=4 60 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.81 CCOc1ccc(cc1N)N LS11503 [0,1,1,0,0,0|1,0,1]=4 62 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,1,0,0,0|1,0,1]=4 63 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,1,0,0,0|1,0,1]=4 64 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,1,0,0,0|1,0,1]=4 66 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,1,1,0,0,0|1,0,1]=4 67 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,1,1,0,0,0|2,0,0]=4 69 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,1,0,0,0|0,0,2]=4 70 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,1,0,0,0|0,0,2]=4 71 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,1,0,0,0|0,0,2]=4 72 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,1,0,0,0|1,0,0]=3 73 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,1,0,0,0|0,0,2]=4 74 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,1,0,0,0|1,0,1]=4 75 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,1,0,0,0|1,0,1]=4 77 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,1,0,0,0|1,0,1]=4 78 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,1,0,0,0|1,0,1]=4 79 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,1,0,0,0|1,0,1]=4 80 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,1,0,0,0|0,0,2]=4 81 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,1,0,0,0|0,0,2]=4 82 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [1,1,0,0,0,0|2,0,0]=4 83 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [1,1,0,0,0,0|2,0,0]=4 84 B11R2.36 c1c[nH]c2c1cc(cn2)Br LS00010 [1,1,0,0,0,0|2,0,0]=4 85 B11R2.36 c1c[nH]c2c1cc(cn2)Cl LS20805 [1,1,0,0,0,0|2,0,0]=4 86 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [1,1,0,0,0,0|1,0,0]=3 87 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [1,1,0,0,0,0|1,0,0]=3 88 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [1,1,0,0,0,0|1,0,0]=3 89 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [1,1,0,0,0,0|0,1,0]=3 90 B11R2.36 c1cc(nc2c1cc[nH]2)Br LS40890 [1,1,0,0,0,0|2,0,0]=4 91 B11R2.36 c1cc(nc2c1cc[nH]2)Cl LS20806 [1,1,0,0,0,0|2,0,0]=4 92 B11R2.36 c1cc(nc2c1cc[nH]2)F LS40390 [1,1,0,0,0,0|2,0,0]=4 93 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [1,1,0,0,0,0|0,0,2]=4 94 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [1,1,0,0,0,0|0,0,2]=4 95 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [1,1,0,0,0,0|2,0,0]=4 96 B11R2.36 c1cc2cn[nH]c2cc1I LS21119 [1,1,0,0,0,0|2,0,0]=4 97 B11R2.36 c1cn2ccnc2cc1Br LS40857 [1,1,0,0,0,0|2,0,0]=4 98 B11R2.106 Cc1cccc2c1[nH]cc2 LS20946 [1,1,0,0,0,0|1,0,0]=3 99 B11R2.106 c1c[nH]c2c1c(ccn2)Br LS20490 [1,1,0,0,0,0|2,0,0]=4 100 B11R2.106 c1c[nH]c2c1c(ccn2)Cl LS40318 [1,1,0,0,0,0|2,0,0]=4 101 B11R2.106 c1c[nH]c2c1c(ccn2)F LS40896 [1,1,0,0,0,0|2,0,0]=4 102 B11R2.106 c1cc(c2c(c1)[nH]cn2)N LS40244 [1,1,0,0,0,0|2,0,0]=4 103 B11R2.106 c1cc(c2cc[nH]c2c1)N LS21193 [1,1,0,0,0,0|1,0,0]=3 104 B11R2.106 c1cc2c(c(c1)I)OCO2 LS40633 [1,1,0,0,0,0|1,0,1]=4 105 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl LS00129 [1,1,0,0,0,0|1,0,0]=3 106 B11R2.106 c1cc2c(cc[nH]2)c(c1)F LS20629 [1,1,0,0,0,0|1,0,0]=3 107 B11R2.106 c1cc2c(ccs2)c(c1)Br LS20825 [1,1,0,0,0,0|0,1,0]=3 108 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br LS20792 [1,1,0,0,0,0|2,0,0]=4 109 B11R2.106 c1cc2c(cn[nH]2)c(c1)F LS20965 [1,1,0,0,0,0|2,0,0]=4 110 B11R2.106 c1cc2cc[nH]c2[n+](c1)[O-] LS20800 [1,1,0,0,0,0|2,0,0]=4 111 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [0,1,0,0,0,1|1,0,1]=4 112 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [0,1,0,0,0,1|1,0,0]=3 113 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [0,1,0,0,0,1|1,0,0]=3 114 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [0,1,0,0,0,1|1,0,0]=3 115 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [0,1,0,0,0,1|2,0,0]=4 118 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [0,1,0,0,0,1|2,0,0]=4 119 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,1,0,0,0,1|1,0,0]=3 121 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl LS20489 [0,1,0,0,0,1|2,0,0]=4 122 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl LS20299 [0,1,0,0,0,1|2,0,0]=4 123 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [0,1,0,0,0,1|2,0,0]=4 124 B13R2.3683 c1cc2c(cc1Br)CCC(=O)O2 LS40054 [0,1,0,0,0,1|1,0,1]=4 125 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl LS40889 [0,1,0,0,0,1|2,0,0]=4 126 B13R2.3028 c1cc2c(cc1Br)C(=O)C(=O)N2 LS20870 [0,2,0,0,0,0|2,0,0]=4 127 B13R2.3028 c1cc2c(cc1F)C(=O)C(=O)N2 LS40277 [0,2,0,0,0,0|2,0,0]=4 128 B13R2.4825 CC1Cc2c(cccc2Br)C1=O LS41119 [0,2,0,0,0,0|1,0,1]=4 129 B13R2.4825 Cc1cccc2c1NC(=O)C2=O LS20909 [0,2,0,0,0,0|2,0,0]=4 130 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O LS20907 [0,2,0,0,0,0|2,0,0]=4 131 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O LS20916 [0,2,0,0,0,0|2,0,0]=4 132 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 LS20918 [0,2,0,0,0,0|2,0,0]=4 133 B13R2.4856 c1cc2c(c(c1)Cl)C(=O)C(=O)N2 LS20922 [0,2,0,0,0,0|2,0,0]=4 134 B13R2.4856 c1cc2c(c(c1)F)C(=O)C(=O)N2 LS20919 [0,2,0,0,0,0|2,0,0]=4 135 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O LS20914 [0,2,0,0,0,0|2,0,0]=4 136 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O LS20866 [0,2,0,0,0,0|2,0,0]=4 137 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O LS20915 [0,2,0,0,0,0|2,0,0]=4 138 B13R2.26 CCCc1nc2ccccc2s1 LS40987 [0,2,0,0,0,0|1,1,0]=4 139 B13R2.435 B(c1cc2ccccc2o1)(O)O LS00109 [0,2,0,0,0,0|1,0,0]=3 140 B13R2.435 B(c1cc2ccccc2s1)(O)O LS11084 [0,2,0,0,0,0|1,1,0]=4 141 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O LS40345 [0,2,0,0,0,0|0,1,1]=4 142 B13R2.3050 Cc1cc2c([nH]1)ccc(c2F)O LS20757 [0,2,0,0,0,0|1,0,0]=3 143 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC LS00081 [0,2,0,0,0,0|1,0,0]=3 144 B13R2.13083 Cc1cc2c(cc1C)sc(n2)C LS40507 [0,2,0,0,0,0|1,1,0]=4 145 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,0,1,1,0,0|1,0,1]=4 146 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,0,1,0,1,0|2,0,0]=4 147 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,1,0,1,0|1,0,1]=4 148 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,0,1,0,1,0|1,0,1]=4 149 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,0,1,0,1,0|1,0,1]=4 150 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,1,0,1,0|2,0,0]=4 151 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,1,0,1,0|1,0,0]=3 152 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,1,0,1,0|1,1,0]=4 153 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,1,0,0,1|0,0,2]=4 154 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,0,1,0,0,1|2,0,0]=4 155 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,1,0,0,1|2,0,0]=4 156 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,1,0,0,1|1,0,0]=3