0 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 CNNc1ccccc1 LS10173 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.8 c1ccc(cc1)CCN LS10634 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.8 c1ccc(cc1)CCN LS10635 [1,0,0,0,0,0|1,0,1]=3 7 B9R1.8 c1ccc(cc1)CNO LS11836 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 c1ccc(cc1)CNO LS40338 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 c1ccc(cc1)CON LS40003 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 c1ccnc(c1)CC#N LS20875 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 c1cnccc1CCN LS21103 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,1,0,0,0,0|0,0,0]=1 21 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.36 CC(C)[C@H](c1ccccc1)O LS30202 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.36 CC(c1ccccc1)C(=O)O LS10633 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.36 C[C@H](c1ccccc1)C(=O)O LS30098 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.36 c1ccc(cc1)C(C(=O)O)O LS00073 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.157 CC(=O)Cc1cccc(c1)Br LS11254 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.157 CC(=O)Cc1cccc(c1)Cl LS11257 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.157 CC(=O)Nc1cccc(n1)N LS20129 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.509 CS(=O)(=O)Nc1ccccc1 LS40014 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.509 C[N+](C)(C)Cc1ccccc1 LS40342 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.509 C[N+](C)(C)Cc1ccccc1 LS41183 [0,1,0,0,0,0|3,0,0]=4 36 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,0,0,1,0,0|2,0,0]=3 37 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,0,0,1,0,0|0,0,0]=1 38 B11R2.10 c1ccc2c(c1)CC(C2)N LS40608 [0,0,0,1,0,0|2,0,1]=4 39 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,0,0,1,0,0|1,0,1]=3 40 B11R2.10 c1ccc2c(c1)[nH]c(n2)N LS11771 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.10 c1ccc2c(c1)[nH]c(n2)S LS21164 [0,0,0,1,0,0|2,1,0]=4 42 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,0,0,1,0,0|1,1,0]=3 43 B9R1.6 B(c1ccccc1)(O)O LS00011 [0,0,0,0,1,0|1,0,1]=3 44 B9R1.6 B(c1cccnc1)(O)O LS20190 [0,0,0,0,1,0|2,0,1]=4 45 B9R1.6 B(c1ccncc1)(O)O LS20393 [0,0,0,0,1,0|2,0,1]=4 46 B9R1.6 CC(=O)c1cccnc1 LS20960 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [0,0,0,0,1,0|2,0,1]=4 48 B9R1.6 C[C@H](c1ccccc1)N LS30099 [0,0,0,0,1,0|2,0,1]=4 49 B9R1.6 c1cc(cnc1)C(=S)N LS40686 [0,0,0,0,1,0|2,1,0]=4 50 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [0,0,0,0,1,0|2,0,0]=3 51 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [0,0,0,0,1,0|0,0,0]=1 52 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [0,0,0,0,1,0|1,1,0]=3 53 B9R1.6 c1ccnc(c1)C(=N)N LS21180 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.6 c1cnc(cn1)C(=O)O LS20078 [0,0,0,0,1,0|2,0,0]=3 55 B9R1.6 c1cnc(nc1)C(=O)O LS20267 [0,0,0,0,1,0|2,0,0]=3 56 B9R1.6 c1cncnc1C(=O)O LS20389 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.13 c1c(nc[nH]1)CC(=O)O LS20933 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.13 c1cc(oc1)CC(=O)O LS40055 [0,0,0,0,1,0|1,0,0]=2 59 B9R1.13 c1cc(sc1)CC(=O)Cl LS21114 [0,0,0,0,1,0|2,0,0]=3 60 B9R1.13 c1cc(sc1)CC(=O)O LS20649 [0,0,0,0,1,0|1,0,0]=2 61 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [0,0,0,0,0,1|1,0,1]=3 62 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,0,1|1,0,0]=2 63 B11R1.91 CC(CCc1ccccc1)N LS10632 [0,0,0,0,0,1|2,0,1]=4 64 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,0,0,0,0,1|1,0,1]=3 65 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,0,1|1,0,0]=2 66 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,0,0,0,0,1|2,0,0]=3 67 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,0,0,0,1|0,0,1]=2 68 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|0,0,2]=4 69 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 71 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,0]=2 72 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.2 c1cnccc1CN LS20857 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|0,0,1]=3 76 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,1,0,0,0,0|0,0,1]=3 82 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,1,0,0,0,0|0,0,1]=3 83 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,1,0,0,0,0|0,0,1]=3 84 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|0,0,1]=3 86 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|0,0,1]=3 89 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|0,0,1]=3 90 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,1,0,0,0,0|0,0,1]=3 92 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.10 c1cc(cc(c1)F)CC#N LS10556 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.15 CC(CN)c1ccccc1 LS10637 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.15 CC(CN)c1ccccc1 LS10638 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.15 CC[C@@H](c1ccccc1)N LS30125 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.15 CC[C@H](c1ccccc1)N LS30175 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.15 C[C@@H](CN)c1ccccc1 LS30174 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.15 C[C@H](CN)c1ccccc1 LS30173 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.15 c1ccc(cc1)C(=O)CO LS10613 [1,1,0,0,0,0|0,0,2]=4 103 B10R1.15 c1ccc(cc1)[C@@H](CO)N LS30212 [1,1,0,0,0,0|0,0,1]=3 104 B10R1.15 c1ccc(cc1)[C@@H](CO)O LS30263 [1,1,0,0,0,0|0,0,1]=3 105 B10R1.15 c1ccc(cc1)[C@H](CO)N LS30213 [1,1,0,0,0,0|0,0,1]=3 106 B10R1.15 c1ccc(cc1)[C@H](CO)O LS30264 [1,1,0,0,0,0|0,0,1]=3 107 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [1,1,0,0,0,0|0,0,1]=3 108 B10R1.17 c1ccc(cc1)CN=C=S LS11773 [1,1,0,0,0,0|0,1,1]=4 109 B10R1.17 c1ccc(cc1)C[Se]C#N LS11776 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.17 c1ccc(cc1)NCCN LS10740 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.13 B(c1ccc(cc1)Br)(O)O LS10182 [0,1,0,0,1,0|1,0,1]=4 112 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [0,1,0,0,1,0|1,0,1]=4 113 B10R1.13 B(c1ccc(cc1)Cl)(O)O LS00091 [0,1,0,0,1,0|1,0,1]=4 114 B10R1.13 B(c1ccc(cc1)F)(O)O LS00090 [0,1,0,0,1,0|1,0,1]=4 115 B10R1.13 B(c1ccc(cc1)I)(O)O LS10893 [0,1,0,0,1,0|1,0,1]=4 116 B10R1.13 B(c1ccc(cc1)N)(O)O LS10039 [0,1,0,0,1,0|1,0,1]=4 117 B10R1.13 B(c1ccc(cc1)O)(O)O LS10892 [0,1,0,0,1,0|1,0,1]=4 118 B10R1.13 B(c1ccc(cc1)S)(O)O LS00089 [0,1,0,0,1,0|1,0,1]=4 119 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,1,0,0,1,0|1,0,0]=3 120 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,1,0,0,1,0|1,0,0]=3 121 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,1,0,0,1,0|1,0,0]=3 122 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,1,0,0,1,0|1,0,0]=3 123 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [0,1,0,0,1,0|1,0,0]=3 126 B10R1.13 Cc1ncc(cn1)C(=O)O LS20220 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.13 c1c(cnc(n1)Cl)C(=O)O LS21033 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.13 c1c(cnc(n1)N)C(=O)O LS20168 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.13 c1c(ncc(n1)Cl)C(=O)O LS20205 [0,1,0,0,1,0|2,0,0]=4 130 B10R1.13 c1c(ncc(n1)O)C(=O)O LS20206 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,1,0,0,1,0|2,0,0]=4 132 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,1,0,0,1,0|1,0,0]=3 133 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,1,0,0,1,0|0,0,0]=2 134 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [0,1,0,0,1,0|1,0,1]=4 135 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [0,1,0,0,1,0|1,0,1]=4 136 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [0,1,0,0,1,0|1,0,0]=3 137 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [0,1,0,0,1,0|1,0,0]=3 138 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [0,1,0,0,1,0|1,0,0]=3 139 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [0,1,0,0,1,0|1,0,0]=3 140 B10R1.28 CC(C)(c1ccccc1)O LS11531 [0,1,0,0,1,0|1,0,1]=4 141 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl LS40262 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.28 c1ccc(cc1)S(=O)(=O)O LS10672 [0,1,0,0,1,0|1,0,0]=3 143 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] LS40553 [0,1,0,0,1,0|1,0,1]=4 144 B10R1.61 B(c1ccccc1Br)(O)O LS10792 [0,1,0,0,1,0|1,0,1]=4 145 B10R1.61 B(c1ccccc1C)(O)O LS10802 [0,1,0,0,1,0|1,0,1]=4 146 B10R1.61 B(c1ccccc1Cl)(O)O LS00151 [0,1,0,0,1,0|1,0,1]=4 147 B10R1.61 B(c1ccccc1F)(O)O LS10797 [0,1,0,0,1,0|1,0,1]=4 148 B10R1.61 B(c1ccccc1N)(O)O LS10787 [0,1,0,0,1,0|1,0,1]=4 149 B10R1.61 B(c1ccccc1O)(O)O LS10799 [0,1,0,0,1,0|1,0,1]=4 150 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,1,0,0,1,0|1,0,0]=3 151 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,1,0,0,1,0|1,0,0]=3 152 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,1,0,0,1,0|2,0,0]=4 153 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,1,0,0,1,0|1,0,1]=4 154 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [0,1,0,0,1,0|2,0,0]=4 155 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,1,0,0,1,0|1,0,0]=3 156 B10R1.61 Cc1c(cncn1)C(=O)O LS20826 [0,1,0,0,1,0|2,0,0]=4 157 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,1,0,0,1,0|0,0,0]=2 158 B10R1.61 Cc1cccnc1C(=O)O LS20983 [0,1,0,0,1,0|1,0,0]=3 159 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [0,1,0,0,1,0|1,0,0]=3 160 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [0,1,0,0,1,0|1,0,0]=3 161 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [0,1,0,0,1,0|1,0,0]=3 162 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [0,1,0,0,1,0|1,0,0]=3 163 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [0,1,0,0,1,0|1,0,0]=3 164 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [0,1,0,0,1,0|1,0,0]=3 165 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,1,0,0,1,0|1,0,0]=3 166 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,1,0,0,1,0|1,0,0]=3 167 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,1,0,0,1,0|0,0,0]=2 168 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,1,0,0,1,0|0,0,0]=2 169 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,1,0,0,1,0|0,0,0]=2 170 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [0,1,0,0,1,0|1,0,1]=4 171 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [0,1,0,0,1,0|1,0,1]=4 172 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [0,1,0,0,1,0|1,0,1]=4 173 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [0,1,0,0,1,0|1,0,0]=3 175 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [0,1,0,0,1,0|1,0,0]=3 176 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [0,1,0,0,1,0|1,0,0]=3 177 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [0,1,0,0,1,0|1,0,0]=3 178 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [0,1,0,0,1,0|1,0,0]=3 179 B10R1.113 B(c1cccc(c1)Br)(O)O LS10826 [0,1,0,0,1,0|1,0,1]=4 180 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [0,1,0,0,1,0|1,0,1]=4 181 B10R1.113 B(c1cccc(c1)Cl)(O)O LS00152 [0,1,0,0,1,0|1,0,1]=4 182 B10R1.113 B(c1cccc(c1)F)(O)O LS10837 [0,1,0,0,1,0|1,0,1]=4 183 B10R1.113 B(c1cccc(c1)N)(O)O LS10820 [0,1,0,0,1,0|1,0,1]=4 184 B10R1.113 B(c1cccc(c1)N)(O)O LS10821 [0,1,0,0,1,0|1,0,1]=4 185 B10R1.113 B(c1cccc(c1)N)(O)O LS11541 [0,1,0,0,1,0|1,0,1]=4 186 B10R1.113 B(c1cccc(c1)O)(O)O LS10839 [0,1,0,0,1,0|1,0,1]=4 187 B10R1.113 B(c1cccc(c1)S)(O)O LS10841 [0,1,0,0,1,0|1,0,1]=4 188 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [0,1,0,0,1,0|1,0,0]=3 189 B10R1.113 CC(=O)c1cccc(n1)Br LS20488 [0,1,0,0,1,0|2,0,0]=4 190 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [0,1,0,0,1,0|2,0,0]=4 191 B10R1.113 c1c(cncc1Br)C(=O)O LS20729 [0,1,0,0,1,0|1,0,0]=3 192 B10R1.113 c1c(cncc1Cl)C(=O)O LS20728 [0,1,0,0,1,0|1,0,0]=3 193 B10R1.113 c1c(cncc1N)C(=O)O LS20110 [0,1,0,0,1,0|1,0,0]=3 194 B10R1.113 c1c(cncc1O)C(=O)O LS20727 [0,1,0,0,1,0|1,0,0]=3 195 B10R1.113 c1c(nc(cn1)Cl)C(=O)O LS20459 [0,1,0,0,1,0|2,0,0]=4 196 B10R1.113 c1c(ncnc1O)C(=O)O LS20104 [0,1,0,0,1,0|2,0,0]=4 197 B10R1.113 c1cc(cc(c1)Br)C(=N)N LS10543 [0,1,0,0,1,0|2,0,0]=4 198 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [0,1,0,0,1,0|1,0,1]=4 199 B10R1.113 c1cc(nc(c1)Br)C(=O)O LS20438 [0,1,0,0,1,0|1,0,0]=3 200 B10R1.113 c1cc(nc(c1)Cl)C(=O)O LS20264 [0,1,0,0,1,0|1,0,0]=3 201 B10R1.113 c1cnc(cc1C(=O)O)Br LS20245 [0,1,0,0,1,0|1,0,0]=3 202 B10R1.113 c1cnc(cc1C(=O)O)Cl LS20583 [0,1,0,0,1,0|1,0,0]=3 203 B10R1.113 c1cnc(cc1C(=O)O)F LS20410 [0,1,0,0,1,0|1,0,0]=3 204 B10R1.113 c1cnc(cc1C(=O)O)N LS20627 [0,1,0,0,1,0|1,0,0]=3 205 B10R1.113 c1cnc(cc1C(=O)O)O LS20483 [0,1,0,0,1,0|1,0,0]=3 206 B10R1.113 c1cnc(cc1Cl)C(=O)N LS20263 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.113 c1cnc(nc1C(=O)O)Cl LS20776 [0,1,0,0,1,0|2,0,0]=4 208 B10R1.27 COC(=O)Cn1ccnc1 LS70037 [0,1,0,0,1,0|2,0,0]=4 209 B10R1.54 c1c(nc(s1)N)CC(=O)O LS40627 [0,1,0,0,1,0|2,0,0]=4 210 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,1,0,0,0,1|1,0,0]=3 211 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [0,1,0,0,0,1|0,0,1]=3 212 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,1,0,0,0,1|0,0,0]=2 213 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [0,1,0,0,0,1|0,0,0]=2 214 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,1,0,0,0,1|0,0,0]=2 215 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,1,0,0,0,1|0,0,0]=2 216 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,1,0,0,0,1|0,0,0]=2 217 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,1,0,0,0,1|0,0,0]=2 218 B12R1.4 CC(=O)Oc1ccc(cc1)C=C LS00144 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.4 CCc1ccc(cc1)CC(=O)C LS10066 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.4 COc1ccc(cc1)CC(=O)O LS11415 [0,2,0,0,0,0|0,0,0]=2 221 B12R1.4 c1cc(ccc1CC(=O)O)CBr LS11535 [0,2,0,0,0,0|0,0,0]=2 222 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl LS11794 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F LS10301 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl LS10023 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl LS11622 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O LS11529 [0,2,0,0,0,0|0,0,0]=2 227 B12R1.34 COC(=O)C(c1ccccc1)Br LS11730 [0,2,0,0,0,0|0,0,0]=2 228 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl LS30118 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.371 COC(=O)Cc1ccccc1O LS10128 [0,2,0,0,0,0|0,0,0]=2 230 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C LS10689 [0,2,0,0,0,0|0,0,0]=2 231 B12R1.224 Cc1cccc(c1C)CC(=O)O LS10465 [0,2,0,0,0,0|0,0,0]=2 232 B10R1.66 c1cc(sc1)\C=C\C(=O)O LS20822 [0,0,1,1,0,0|1,0,1]=4 233 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|1,0,0]=3 234 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,1,0,0|2,0,0]=4 235 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|1,0,1]=4 236 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,1,0,0|0,1,1]=4 237 B12R2.24 c1cc2c(nc1)NC(=O)CO2 LS40780 [0,0,0,1,0,1|2,0,0]=4 238 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,1,0,1|1,0,0]=3 239 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,1,0,1|1,0,0]=3 240 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 LS30254 [0,0,0,1,0,1|1,0,1]=4 241 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 LS00142 [0,0,0,1,0,1|1,0,1]=4 242 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl LS40092 [0,1,0,1,0,0|2,0,0]=4 243 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [0,1,0,1,0,0|1,0,0]=3 244 B12R2.606 c1cc2c(cc1F)CC(=O)N2 LS20430 [0,1,0,1,0,0|1,0,0]=3 245 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [0,1,0,1,0,0|1,0,0]=3 246 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 LS21014 [0,1,0,1,0,0|1,0,1]=4 247 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O LS00046 [0,1,0,1,0,0|1,0,1]=4 248 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 LS40252 [0,1,0,1,0,0|1,0,0]=3 249 B12R2.202 c1cnc2c(c1Br)CC(=O)N2 LS40860 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.8 c1cc(sc1)CCO LS21112 [1,0,0,0,1,0|1,0,1]=4 251 B8R1.7 CC(=O)c1cccs1 LS20643 [0,0,0,0,2,0|2,0,0]=4 252 B8R1.7 CC(=O)c1ccsc1 LS20391 [0,0,0,0,2,0|2,0,0]=4 253 B8R1.7 c1c(cn[nH]1)C(=O)O LS21130 [0,0,0,0,2,0|2,0,0]=4 254 B8R1.7 c1c(con1)C(=O)O LS20144 [0,0,0,0,2,0|2,0,0]=4 255 B8R1.7 c1c(nc[nH]1)C(=O)O LS20993 [0,0,0,0,2,0|2,0,0]=4 256 B8R1.7 c1c(nco1)C(=O)O LS41294 [0,0,0,0,2,0|2,0,0]=4 257 B8R1.7 c1c(ncs1)C(=O)O LS21061 [0,0,0,0,2,0|2,0,0]=4 258 B8R1.7 c1cc([nH]c1)C(=O)O LS20064 [0,0,0,0,2,0|1,0,0]=3 259 B8R1.7 c1cc(sc1)C(=O)Cl LS20650 [0,0,0,0,2,0|2,0,0]=4 260 B8R1.7 c1cc(sc1)C(=O)O LS20648 [0,0,0,0,2,0|1,0,0]=3 261 B8R1.7 c1cc(sc1)C(=O)[O-] LS21106 [0,0,0,0,2,0|1,0,1]=4 262 B8R1.7 c1cnc([nH]1)C(=O)O LS20563 [0,0,0,0,2,0|2,0,0]=4 263 B8R1.7 c1cnoc1C(=O)O LS20280 [0,0,0,0,2,0|2,0,0]=4 264 B8R1.7 c1conc1C(=O)O LS20146 [0,0,0,0,2,0|2,0,0]=4 265 B8R1.7 c1cscc1C(=O)Cl LS20651 [0,0,0,0,2,0|2,0,0]=4 266 B8R1.7 c1cscc1C(=O)O LS20647 [0,0,0,0,2,0|1,0,0]=3 267 B12R1.252 C[C@@H](COCc1ccccc1)O LS30228 [0,0,0,0,0,2|1,0,1]=4 268 B12R1.252 C[C@H](COCc1ccccc1)O LS30229 [0,0,0,0,0,2|1,0,1]=4 269 B12R1.252 c1ccc(cc1)CCCC(=O)O LS10686 [0,0,0,0,0,2|0,0,0]=2 270 B12R1.252 c1ccc(cc1)CNCC(=O)O LS40466 [0,0,0,0,0,2|0,0,0]=2 271 B12R1.252 c1ccc(cc1)COCC(=O)O LS10747 [0,0,0,0,0,2|0,0,0]=2