0 B14R1.41 COc1cc(ccc1O)C(C(=O)O)O TS53972 [0,0,0,0,0,0|0,0,0]=0 1 B13R1.49 COc1cc(ccc1O)C(CO)O TS82469 [1,0,0,0,0,0|0,0,1]=2 2 B13R1.52 CC(=O)Cc1ccc(c(c1)OC)O TS47898 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.52 CC(=O)Nc1ccc(c(c1)OC)O TS14771 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.52 COc1cc(ccc1F)CC(=O)O TS59616 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.52 COc1cc(ccc1O)CC(=O)O TS60412 [1,0,0,0,0,0|0,0,0]=1 6 B13R1.510 C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N TS15130 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.510 c1cc(c(cc1C(=O)C(=O)O)O)O TS48192 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.510 c1cc(c(cc1C(C(=O)O)N)Cl)F TS19649 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.510 c1cc(c(cc1C(C(=O)O)N)O)O TS15106 [1,0,0,0,0,0|1,0,0]=2 10 B13R1.510 c1cc(c(cc1C(C(=O)O)O)F)F TS50661 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.510 c1cc(c(cc1C(C(=O)O)O)O)O TS48523 [1,0,0,0,0,0|0,0,0]=1 12 B13R1.510 c1cc(c(cc1[C@H](C(=O)O)N)O)O TS48401 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.642 COc1cccc(c1)C(C(=O)O)O TS48232 [1,0,0,0,0,0|0,0,0]=1 14 B15R1.872 c1cc(c(cc1C(C(=O)O)N)C(=O)O)O TS21097 [0,1,0,0,0,0|3,0,0]=4 15 B15R1.872 c1cc(c(cc1[C@@H](C(=O)O)N)C(=O)O)O TS21101 [0,1,0,0,0,0|3,0,0]=4 16 B15R2.4239 c1cc2c(cc1C(C(=N)N)O)OCO2 TS51796 [0,0,0,1,0,0|2,0,0]=3 17 B15R2.4239 c1cc2c(cc1C(C(=O)O)N)OCO2 TS51988 [0,0,0,1,0,0|1,0,0]=2 18 B15R2.4239 c1cc2c(cc1C(C(=O)O)O)OCO2 TS18183 [0,0,0,1,0,0|0,0,0]=1 19 B15R1.4037 COc1cc(ccc1O)C(CC(=O)O)N TS43986 [0,0,0,0,0,1|1,0,0]=2 20 B15R1.4038 COc1cc(ccc1O)CC(=O)C(=O)O TS20873 [0,0,0,0,0,1|0,0,2]=3 21 B15R1.4038 COc1cc(ccc1O)CC(C(=O)O)N TS43985 [0,0,0,0,0,1|1,0,0]=2 22 B15R1.4038 COc1cc(ccc1O)CC(C(=O)[O-])O TS56438 [0,0,0,0,0,1|0,0,1]=2 23 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O TS46468 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.56 B(c1ccc(c(c1)OC)Cl)(O)O TS85493 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O TS07663 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.56 CC(c1ccc(c(c1)OC)O)O TS44860 [2,0,0,0,0,0|0,0,1]=3 28 B12R1.56 COc1cc(ccc1Br)C(=O)O TS09583 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.56 COc1cc(ccc1Cl)C(=O)O TS09643 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.56 COc1cc(ccc1F)C(=O)O TS02814 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.56 COc1cc(ccc1N)C(=O)O TS70888 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.56 COc1cc(ccc1O)C(=O)O TS03113 [2,0,0,0,0,0|0,0,1]=3 33 B12R1.56 COc1cc(ccc1O)C(=O)[O-] TS17014 [2,0,0,0,0,0|0,0,2]=4 34 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS01094 [2,0,0,0,0,0|1,0,1]=4 35 B12R1.56 COc1cc(ccc1O)[N+](=O)[O-] TS17237 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.56 Cc1ccc(cc1OC)C(=O)O TS65093 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.286 CC=Cc1ccc(c(c1)OC)O TS11885 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.286 CCCc1ccc(c(c1)OC)O TS12255 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.286 COc1cc(ccc1O)C=NO TS43214 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.286 COc1cc(ccc1O)CC#N TS11709 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.286 COc1cc(ccc1O)CC=C TS11869 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.286 COc1cc(ccc1O)CCN TS22775 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.286 COc1cc(ccc1O)CCN TS22835 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.286 COc1cc(ccc1O)CCO TS03115 [2,0,0,0,0,0|0,0,1]=3 45 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS38882 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.367 c1cc(c(cc1C(CN)O)O)O TS45000 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O TS38881 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.435 COc1cccc(c1)C(CN)O TS38508 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O TS43219 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.19 Cc1cc(ncc1Cl)CC(=O)O TS15519 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.19 Cc1ccc(cc1F)CC(=O)O TS65518 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.19 c1cc(c(cc1CC(=O)N)O)O TS43207 [2,0,0,0,0,0|1,0,0]=3 53 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F TS09449 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O TS09452 [2,0,0,0,0,0|1,0,0]=3 55 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl TS07854 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F TS02687 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O TS15711 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl TS16086 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.19 c1cc(c(cc1CC(=O)O)F)F TS45416 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.19 c1cc(c(cc1CC(=O)O)F)O TS65509 [2,0,0,0,0,0|1,0,0]=3 61 B12R1.19 c1cc(c(cc1CC(=O)O)O)O TS44830 [2,0,0,0,0,0|0,0,0]=2 62 B12R1.438 CC(=O)Cc1cccc(c1)OC TS11855 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.438 CC(=O)Nc1cccc(c1)OC TS12011 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.438 CC(=O)Oc1cccc(c1)OC TS12201 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.438 COc1cccc(c1)CC(=N)N TS42767 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.438 COc1cccc(c1)CC(=O)Cl TS48662 [2,0,0,0,0,0|1,0,0]=3 67 B12R1.438 COc1cccc(c1)CC(=O)N TS42908 [2,0,0,0,0,0|1,0,0]=3 68 B12R1.438 COc1cccc(c1)CC(=O)O TS02823 [2,0,0,0,0,0|0,0,0]=2 69 B12R1.438 COc1cccc(c1)NC(=O)N TS12222 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.438 c1cc(cc(c1)C#N)CC(=O)O TS11383 [2,0,0,0,0,0|2,0,0]=4 71 B12R1.438 c1cc(cc(c1)CCl)CC(=O)O TS15375 [2,0,0,0,0,0|2,0,0]=4 72 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O TS15384 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.20 CC(c1ccc(cc1)O)C(=O)O TS43033 [2,0,0,0,0,0|1,0,0]=3 74 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N TS42892 [2,0,0,0,0,0|2,0,0]=4 75 B12R1.20 Cc1ccc(cc1)C(C)C(=O)O TS65000 [2,0,0,0,0,0|2,0,0]=4 76 B12R1.20 Cc1ccc(cc1)[C@H](C(=S)O)O TS54028 [2,0,0,0,0,0|1,1,0]=4 77 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl TS27946 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br TS65021 [2,0,0,0,0,0|2,0,0]=4 79 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl TS15524 [2,0,0,0,0,0|2,0,0]=4 80 B12R1.20 c1cc(ccc1C(C(=O)O)N)F TS03091 [2,0,0,0,0,0|2,0,0]=4 81 B12R1.20 c1cc(ccc1C(C(=O)O)N)I TS31200 [2,0,0,0,0,0|2,0,0]=4 82 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br TS53111 [2,0,0,0,0,0|1,0,0]=3 83 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS15716 [2,0,0,0,0,0|1,0,0]=3 84 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl TS93829 [2,0,0,0,0,0|1,0,0]=3 85 B12R1.20 c1cc(ccc1C(C(=O)O)O)F TS45083 [2,0,0,0,0,0|1,0,0]=3 86 B12R1.20 c1cc(ccc1C(C(=O)O)O)O TS44810 [2,0,0,0,0,0|0,0,0]=2 87 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl TS15516 [2,0,0,0,0,0|2,0,0]=4 88 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F TS00312 [2,0,0,0,0,0|2,0,0]=4 89 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)Cl TS15721 [2,0,0,0,0,0|1,0,0]=3 90 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)Cl TS22966 [2,0,0,0,0,0|2,0,0]=4 91 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F TS39566 [2,0,0,0,0,0|2,0,0]=4 92 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)I TS31196 [2,0,0,0,0,0|2,0,0]=4 93 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)N TS12219 [2,0,0,0,0,0|2,0,0]=4 94 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Br TS53116 [2,0,0,0,0,0|1,0,0]=3 95 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)Cl TS15710 [2,0,0,0,0,0|1,0,0]=3 96 B12R1.225 CC(c1cccc(c1)Br)C(=O)O TS47050 [2,0,0,0,0,0|2,0,0]=4 97 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O TS48658 [2,0,0,0,0,0|2,0,0]=4 98 B12R1.225 Cc1cccc(c1)C(C(=O)O)O TS43039 [2,0,0,0,0,0|0,0,0]=2 99 B12R1.225 Cc1cccc(n1)C(C(=O)O)N TS12217 [2,0,0,0,0,0|2,0,0]=4 100 B12R1.225 Cc1cccc(n1)C(C(=O)O)O TS43205 [2,0,0,0,0,0|1,0,0]=3 101 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)N TS24822 [2,0,0,0,0,0|2,0,0]=4 102 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)O TS53115 [2,0,0,0,0,0|1,0,0]=3 103 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)N TS33220 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O TS15708 [2,0,0,0,0,0|1,0,0]=3 105 B12R1.225 c1cc(cc(c1)Cl)[C@@H](C(=O)O)O TS15715 [2,0,0,0,0,0|1,0,0]=3 106 B12R1.225 c1cc(cc(c1)Cl)[C@H](C(=O)O)N TS15506 [2,0,0,0,0,0|2,0,0]=4 107 B12R1.225 c1cc(cc(c1)F)C(C(=O)O)N TS12657 [2,0,0,0,0,0|2,0,0]=4 108 B12R1.225 c1cc(cc(c1)F)[C@@H](C(=O)O)N TS12662 [2,0,0,0,0,0|2,0,0]=4 109 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)O TS44825 [2,0,0,0,0,0|0,0,0]=2 110 B12R1.225 c1cc(cc(c1)O)[C@H](C(=O)O)N TS43196 [2,0,0,0,0,0|1,0,0]=3 111 B14R1.343 COc1cc(cc(c1O)Br)CC(=O)O TS29623 [1,1,0,0,0,0|0,0,0]=2 112 B14R1.439 CCOc1cc(ccc1O)CC(=O)O TS18225 [1,1,0,0,0,0|0,0,0]=2 113 B14R1.705 c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O TS18411 [1,1,0,0,0,0|2,0,0]=4 114 B14R1.3405 COC(=O)Cc1ccc(c(c1)C=O)O TS51774 [1,1,0,0,0,0|2,0,0]=4 115 B14R1.3651 CC(=O)Cc1ccc(c(c1)OC)OC TS02558 [1,1,0,0,0,0|1,0,0]=3 116 B14R1.3651 COc1ccc(cc1OC)CC(=N)N TS51856 [1,1,0,0,0,0|2,0,0]=4 117 B14R1.3651 COc1ccc(cc1OC)CC(=O)Cl TS21779 [1,1,0,0,0,0|1,0,0]=3 118 B14R1.3651 COc1ccc(cc1OC)CC(=O)N TS52008 [1,1,0,0,0,0|1,0,0]=3 119 B14R1.3651 COc1ccc(cc1OC)CC(=O)O TS02557 [1,1,0,0,0,0|0,0,0]=2 120 B14R1.3651 COc1ccc(cc1OC)CC(=S)N TS00226 [1,1,0,0,0,0|1,1,0]=4 121 B14R1.3651 C[C@@H](Cc1ccc(c(c1)OC)OC)O TS18272 [1,1,0,0,0,0|1,0,1]=4 122 B14R1.3652 COc1ccc(cc1O)C(C(=O)O)O TS08984 [1,1,0,0,0,0|0,0,0]=2 123 B14R1.6038 c1c(c(cc(c1F)F)F)C(C(=O)O)O TS38933 [1,1,0,0,0,0|2,0,0]=4 124 B16R1.4273 COc1ccc(cc1OC)C(CC(=O)O)N TS52159 [0,1,0,0,0,1|1,0,0]=3 125 B16R1.4273 COc1ccc(cc1OC)[C@@H](CC(=O)O)N TS52167 [0,1,0,0,0,1|1,0,0]=3 126 B16R1.4273 COc1ccc(cc1OC)[C@H](CC(=O)O)N TS52162 [0,1,0,0,0,1|1,0,0]=3 127 B16R1.4274 COc1ccc(cc1OC)CC(=O)C(=O)O TS23803 [0,1,0,0,0,1|0,0,2]=4 128 B14R2.966 c1cc2c(cc1C(CN)O)OCO2 TS48084 [1,0,0,1,0,0|1,0,1]=4 129 B14R2.1008 CC(=O)Cc1ccc2c(c1)OCO2 TS47502 [1,0,0,1,0,0|1,0,0]=3 130 B14R2.1008 CC(=O)Nc1ccc2c(c1)OCO2 TS47694 [1,0,0,1,0,0|2,0,0]=4 131 B14R2.1008 c1cc2c(cc1CC(=O)Cl)OCO2 TS18731 [1,0,0,1,0,0|1,0,0]=3 132 B14R2.1008 c1cc2c(cc1CC(=O)O)CCO2 TS32884 [1,0,0,1,0,0|1,0,0]=3 133 B14R2.1008 c1cc2c(cc1CC(=O)O)OCO2 TS65736 [1,0,0,1,0,0|0,0,0]=2 134 B16R2.11587 c1cc2c(cc1C(CC(=O)O)N)OCO2 TS20716 [0,0,0,1,0,1|1,0,0]=3 135 B16R2.11587 c1cc2c(cc1[C@@H](CC(=O)O)N)OCO2 TS43603 [0,0,0,1,0,1|1,0,0]=3 136 B16R2.11587 c1cc2c(cc1[C@H](CC(=O)O)N)OCO2 TS43606 [0,0,0,1,0,1|1,0,0]=3 137 B14R1.42 CC(=O)C=Cc1ccc(c(c1)OC)O TS51444 [1,0,0,0,0,1|1,0,1]=4 138 B14R1.42 CC(=O)CCc1ccc(c(c1)OC)O TS51820 [1,0,0,0,0,1|1,0,0]=3 139 B14R1.42 COc1cc(ccc1F)C=CC(=O)O TS18207 [1,0,0,0,0,1|1,0,1]=4 140 B14R1.42 COc1cc(ccc1O)C=CC(=O)N TS17640 [1,0,0,0,0,1|1,0,1]=4 141 B14R1.42 COc1cc(ccc1O)C=CC(=O)O TS01734 [1,0,0,0,0,1|0,0,1]=3 142 B14R1.42 COc1cc(ccc1O)C=CC(=O)O TS54329 [1,0,0,0,0,1|0,0,1]=3 143 B14R1.42 COc1cc(ccc1O)C=CC(=O)[O-] TS44800 [1,0,0,0,0,1|0,0,2]=4 144 B14R1.42 COc1cc(ccc1O)C=CC(=O)[O-] TS81418 [1,0,0,0,0,1|0,0,2]=4 145 B14R1.42 COc1cc(ccc1O)CCC(=O)O TS18214 [1,0,0,0,0,1|0,0,0]=2 146 B14R1.42 Cc1ccc(cc1OC)CCC(=O)O TS51828 [1,0,0,0,0,1|1,0,0]=3 147 B14R1.74 COc1cccc(c1)C(CC(=O)O)N TS18067 [1,0,0,0,0,1|1,0,0]=3 148 B14R1.74 COc1cccc(c1)[C@@H](CC(=O)O)N TS18062 [1,0,0,0,0,1|1,0,0]=3 149 B14R1.75 COc1cccc(c1)CC(C(=O)O)N TS18070 [1,0,0,0,0,1|1,0,0]=3 150 B14R1.75 COc1cccc(c1)C[C@@H](C(=O)O)N TS52004 [1,0,0,0,0,1|1,0,0]=3