0 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N H63096 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.3 COc1ccc(cc1)C[C@H](C(=O)O)N H65872 [0,0,0,0,0,0|1,0,1]=2 2 B14R1.3 c1cc(ccc1C[C@@H](C(=O)O)N)C#N H63572 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.3 c1cc(ccc1C[C@H](C(=O)O)N)C#N H63687 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.3 CC(=O)CCc1ccc(cc1)OC A11011 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.3 CCc1ccc(cc1)OCC(=O)O L01102 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.3 COc1ccc(cc1)CCC(=O)Cl H50416 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.3 COc1ccc(cc1)CCC(=O)O A13655 [1,0,0,0,0,0|0,0,1]=2 8 B13R1.3 COc1ccc(cc1)OCC(=O)O A14419 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O A13870 [1,0,0,0,0,0|0,0,1]=2 10 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O H60144 [1,0,0,0,0,0|0,0,1]=2 11 B13R1.3 COc1ccc(cc1)\C=C\[N+](=O)[O-] A12745 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.3 CSc1ccc(cc1)CCC(=O)O H34101 [1,0,0,0,0,0|0,1,1]=3 13 B13R1.3 c1cc(ccc1CCC(=O)O)C#N H34297 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.3 c1cc(ccc1CCC(=O)O)C=O H33873 [1,0,0,0,0,0|2,0,1]=4 15 B13R1.5 COc1ccc(cc1)CC(=O)OC A17940 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.5 COc1ccc(cc1)C\C(=N\O)\N H66318 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N H26905 [1,0,0,0,0,0|1,0,1]=3 18 B13R1.133 Cc1ccc(cc1)C[C@H](C(=O)O)N H27518 [1,0,0,0,0,0|1,0,1]=3 19 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br L02833 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl A13323 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F L07585 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 c1cc(ccc1CC(C(=O)O)N)O A13740 [1,0,0,0,0,0|1,0,1]=3 23 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br H27233 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl H63573 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F L19934 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)I H51979 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N H51970 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O A11141 [1,0,0,0,0,0|1,0,1]=3 29 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br H62891 [1,0,0,0,0,0|2,0,1]=4 30 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl H51982 [1,0,0,0,0,0|2,0,1]=4 31 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F H59628 [1,0,0,0,0,0|2,0,1]=4 32 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)I H65907 [1,0,0,0,0,0|2,0,1]=4 33 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O A17709 [1,0,0,0,0,0|1,0,1]=3 34 B15R1.208 COc1ccc(cc1)\C=C(/C#N)\C(=O)O L05299 [0,1,0,0,0,0|1,0,1]=3 35 B15R1.495 c1cc(ccc1NC(=O)C(=O)O)[N+](=O)[O-] L00325 [0,1,0,0,0,0|3,0,0]=4 36 B15R1.1855 COc1ccc(c(c1)F)CC(C(=O)O)N H31729 [0,1,0,0,0,0|1,0,1]=3 37 B15R2.4834 CC(=O)c1cc2cc(ccc2o1)OC H52364 [0,0,0,1,0,0|3,0,0]=4 38 B15R2.4834 COc1ccc2c(c1)cc([nH]2)C(=O)O L15137 [0,0,0,1,0,0|2,0,0]=3 39 B15R2.4834 COc1ccc2cc([nH]c2c1)C(=O)O H66239 [0,0,0,1,0,0|1,0,1]=3 40 B13R1.36 CN(C)C(=O)c1ccc(cc1)OC H59675 [0,0,0,0,1,0|3,0,0]=4 41 B13R1.36 COc1ccc(cc1)C(C(=O)O)O L05795 [0,0,0,0,1,0|0,0,2]=3 42 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O A17605 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.21 Cc1ccc(cc1)CCC(=O)O A14513 [2,0,0,0,0,0|0,0,1]=3 45 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.21 Cc1ccc(cc1)OCC(=O)O A13230 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A13337 [2,0,0,0,0,0|0,0,1]=3 48 B12R1.21 c1cc(ccc1CCC(=O)O)Br H26785 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.21 c1cc(ccc1CCC(=O)O)Cl H50204 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.21 c1cc(ccc1CCC(=O)O)F L17008 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.21 c1cc(ccc1CCC(=O)O)N L19330 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.21 c1cc(ccc1CCC(=O)O)O A14567 [2,0,0,0,0,0|0,0,1]=3 53 B12R1.21 c1cc(ccc1NCC(=O)O)O A16843 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.21 c1cc(ccc1O)OCC(=O)O A12940 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A11503 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A15304 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A16707 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O A15167 [2,0,0,0,0,0|0,0,1]=3 59 B12R1.71 COc1ccc(cc1)\C=C\C=O A12839 [2,0,0,0,0,0|0,0,1]=3 60 B12R1.4 CC(=O)Cc1ccc(cc1)OC A13209 [2,0,0,0,0,0|0,0,1]=3 61 B12R1.4 CC(=O)Nc1ccc(cc1)OC A13253 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.4 CCc1ccc(cc1)CC(=O)C A18810 [2,0,0,0,0,0|1,0,1]=4 63 B12R1.4 COc1ccc(cc1)CC(=O)Cl L15256 [2,0,0,0,0,0|1,0,0]=3 64 B12R1.4 COc1ccc(cc1)CC(=O)N L05644 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.4 COc1ccc(cc1)CC(=O)O A14399 [2,0,0,0,0,0|0,0,0]=2 66 B12R1.4 COc1ccc(cc1)CC(=S)N H26742 [2,0,0,0,0,0|1,1,0]=4 67 B12R1.4 COc1ccc(cc1)NC(=O)N L01203 [2,0,0,0,0,0|2,0,0]=4 68 B12R1.4 CSc1ccc(cc1)CC(=O)O H26888 [2,0,0,0,0,0|0,1,0]=3 69 B12R1.4 c1cc(ccc1CC(=O)O)C#N H26062 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.4 c1cc(ccc1CC(=O)O)CBr H27744 [2,0,0,0,0,0|2,0,0]=4 71 B12R1.4 c1cc(ccc1CC(=O)O)CO H27531 [2,0,0,0,0,0|2,0,0]=4 72 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [2,0,0,0,0,0|2,0,0]=4 73 B12R1.49 Cc1ccc(cc1)C\C(=N\O)\N H66026 [2,0,0,0,0,0|2,0,0]=4 74 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [2,0,0,0,0,0|1,0,1]=4 75 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [2,0,0,0,0,0|0,0,1]=3 76 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [2,0,0,0,0,0|0,0,1]=3 77 B12R1.43 c1ccc(cc1)CC(C(=O)O)N A10132 [2,0,0,0,0,0|1,0,1]=4 78 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [2,0,0,0,0,0|0,0,2]=4 79 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N A13238 [2,0,0,0,0,0|1,0,1]=4 80 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [2,0,0,0,0,0|0,0,2]=4 81 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N A10572 [2,0,0,0,0,0|1,0,1]=4 82 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [2,0,0,0,0,0|0,0,2]=4 83 B14R1.2 COc1ccc(cc1)C(CC(=O)O)N H60219 [1,1,0,0,0,0|0,0,1]=3 84 B14R1.5 COc1ccc(cc1)COC(=O)NN L00541 [1,1,0,0,0,0|2,0,0]=4 85 B14R1.142 CCOc1ccc(cc1)CCC(=O)O H50214 [1,1,0,0,0,0|0,0,1]=3 86 B14R1.142 CCOc1ccc(cc1)\C=C\C(=O)O L06324 [1,1,0,0,0,0|0,0,1]=3 87 B14R1.419 CC(C)c1ccc(cc1)\C=C\C(=O)O A15156 [1,1,0,0,0,0|1,0,1]=4 88 B14R1.419 CN(C)c1ccc(cc1)\C=C\C(=O)O B21549 [1,1,0,0,0,0|1,0,1]=4 89 B14R1.3653 COc1ccc(cc1Br)CCC(=O)O H33042 [1,1,0,0,0,0|0,0,1]=3 90 B14R1.3653 COc1ccc(cc1O)\C=C\C(=O)O A10482 [1,1,0,0,0,0|0,0,1]=3 91 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)O)N H63630 [1,1,0,0,0,0|1,0,1]=4 92 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)O)N B22683 [1,1,0,0,0,0|1,0,1]=4 93 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)O)N H62069 [1,1,0,0,0,0|1,0,1]=4 94 B14R1.686 Cc1ccc(cc1F)CC(C(=O)O)N H32194 [1,1,0,0,0,0|1,0,1]=4 95 B14R1.686 c1cc(c(cc1CC(C(=O)O)N)F)O L01479 [1,1,0,0,0,0|1,0,1]=4 96 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O L07675 [1,1,0,0,0,0|1,0,1]=4 97 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)O L16775 [1,1,0,0,0,0|1,0,1]=4 98 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)I)O H63789 [1,1,0,0,0,0|1,0,1]=4 99 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O 41535 [1,1,0,0,0,0|1,0,1]=4 100 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O A11311 [1,1,0,0,0,0|1,0,1]=4 101 B16R1.213 CC(CC(=O)c1ccc(cc1)OC)C(=O)O H52802 [0,1,0,0,0,1|1,0,1]=4 102 B16R1.20118 COc1ccc(c(c1F)F)CC(C(=O)O)N H32811 [0,2,0,0,0,0|1,0,1]=4 103 B16R1.4274 COc1ccc(cc1OC)C[C@@H](C(=O)O)N H53368 [0,2,0,0,0,0|1,0,1]=4 104 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 B22432 [1,0,0,1,0,0|1,0,1]=4 105 B14R2.134 COc1ccc2ccc(=O)oc2c1 A15441 [1,0,0,1,0,0|0,0,1]=3 106 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 L11007 [1,0,0,1,0,0|1,0,1]=4 107 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 B22742 [1,0,0,1,0,0|1,0,0]=3 108 B14R2.4529 Cc1ccc2c(c1)cc([nH]2)C(=O)O L17145 [1,0,0,1,0,0|2,0,0]=4 109 B14R2.4529 c1cc2c(cc1O)cc([nH]2)C(=O)O L00786 [1,0,0,1,0,0|2,0,0]=4 110 B16R2.7604 COc1ccc2cc([nH]c2c1)C(=O)OC H66528 [0,1,0,1,0,0|1,0,1]=4 111 B16R2.6257 CC(Cc1ccc2c(c1)OCO2)C(=O)O H27924 [0,1,0,1,0,0|1,0,1]=4 112 B16R2.7486 COc1ccc2cc(ccc2c1)C(=O)O L14610 [0,1,0,1,0,0|1,0,1]=4 113 B12R1.5 CCC(=O)c1ccc(cc1)OC A14619 [1,0,0,0,1,0|1,0,1]=4 114 B12R1.5 COc1ccc(cc1)C(=O)C=O L20274 [1,0,0,0,1,0|0,0,0]=2 115 B12R1.5 COc1ccc(cc1)C(=O)CBr A13415 [1,0,0,0,1,0|1,0,1]=4 116 B12R1.5 COc1ccc(cc1)C(=O)CN H66966 [1,0,0,0,1,0|1,0,1]=4 117 B12R1.5 COc1ccc(cc1)C(=O)NN A13015 [1,0,0,0,1,0|2,0,0]=4 118 B12R1.5 COc1ccc(cc1)C(=O)OC A12598 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.5 COc1ccc(cc1)\C(=N\O)\N H52141 [1,0,0,0,1,0|2,0,0]=4 120 B12R1.20 CC(c1ccc(cc1)O)C(=O)O B24938 [1,0,0,0,1,0|1,0,1]=4 121 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)O H25953 [1,0,0,0,1,0|0,0,2]=4 122 B12R1.20 c1cc(ccc1C(C(=O)O)O)O L05916 [1,0,0,0,1,0|0,0,2]=4 123 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O L07190 [1,0,0,0,1,0|1,0,1]=4 124 B14R1.4 COc1ccc(cc1)CCCC(=O)O H60613 [1,0,0,0,0,1|0,0,1]=3 125 B16R1.5 COc1ccc(cc1)CSC[C@@H](C(=O)O)N H63894 [0,0,0,0,0,2|1,0,1]=4