0 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.10 c1ccc2c(c1)CC(C2)N LS40608 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [0,0,0,0,0,0|2,0,0]=2 5 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [0,0,0,0,0,0|2,0,0]=2 6 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,0,0,0,0,0|1,0,0]=1 7 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [1,0,0,0,0,0|2,0,1]=4 8 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [1,0,0,0,0,0|2,0,1]=4 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|2,0,0]=3 11 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,0,0,0|3,0,0]=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|1,1,0]=3 14 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,0,0,0|2,0,1]=4 15 B10R2.7 c1ccc2c(c1)nsn2 LS41252 [1,0,0,0,0,0|2,0,0]=3 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|2,0,1]=4 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|1,0,1]=3 21 B12R2.606 Cc1cc2cc(ccc2[nH]1)F LS20450 [0,1,0,0,0,0|1,0,1]=3 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|1,1,0]=3 26 B10R1.4 C=CCc1ccccc1O LS11683 [0,0,1,0,0,0|1,0,1]=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|3,0,0]=4 29 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,1,0,0,0|2,0,1]=4 30 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,1,0,0,0|2,0,1]=4 31 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,0,0,0,0,1|1,0,0]=2 32 B12R2.24 c1cc2c(nc1)NC(=O)CO2 LS40780 [0,0,0,0,0,1|2,0,1]=4 33 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,0,0,1|1,0,1]=3 35 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [0,0,0,0,0,1|2,0,0]=3 37 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [0,0,0,0,0,1|2,0,0]=3 38 B9R1.8 CNNc1ccccc1 LS10173 [1,0,1,0,0,0|1,0,1]=4 39 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,1,0,0,0|2,0,0]=4 41 B9R1.15 C=Cc1ccccc1Br LS11653 [1,0,1,0,0,0|1,0,1]=4 42 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,0,1,0,0,0|1,0,1]=4 43 B9R1.15 C=Cc1ccccc1F LS11647 [1,0,1,0,0,0|1,0,1]=4 44 B9R1.15 CNc1ccccc1Br LS11478 [1,0,1,0,0,0|1,0,1]=4 45 B9R1.15 CNc1ccccc1F LS10646 [1,0,1,0,0,0|1,0,1]=4 46 B9R1.15 COc1c(cccn1)I LS20331 [1,0,1,0,0,0|2,0,0]=4 47 B9R1.15 COc1cccnc1Br LS20368 [1,0,1,0,0,0|2,0,0]=4 48 B9R1.15 CSc1ccccc1Br LS11369 [1,0,1,0,0,0|1,1,0]=4 49 B9R1.15 Cc1ccccc1C=O LS11852 [1,0,1,0,0,0|2,0,0]=4 50 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,0,1,0,0,0|1,0,1]=4 53 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,0,1,0,0,0|1,0,1]=4 54 B11R1.81 CCOc1ccc(cc1N)N LS11503 [0,1,1,0,0,0|0,0,2]=4 55 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,1,0,0,0|2,0,0]=4 56 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,1,0,0,0|2,0,0]=4 57 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,1,0,0,0|2,0,0]=4 58 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,1,0,0,0|2,0,0]=4 59 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,1,0,0,0|1,0,1]=4 60 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,1,0,0,0|1,0,1]=4 61 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,1,0,0,0|1,0,1]=4 62 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,1,0,0,0|1,0,0]=3 63 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,1,0,0,0|1,0,1]=4 64 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,1,0,0,0|0,0,2]=4 65 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,1,0,0,0|2,0,0]=4 67 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,1,0,0,0|2,0,0]=4 68 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,1,0,0,0|2,0,0]=4 69 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,1,0,0,0|2,0,0]=4 70 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,1,0,0,0|1,0,1]=4 71 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,1,0,0,0|1,0,1]=4 72 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [1,1,0,0,0,0|1,0,1]=4 73 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [1,1,0,0,0,0|1,0,1]=4 74 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [1,1,0,0,0,0|1,0,1]=4 75 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [1,1,0,0,0,0|1,1,0]=4 76 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [1,1,0,0,0,0|1,0,1]=4 77 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [1,1,0,0,0,0|1,0,1]=4 78 B11R2.36 c1cc2ncnn2cc1Br LS40145 [1,1,0,0,0,0|2,0,0]=4 79 B11R2.36 c1cc2ncnn2cc1I LS40901 [1,1,0,0,0,0|2,0,0]=4 80 B11R2.36 c1cn2ccnc2cc1Br LS40857 [1,1,0,0,0,0|2,0,0]=4 81 B11R2.106 Cc1cccc2c1[nH]cc2 LS20946 [1,1,0,0,0,0|1,0,1]=4 82 B11R2.106 c1cc(c2c(c1)[nH]cn2)N LS40244 [1,1,0,0,0,0|1,0,0]=3 83 B11R2.106 c1cc(c2cc[nH]c2c1)N LS21193 [1,1,0,0,0,0|1,0,1]=4 84 B11R2.106 c1cc2c(c(c1)I)OCO2 LS40633 [1,1,0,0,0,0|1,0,1]=4 85 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl LS00129 [1,1,0,0,0,0|1,0,1]=4 86 B11R2.106 c1cc2c(cc[nH]2)c(c1)F LS20629 [1,1,0,0,0,0|1,0,1]=4 87 B11R2.106 c1cc2c(ccs2)c(c1)Br LS20825 [1,1,0,0,0,0|1,1,0]=4 88 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [0,1,0,0,0,1|2,0,0]=4 89 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [0,1,0,0,0,1|2,0,0]=4 90 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [0,1,0,0,0,1|2,0,0]=4 91 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [0,1,0,0,0,1|2,0,0]=4 92 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl LS20489 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl LS20299 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.3683 c1cc2c(cc1Br)CCC(=O)O2 LS40054 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl LS40889 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.26 CCCc1nc2ccccc2s1 LS40987 [0,2,0,0,0,0|0,1,0]=3 99 B13R2.43 c1cc2c(cc1O)sc(n2)C#N LS41856 [0,2,0,0,0,0|0,1,1]=4 100 B13R2.435 B(c1cc2ccccc2o1)(O)O LS00109 [0,2,0,0,0,0|2,0,0]=4 101 B13R2.3050 Cc1cc2c([nH]1)ccc(c2F)O LS20757 [0,2,0,0,0,0|1,0,1]=4 102 B13R2.2121 COc1ccc2c(c1)sc(n2)Br LS40639 [0,2,0,0,0,0|1,1,0]=4 103 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC LS00081 [0,2,0,0,0,0|1,0,1]=4 104 B13R2.13083 Cc1cc2=NC(=O)N=c2cc1N LS40557 [0,2,0,0,0,0|2,0,0]=4 105 B13R2.13083 Cc1cc2c(cc1C)sc(n2)C LS40507 [0,2,0,0,0,0|0,1,0]=3 106 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,0,1,1,0,0|0,0,2]=4 107 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,0,1,0,1,0|2,0,0]=4 108 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,1,0,1,0|1,0,1]=4 109 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,0,1,0,1,0|0,0,2]=4 110 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,0,1,0,1,0|0,0,2]=4 111 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,1,0,1,0|1,0,0]=3 112 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,1,0,1,0|1,0,0]=3 113 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,1,0,1,0|1,0,1]=4 114 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,0,1,0,1,0|2,0,0]=4 115 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,1,0,0,1|1,0,1]=4 116 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,1,0,0,1|1,0,1]=4 117 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,0,1,0,0,1|1,1,0]=4 118 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,1,0,0,1|2,0,0]=4