0 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 Q377 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.3 CCC1=CC=C(C[C@H](N)C(=O)O)C=C1 Q378 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.3 CCC1=CC=C(OC(C)C(=O)O)C=C1 4722AF [0,0,0,0,0,0|3,0,1]=4 3 B14R1.3 COC1=CC=C(NC(=O)C(C)N)C=C1 2804AD [0,0,0,0,0,0|3,0,1]=4 4 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 1017AA [0,0,0,0,0,0|3,0,1]=4 5 B14R1.3 N#CC1=CC=C(C[C@H](N)C(=O)O)C=C1 E554 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.3 NCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4019AA [0,0,0,0,0,0|3,0,1]=4 7 B14R1.3 NCC1=CC=C(C[C@H](N)C(=O)O)C=C1 7531AA [0,0,0,0,0,0|3,0,1]=4 8 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 9197AD [1,0,0,0,0,0|1,0,1]=3 9 B13R1.3 COC1=CC=C(C#CC(=O)O)C=C1 1270AB [1,0,0,0,0,0|0,0,2]=3 10 B13R1.3 COC1=CC=C(CCC(N)=O)C=C1 Z2631 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.3 COC1=CC=C(CSC(N)=[NH2+])C=C1 AMTEC006 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.3 COC1=CC=C(\C=C\C(C)=O)C=C1 6135AC [1,0,0,0,0,0|1,0,1]=3 13 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 H156 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.5 COC(=O)NC1=CC=C(OC)C=C1 4552AD [1,0,0,0,0,0|3,0,0]=4 15 B13R1.5 COC1=CC=C(CC(C)C=O)C=C1 2238AL [1,0,0,0,0,0|1,0,1]=3 16 B13R1.5 COC1=CC=C(NC(=O)CN)C=C1 0810AF [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 CC(CC1=CC=C(Cl)C=C1)C(=O)O 7328AC [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 C[C@H](OC1=CC=C(O)C=C1)C(=O)O V2122 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 NC1=CC=C(NC(=O)C(=O)O)C=C1 8057AF [1,0,0,0,0,0|2,0,0]=3 20 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 7300AA [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 C107 [1,0,0,0,0,0|0,0,0]=1 22 B13R1.133 O=C(O)C(F)CC1=CC=C(O)C=C1 7683AB [1,0,0,0,0,0|1,0,1]=3 23 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 Z1933 [0,1,0,0,0,0|1,0,1]=3 24 B15R1.16 CCOC1=CC=C(NC(=O)C(C)O)C=C1 5879AF [0,1,0,0,0,0|2,0,1]=4 25 B15R1.216 COC1=CC=C(OC(C)(C)C(=O)O)C=C1 5676AD [0,1,0,0,0,0|2,0,1]=4 26 B15R1.219 COC1=CC=C(CC(=O)C(F)(F)F)C=C1 7560AD [0,1,0,0,0,0|2,0,1]=4 27 B15R1.495 CC(=O)C1=CC=C(CC(N)C(=O)O)C=C1 6426AA [0,1,0,0,0,0|2,0,1]=4 28 B15R1.495 CC(=O)C1=CC=C(C[C@H](N)C(=O)O)C=C1 X5638 [0,1,0,0,0,0|2,0,1]=4 29 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)O2 6967AB [0,0,0,1,0,0|0,0,2]=3 30 B15R2.4834 COC1=CC2=C(C=C1)N=C(C(N)=O)S2 6246AC [0,0,0,1,0,0|2,1,0]=4 31 B15R2.4834 COC1=CC2=C(C=C1)OC(C(=O)O)C2 6010AC [0,0,0,1,0,0|2,0,1]=4 32 B15R2.4834 COC1=CC2=C(C=C1)SC(C(=O)O)=N2 5027AC [0,0,0,1,0,0|2,0,0]=3 33 B15R2.4834 COC1=CC=C2OC(C(=O)O)=NC2=C1 X5071 [0,0,0,1,0,0|2,0,0]=3 34 B15R2.21336 COC1=CC2=NC(O)=C(O)N=C2C=C1 Y3284 [0,0,0,1,0,0|2,0,1]=4 35 B13R1.36 COC1=CC=C([C@@H](N)C(=O)O)C=C1 1870AB [0,0,0,0,1,0|1,0,1]=3 36 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 V7512 [0,0,0,0,1,0|1,1,1]=4 37 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [2,0,0,0,0,0|1,0,1]=4 38 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [2,0,0,0,0,0|1,0,1]=4 39 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [2,0,0,0,0,0|1,0,1]=4 40 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [2,0,0,0,0,0|1,0,1]=4 41 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [2,0,0,0,0,0|1,0,1]=4 42 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [2,0,0,0,0,0|0,1,1]=4 43 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 O075 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 8063AF [2,0,0,0,0,0|1,0,1]=4 45 B12R1.71 COC1=CC=C(CN=C=O)C=C1 5757AE [2,0,0,0,0,0|1,0,1]=4 46 B12R1.71 COC1=CC=C(\C=C\CO)C=C1 5877AD [2,0,0,0,0,0|0,0,2]=4 47 B12R1.4 C=C(Br)CC1=CC=C(SC)C=C1 0379AF [2,0,0,0,0,0|1,1,0]=4 48 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [2,0,0,0,0,0|1,0,0]=3 49 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 7067AA [2,0,0,0,0,0|1,0,0]=3 50 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 2717AL [2,0,0,0,0,0|1,0,1]=4 51 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 3012AB [2,0,0,0,0,0|2,0,0]=4 52 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 7496AE [2,0,0,0,0,0|2,0,0]=4 53 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 4244AB [2,0,0,0,0,0|2,0,0]=4 54 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 5933AE [2,0,0,0,0,0|2,0,0]=4 55 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 E021 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [2,0,0,0,0,0|1,0,0]=3 58 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [2,0,0,0,0,0|1,0,1]=4 59 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 9946AC [1,1,0,0,0,0|1,0,1]=4 60 B14R1.2 COC1=NC=C([C@@H](N)CC(=O)O)C=C1 3938AC [1,1,0,0,0,0|1,0,1]=4 61 B14R1.2 COC1=NC=C([C@H](N)CC(=O)O)C=C1 1053AC [1,1,0,0,0,0|1,0,1]=4 62 B14R1.103 COC1=CC(F)=C(CCC(=O)O)C=C1 3198AC [1,1,0,0,0,0|0,0,1]=3 63 B14R1.103 COC1=CC(F)=C(\C=C\C(=O)O)C=C1 0525AC [1,1,0,0,0,0|0,0,1]=3 64 B14R1.142 CCOC1=CC=C(\C=C\C(=O)Cl)C=C1 9539AE [1,1,0,0,0,0|1,0,1]=4 65 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 X2948 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.3653 COC1=C(C)C=C(CCC(=O)O)C=C1 7672AD [1,1,0,0,0,0|0,0,1]=3 67 B14R1.7 COC(=O)C(N)C1=CC=C(OC)C=C1 3517AL [1,1,0,0,0,0|2,0,0]=4 68 B14R1.24 CCOC1=CC=C(CC(=O)NN)C=C1 6794AE [1,1,0,0,0,0|2,0,0]=4 69 B14R1.24 CCOC1=CC=C(NC(=O)CO)C=C1 W4626 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.3276 COC(=O)CC1=CC(N)=C(OC)C=C1 7116AE [1,1,0,0,0,0|2,0,0]=4 71 B14R1.3276 COC(=O)CC1=CC=C(OC)C(O)=C1 5063AD [1,1,0,0,0,0|2,0,0]=4 72 B14R1.134 CC1=CC=C(NC(=O)C(=O)NN)C=C1 4505AE [1,1,0,0,0,0|2,0,0]=4 73 B14R1.536 CN[C@@H](CC1=CC=C(O)C=C1)C(=O)O Z5915 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C 7003AA [1,1,0,0,0,0|1,0,1]=4 75 B14R1.686 CC1=CC=C(C[C@H](N)C(=O)O)C=C1C Q487 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.686 N[C@@H](CC1=CC=C(O)C(F)=C1)C(=O)O W8200 [1,1,0,0,0,0|1,0,1]=4 77 B14R1.686 N[C@H](CC1=CC(O)=C(O)C=C1)C(=O)O O103 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 6379AB [1,1,0,0,0,0|1,0,1]=4 79 B14R1.6049 CC1=CC=C(NC(=O)C(=O)O)C(C)=C1 0816AF [1,1,0,0,0,0|1,0,0]=3 80 B14R1.6049 NC(CC1=CC=C(O)C=C1O)C(=O)O 8625AB [1,1,0,0,0,0|1,0,1]=4 81 B14R1.6049 O=C(O)C(=O)NC1=CC=C(F)C=C1F 7982AE [1,1,0,0,0,0|2,0,0]=4 82 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O 9591AJ [1,1,0,0,0,0|1,0,1]=4 83 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1Cl V6429 [0,1,0,0,1,0|1,0,1]=4 84 B16R1.201 COC(=O)CC(=O)CC1=CC=C(OC)C=C1 2497AJ [0,1,0,0,0,1|0,0,0]=2 85 B16R1.197 COC(=O)C(=O)\C=C\C1=CC=C(OC)C=C1 1191AA [0,1,0,0,0,1|0,0,1]=3 86 B16R1.4958 CCOC(=O)C(O)CC1=CC=C(OC)C=C1 1734AJ [0,2,0,0,0,0|0,0,2]=4 87 B16R1.69 C#CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 4410AH [0,2,0,0,0,0|1,0,1]=4 88 B14R2.134 COC1=CC2=C(C=C1)N=CC(=O)N2 Y3287 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.2332 COC1=CC2=C(C=C1)CC(=O)CC2 X7021 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.2332 COC1=CC2=C(C=C1)OC(=O)C=C2 5600AD [1,0,0,1,0,0|2,0,0]=4 91 B14R2.3274 COC1=CC2=C(C=C1)CC(Br)C2=O 6813AE [1,0,0,1,0,0|1,0,1]=4 92 B14R2.3304 COC1=CC2=C(C=C1)C=C(C=O)N2 3038AL [1,0,0,1,0,0|1,0,1]=4 93 B14R2.3304 COC1=CC2=C(C=C1)NC(C=O)=C2 7412AD [1,0,0,1,0,0|2,0,0]=4 94 B14R2.3304 COC1=CC2=C(C=C1)OC(C=O)=C2 1511AB [1,0,0,1,0,0|2,0,0]=4 95 B14R2.3304 COC1=CC=C2SC(C=O)=CC2=C1 W7432 [1,0,0,1,0,0|2,0,0]=4 96 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 W3994 [1,0,0,1,0,0|1,0,1]=4 97 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 0613AA [1,0,0,1,0,0|2,0,0]=4 98 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 4503AE [1,0,0,1,0,0|0,0,2]=4 99 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 3892AB [1,0,0,1,0,0|0,0,2]=4 100 B14R2.8239 NC1=CC2=C(C=C(O)C=C2)OC1=O W8495 [1,0,0,1,0,0|1,0,1]=4 101 B16R2.50 COC1=CC=C(C2=CC(=O)OC2=O)C=C1 4038AE [0,0,0,1,0,1|1,0,1]=4 102 B16R2.50 COC1=CC=C(C2NC(=O)NC2=O)C=C1 6267AJ [0,0,0,1,0,1|1,0,0]=3 103 B16R2.7527 COC1=CC2=C(C=C1)OC(C)=C2C(=O)O 9382AD [0,0,0,1,0,1|2,0,0]=4 104 B16R2.7476 COC1=CC=C2OC[C@@H](C(=O)O)CC2=C1 2979AH [0,0,0,1,0,1|1,0,1]=4 105 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2S1 3585AJ [0,1,0,1,0,0|0,1,1]=4 106 B16R2.7604 COC(=O)C1=NC2=CC=C(OC)C=C2S1 Z3047 [0,1,0,1,0,0|1,1,0]=4 107 B16R2.7604 COC(=O)C1CC2=C(C=C(OC)C=C2)C1 0105AC [0,1,0,1,0,0|1,0,1]=4 108 B16R2.37661 COC1=CC2=C(C=C1)NC(=O)C(C=O)=C2 2958AD [0,1,0,1,0,0|2,0,0]=4 109 B16R2.28287 CCOC1=CC=C2C=C(C(=O)O)NC2=C1 7857AC [0,1,0,1,0,0|1,0,1]=4 110 B16R2.7486 COC1=CC2=C(C=C1)C=C(C(=O)O)CO2 8483AB [0,1,0,1,0,0|0,0,2]=4 111 B16R2.7486 COC1=CC2=C(C=C1)CC(C(=O)O)CC2 X2031 [0,1,0,1,0,0|1,0,1]=4 112 B16R2.7486 COC1=CC2=C(C=C1)N=C(C(=O)O)C=C2 1726AC [0,1,0,1,0,0|2,0,0]=4 113 B16R2.7526 COC1=CC2=C(C=C1)OC(C(=O)O)=C2C 0110AF [0,1,0,1,0,0|2,0,0]=4 114 B16R2.7526 COC1=CC=C2NC(C(=O)O)=C(C)C2=C1 5260AD [0,1,0,1,0,0|2,0,0]=4 115 B16R2.37660 COC1=CC2=C(C=C1)N=C(CBr)C(=O)O2 6007AL [0,1,0,1,0,0|2,0,0]=4 116 B16R2.37660 COC1=CC=C2C=C(C=O)C(O)=NC2=C1 Z1891 [0,1,0,1,0,0|1,0,1]=4 117 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 X9190 [1,0,0,0,1,0|1,0,0]=3 118 B12R1.5 COC1=CC=C(C(=O)C#N)C=C1 8793AH [1,0,0,0,1,0|1,0,1]=4 119 B12R1.5 COC1=CC=C(C(=O)ON)C=C1 1197AF [1,0,0,0,1,0|2,0,0]=4 120 B12R1.5 COC1=CC=C(N(C)C=O)C=C1 6568AL [1,0,0,0,1,0|2,0,0]=4 121 B12R1.5 CSC1=CC=C(C(=O)C=O)C=C1 7517AB [1,0,0,0,1,0|0,1,0]=3 122 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 W4089 [1,0,0,0,1,0|2,0,0]=4 123 B14R1.4 COC1=CC=C(SCCC(=O)O)C=C1 2318AL [1,0,0,0,0,1|0,0,1]=3 124 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O V1131 [1,0,0,0,0,1|1,0,1]=4 125 B14R1.679 N[C@H](CCC1=CC=C(O)C=C1)C(=O)O Z5698 [1,0,0,0,0,1|1,0,1]=4 126 B14R1.698 CC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 9329AA [1,0,0,0,0,1|1,0,1]=4 127 B14R1.698 CC1=CC=C(NC(=O)CC(=O)O)C=C1 4247AF [1,0,0,0,0,1|1,0,0]=3 128 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(O)C=C1 W5529 [1,0,0,0,0,1|1,0,1]=4