0 B12R1.286 COc1cc(ccc1O)CC=C A14332 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 COc1cc(ccc1O)\C=N\O L19667 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.286 C\C=C\c1ccc(c(c1)OC)O B24541 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.189 CNCc1cccc(c1)OC H54970 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.189 COc1cccc(c1)CC#N A14317 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 COc1cccc(c1)CCN H64494 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.189 COc1cccc(c1)N=C=O B24329 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.189 COc1cccc(c1)N=C=S A15090 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.192 c1cc(c(cc1CCN)O)O A11136 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.192 c1cc(c(cc1\C=N\O)O)O L17766 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.280 CCc1ccc(c(c1)OC)O A14239 [1,0,0,0,0,0|0,0,1]=2 11 B11R1.280 COc1cc(ccc1F)C#N L19895 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.280 COc1cc(ccc1F)C=O L19671 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.280 COc1cc(ccc1F)CO H31897 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 COc1cc(ccc1O)C#N A18056 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.280 COc1cc(ccc1O)C=C A13194 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.280 COc1cc(ccc1O)C=O A11169 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.280 COc1cc(ccc1O)CN B20637 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.280 COc1cc(ccc1O)CO A15160 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.280 COc1ccc(c(c1)OC)Br A14439 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.280 COc1ccc(c(c1)OC)F H63528 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.280 COc1ccc(c(c1)OC)I L19420 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.280 COc1ccc(c(c1)OC)N A13943 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.280 COc1ccc(c(c1)OC)[Mg+] H54816 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.49 COc1cc(ccc1O)C(=O)NN L00868 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.49 COc1cc(ccc1O)C(=O)OC B24209 [0,1,0,0,0,0|1,0,2]=4 26 B13R1.49 COc1cc(ccc1O)\C(=N\O)\N H52139 [0,1,0,0,0,0|2,0,1]=4 27 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O A19728 [0,1,0,0,0,0|0,0,1]=2 28 B13R1.52 COc1cc(ccc1O)CC(=O)O A12441 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.386 COc1ccc(cc1OC)CC#N A12003 [0,1,0,0,0,0|1,0,1]=3 30 B13R1.386 COc1ccc(cc1OC)CCO H26941 [0,1,0,0,0,0|1,0,1]=3 31 B13R1.386 COc1ccc(cc1OC)N=C=S B21415 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.575 COc1cc(ccc1O)\C=C\CO B24949 [0,1,0,0,0,0|0,0,2]=3 33 B13R1.1255 COc1c(ccc(c1F)CC#N)Cl H33939 [0,1,0,0,0,0|2,0,1]=4 34 B13R2.449 c1cc2c(cc1CC#N)OCO2 L09518 [0,0,0,1,0,0|1,0,1]=3 35 B13R2.449 c1cc2c(cc1CCN)OCO2 H60208 [0,0,0,1,0,0|1,0,1]=3 36 B13R2.449 c1cc2c(cc1CCN)OCO2 H63009 [0,0,0,1,0,0|1,0,1]=3 37 B13R2.449 c1cc2c(cc1CCN)OCO2 H66445 [0,0,0,1,0,0|1,0,1]=3 38 B13R2.449 c1cc2c(cc1\C=N\O)OCO2 L11952 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.10 CCCc1cccc(c1)O B21266 [2,0,0,0,0,0|0,0,2]=4 40 B10R1.10 Cc1cccc(c1)CC#N A10558 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.10 Cc1cccc(c1)CNC H63231 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.10 Cc1cccc(c1)NC=O B24061 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.172 CCc1cccc(c1)CC 43369 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.172 COc1cccc(c1)C#C H55254 [2,0,0,0,0,0|0,0,2]=4 45 B10R1.172 COc1cccc(c1)C#N B24171 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.172 COc1cccc(c1)C=O A13962 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.172 COc1cccc(c1)CCl A12630 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.172 COc1cccc(c1)CN L02054 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.172 COc1cccc(c1)CO A15471 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.172 COc1cccc(c1)C[Mg+] H54335 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.172 COc1cccc(c1)NN L08091 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.172 COc1cccc(c1)OC A13380 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.172 COc1cccc(n1)C=O H34432 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.1 CCCc1ccc(cc1)O A15342 [2,0,0,0,0,0|0,0,2]=4 55 B10R1.1 c1cc(ccc1CC#N)O A10971 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.1 c1cc(ccc1CCN)O A12220 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.1 c1cc(ccc1CCO)O A14891 [2,0,0,0,0,0|1,0,1]=4 58 B10R1.176 CCc1ccc(c(c1)O)O A12048 [2,0,0,0,0,0|0,0,1]=3 59 B10R1.176 Cc1cc(ccc1F)C=O B23526 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.176 Cc1cc(ccc1F)CBr H26681 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.176 Cc1cc(ccc1F)CN H26598 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.176 Cc1ccc(cc1C)C=O A15388 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.176 Cc1ccc(cc1C)CN H50280 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.176 Cc1ccc(cc1C)CO B24926 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.176 c1cc(c(cc1C#N)O)O A14783 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.176 c1cc(c(cc1C=O)Br)O B24729 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.176 c1cc(c(cc1C=O)Cl)O A17515 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.176 c1cc(c(cc1C=O)F)O L19325 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.176 c1cc(c(cc1CN)O)O B21833 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.176 c1cc(c(cc1CO)Br)O H32461 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.176 c1cc(c(cc1CO)O)Br H66253 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.30 COc1cc(ccc1Br)Cl B25512 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.30 COc1cc(ccc1Br)F H26325 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.30 COc1cc(ccc1Br)N B25541 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.30 COc1cc(ccc1Br)O H28116 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.30 COc1cc(ccc1Cl)Br H55533 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 COc1cc(ccc1Cl)Cl L13497 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.30 COc1cc(ccc1Cl)N H28331 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.30 COc1cc(ccc1F)Br H61892 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.30 COc1cc(ccc1F)F A14255 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.30 COc1cc(ccc1N)Br H61454 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.30 COc1cc(ccc1N)F H61965 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.30 COc1cc(ccc1O)Br L08801 [2,0,0,0,0,0|1,0,0]=3 85 B10R1.30 COc1cc(ccc1O)Cl A14806 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.30 COc1cc(ccc1O)F B22211 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.30 COc1cc(ccc1O)O A12847 [2,0,0,0,0,0|1,0,0]=3 88 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [2,0,0,0,0,0|1,0,0]=3 89 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [2,0,0,0,0,0|0,0,0]=2 91 B10R1.30 Cc1ccc(c(n1)OC)F H64683 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 Cc1ccc(c(n1)OC)N H61310 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.30 Cc1ccc(cc1OC)Br H30391 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.30 Cc1ccc(cc1OC)F B25629 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.30 Cc1ccc(cc1OC)N H50362 [2,0,0,0,0,0|2,0,0]=4 96 B12R1.280 C=CCc1cccc(c1O)C=O H53475 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.435 COc1cccc(c1)C(=O)C=O L20263 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.438 CC(=O)Cc1cccc(c1)OC B20916 [1,1,0,0,0,0|0,0,1]=3 99 B12R1.438 CN(C)Cc1cccc(c1)OC H55260 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.438 COc1cccc(c1)CC(=O)O A10951 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.438 COc1cccc(c1)CC(=S)N H31615 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.438 CSc1cccc(c1)CC(=O)O H27452 [1,1,0,0,0,0|1,1,0]=4 103 B12R1.19 Cc1cc(ccc1F)CC(=O)O H30525 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.19 Cc1ccc(cc1C)CC(=O)O H63178 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.19 c1cc(c(cc1CC(=O)O)F)O A12114 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.19 c1cc(c(cc1CC(=O)O)O)O A15893 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O L08087 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.56 CC(=O)c1ccc(c(c1)OC)F L19894 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.56 CC(=O)c1ccc(c(c1)OC)O A10439 [1,1,0,0,0,0|0,0,1]=3 110 B12R1.56 CC(c1ccc(c(c1)OC)F)O H32123 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.56 COc1cc(ccc1F)C(=O)O L19673 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.56 COc1cc(ccc1N)C(=O)O H28098 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.56 COc1cc(ccc1O)C(=O)O A12074 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.56 COc1cc(ccc1O)C(=S)N H52248 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.56 Cc1ccc(cc1OC)C(=O)O B22982 [1,1,0,0,0,0|2,0,0]=4 116 B12R1.78 COc1ccc(c(c1)OC)CO B24358 [1,1,0,0,0,0|1,0,1]=4 117 B12R1.78 COc1ccc(c(c1)OC)OC A10483 [1,1,0,0,0,0|1,0,1]=4 118 B12R1.78 COc1ccc(cc1OC)C#N A12521 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.78 COc1ccc(cc1OC)C=O A11110 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.78 COc1ccc(cc1OC)CN B25033 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.78 COc1ccc(cc1OC)CO A13396 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.300 COc1cc(cc(c1O)Br)C#N H50606 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.300 COc1cc(cc(c1O)Br)C=O A12861 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.300 COc1cc(cc(c1O)Cl)C=O B25554 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.300 COc1cc(cc(c1O)Cl)CO B25108 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.300 COc1cc(cc(c1O)F)C=O H66477 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.300 COc1cc(cc(c1O)I)C=O A15162 [1,1,0,0,0,0|1,0,0]=3 128 B12R1.654 COc1c(ccc(c1F)C=O)Cl H33274 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.654 COc1c(ccc(c1F)C=O)F H26597 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.654 COc1c(ccc(c1F)CBr)Cl H33076 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.654 COc1c(ccc(c1F)CBr)F H26625 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.654 COc1c(ccc(c1F)CN)Cl H33936 [1,1,0,0,0,0|2,0,0]=4 133 B12R1.654 COc1c(ccc(c1F)CN)F H26270 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.654 COc1c(ccc(c1F)CO)Cl H33848 [1,1,0,0,0,0|2,0,0]=4 135 B14R1.41 COc1cc(ccc1O)C(C(=O)O)O A13349 [0,2,0,0,0,0|1,0,0]=3 136 B14R1.1864 COc1ccc(cc1OC)C(=O)C=O L20279 [0,2,0,0,0,0|1,0,1]=4 137 B14R1.3651 CC(=O)Cc1ccc(c(c1)OC)OC L05477 [0,2,0,0,0,0|0,0,1]=3 138 B14R1.3651 COc1ccc(cc1OC)CC(=O)O B20625 [0,2,0,0,0,0|1,0,0]=3 139 B14R1.4106 COc1c(ccc(c1F)CC(=O)O)Cl H33418 [0,2,0,0,0,0|2,0,0]=4 140 B14R1.4106 COc1c(ccc(c1F)CC(=O)O)F H26759 [0,2,0,0,0,0|2,0,0]=4 141 B14R1.42 CC(=O)CCc1ccc(c(c1)OC)O B25150 [0,2,0,0,0,0|0,0,1]=3 142 B14R1.42 COc1cc(ccc1F)CCC(=O)O H33894 [0,2,0,0,0,0|1,0,1]=4 143 B14R1.42 COc1cc(ccc1O)CCC(=O)O A12069 [0,2,0,0,0,0|0,0,1]=3 144 B14R1.42 COc1cc(ccc1O)\C=C\C(=O)O A13890 [0,2,0,0,0,0|0,0,1]=3 145 B14R1.3236 COc1cc(cc(c1O)OC)CC=C B21981 [0,2,0,0,0,0|0,0,0]=2 146 B12R2.44 COc1ccc2c(c1)cc[nH]2 B25290 [1,0,0,1,0,0|1,0,1]=4 147 B12R2.44 COc1ccc2c(c1)nc[nH]2 B24313 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.44 COc1ccc2cc[nH]c2c1 L19074 [1,0,0,1,0,0|1,0,0]=3 149 B12R2.315 COc1cccc2c1[nH]cc2 H63767 [1,0,0,1,0,0|1,0,1]=4 150 B12R2.315 COc1cccc2c1cc[nH]2 L19069 [1,0,0,1,0,0|1,0,0]=3 151 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O H66709 [1,0,0,1,0,0|1,0,0]=3 152 B14R2.966 c1cc2c(cc1C(=O)C=O)OCO2 L20273 [0,1,0,1,0,0|1,0,1]=4 153 B14R2.1008 c1cc2c(cc1CC(=O)O)OCO2 A11229 [0,1,0,1,0,0|1,0,0]=3 154 B14R2.82 COc1cc2c(cc1OC)nc[nH]2 H25942 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.82 COc1cc2cc[nH]c2cc1OC B21126 [0,1,0,1,0,0|1,0,0]=3 156 B14R2.991 c1cc2c(cc1CN=C=S)OCO2 L10501 [0,1,0,1,0,0|1,0,1]=4