0 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,0,0|2,0,1]=3 2 B7R0.6 C(=C\C(=O)[O-])/C(=O)[O-] FMR [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,0|1,0,3]=4 4 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,0|2,0,2]=4 5 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,0,0|0,0,2]=2 6 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,0|1,0,1]=2 7 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,0,0|1,0,1]=2 8 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,0,0|1,0,2]=3 9 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.4 C(CC(=O)O)CBr 0A5 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 C(CC(=O)O)CN ABU [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC(C)CCC=O MOP [1,0,0,0,0,0|0,0,2]=3 13 B6R0.4 CCCCC(=O)O LEA [1,0,0,0,0,0|0,0,2]=3 14 B6R0.4 CCCCC(=O)O PEI [1,0,0,0,0,0|0,0,2]=3 15 B6R0.4 CCCOC(=O)C 4PA [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CCNCC(=O)O 2JC [1,0,0,0,0,0|1,0,1]=3 17 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,1,0,0,0,0|1,0,2]=4 18 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,1,0,0,0,0|1,0,2]=4 19 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,1,0,0,0,0|1,0,2]=4 20 B8R0.9 COC(CCC(=O)O)O HMB [0,1,0,0,0,0|1,0,2]=4 21 B8R0.23 C(=C(/C(=O)O)\N)/C(=O)O 2KZ [0,1,0,0,0,0|2,0,1]=4 22 B8R0.23 C(=C(\C(=O)O)/N)/C(=O)O DYA [0,1,0,0,0,0|2,0,1]=4 23 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,0,0|0,0,1]=2 24 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,1,0,0,0,0|0,0,2]=3 25 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,1,0,0,0,0|1,0,2]=4 26 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,1,0,0,0,0|1,0,2]=4 27 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,1,0,0,0,0|1,0,2]=4 28 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,1,0,0,0,0|0,0,2]=3 29 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,1,0,0,0,0|0,0,2]=3 30 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,1,0,0,0,0|0,0,2]=3 31 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,1,0,0,0,0|0,0,2]=3 32 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,1,0,0,0,0|0,0,2]=3 33 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,1,0,0,0,0|0,0,2]=3 34 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,1,0,0,0,0|0,0,3]=4 35 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,1,0,0,0,0|0,0,3]=4 36 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,1,0,0,0,0|0,0,2]=3 37 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,1,0,0,0,0|0,0,2]=3 38 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,1,0,0,0,0|1,0,0]=2 39 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,1,0,0,0,0|0,0,2]=3 40 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,1,0,0,0,0|0,0,2]=3 41 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,1,0,0,0,0|1,0,2]=4 42 B8R0.23 C\C(=C/C(=O)O)\C(=O)O MEZ [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CIZ [0,1,0,0,0,0|2,0,1]=4 44 B8R0.29 CC(C)CCP(=O)(O)O IPI [0,1,0,0,0,0|1,0,2]=4 45 B8R0.29 CC(C)CO[P@@](=O)(C)O VR [0,1,0,0,0,0|2,0,1]=4 46 B8R1.3 Cc1ccc(cc1)O PCR [0,0,0,1,0,0|1,0,2]=4 47 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,1,0|1,0,2]=4 48 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,1,0|1,0,2]=4 49 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,1,0|0,0,1]=2 50 B6R0.2 CC(C)SC(=N)N IPU [0,0,0,0,1,0|3,0,0]=4 51 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,1,0|1,0,1]=3 52 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,1,0|1,0,1]=3 53 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,1,0|1,0,1]=3 54 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,1,0|1,0,1]=3 55 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,1,0|1,0,1]=3 56 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [0,0,0,0,0,1|2,0,1]=4 57 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,1|1,0,2]=4 58 B8R0.28 CC(C)CNCC(=O)O I4G [0,0,0,0,0,1|0,0,2]=3 59 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 CC(C)CCO IP3 [2,0,0,0,0,0|0,0,2]=4 64 B5R0.1 CC=CC(=O)O BEO [2,0,0,0,0,0|0,0,0]=2 65 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|1,0,1]=4 67 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|0,0,1]=3 68 B5R0.1 CCOC(=O)C EEE [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|1,0,0]=3 70 B5R0.1 CCO[P@H](=O)O ATJ [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|1,0,1]=4 72 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 C[C@H](CC=O)O 5KO [2,0,0,0,0,0|1,0,1]=4 74 B5R0.2 C(=CC=O)C=O 2FU [2,0,0,0,0,0|1,0,1]=4 75 B5R0.2 CCC/C=N\O BXO [2,0,0,0,0,0|1,0,1]=4 76 B5R0.2 CCCCC=O PTL [2,0,0,0,0,0|0,0,2]=4 77 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [1,1,0,0,0,0|0,0,2]=4 78 B7R0.2 CC(C)NC(=N)NO IHG [1,1,0,0,0,0|2,0,0]=4 79 B7R0.4 C(CCO)CC(=O)O SHO [1,1,0,0,0,0|0,0,2]=4 80 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,1,0,0,0,0|0,0,2]=4 81 B7R0.4 C(COCC(=O)O)O VKC [1,1,0,0,0,0|1,0,1]=4 82 B7R0.4 C(CSCC(=O)O)N ESD [1,1,0,0,0,0|1,0,1]=4 83 B7R0.4 C(\C=C\CN)C(=O)O FBE [1,1,0,0,0,0|1,0,0]=3 84 B7R0.4 CCCCCC(=O)O 6NA [1,1,0,0,0,0|0,0,2]=4 85 B7R0.5 C(CO)C(=O)C(=O)O VGX [1,1,0,0,0,0|1,0,1]=4 86 B7R0.5 C/C=C\C(=O)C(=O)O OXP [1,1,0,0,0,0|0,0,1]=3 87 B7R0.5 CCCC(=O)C(=O)O 69O [1,1,0,0,0,0|0,0,1]=3 88 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [1,1,0,0,0,0|0,0,2]=4 89 B7R0.5 CCC[C@@H](C(=O)O)N BTA [1,1,0,0,0,0|0,0,2]=4 90 B7R0.5 CCC[C@@H](C(=O)O)N NVA [1,1,0,0,0,0|0,0,2]=4 91 B7R0.5 CCC[C@@H](C(=O)O)N RON [1,1,0,0,0,0|0,0,2]=4 92 B7R0.5 CCS[C@@H](C(=O)O)N GSC [1,1,0,0,0,0|1,0,1]=4 93 B7R0.5 CS/C=C(/C(=O)O)\O DEI [1,1,0,0,0,0|1,0,0]=3 94 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,0,0,1,0|0,0,1]=3 95 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,0,0,1,0|1,0,0]=3 96 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,1,0|1,0,0]=3 97 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,1,0|1,0,0]=3 98 B7R0.9 CC(C)OP(=O)(O)O ISP [0,1,0,0,1,0|2,0,0]=4 99 B7R0.9 CC(C)OP(=O)(O)O MIP [0,1,0,0,1,0|2,0,0]=4 100 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,1,0,0,1,0|1,0,1]=4 101 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,1,0|0,0,0]=2 102 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,1,0|1,0,1]=4 103 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,0,0,1,0|1,0,1]=4 104 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,0,0,1,0|0,0,1]=3 105 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,0,0,1,0|0,0,1]=3 106 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,0,0,1,0|0,0,1]=3 107 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,0,0,1,0|0,0,1]=3 108 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,0,0,1,0|0,0,2]=4 109 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,0,0,1,0|0,0,2]=4 110 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,0,0,1,0|0,0,1]=3 111 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,0,0,1,0|0,0,1]=3 112 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,1,0,0,1,0|1,0,1]=4 113 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,1,0,0,1,0|1,0,1]=4 114 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,1,0,0,1,0|1,0,1]=4 115 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,1,0,0,1,0|1,0,1]=4 116 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,1,0,0,1,0|1,0,1]=4 117 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,1,0,0,1,0|1,0,1]=4 118 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,1,0,0,1,0|1,0,1]=4 119 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,1,0,0,1,0|1,0,1]=4 120 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,1,0,0,1,0|1,0,1]=4 121 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,1,0,0,1,0|1,0,1]=4 122 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,1,0,0,1,0|1,0,1]=4 123 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,1,0,0,1,0|1,0,1]=4 124 B7R0.16 C\C(=C(/C(=O)O)\N)\O MOZ [0,1,0,0,1,0|1,0,1]=4 125 B7R0.16 C\C(=C(/C(=O)O)\N)\S BB6 [0,1,0,0,1,0|1,0,1]=4 126 B9R0.1 CC[C@H](C)C\C=C\C(=O)O 39Y [0,1,0,0,0,1|0,0,0]=2 127 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HLX [0,1,0,0,0,1|0,0,2]=4 128 B9R0.7 CC(C)[C@@H](CCC(=O)O)N 0JT [0,1,0,0,0,1|0,0,2]=4 129 B9R0.7 C[C@@H](C(=O)NCC(=O)O)S WJZ [0,1,0,0,0,1|1,0,1]=4 130 B9R0.53 CC(C)C[C@@H](CC(=O)O)N B3L [0,1,0,0,0,1|0,0,2]=4 131 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N KMH [0,1,0,0,0,1|1,0,1]=4 132 B9R0.23 CC(C)C[C@@H](C(=O)CO)N LEX [0,2,0,0,0,0|0,0,2]=4 133 B9R0.23 CC(C)C[C@@H](C(=O)NO)N LNO [0,2,0,0,0,0|0,0,2]=4 134 B9R0.23 CC(C)C[C@@H](C(=O)OC)N MLL [0,2,0,0,0,0|0,0,2]=4 135 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N BIL [0,2,0,0,0,0|0,0,2]=4 136 B9R0.42 C[C@@H](C[C@@H](C(=O)O)N)CF LEF [0,2,0,0,0,0|0,0,2]=4 137 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N 2ML [0,2,0,0,0,0|0,0,2]=4 138 B9R0.39 CC(C)C[C@@H](C(=O)O)NC MLE [0,2,0,0,0,0|0,0,2]=4 139 B9R0.39 CC(C)C[C@H](C(=O)O)NC MLU [0,2,0,0,0,0|0,0,2]=4 140 B9R0.39 CC(C)C[C@H](CN)C(=O)O 4L8 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.39 CC(C)C[C@H](CS)C(=O)O SLE [0,2,0,0,0,0|0,0,2]=4 142 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N 0JY [0,2,0,0,0,0|0,0,2]=4 143 B9R0.79 CC(C)N(C(=O)C(=O)O)O HIO [0,2,0,0,0,0|1,0,0]=3 144 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O HLU [0,2,0,0,0,0|0,0,2]=4 145 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O HL2 [0,2,0,0,0,0|0,0,2]=4 146 B9R0.79 C[C@H]([C@@H](C(C)C)O)C(=O)O 28H [0,2,0,0,0,0|0,0,2]=4 147 B7R1.3 C1CC=CC(=O)C1 A2Q [1,0,0,1,0,0|1,0,0]=3 148 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.18 C1CN[C@@H]1C(=O)O 02A [1,0,0,1,0,0|1,0,1]=4 150 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O MP8 [0,0,0,1,0,1|0,0,2]=4 151 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,0,0,1,0,1|1,0,1]=4 152 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,0,0,1,0,1|1,0,1]=4 153 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,0,0,1,0,1|1,0,1]=4 154 B9R1.85 C1CC1CNCC(=O)O NMC [0,0,0,1,0,1|0,0,2]=4 155 B9R1.69 Cc1ccc(cc1C)O 2MP [0,1,0,1,0,0|1,0,1]=4 156 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,0,0,0,2,0|2,0,0]=4 157 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,2,0|1,0,1]=4 158 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,2,0|2,0,0]=4 159 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,2,0|1,0,0]=3 160 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,2,0|0,0,0]=2 161 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,2,0|0,0,0]=2 162 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,0,0,2,0|1,0,1]=4 163 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,2,0|2,0,0]=4 164 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,2,0|2,0,0]=4 165 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,2,0|2,0,0]=4 166 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,2,0|1,0,0]=3 167 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,2,0|1,0,0]=3 168 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,2,0|1,0,0]=3 169 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,2,0|1,0,0]=3 170 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,2,0|1,0,0]=3 171 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,2,0|1,0,1]=4 172 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,2,0|1,0,1]=4 173 B5R0.5 C[C@@H](C(=S)O)N ALT [0,0,0,0,2,0|1,1,0]=4 174 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,2,0|2,0,0]=4 175 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,2,0|1,0,0]=3 176 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,2,0|1,0,0]=3 177 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,2,0|1,0,0]=3 178 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,2,0|1,0,0]=3 179 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,0,0,0,2,0|2,0,0]=4 180 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,0,0,0,0,2|0,0,2]=4