0 B14R1.686 N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O T5280 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.686 N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O T5568 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O T0848 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.686 N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O T6569 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.686 O=C(O)[C@H](O)Cc1ccc(O)c(O)c1 T3227 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.686 O=C([O-])C(O)Cc1ccc(O)c(O)c1 T2944 [0,0,0,0,0,0|1,0,1]=2 6 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O T1447 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [1,0,0,0,0,0|0,0,0]=1 8 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O TN1596 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(=O)O TN1545 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 T4858 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.133 O=C(O)C(O)Cc1ccc(O)cc1 TQ0284 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.511 CC(=O)\C=C\c1ccc(O)c(O)c1 T5728 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [1,0,0,0,0,0|0,0,0]=1 14 B13R1.511 O=C(O)\C=C\c1ccc(O)c(O)c1 T2807 [1,0,0,0,0,0|0,0,2]=3 15 B15R1.676 N#C\C(=C/c1ccc(O)c(O)c1)C(=O)O T7101 [0,1,0,0,0,0|0,0,3]=4 16 B15R1.890 N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1 T2547 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.4038 COC1=CC(CC(=O)C(=O)O)=CC=C1O T19600 [0,1,0,0,0,0|1,0,1]=3 18 B15R1.5521 COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T7654 [0,1,0,0,0,0|0,0,0]=1 19 B15R1.11316 C[C@](N)(CC1=CC(O)=C(O)C=C1)C(=O)O T15701 [0,1,0,0,0,0|0,0,0]=1 20 B15R1.11316 C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O T0505 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.11316 C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O T5954 [0,1,0,0,0,0|0,0,0]=1 22 B15R1.28955 N[C@@H](Cc1cc(I)c(O)c(I)c1)C(=O)O T2760 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.510 O=C(O)C(O)C1=CC=C(O)C(O)=C1 TQ0135 [0,0,0,0,1,0|1,0,0]=2 24 B13R1.510 O=C(O)C(O)c1ccc(O)c(O)c1 T5229 [0,0,0,0,1,0|1,0,0]=2 25 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [2,0,0,0,0,0|0,0,0]=2 27 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [2,0,0,0,0,0|0,0,2]=4 28 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [2,0,0,0,0,0|0,0,2]=4 29 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [2,0,0,0,0,0|0,0,0]=2 30 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [2,0,0,0,0,0|0,0,0]=2 31 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [2,0,0,0,0,0|0,0,0]=2 32 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.226 O=C(O)CCc1cccc(O)c1 T7437 [2,0,0,0,0,0|0,0,0]=2 37 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [2,0,0,0,0,0|0,0,2]=4 38 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [2,0,0,0,0,0|1,0,1]=4 39 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 T2215 [1,1,0,0,0,0|0,0,2]=4 40 B14R1.42 COc1cc(CCC(=O)O)ccc1O T0558 [1,1,0,0,0,0|0,0,0]=2 41 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [1,1,0,0,0,0|1,0,0]=3 42 B14R1.42 COc1cc(\C=C\C(=O)O)ccc1O T5679 [1,1,0,0,0,0|0,0,2]=4 43 B14R1.833 COC(=O)\C=C\c1ccc(O)c(O)c1 TN1926 [1,1,0,0,0,0|0,0,2]=4 44 B14R1.3653 COc1ccc(\C=C\C(=O)O)cc1O T2889 [1,1,0,0,0,0|0,0,2]=4 45 B14R1.41 COc1cc(C(O)C(=O)O)ccc1O T0611 [0,1,0,0,1,0|1,0,0]=3 46 B16R1.94545 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O T2148 [0,2,0,0,0,0|0,0,0]=2 47 B16R1.94545 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O T6795 [0,2,0,0,0,0|0,0,0]=2 48 B16R1.1058 N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O T4890 [0,2,0,0,0,0|0,0,1]=3 49 B16R1.4970 CCOC(=O)[C@@H](N)CC1=CC=C(O)C(O)=C1 T15255 [0,2,0,0,0,0|0,0,0]=2 50 B14R2.4513 O=c1ccc2ccc(O)c(O)c2o1 T2851 [1,0,0,1,0,0|0,0,2]=4 51 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 T21102 [1,0,0,0,1,0|1,0,0]=3 52 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 T4785 [1,0,0,0,1,0|0,0,0]=2 53 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 T5263 [1,0,0,0,1,0|1,0,0]=3 54 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(O)=C1 T23259 [1,0,0,0,1,0|0,0,0]=2 55 B12R1.225 O=C(O)C(O)c1cccc(O)c1 T7634 [1,0,0,0,1,0|1,0,0]=3 56 B12R1.367 OCC(O)c1ccc(O)c(O)c1 TQ0281 [1,0,0,0,1,0|1,0,1]=4 57 B14R1.687 CC(=O)OCCc1ccc(O)c(O)c1 T8168 [1,0,0,0,0,1|1,0,0]=3