0 B12R1.270 CCOc1cc(ccc1O)C=O A19478 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.182 CCNc1cc(ccc1C)O L12768 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.182 CCOc1cc(ccc1Br)N B24827 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.182 CCOc1cc(ccc1O)C L08898 [1,0,0,0,0,0|0,0,1]=2 4 B11R1.189 CCOc1cccc(c1)C#N A13908 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 CCOc1cccc(c1)C=O A18940 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.280 CCc1cc(ccc1N)C#N L10732 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.280 CCc1ccc(c(c1)OC)O A14239 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.280 COc1cc(ccc1F)C#N L19895 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COc1cc(ccc1F)C=O L19671 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.280 COc1cc(ccc1F)CO H31897 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.280 COc1cc(ccc1O)C#N A18056 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.280 COc1cc(ccc1O)C=C A13194 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.280 COc1cc(ccc1O)C=O A11169 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.280 COc1cc(ccc1O)CN B20637 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.280 COc1cc(ccc1O)CO A15160 [1,0,0,0,0,0|0,0,2]=3 16 B11R1.280 COc1ccc(c(c1)OC)Br A14439 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.280 COc1ccc(c(c1)OC)F H63528 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.280 COc1ccc(c(c1)OC)I L19420 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.280 COc1ccc(c(c1)OC)N A13943 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.280 COc1ccc(c(c1)OC)[Mg+] H54816 [1,0,0,0,0,0|3,0,0]=4 21 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] H33669 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.354 c1cc(c(cc1C(=O)O)NC=O)O H31844 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.355 CCOc1cc(ccc1OC)C=O B24762 [0,1,0,0,0,0|0,0,0]=1 24 B13R1.2900 CCOc1cc(c(cc1O)Br)C#N H50610 [0,1,0,0,0,0|1,0,1]=3 25 B13R1.3981 CCOc1cc(cc(c1O)Br)C#N H50607 [0,1,0,0,0,0|1,0,1]=3 26 B13R1.3981 CCOc1cc(cc(c1O)Br)C=O A19925 [0,1,0,0,0,0|0,0,0]=1 27 B13R1.4021 CCOc1c(ccc(c1F)C#N)Cl H34185 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.4021 CCOc1c(ccc(c1F)C#N)F H32076 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.4021 CCOc1c(ccc(c1F)C=O)Cl H33381 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.4021 CCOc1c(ccc(c1F)C=O)F H32631 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.4021 CCOc1c(ccc(c1F)CBr)Cl H34005 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.4021 CCOc1c(ccc(c1F)CBr)F H32466 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.4021 CCOc1c(ccc(c1F)CN)Cl H33498 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.4021 CCOc1c(ccc(c1F)CN)F H32512 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.4021 CCOc1c(ccc(c1F)CO)Cl H33963 [0,1,0,0,0,0|1,0,2]=4 36 B13R1.4021 CCOc1c(ccc(c1F)CO)F H32558 [0,1,0,0,0,0|1,0,2]=4 37 B13R2.57 c1cc2c(cc1C=O)OCCO2 A18696 [0,0,0,1,0,0|0,0,0]=1 38 B10R1.4 CCCc1ccccc1O A11088 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.4 CCNc1ccccc1C A11315 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.4 CCOc1c(cccn1)Br H27690 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.4 CCOc1c(cccn1)I H50100 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.4 CCOc1ccccc1O B24755 [2,0,0,0,0,0|0,0,0]=2 43 B10R1.10 CCCc1cccc(c1)O B21266 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.10 CCOc1cccc(c1)Br B21418 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.10 CCOc1cccc(c1)O B24266 [2,0,0,0,0,0|0,0,1]=3 46 B10R1.10 CCOc1cccc(n1)Cl B24984 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.30 CCc1cc(ccc1Br)Br B25446 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.30 CCc1cc(ccc1Cl)Br B25613 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 CCc1cc(ccc1I)Br B20052 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.30 CCc1cc(ccc1N)Br A13077 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.30 CCc1cc(ccc1N)Br L12725 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COc1cc(ccc1Br)Cl B25512 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 COc1cc(ccc1Br)F H26325 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.30 COc1cc(ccc1Br)N B25541 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.30 COc1cc(ccc1Br)O H28116 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.30 COc1cc(ccc1Cl)Br H55533 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.30 COc1cc(ccc1Cl)Cl L13497 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.30 COc1cc(ccc1Cl)N H28331 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.30 COc1cc(ccc1F)Br H61892 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.30 COc1cc(ccc1F)F A14255 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.30 COc1cc(ccc1N)Br H61454 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.30 COc1cc(ccc1N)F H61965 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.30 COc1cc(ccc1O)Br L08801 [2,0,0,0,0,0|1,0,0]=3 64 B10R1.30 COc1cc(ccc1O)Cl A14806 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.30 COc1cc(ccc1O)F B22211 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.30 COc1cc(ccc1O)O A12847 [2,0,0,0,0,0|0,0,1]=3 67 B10R1.30 Cc1ccc(c(c1)OC)C B20456 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.30 Cc1ccc(c(c1)OC)F L18182 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.30 Cc1ccc(c(c1)OC)O A13603 [2,0,0,0,0,0|0,0,1]=3 70 B10R1.30 Cc1ccc(cc1OC)Br H30391 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.30 Cc1ccc(cc1OC)F B25629 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.30 Cc1ccc(cc1OC)N H50362 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.30 c1cc(c(cc1Br)CO)O A12344 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.30 c1cc(c(cc1Cl)CO)O H32533 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.172 CCc1cccc(c1)CC 43369 [2,0,0,0,0,0|1,0,1]=4 76 B10R1.172 COc1cccc(c1)C#C H55254 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.172 COc1cccc(c1)C#N B24171 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.172 COc1cccc(c1)C=O A13962 [2,0,0,0,0,0|0,0,0]=2 79 B10R1.172 COc1cccc(c1)CCl A12630 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.172 COc1cccc(c1)CN L02054 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.172 COc1cccc(c1)CO A15471 [2,0,0,0,0,0|0,0,2]=4 82 B10R1.172 COc1cccc(c1)C[Mg+] H54335 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.172 COc1cccc(c1)NN L08091 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.172 COc1cccc(c1)OC A13380 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.172 COc1cccc(n1)C=O H34432 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.172 c1cc(cc(c1)C#N)C=O A15943 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.172 c1cc(cc(c1)C=O)C=O A15788 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.176 CCc1ccc(c(c1)O)O A12048 [2,0,0,0,0,0|1,0,1]=4 89 B10R1.176 Cc1cc(ccc1F)C=O B23526 [2,0,0,0,0,0|1,0,0]=3 90 B10R1.176 Cc1ccc(cc1C)C=O A15388 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.176 Cc1ccc(cc1F)C=O B23736 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.176 c1cc(c(cc1C#N)O)O A14783 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.176 c1cc(c(cc1C=O)Br)Br L13762 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.176 c1cc(c(cc1C=O)Br)F A15198 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.176 c1cc(c(cc1C=O)Br)O B24729 [2,0,0,0,0,0|1,0,0]=3 96 B10R1.176 c1cc(c(cc1C=O)Cl)Cl B24706 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.176 c1cc(c(cc1C=O)Cl)F A19923 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.176 c1cc(c(cc1C=O)Cl)O A17515 [2,0,0,0,0,0|1,0,0]=3 99 B10R1.176 c1cc(c(cc1C=O)F)Br H57833 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.176 c1cc(c(cc1C=O)F)Cl 41365 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.176 c1cc(c(cc1C=O)F)F A14028 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.176 c1cc(c(cc1C=O)F)O L19325 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.176 c1cc(c(cc1C=O)I)F H33615 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [2,0,0,0,0,0|0,0,0]=2 105 B10R1.176 c1cc(c(cc1CN)O)O B21833 [2,0,0,0,0,0|1,0,1]=4 106 B12R1.354 CCC(=O)c1cc(ccc1O)O A12912 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.374 COCOc1cc(ccc1F)F H32630 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.497 CCOc1c(ccc(c1F)N)Cl H33541 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.497 CCOc1c(ccc(c1F)N)F H31965 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.497 CCOc1c(ccc(c1F)O)F H32360 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.278 CCOc1cccc(c1)OCC A11338 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.279 B(c1cccc(c1)OCC)(O)O B24485 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.279 CCOc1cccc(c1)C(=O)Cl H50227 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.279 CCOc1cccc(c1)C(=O)N L05616 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.279 CCOc1cccc(c1)C(=O)O L05721 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.279 CCOc1cccc(c1)C(=S)N H52227 [1,1,0,0,0,0|0,1,0]=3 117 B12R1.280 CCOc1cccc(c1O)C=O B20702 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.382 CCCOc1cccc(c1)C=O H33115 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.438 CC(=O)Oc1cccc(c1)C=O L13431 [1,1,0,0,0,0|0,0,1]=3 120 B12R1.438 c1cc(cc(c1)OC(F)F)C=O H26580 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.56 CC(=O)c1ccc(c(c1)OC)F L19894 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.56 CC(=O)c1ccc(c(c1)OC)O A10439 [1,1,0,0,0,0|0,0,0]=2 123 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] B25331 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.56 COc1cc(ccc1F)C(=O)O L19673 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.56 COc1cc(ccc1N)C(=O)O H28098 [1,1,0,0,0,0|1,0,0]=3 126 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] B24220 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.56 COc1cc(ccc1O)C(=O)O A12074 [1,1,0,0,0,0|0,0,0]=2 128 B12R1.56 COc1cc(ccc1O)C(=S)N H52248 [1,1,0,0,0,0|0,1,0]=3 129 B12R1.56 Cc1ccc(cc1OC)C(=O)O B22982 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.78 COc1ccc(c(c1)OC)CO B24358 [1,1,0,0,0,0|2,0,0]=4 131 B12R1.78 COc1ccc(c(c1)OC)OC A10483 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.78 COc1ccc(cc1OC)C#N A12521 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.78 COc1ccc(cc1OC)C=O A11110 [1,1,0,0,0,0|0,0,0]=2 134 B12R1.78 COc1ccc(cc1OC)CN B25033 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.78 COc1ccc(cc1OC)CO A13396 [1,1,0,0,0,0|0,0,2]=4 136 B12R1.300 COc1cc(cc(c1O)Br)C#N H50606 [1,1,0,0,0,0|1,0,1]=4 137 B12R1.300 COc1cc(cc(c1O)Br)C=O A12861 [1,1,0,0,0,0|0,0,0]=2 138 B12R1.300 COc1cc(cc(c1O)Cl)C=O B25554 [1,1,0,0,0,0|0,0,0]=2 139 B12R1.300 COc1cc(cc(c1O)Cl)CO B25108 [1,1,0,0,0,0|0,0,2]=4 140 B12R1.300 COc1cc(cc(c1O)F)C=O H66477 [1,1,0,0,0,0|0,0,0]=2 141 B12R1.300 COc1cc(cc(c1O)I)C=O A15162 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.453 c1cc(c(cc1C=O)[N+](=O)[O-])O A17972 [1,1,0,0,0,0|2,0,0]=4 143 B12R1.654 COc1c(ccc(c1F)C=O)Cl H33274 [1,1,0,0,0,0|1,0,0]=3 144 B12R1.654 COc1c(ccc(c1F)C=O)F H26597 [1,1,0,0,0,0|1,0,0]=3 145 B14R1.2336 c1cc(c(cc1C=O)OC(F)(F)F)Cl H26255 [0,2,0,0,0,0|2,0,0]=4 146 B14R1.2336 c1cc(c(cc1C=O)OC(F)(F)F)F H26256 [0,2,0,0,0,0|2,0,0]=4 147 B14R1.2336 c1cc(c(cc1C=O)OC(F)(F)F)O H32602 [0,2,0,0,0,0|1,0,0]=3 148 B14R1.441 CCOc1cc(ccc1OC)C(=O)O B20489 [0,2,0,0,0,0|0,0,0]=2 149 B14R1.706 CC(=O)c1ccc(c(c1)C(=O)OC)O A10215 [0,2,0,0,0,0|2,0,0]=4 150 B14R1.5389 CCOc1c(ccc(c1F)C(=O)C)F H31869 [0,2,0,0,0,0|1,0,0]=3 151 B14R1.5389 CCOc1c(ccc(c1F)C(=O)Cl)Cl H33199 [0,2,0,0,0,0|1,0,0]=3 152 B14R1.5389 CCOc1c(ccc(c1F)C(=O)Cl)F H32341 [0,2,0,0,0,0|1,0,0]=3 153 B14R1.5389 CCOc1c(ccc(c1F)C(=O)N)Cl H34189 [0,2,0,0,0,0|1,0,0]=3 154 B14R1.5389 CCOc1c(ccc(c1F)C(=O)N)F H32715 [0,2,0,0,0,0|1,0,0]=3 155 B14R1.5389 CCOc1c(ccc(c1F)C(=O)O)Cl H33868 [0,2,0,0,0,0|1,0,0]=3 156 B14R1.5389 CCOc1c(ccc(c1F)C(=O)O)F H31812 [0,2,0,0,0,0|1,0,0]=3 157 B14R1.5317 CCOc1cc(cc(c1OC)Br)C#N H50616 [0,2,0,0,0,0|1,0,1]=4 158 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N H50622 [0,2,0,0,0,0|1,0,1]=4 159 B12R2.24 c1cc2c(cc1Br)NCCO2 H61070 [1,0,0,1,0,0|2,0,0]=4 160 B12R2.24 c1cc2c(cc1Br)NCCO2 H62297 [1,0,0,1,0,0|2,0,0]=4 161 B12R2.24 c1cc2c(cc1Br)OCCN2 H61071 [1,0,0,1,0,0|2,0,0]=4 162 B12R2.24 c1cc2c(cc1Br)OCCO2 B25625 [1,0,0,1,0,0|1,0,0]=3 163 B12R2.24 c1cc2c(cc1I)OCCO2 B20127 [1,0,0,1,0,0|1,0,0]=3 164 B12R2.24 c1cc2c(cc1N)OCCO2 L01421 [1,0,0,1,0,0|1,0,0]=3 165 B12R2.221 Cc1ccc(c2c1CCC2)O B20343 [1,0,0,1,0,0|1,0,1]=4 166 B12R2.44 c1cc2c(cc1C=O)CCO2 H59602 [1,0,0,1,0,0|2,0,0]=4 167 B12R2.44 c1cc2c(cc1C=O)OCO2 A14072 [1,0,0,1,0,0|1,0,0]=3 168 B14R2.3303 c1cc2c(cc1C=O)OC(O2)(F)F B24232 [0,1,0,1,0,0|1,0,0]=3 169 B14R2.781 B(c1ccc2c(c1)OCCO2)(O)O L20296 [0,1,0,1,0,0|1,0,1]=4 170 B14R2.781 CC(=O)c1ccc2c(c1)CCCC2 A14666 [0,1,0,1,0,0|2,0,0]=4 171 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 A15506 [0,1,0,1,0,0|0,0,0]=2 172 B14R2.781 c1cc2c(cc1C(=O)O)OCCO2 H66992 [0,1,0,1,0,0|0,0,0]=2 173 B14R2.781 c1cc2c(cc1C(F)F)OCCO2 H33165 [0,1,0,1,0,0|1,0,1]=4 174 B14R2.781 c1cc2c(cc1[N+](=O)[O-])NCCO2 H33900 [0,1,0,1,0,0|2,0,0]=4 175 B14R2.781 c1cc2c(cc1[N+](=O)[O-])OCCN2 H61032 [0,1,0,1,0,0|2,0,0]=4 176 B14R2.2400 c1cc2c(cc1C=O)OCCCO2 H32167 [0,1,0,1,0,0|0,0,0]=2