0 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.8 CNNc1ccccc1 LS10173 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 c1ccc(cc1)CCN LS10634 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.8 c1ccc(cc1)CCN LS10635 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 c1ccc(cc1)CON LS40003 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.8 c1ccnc(c1)CC#N LS20875 [1,0,0,0,0,0|1,0,2]=4 12 B9R1.8 c1cnccc1CCN LS21103 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.36 CC(C)[C@H](c1ccccc1)O LS30202 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.509 CS(=O)(=O)Nc1ccccc1 LS40014 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.509 C[N+](C)(C)Cc1ccccc1 LS40342 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.509 C[N+](C)(C)Cc1ccccc1 LS41183 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.509 c1ccc(cc1)OC(Cl)(Cl)Cl LS10133 [0,1,0,0,0,0|3,0,0]=4 36 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,1,0,0|1,0,1]=3 37 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,1,0,0|2,0,1]=4 38 B11R2.10 c1ccc2c(c1)CC(C2)N LS40608 [0,0,0,1,0,0|0,0,0]=1 39 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,0,0,1,0,0|1,0,0]=2 40 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [0,0,0,1,0,0|2,0,1]=4 41 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,0,0,1,0|2,0,1]=4 44 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,0,0,0,1,0|0,0,0]=1 45 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,0,0,0,1,0|0,0,0]=1 46 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,0,0,0,1,0|2,0,1]=4 47 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,0,0,1,0|1,0,1]=3 48 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,0,0,1,0|2,0,1]=4 49 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,0,0,1,0|1,0,1]=3 50 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,0,0,0,1,0|2,0,1]=4 51 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [0,0,0,0,0,1|3,0,0]=4 52 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,0,1|1,0,1]=3 53 B11R1.91 CC(CCc1ccccc1)N LS10632 [0,0,0,0,0,1|0,0,0]=1 54 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,0,1|1,0,1]=3 55 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,0,0,0,0,1|1,0,1]=3 56 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|0,0,2]=4 57 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|1,0,1]=4 59 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.2 c1cnc(cn1)CN LS20127 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 c1cnc(cn1)CN LS20128 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 c1cnccc1CN LS20857 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 c1cnccc1NN LS20045 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.1 CCOc1ccc(cn1)Br LS20352 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,1,0,0,0,0|0,0,0]=2 66 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [1,1,0,0,0,0|0,0,2]=4 68 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,1,0,0,0,0|0,0,0]=2 72 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|0,0,2]=4 76 B10R1.4 CCOc1ccccc1Br LS10370 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [1,1,0,0,0,0|0,0,0]=2 85 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.15 CC(CN)c1ccccc1 LS10637 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.15 CC(CN)c1ccccc1 LS10638 [1,1,0,0,0,0|0,0,0]=2 90 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [1,1,0,0,0,0|0,0,0]=2 91 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.15 c1ccc(cc1)C(=O)CBr LS11352 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.15 c1ccc(cc1)C(=O)CCl LS11677 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [1,1,0,0,0,0|0,0,2]=4 103 B10R1.17 c1ccc(cc1)NCCN LS10740 [1,1,0,0,0,0|0,0,0]=2 104 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,1,0,0,1,0|1,0,1]=4 105 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,1,0,0,1,0|1,0,1]=4 106 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,1,0,0,1,0|1,0,1]=4 107 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,1,0,0,1,0|1,0,1]=4 108 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,1,0,0,1,0|1,0,1]=4 111 B10R1.28 CC(C)(c1ccccc1)O LS11531 [0,1,0,0,1,0|1,0,0]=3 112 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,1,0,0,1,0|1,0,1]=4 113 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,1,0,0,1,0|1,0,1]=4 114 B10R1.61 CN(C)c1ccccc1Br LS10558 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.61 CN(C)c1ccccc1Cl LS10168 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.61 CN(C)c1ccccc1F LS10242 [0,1,0,0,1,0|2,0,0]=4 117 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,1,0,0,1,0|1,0,0]=3 118 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,1,0,0,1,0|1,0,1]=4 119 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,1,0,0,1,0|1,0,1]=4 120 B10R1.113 CN(C)c1cccc(c1)O LS11214 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [0,1,0,0,1,0|1,0,1]=4 122 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,1,0,0,0,1|1,0,1]=4 123 B12R1.4 CCc1ccc(cc1)CC(=O)C LS10066 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.34 COC(=O)C(c1ccccc1)Br LS11730 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.371 COC(=O)Cc1ccccc1O LS10128 [0,2,0,0,0,0|1,0,1]=4 126 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [1,0,0,1,0,0|1,0,0]=3 127 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|0,0,2]=4 128 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,1,0,0|1,0,0]=3 129 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|2,0,0]=4 130 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,1,0,0|1,0,1]=4 131 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,1,0,1|1,0,1]=4 132 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,1,0,1|1,0,1]=4 133 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 LS30254 [0,0,0,1,0,1|1,0,0]=3 134 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 LS00142 [0,0,0,1,0,1|1,0,0]=3 135 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl LS20088 [0,1,0,1,0,0|0,0,2]=4 136 B12R2.606 Cc1cc2cc(ccc2[nH]1)F LS20450 [0,1,0,1,0,0|0,0,2]=4 137 B12R2.606 c1cc2c(cc1Br)CC(C2)N LS40649 [0,1,0,1,0,0|0,0,0]=2 138 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [0,1,0,1,0,0|1,0,1]=4 139 B12R2.606 c1cc2c(cc1F)CC(=O)N2 LS20430 [0,1,0,1,0,0|1,0,1]=4 140 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [0,1,0,1,0,0|1,0,1]=4 141 B12R2.606 c1cc2c(cc1I)CC(C2)N LS00117 [0,1,0,1,0,0|0,0,0]=2 142 B12R2.18 CC1Cc2ccccc2N1N LS20139 [0,1,0,1,0,0|0,0,0]=2 143 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O LS00046 [0,1,0,1,0,0|1,0,0]=3 144 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 LS40252 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.8 c1cc(sc1)CCN LS21113 [1,0,0,0,1,0|1,0,0]=3 146 B8R1.8 c1cc(sc1)CCO LS21112 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.8 c1cn(cn1)CCN LS20098 [1,0,0,0,1,0|2,0,0]=4 148 B12R1.252 C[C@@H](COCc1ccccc1)O LS30228 [0,0,0,0,0,2|1,0,0]=3 149 B12R1.252 C[C@H](COCc1ccccc1)O LS30229 [0,0,0,0,0,2|1,0,0]=3