0 B14R1.686 NC(CC1=CC=C(O)C(O)=C1)C(O)=O T15138 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.686 NC(Cc1ccc(O)c(O)c1)C([O-])=O T32701 [0,0,0,0,0,0|0,0,1]=1 2 B14R1.686 N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O T5280 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.686 N[C@@H](Cc1ccc(O)c(I)c1)C(O)=O T5568 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.686 N[C@@H](Cc1ccc(O)c(N)c1)C(O)=O T31423 [0,0,0,0,0,0|1,0,0]=1 5 B14R1.686 N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O T0848 [0,0,0,0,0,0|0,0,0]=0 6 B14R1.686 N[C@@H](Cn1ccc(=O)c(O)c1)C(O)=O T6569 [0,0,0,0,0,0|1,0,1]=2 7 B14R1.686 OC(Cc1ccc(O)c(O)c1)C([O-])=O T2944 [0,0,0,0,0,0|1,0,1]=2 8 B14R1.686 O[C@H](Cc1ccc(O)c(O)c1)C(O)=O T3227 [0,0,0,0,0,0|1,0,0]=1 9 B13R1.133 C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.133 NC(Cc1ccc(Cl)cc1)C(O)=O T1447 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T19725 [1,0,0,0,0,0|1,0,0]=2 12 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T41274 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596 [1,0,0,0,0,0|0,0,0]=1 14 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.133 OC(=O)C(=O)Cc1ccc(O)cc1 T4858 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.133 OC(Cc1ccc(O)cc1)C(O)=O TQ0284 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 O[C@@H](Cc1ccc(O)cc1)C(O)=O T39887 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.148 NC(Cc1cccc(O)c1)C(O)=O T13654 [1,0,0,0,0,0|0,0,0]=1 19 B13R1.148 N[C@@H](Cc1cccc(F)c1)C(O)=O T21181 [1,0,0,0,0,0|1,0,0]=2 20 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(O)=O T19922 [1,0,0,0,0,0|0,0,0]=1 21 B13R1.511 CC(=O)/C=C/c1ccc(O)c(O)c1 T5728 [1,0,0,0,0,0|1,0,2]=4 22 B13R1.511 CC(=O)CCc1ccc(O)c(O)c1 TN3002 [1,0,0,0,0,0|1,0,0]=2 23 B13R1.511 NC(=O)C=Cc1ccc(O)c(O)c1 TN2881 [1,0,0,0,0,0|1,0,2]=4 24 B13R1.511 OC(=O)/C=C/c1ccc(O)c(O)c1 T2807 [1,0,0,0,0,0|0,0,2]=3 25 B13R1.511 OC(=O)CCc1ccc(O)c(O)c1 T0539 [1,0,0,0,0,0|0,0,0]=1 26 B15R1.676 OC(=O)C(=C/c1ccc(O)c(O)c1)/C#N T7101 [0,1,0,0,0,0|0,0,3]=4 27 B15R1.890 N[C@@H]([C@H](O)c1ccc(O)c(O)c1)C(O)=O T2547 [0,1,0,0,0,0|0,0,0]=1 28 B15R1.4038 COc1cc(CC(=O)C(O)=O)ccc1O T19600 [0,1,0,0,0,0|1,0,1]=3 29 B15R1.4038 COc1cc(CC(N)C(O)=O)ccc1O T9492 [0,1,0,0,0,0|0,0,0]=1 30 B15R1.5521 COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T7654 [0,1,0,0,0,0|0,0,0]=1 31 B15R1.5521 COC(=O)[C@@H](N)Cn1ccc(=O)c(O)c1 T33388 [0,1,0,0,0,0|1,0,1]=3 32 B15R1.5521 N[C@@H](CC1=CC=C(O)C(O)=C1)C(OC)=O T24445 [0,1,0,0,0,0|0,0,0]=1 33 B15R1.8394 NC(Cc1cc(O)c(O)cc1O)C(O)=O T26396 [0,1,0,0,0,0|0,0,0]=1 34 B15R1.8394 N[C@@H](CC1=CC(=O)C(=O)C=C1O)C(O)=O T32907 [0,1,0,0,0,0|0,0,2]=3 35 B15R1.8394 N[C@@H](Cc1cc(O)c(O)cc1O)C(O)=O T20396 [0,1,0,0,0,0|0,0,0]=1 36 B15R1.8394 N[C@@H](Cc1cc(O)c(O)cc1[18F])C(O)=O T31823 [0,1,0,0,0,0|0,0,0]=1 37 B15R1.11316 C(=O)([C@@](N)(Cc1cc(c(O)cc1)O)C)O T0505 [0,1,0,0,0,0|0,0,0]=1 38 B15R1.11316 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O T15701 [0,1,0,0,0,0|0,0,0]=1 39 B15R1.11316 C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O T5954 [0,1,0,0,0,0|0,0,0]=1 40 B15R1.11316 NC(CC1=CC=C(O)C(O)=C1)(C)C(O)=O T25054 [0,1,0,0,0,0|0,0,0]=1 41 B15R1.28955 C(=O)([C@H](Cc1cc(c(c(c1)I)O)I)N)O T2760 [0,1,0,0,0,0|1,0,0]=2 42 B15R1.28955 NC(Cc1cc(I)c(c(c1)I)O)C(O)=O TN6749 [0,1,0,0,0,0|1,0,0]=2 43 B15R1.28955 N[C@@H](CC1=CC(I)=C(O)C(I)=C1)C(O)=O T20069 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.510 OC(C(O)=O)c1ccc(O)c(O)c1 T5229 [0,0,0,0,1,0|1,0,0]=2 45 B13R1.510 OC(C(O)=O)c1ccc(O)c(O)c1 TQ0135 [0,0,0,0,1,0|1,0,0]=2 46 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 T7053 [2,0,0,0,0,0|0,0,2]=4 50 B12R1.21 OC(=O)/C=C/c1ccc(O)cc1 T2863 [2,0,0,0,0,0|0,0,2]=4 51 B12R1.21 OC(=O)/C=C\c1ccc(O)cc1 TN6840 [2,0,0,0,0,0|0,0,2]=4 52 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [2,0,0,0,0,0|0,0,0]=2 53 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [2,0,0,0,0,0|0,0,0]=2 56 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [2,0,0,0,0,0|0,0,0]=2 57 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [2,0,0,0,0,0|1,0,0]=3 59 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [2,0,0,0,0,0|1,0,0]=3 61 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [2,0,0,0,0,0|0,0,0]=2 62 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [2,0,0,0,0,0|0,0,0]=2 63 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [2,0,0,0,0,0|1,0,1]=4 64 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [2,0,0,0,0,0|2,0,0]=4 65 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 T19408 [2,0,0,0,0,0|0,0,2]=4 66 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [2,0,0,0,0,0|0,0,2]=4 67 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [2,0,0,0,0,0|0,0,0]=2 68 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [2,0,0,0,0,0|1,0,1]=4 69 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 T4907 [2,0,0,0,0,0|1,0,1]=4 70 B14R1.3 N[C@@H](Cc1ccc(cc1)C#C)C(O)=O T10142 [1,1,0,0,0,0|1,0,0]=3 71 B14R1.132 OC(C(O)c1ccc(O)cc1)C(O)=O TN2702 [1,1,0,0,0,0|1,0,0]=3 72 B14R1.134 COC(=O)C(Cl)Cc1ccc(Cl)cc1 T30893 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.134 COC(=O)C(O)Cc1ccc(O)cc1 TN4552 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.134 COC(=O)[C@@H](N)Cc1ccc(Cl)cc1 T41143 [1,1,0,0,0,0|1,0,0]=3 75 B14R1.7626 C[C@](C(O)=O)(N)CC1=CC=C(O)C=C1 T22368 [1,1,0,0,0,0|0,0,0]=2 76 B14R1.7626 N[C@](CC1=CC=C(O)C=C1)(C)C(O)=O T20700 [1,1,0,0,0,0|0,0,0]=2 77 B14R1.42 COc1cc(/C=C/C(O)=O)ccc1O T2215 [1,1,0,0,0,0|0,0,2]=4 78 B14R1.42 COc1cc(/C=C/C(O)=O)ccc1O T5679 [1,1,0,0,0,0|0,0,2]=4 79 B14R1.42 COc1cc(CCC(C)=O)ccc1O T6718 [1,1,0,0,0,0|1,0,0]=3 80 B14R1.42 COc1cc(CCC(O)=O)ccc1O T0558 [1,1,0,0,0,0|0,0,0]=2 81 B14R1.833 O=C(OC)\C=C\C1=CC=C(O)C(O)=C1 TN1926 [1,1,0,0,0,0|0,0,2]=4 82 B14R1.3653 COc1ccc(/C=C/C(O)=O)cc1O T2889 [1,1,0,0,0,0|0,0,2]=4 83 B14R1.1003 CCC(N)C(O)c1ccc(O)c(O)c1 T25398 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.41 COc1c(O)ccc(c1)C(O)C(=O)O T0611 [0,1,0,0,1,0|1,0,0]=3 85 B14R1.41 OC(C1=CC=C(O)C(OC)=C1)C(O)=O T35037 [0,1,0,0,1,0|1,0,0]=3 86 B14R1.699 CC(O)(C(O)=O)c1ccc(O)c(O)c1 T3490 [0,1,0,0,1,0|1,0,0]=3 87 B14R1.3652 N[C@@H](C1=CC=C(CO)C(O)=C1)C(O)=O T31847 [0,1,0,0,1,0|0,0,0]=2 88 B16R1.94545 C(=O)([C@@](Cc1cc(c(cc1)O)O)(C)NN)O T2148 [0,2,0,0,0,0|0,0,0]=2 89 B16R1.94545 C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O T6795 [0,2,0,0,0,0|0,0,0]=2 90 B16R1.36328 COc1c(O)cc(C[C@H](N)C(O)=O)cc1O T27162 [0,2,0,0,0,0|0,0,0]=2 91 B16R1.1058 N[C@@H](Cc1ccc(O)c(c1)[N+]([O-])=O)C(O)=O T4890 [0,2,0,0,0,0|0,0,1]=3 92 B16R1.4970 CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T15255 [0,2,0,0,0,0|0,0,0]=2 93 B16R1.4970 CCOC(=O)[C@@H](N)Cc1ccc(O)c(O)c1 T24047 [0,2,0,0,0,0|0,0,0]=2 94 B14R2.4513 Oc1ccc2ccc(=O)oc2c1O T2851 [1,0,0,1,0,0|0,0,2]=4 95 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [1,0,0,0,1,0|1,0,0]=3 96 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [1,0,0,0,1,0|0,0,0]=2 97 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [1,0,0,0,1,0|1,0,0]=3 98 B12R1.225 CC(C(O)=O)c1cccc(O)c1 T29313 [1,0,0,0,1,0|1,0,0]=3 99 B12R1.225 N[C@H](C(O)=O)C1=CC(O)=CC=C1 T23291 [1,0,0,0,1,0|0,0,0]=2 100 B12R1.225 OC(C(O)=O)c1cccc(O)c1 T7634 [1,0,0,0,1,0|1,0,0]=3 101 B12R1.225 OC1=CC([C@@H](C(O)=O)N)=CC=C1 T23259 [1,0,0,0,1,0|0,0,0]=2 102 B12R1.367 OCC(c1ccc(c(c1)O)O)O TQ0281 [1,0,0,0,1,0|1,0,1]=4 103 B14R1.679 N[C@@H](CCc1ccc(O)cc1)C(O)=O T25506 [1,0,0,0,0,1|0,0,0]=2 104 B14R1.687 CC(=O)OCCc1ccc(O)c(O)c1 T8168 [1,0,0,0,0,1|1,0,0]=3