0 B11R2.20 c1cc2c(nc1)CCCC2 LS40266 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [0,0,0,0,0,0|1,0,2]=3 2 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [0,1,0,0,0,0|3,0,0]=4 4 B12R2.24 Cc1ccc2ccccc2n1 LS20882 [0,1,0,0,0,0|2,0,0]=3 5 B12R2.24 c1c(cnc2c1CNCC2)Cl LS40870 [0,1,0,0,0,0|1,0,2]=4 6 B12R2.24 c1c(cnc2c1CNCC2)N LS40867 [0,1,0,0,0,0|1,0,2]=4 7 B12R2.24 c1cc(nc2c1CNCC2)Cl LS40852 [0,1,0,0,0,0|1,0,2]=4 8 B12R2.24 c1cc2cc(ccc2nc1)Br LS20107 [0,1,0,0,0,0|2,0,0]=3 9 B12R2.24 c1cc2cc(ccc2nc1)Br LS20924 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.24 c1cc2cc(ccc2nc1)N LS20703 [0,1,0,0,0,0|2,0,0]=3 11 B12R2.24 c1cc2cc(ccc2nc1)O LS20702 [0,1,0,0,0,0|2,0,0]=3 12 B12R2.24 c1cc2ccc(cc2nc1)Br LS20471 [0,1,0,0,0,0|2,0,0]=3 13 B12R2.24 c1cc2cnccc2cc1Br LS20209 [0,1,0,0,0,0|0,0,2]=3 14 B12R2.24 c1cc2cncnc2cc1Cl LS21137 [0,1,0,0,0,0|1,0,2]=4 15 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,1,0,0,0,0|1,0,1]=3 16 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.24 c1ccc2cc(ccc2c1)Br LS20581 [0,1,0,0,0,0|1,0,1]=3 18 B12R2.24 c1ccc2cnc(cc2c1)Cl LS20460 [0,1,0,0,0,0|0,0,2]=3 19 B12R2.24 c1ccc2cnc(cc2c1)N LS20125 [0,1,0,0,0,0|0,0,2]=3 20 B12R2.1081 CC1c2ccccc2CCN1 LS21138 [0,1,0,0,0,0|0,0,2]=3 21 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 LS40892 [0,1,0,0,0,0|1,0,1]=3 22 B12R2.1081 c1cc2c(cccn2)c(c1)Br LS21041 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 LS40612 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.1081 c1cc2cnccc2c(c1)Br LS20772 [0,1,0,0,0,0|0,0,2]=3 25 B12R2.1081 c1cc2cnccc2c(c1)N LS21163 [0,1,0,0,0,0|0,0,2]=3 26 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N LS30071 [0,1,0,0,0,0|1,0,2]=4 27 B12R2.1081 c1ccc2c(c1)c(=O)[nH]nn2 LS41926 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.1081 c1ccc2c(c1)c(ccn2)Br LS20196 [0,1,0,0,0,0|2,0,0]=3 29 B12R2.1081 c1ccc2c(c1)c(ccn2)O LS21125 [0,1,0,0,0,0|2,0,0]=3 30 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl LS21169 [0,1,0,0,0,0|1,0,2]=4 31 B12R2.1081 c1ccc2c(c1)cccc2Br LS11682 [0,1,0,0,0,0|1,0,1]=3 32 B12R2.1081 c1ccc2c(c1)cccc2F LS11687 [0,1,0,0,0,0|1,0,1]=3 33 B12R2.1081 c1ccc2c(c1)cccc2N LS41003 [0,1,0,0,0,0|1,0,1]=3 34 B12R2.1081 c1ccc2c(c1)ccnc2Cl LS20934 [0,1,0,0,0,0|0,0,2]=3 35 B10R1.4 C=CCc1ccccc1O LS11683 [0,0,1,0,0,0|2,0,0]=3 36 B10R1.4 Cc1ccccc1CCO LS11237 [0,0,1,0,0,0|1,0,2]=4 37 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [0,0,1,0,0,0|1,0,2]=4 38 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [0,0,1,0,0,0|1,0,2]=4 39 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [0,0,1,0,0,0|3,0,0]=4 40 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [0,0,1,0,0,0|2,0,0]=3 42 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [0,0,1,0,0,0|2,0,1]=4 43 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [0,0,1,0,0,0|1,0,2]=4 44 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [0,0,1,0,0,0|2,0,1]=4 45 B10R1.20 CCc1ccccc1C=O LS00084 [0,0,1,0,0,0|2,0,0]=3 46 B10R1.20 COc1ccccc1CCl LS10029 [0,0,1,0,0,0|2,0,1]=4 47 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [0,0,1,0,0,0|2,0,1]=4 48 B10R1.20 c1ccc(c(c1)CBr)C#N LS10612 [0,0,1,0,0,0|2,0,1]=4 49 B10R1.20 c1ccc(c(c1)CCl)C#N LS11849 [0,0,1,0,0,0|2,0,1]=4 50 B10R1.20 c1ccc(c(c1)CCl)CCl LS10651 [0,0,1,0,0,0|2,0,1]=4 51 B10R2.7 c1cc2c(cc[nH]2)nc1 LS21035 [0,0,0,0,1,0|1,0,0]=2 52 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [0,0,0,0,1,0|1,0,2]=4 53 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [0,0,0,0,1,0|1,0,0]=2 54 B10R2.7 c1cc2nccn2nc1 LS40935 [0,0,0,0,1,0|2,0,1]=4 55 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [0,0,0,0,1,0|0,0,0]=1 56 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [0,0,0,0,1,0|0,0,1]=2 57 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [0,0,0,0,1,0|2,0,1]=4 58 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [0,0,0,0,1,0|1,0,0]=2 59 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [0,0,0,0,1,0|1,0,0]=2 60 B10R2.7 c1ccc2c(c1)nsn2 LS41252 [0,0,0,0,1,0|2,0,1]=4 61 B10R2.7 c1cnc-2[nH]cncc12 LS40963 [0,0,0,0,1,0|2,0,1]=4 62 B9R1.8 CNNc1ccccc1 LS10173 [1,0,1,0,0,0|1,0,0]=3 63 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.8 c1ccc(cc1)CCN LS10634 [1,0,1,0,0,0|0,0,2]=4 65 B9R1.8 c1ccc(cc1)CCN LS10635 [1,0,1,0,0,0|0,0,2]=4 66 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,1,0,0,0|1,0,0]=3 67 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,1,0,0,0|1,0,0]=3 68 B9R1.8 c1ccc(cc1)CON LS40003 [1,0,1,0,0,0|1,0,1]=4 69 B9R1.15 C=Cc1ccccc1Br LS11653 [1,0,1,0,0,0|1,0,0]=3 70 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,0,1,0,0,0|1,0,0]=3 71 B9R1.15 C=Cc1ccccc1F LS11647 [1,0,1,0,0,0|1,0,0]=3 72 B9R1.15 CNc1ccccc1Br LS11478 [1,0,1,0,0,0|1,0,1]=4 73 B9R1.15 CNc1ccccc1F LS10646 [1,0,1,0,0,0|1,0,1]=4 74 B9R1.15 Cc1ccccc1C#C LS11393 [1,0,1,0,0,0|0,0,2]=4 75 B9R1.15 Cc1ccccc1C=O LS11852 [1,0,1,0,0,0|1,0,0]=3 76 B9R1.15 Cc1ccccc1CBr LS11262 [1,0,1,0,0,0|1,0,1]=4 77 B9R1.15 Cc1ccccc1CN LS11218 [1,0,1,0,0,0|0,0,1]=3 78 B9R1.15 Cc1ccccc1CO LS11274 [1,0,1,0,0,0|1,0,1]=4 79 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [1,0,1,0,0,0|2,0,0]=4 80 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,0,1,0,0,0|1,0,0]=3 81 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [1,0,1,0,0,0|2,0,0]=4 82 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [1,0,1,0,0,0|1,0,0]=3 84 B9R1.15 c1ccc(c(c1)CO)F LS11270 [1,0,1,0,0,0|2,0,0]=4 85 B9R1.15 c1ccc(c(c1)CO)I LS11276 [1,0,1,0,0,0|2,0,0]=4 86 B9R1.15 c1ccc(c(c1)CO)N LS10594 [1,0,1,0,0,0|1,0,1]=4 87 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [1,0,1,0,0,0|2,0,0]=4 88 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,0,1,0,0,0|2,0,0]=4 89 B11R1.81 CNCc1ccc(cc1Cl)Cl LS10751 [0,1,1,0,0,0|1,0,1]=4 90 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,1,1,0,0,0|1,0,1]=4 91 B11R1.1 CNCCc1ccc(cc1)O LS10122 [0,1,1,0,0,0|0,0,2]=4 92 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,1,1,0,0,0|1,0,1]=4 93 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,1,1,0,0,0|2,0,0]=4 96 B11R2.1 c1c(c2cncnc2[nH]1)I LS40983 [0,1,0,0,1,0|2,0,0]=4 97 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [0,1,0,0,1,0|1,0,0]=3 98 B11R2.1 c1cc2c(nc1)COC2=O LS41441 [0,1,0,0,1,0|2,0,0]=4 99 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,1,0,0,1,0|0,0,2]=4 100 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,1,0,0,1,0|0,0,2]=4 101 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,1,0,0,1,0|0,0,0]=2 102 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,1,0,0,1,0|1,0,0]=3 103 B11R2.10 c1ccc2c(c1)CC(C2)N LS40608 [0,1,0,0,1,0|0,0,2]=4 104 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,1,0,0,1,0|0,0,2]=4 105 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [0,1,0,0,1,0|1,0,0]=3 106 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [0,1,0,0,1,0|1,0,0]=3 107 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,1,0,0,1,0|1,0,1]=4 108 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [0,1,0,0,1,0|1,0,0]=3 109 B11R2.36 c1c2cn[nH]c2cnc1Br LS40097 [0,1,0,0,1,0|2,0,0]=4 110 B11R2.36 c1c[nH]c2c1cc(cn2)Br LS00010 [0,1,0,0,1,0|1,0,0]=3 111 B11R2.36 c1c[nH]c2c1cc(cn2)Cl LS20805 [0,1,0,0,1,0|1,0,0]=3 112 B11R2.36 c1c[nH]c2c1nc(cn2)Cl LS40853 [0,1,0,0,1,0|2,0,0]=4 113 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [0,1,0,0,1,0|0,0,0]=2 114 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [0,1,0,0,1,0|0,0,0]=2 115 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [0,1,0,0,1,0|0,0,0]=2 116 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [0,1,0,0,1,0|1,0,0]=3 117 B11R2.36 c1cc(nc2c1cc[nH]2)Br LS40890 [0,1,0,0,1,0|1,0,0]=3 118 B11R2.36 c1cc(nc2c1cc[nH]2)Cl LS20806 [0,1,0,0,1,0|1,0,0]=3 119 B11R2.36 c1cc(nc2c1cc[nH]2)F LS40390 [0,1,0,0,1,0|1,0,0]=3 120 B11R2.36 c1cc2c(cc1Br)CCN2 LS20952 [0,1,0,0,1,0|0,0,2]=4 121 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [0,1,0,0,1,0|1,0,1]=4 122 B11R2.36 c1cc2c(cc1Br)CNC2 LS20867 [0,1,0,0,1,0|0,0,1]=3 123 B11R2.36 c1cc2c(cc1Br)NCC2 LS20158 [0,1,0,0,1,0|0,0,2]=4 124 B11R2.36 c1cc2c(cc1Cl)CCN2 LS20157 [0,1,0,0,1,0|0,0,2]=4 125 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [0,1,0,0,1,0|1,0,1]=4 126 B11R2.36 c1cc2c(cc1N)CNC2 LS40052 [0,1,0,0,1,0|0,0,1]=3 127 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [0,1,0,0,1,0|1,0,0]=3 128 B11R2.36 c1cc2cn[nH]c2cc1I LS21119 [0,1,0,0,1,0|1,0,0]=3 129 B11R2.36 c1cn2ccnc2cc1Br LS40857 [0,1,0,0,1,0|1,0,1]=4 130 B11R2.106 Cc1cccc2c1[nH]cc2 LS20946 [0,1,0,0,1,0|0,0,0]=2 131 B11R2.106 c1c[nH]c2c1c(ccn2)Br LS20490 [0,1,0,0,1,0|1,0,0]=3 132 B11R2.106 c1c[nH]c2c1c(ccn2)Cl LS40318 [0,1,0,0,1,0|1,0,0]=3 133 B11R2.106 c1c[nH]c2c1c(ccn2)F LS40896 [0,1,0,0,1,0|1,0,0]=3 134 B11R2.106 c1c[nH]c2c1c(ncn2)N LS40962 [0,1,0,0,1,0|2,0,0]=4 135 B11R2.106 c1c[nH]c2c1c(ncn2)O LS40213 [0,1,0,0,1,0|2,0,0]=4 136 B11R2.106 c1c[nH]c2c1ncnc2Cl LS40093 [0,1,0,0,1,0|2,0,0]=4 137 B11R2.106 c1cc(c2c(c1)[nH]cn2)N LS40244 [0,1,0,0,1,0|1,0,0]=3 138 B11R2.106 c1cc(c2cc[nH]c2c1)N LS21193 [0,1,0,0,1,0|0,0,0]=2 139 B11R2.106 c1cc2c(c(c1)Br)CNC2 LS20869 [0,1,0,0,1,0|0,0,1]=3 140 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl LS00129 [0,1,0,0,1,0|0,0,0]=2 141 B11R2.106 c1cc2c(cc[nH]2)c(c1)F LS20629 [0,1,0,0,1,0|0,0,0]=2 142 B11R2.106 c1cc2c(ccs2)c(c1)Br LS20825 [0,1,0,0,1,0|1,0,0]=3 143 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br LS20792 [0,1,0,0,1,0|1,0,0]=3 144 B11R2.106 c1cc2c(cn[nH]2)c(c1)F LS20965 [0,1,0,0,1,0|1,0,0]=3 145 B11R2.106 c1cc2cc[nH]c2[n+](c1)[O-] LS20800 [0,1,0,0,1,0|1,0,0]=3 146 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 LS40147 [0,1,0,0,0,1|1,0,1]=4 147 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 LS41750 [0,1,0,0,0,1|1,0,1]=4 148 B13R2.5252 c1ccc2c(c1)CCCCC2=O LS11823 [0,1,0,0,0,1|1,0,1]=4 149 B13R2.57 c1cc2cc(ccc2nc1)C=O LS00079 [0,2,0,0,0,0|2,0,0]=4 150 B13R2.57 c1ccc2cc(ccc2c1)C=O LS40773 [0,2,0,0,0,0|1,0,1]=4 151 B13R2.57 c1ccc2cc(ccc2c1)CBr LS40772 [0,2,0,0,0,0|1,0,1]=4 152 B13R2.57 c1ccc2cc(ccc2c1)CN LS40774 [0,2,0,0,0,0|1,0,1]=4 153 B13R2.57 c1ccc2cc(ccc2c1)CO LS40771 [0,2,0,0,0,0|1,0,1]=4 154 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [0,2,0,0,0,0|2,0,0]=4 155 B13R2.155 c1cc(cc2c1ccc(c2)Br)Br LS11864 [0,2,0,0,0,0|1,0,1]=4 156 B13R2.155 c1cc(cc2c1ccc(c2)Br)O LS40964 [0,2,0,0,0,0|1,0,1]=4 157 B13R2.162 c1cc2c(cc1Br)C(=O)CCC2 LS41948 [0,2,0,0,0,0|1,0,1]=4 158 B13R2.162 c1cc2ccc(nc2c(c1)Cl)Cl LS20831 [0,2,0,0,0,0|2,0,0]=4 159 B13R2.162 c1cc2ccc(nc2c(c1)O)O LS40646 [0,2,0,0,0,0|2,0,0]=4 160 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O LS40467 [0,2,0,0,0,0|2,0,0]=4 161 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl LS20299 [0,2,0,0,0,0|0,0,2]=4 162 B13R2.3683 c1cc(cc2c1cc(cc2)Br)Br LS11863 [0,2,0,0,0,0|1,0,1]=4 163 B13R2.3683 c1cc2c(cc1Br)CCC(=O)O2 LS40054 [0,2,0,0,0,0|2,0,0]=4 164 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 LS40056 [0,2,0,0,0,0|1,0,1]=4 165 B13R2.342 c1cc2c(c(c1)O)CCCC2=O LS41452 [0,2,0,0,0,0|1,0,1]=4 166 B13R2.342 c1cc2c(cccc2N)c(c1)N LS41196 [0,2,0,0,0,0|1,0,1]=4 167 B13R2.371 c1ccc2c(c1)c(=O)[nH][nH]c2=O LS40908 [0,2,0,0,0,0|1,0,1]=4 168 B13R2.371 c1ccc2c(c1)c(ccc2Br)N LS41616 [0,2,0,0,0,0|1,0,1]=4 169 B13R2.1613 c1cc2cccnc2c(c1)C=O LS40879 [0,2,0,0,0,0|2,0,0]=4