0 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 Q377 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 Q378 [0,0,0,0,0,0|3,0,0]=3 2 B14R1.3 CCC1=CC=C(OC(C)C(=O)O)C=C1 4722AF [0,0,0,0,0,0|1,0,0]=1 3 B14R1.3 N#CC1=CC=C(CC(N)C(=O)O)C=C1 1438AB [0,0,0,0,0,0|4,0,0]=4 4 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 1017AA [0,0,0,0,0,0|4,0,0]=4 5 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 E554 [0,0,0,0,0,0|4,0,0]=4 6 B14R1.3 NCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4019AA [0,0,0,0,0,0|4,0,0]=4 7 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 9197AD [1,0,0,0,0,0|2,0,1]=4 8 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 1270AB [1,0,0,0,0,0|1,0,1]=3 9 B13R1.3 COC1=CC=C(CCC(N)=O)C=C1 Z2631 [1,0,0,0,0,0|2,0,0]=3 10 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 7597AE [1,0,0,0,0,0|2,0,1]=4 11 B13R1.3 COC1=CC=C(OCC(C)O)C=C1 4291AL [1,0,0,0,0,0|1,0,1]=3 12 B13R1.5 COC1=CC=C(OC(C)CN)C=C1 5943AC [1,0,0,0,0,0|1,0,1]=3 13 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O Y5507 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)O 0111AE [1,0,0,0,0,0|1,0,0]=2 15 B13R1.133 CC(OC1=CC=C(Cl)C=C1)C(=O)O X6269 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)O 8891AE [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 CC1=CC=C(OC(C)C(=O)O)C=C1 7688AD [1,0,0,0,0,0|0,0,0]=1 18 B13R1.133 C[C@H](OC1=CC=C(O)C=C1)C(=O)O V2122 [1,0,0,0,0,0|0,0,0]=1 19 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 5562AH [1,0,0,0,0,0|3,0,0]=4 20 B13R1.133 O=C(O)C(F)CC1=CC=C(O)C=C1 7683AB [1,0,0,0,0,0|2,0,0]=3 21 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [1,0,0,0,0,0|2,0,0]=3 22 B15R1.3 CCC1=CC=C(OC(C)C(=O)NN)C=C1 7810AE [0,1,0,0,0,0|2,0,0]=3 23 B15R1.3 COC(=O)C(C)OC1=CC=C(C=O)C=C1 0867AC [0,1,0,0,0,0|2,0,0]=3 24 B15R1.3 COC1=CC=C(OC(C)C(=O)NN)C=C1 7244AD [0,1,0,0,0,0|1,0,0]=2 25 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 Z1933 [0,1,0,0,0,0|2,0,0]=3 26 B15R1.216 CCC1=CC=C(OC(C)(C)C(=O)O)C=C1 5622AD [0,1,0,0,0,0|1,0,0]=2 27 B15R1.216 COC1=CC=C(NC(C)(C)C(=O)O)C=C1 7824AC [0,1,0,0,0,0|1,0,0]=2 28 B15R1.216 COC1=CC=C(OC(C)(C)C(=O)O)C=C1 5676AD [0,1,0,0,0,0|0,0,0]=1 29 B15R1.495 CC(C)C1=CC=C(OC(C)C(=O)O)C=C1 8027AD [0,1,0,0,0,0|1,0,0]=2 30 B15R1.495 CC(OC1=CC=C([N+](=O)[O-])C=C1)C(=O)O 4060AD [0,1,0,0,0,0|2,0,0]=3 31 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=N2 5027AC [0,0,0,1,0,0|1,1,1]=4 32 B15R2.4834 COC1=CC=C2NC(C(=O)O)=NC2=C1 Y5639 [0,0,0,1,0,0|2,0,1]=4 33 B15R2.4834 COC1=CC=C2OC(C(=O)O)=NC2=C1 X5071 [0,0,0,1,0,0|1,0,1]=3 34 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 6236AA [0,0,0,0,1,0|1,0,0]=2 35 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 X3138 [0,0,0,0,1,0|1,0,0]=2 36 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 1870AB [0,0,0,0,1,0|1,0,0]=2 37 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 V7512 [0,0,0,0,1,0|1,1,0]=3 38 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [2,0,0,0,0,0|1,0,0]=3 39 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [2,0,0,0,0,0|1,0,0]=3 40 B12R1.21 CC1=CC=C(OCC(C)O)C=C1 4293AL [2,0,0,0,0,0|1,0,1]=4 41 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 6031AE [2,0,0,0,0,0|2,0,0]=4 42 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [2,0,0,0,0,0|1,1,0]=4 43 B12R1.71 COC1=CC=C(OCCO)C=C1 5212AE [2,0,0,0,0,0|0,0,1]=3 44 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [2,0,0,0,0,0|1,0,1]=4 45 B12R1.4 CCC1=CC=C(OC(C)=O)C=C1 6985AL [2,0,0,0,0,0|1,0,1]=4 46 B12R1.4 COC1=CC=C(NC(C)C)C=C1 8375AA [2,0,0,0,0,0|1,0,1]=4 47 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 7330AE [2,0,0,0,0,0|1,0,1]=4 48 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [2,0,0,0,0,0|2,0,0]=4 49 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [2,0,0,0,0,0|2,0,0]=4 50 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [2,0,0,0,0,0|1,0,0]=3 51 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [2,0,0,0,0,0|1,1,0]=4 52 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [2,0,0,0,0,0|2,0,0]=4 54 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 9946AC [1,1,0,0,0,0|2,0,0]=4 55 B14R1.2 COC1=CC=C([C@@H](N)CC(=O)O)C=C1 Z5633 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 3938AC [1,1,0,0,0,0|2,0,0]=4 57 B14R1.2 COC1=NC=C([C@H](N)CC(=O)O)C=C1 1053AC [1,1,0,0,0,0|2,0,0]=4 58 B14R1.5 COC(=O)C#CC1=CC=C(OC)C=C1 1687AC [1,1,0,0,0,0|1,0,1]=4 59 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 V7796 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.5 COC1=CC=C(OCC(O)CN)C=C1 Y9242 [1,1,0,0,0,0|1,0,1]=4 61 B14R1.5 COC1=CC=C(OC\C(N)=N\O)C=C1 8131AE [1,1,0,0,0,0|1,0,0]=3 62 B14R1.103 COC1=CC(F)=C(CCC(=O)O)C=C1 3198AC [1,1,0,0,0,0|1,0,0]=3 63 B14R1.419 CC(=O)C1=CC=C(OCC(N)=O)C=C1 3036AE [1,1,0,0,0,0|2,0,0]=4 64 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 9039AC [1,1,0,0,0,0|2,0,0]=4 65 B14R1.419 NC(=O)C1=CC=C(OCC(=O)O)C=C1 5226AJ [1,1,0,0,0,0|2,0,0]=4 66 B14R1.419 O=C(O)COC1=CC=C(B(O)O)C=C1 X1534 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 7672AD [1,1,0,0,0,0|1,0,0]=3 68 B14R1.3653 COC1=C(Cl)C=C(\C=C\C(=O)O)C=C1 1096AQ [1,1,0,0,0,0|1,0,1]=4 69 B14R1.215 CCC1=CC=C(CC(C)(C)C=O)C=C1 0415AC [1,1,0,0,0,0|2,0,0]=4 70 B14R1.134 CC(OC1=CC=C(Br)C=C1)C(=O)NN 0257AE [1,1,0,0,0,0|2,0,0]=4 71 B14R1.134 CC(OC1=CC=C(F)C=C1)C(=O)NN 6279AE [1,1,0,0,0,0|2,0,0]=4 72 B14R1.134 CC1=CC=C(OC(C)C(=O)NN)C=C1 0336AF [1,1,0,0,0,0|1,0,0]=3 73 B14R1.536 CCC(OC1=CC=C(Br)C=C1)C(=O)O 4302AD [1,1,0,0,0,0|1,0,0]=3 74 B14R1.536 CCC(OC1=CC=C(C)C=C1)C(=O)O 4301AD [1,1,0,0,0,0|0,0,0]=2 75 B14R1.536 CCC(OC1=CC=C(Cl)C=C1)C(=O)O 7737AC [1,1,0,0,0,0|1,0,0]=3 76 B14R1.536 CCC(OC1=CC=C(Cl)C=C1)C(=O)O U469 [1,1,0,0,0,0|1,0,0]=3 77 B14R1.536 CCC(OC1=CC=C(F)C=C1)C(=O)O 5180AD [1,1,0,0,0,0|1,0,0]=3 78 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O Z5915 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.536 NCC(CC1=CC=C(F)C=C1)C(=O)O 1990AL [1,1,0,0,0,0|2,0,0]=4 80 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C 7003AA [1,1,0,0,0,0|2,0,0]=4 81 B14R1.686 CC1=CC=C(OC(C)C(=O)O)C=C1C 8404AD [1,1,0,0,0,0|0,0,0]=2 82 B14R1.686 NC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 V0957 [1,1,0,0,0,0|2,0,0]=4 83 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O W8200 [1,1,0,0,0,0|2,0,0]=4 84 B14R1.6049 CC(OC1=C(Br)C=C(Br)C=C1)C(=O)O 8317AE [1,1,0,0,0,0|1,0,0]=3 85 B14R1.6049 CC(OC1=CC=C(Br)C=C1Cl)C(=O)O 6207AE [1,1,0,0,0,0|1,0,0]=3 86 B14R1.6049 CC(OC1=CC=C(Cl)C=C1Br)C(=O)O 4629AF [1,1,0,0,0,0|1,0,0]=3 87 B14R1.6049 CC(OC1=CC=C(F)C=C1Cl)C(=O)O 6374AD [1,1,0,0,0,0|1,0,0]=3 88 B14R1.6049 CC1=C(OC(C)C(=O)O)C=CC(Cl)=C1 9826AF [1,1,0,0,0,0|1,0,0]=3 89 B14R1.6049 NC(CC1=CC=C(O)C=C1O)C(=O)O 8625AB [1,1,0,0,0,0|2,0,0]=4 90 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O 0425AC [1,1,0,0,0,0|2,0,0]=4 91 B14R1.7626 CC1=CC=C(OC(C)(C)C(=O)O)C=C1 7932AD [1,1,0,0,0,0|0,0,0]=2 92 B14R1.213 COC1=CC=C(C(C)(C)C(=O)O)C=C1 3018AB [0,1,0,0,1,0|0,0,0]=2 93 B16R1.212 COC1=CC=C(C(=O)N(C)CC(=O)O)C=C1 3822AD [0,1,0,0,0,1|2,0,0]=4 94 B16R1.4958 CCOC(=O)C(O)CC1=CC=C(OC)C=C1 1734AJ [0,2,0,0,0,0|2,0,0]=4 95 B16R1.6949 CC(C)C1=CC=C(OC(C)C(=O)NN)C=C1 7723AE [0,2,0,0,0,0|2,0,0]=4 96 B16R1.6949 CC(C)C1=CC=C(OC(C)C(=O)NN)C=C1 7724AE [0,2,0,0,0,0|2,0,0]=4 97 B16R1.12329 CC(C)(OC1=CC=C([N+](=O)[O-])C=C1)C(=O)O 5630AD [0,2,0,0,0,0|2,0,0]=4 98 B16R1.12329 CC(C)C1=CC=C(OC(C)(C)C(=O)O)C=C1 7845AE [0,2,0,0,0,0|1,0,0]=3 99 B16R1.4113 CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)O 8256AE [0,2,0,0,0,0|1,0,0]=3 100 B16R1.4113 CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)O 4955AH [0,2,0,0,0,0|2,0,0]=4 101 B16R1.6718 CC1=CC(OC(C)C(=O)O)=CC=C1[N+](=O)[O-] 7717AE [0,2,0,0,0,0|2,0,0]=4 102 B14R1.153 CC1=C(C)C(OC(C)C(=O)O)=CC=C1 7689AD [0,0,1,1,0,0|1,0,1]=4 103 B14R2.3274 COC1=CC2=C(C=C1)CC(Br)C2=O 6813AE [1,0,0,1,0,0|2,0,0]=4 104 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 0613AA [1,0,0,1,0,0|0,0,2]=4 105 B14R2.4529 O=C(O)C1CC2=CC(Cl)=CC=C2O1 4126AB [1,0,0,1,0,0|1,0,0]=3 106 B14R2.4529 O=C(O)C1CC2=CC(O)=CC=C2O1 2685AA [1,0,0,1,0,0|0,0,0]=2 107 B14R2.8239 CC1OC2=CC=C(Br)C=C2NC1=O 7580AD [1,0,0,1,0,0|2,0,0]=4 108 B14R2.8239 CC1OC2=CC=C(F)C=C2NC1=O V9182 [1,0,0,1,0,0|2,0,0]=4 109 B16R2.7527 COC1=CC2=C(C=C1)OC(C)=C2C(=O)O 9382AD [0,0,0,1,0,1|0,0,1]=3 110 B16R2.7476 COC1=CC2=C(C=C1)OCC(C(=O)O)=C2 8484AB [0,0,0,1,0,1|0,0,2]=4 111 B16R2.7604 COC(=O)C1=NC2=C(C=CC(OC)=C2)O1 6710AB [0,1,0,1,0,0|1,0,1]=4 112 B16R2.7604 COC(=O)C1CC2=C(C=C(OC)C=C2)C1 0105AC [0,1,0,1,0,0|1,0,0]=3 113 B16R2.6257 CC(OC1=CC2=C(C=C1)CCC2)C(=O)O 3032AF [0,1,0,1,0,0|1,0,0]=3 114 B16R2.6257 CC(OC1=CC2=C(C=C1)OCO2)C(=O)O 1454AA [0,1,0,1,0,0|0,0,0]=2 115 B16R2.7486 COC1=CC2=C(C=C1)C=C(C(=O)O)CO2 8483AB [0,1,0,1,0,0|1,0,1]=4 116 B16R2.7526 COC1=CC=C2C=C(C(=O)O)N(C)C2=C1 9040AE [0,1,0,1,0,0|1,0,1]=4 117 B16R2.7526 COC1=CC=C2NC(C(=O)O)=C(C)C2=C1 5260AD [0,1,0,1,0,0|1,0,1]=4 118 B16R2.37660 COC1=CC2=C(C=C1)N=C(CBr)C(=O)O2 6007AL [0,1,0,1,0,0|1,0,1]=4 119 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 6568AL [1,0,0,0,1,0|1,0,0]=3 120 B12R1.20 CC(=O)C(Br)C1=CC=C(O)C=C1 6547AC [1,0,0,0,1,0|2,0,0]=4 121 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 V7421 [1,0,0,0,1,0|2,0,0]=4 122 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [1,0,0,0,1,0|2,0,0]=4 123 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [1,0,0,0,1,0|2,0,0]=4 124 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 Y6551 [1,0,0,0,1,0|2,0,0]=4 125 B12R1.20 O=C(O)C(Br)C1=CC=C(F)C=C1 1179AQ [1,0,0,0,1,0|2,0,0]=4 126 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 Z5112 [1,0,0,0,1,0|2,0,0]=4 127 B12R1.20 O=C([O-])C(O)C1=CC=C(O)C=C1 0691AC [1,0,0,0,1,0|1,0,1]=4 128 B14R1.4 CCC1=CC=C(CCCC(=O)O)C=C1 7933AB [1,0,0,0,0,1|2,0,0]=4 129 B14R1.4 COC1=CC=C(SCCC(=O)O)C=C1 2318AL [1,0,0,0,0,1|0,1,0]=3 130 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O Z5698 [1,0,0,0,0,1|2,0,0]=4 131 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 9329AA [1,0,0,0,0,1|2,0,0]=4 132 B14R1.75 COC1=CC(CC(N)C(=O)O)=CC=C1 1885AC [0,0,0,0,1,1|2,0,0]=4