0 B7R0.16 B([C@H](C(C)C)N)(O)O B2V [0,0,0,0,0,0|2,0,2]=4 1 B7R0.16 C(=O)(C(=O)O)C(=O)O MAK [0,0,0,0,0,0|2,0,1]=3 2 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,0,0,0,0,0|2,0,2]=4 3 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,0,0,0,0,0|0,0,0]=0 4 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,0,0,0,0,0|2,0,1]=3 5 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,0,0,0,0,0|2,0,1]=3 6 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,0,0,0,0,0|1,0,1]=2 7 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,0,0,0,0,0|1,0,1]=2 8 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,0,0,0,0,0|0,0,2]=2 9 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,0,0,0,0,0|1,0,1]=2 10 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,0,0,0,0,0|1,0,2]=3 12 B7R0.16 CC(C)[C@@H](C(O)O)N VAI [0,0,0,0,0,0|1,0,3]=4 13 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,0,0,0,0,0|1,0,1]=2 14 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,0,0,0,0,0|0,0,2]=2 15 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,0,0,0,0,0|2,0,1]=3 16 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,0,0,0,0,0|2,0,1]=3 17 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,0,0,0,0,0|2,0,1]=3 18 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 9AT [0,0,0,0,0,0|3,0,1]=4 19 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,0,0,0,0,0|2,0,1]=3 20 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,0,0,0,0,0|2,0,1]=3 21 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,0,0,0,0,0|2,0,1]=3 22 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,0,0,0,0,0|2,0,1]=3 25 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW [0,0,0,0,0,0|2,0,2]=4 29 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,0,0,0,0,0|2,0,1]=3 31 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,0,0,0,0,0|2,0,1]=3 32 B7R0.16 C\C(=C(/C(=O)O)\N)\O MOZ [0,0,0,0,0,0|2,0,1]=3 33 B7R0.16 C\C(=C(/C(=O)O)\N)\S BB6 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.16 [C@H](C(O)O)(C(=O)O)N DDZ [0,0,0,0,0,0|3,0,1]=4 35 B6R0.2 CC(=O)CC(=O)O AAE [1,0,0,0,0,0|1,0,2]=4 36 B6R0.2 CC(=O)CC(=O)O LIN [1,0,0,0,0,0|1,0,2]=4 37 B6R0.2 CC(C)CC(=O)O IVA [1,0,0,0,0,0|0,0,1]=2 38 B6R0.2 CC(C)SC(=N)N IPU [1,0,0,0,0,0|3,0,0]=4 39 B6R0.2 CN(C)CC(=O)O DMG [1,0,0,0,0,0|1,0,1]=3 40 B6R0.2 CS(C)CC(=O)O 313 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,0,0,0,0,0|1,0,1]=3 42 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,0,0,0,0,0|1,0,1]=3 43 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,0,0,0,0,0|1,0,1]=3 44 B6R0.3 C(=C(/C(=O)O)\N)\S BB9 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.3 C(=C(\C(=O)O)/N)/[SeH] 30F [1,0,0,0,0,0|2,0,1]=4 46 B6R0.3 C(C(=O)C(=O)O)Br BPV [1,0,0,0,0,0|1,0,0]=2 47 B6R0.3 C(C(=O)C(=O)O)F 65S [1,0,0,0,0,0|1,0,0]=2 48 B6R0.3 C(C(=O)C(=O)O)O 3PY [1,0,0,0,0,0|1,0,0]=2 49 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.3 C([C@@H](C(=O)O)N)N DPP [1,0,0,0,0,0|2,0,1]=4 51 B6R0.3 C([C@@H](C(=O)O)N)O SEG [1,0,0,0,0,0|2,0,1]=4 52 B6R0.3 C([C@@H](C(=O)O)N)O SER [1,0,0,0,0,0|2,0,1]=4 53 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [1,0,0,0,0,0|2,0,1]=4 54 B6R0.3 C([C@@H](C(=O)O)N)S BTC [1,0,0,0,0,0|2,0,1]=4 55 B6R0.3 C([C@@H](C(=O)O)N)S CYS [1,0,0,0,0,0|2,0,1]=4 56 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [1,0,0,0,0,0|2,0,1]=4 57 B6R0.3 C([C@@H](C(=O)O)N)S FCY [1,0,0,0,0,0|2,0,1]=4 58 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [1,0,0,0,0,0|2,0,1]=4 59 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [1,0,0,0,0,0|2,0,1]=4 61 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [1,0,0,0,0,0|2,0,1]=4 65 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [1,0,0,0,0,0|2,0,1]=4 66 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [1,0,0,0,0,0|2,0,1]=4 68 B6R0.3 C([C@H](C(=O)O)N)N 2RA [1,0,0,0,0,0|2,0,1]=4 69 B6R0.3 C([C@H](C(=O)O)N)O DSN [1,0,0,0,0,0|2,0,1]=4 70 B6R0.3 C([C@H](C(=O)O)N)S DCY [1,0,0,0,0,0|2,0,1]=4 71 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [1,0,0,0,0,0|1,0,2]=4 72 B6R0.3 C([C@H](C(=O)O)O)O DGY [1,0,0,0,0,0|1,0,2]=4 73 B6R0.3 C/C=C(/C(=O)O)\N DBU [1,0,0,0,0,0|1,0,1]=3 74 B6R0.3 C=C(C[SeH])C(=O)O CC4 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.3 CC(C)[C@@H](CO)N VOL [1,0,0,0,0,0|1,0,2]=4 76 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [1,0,0,0,0,0|1,0,2]=4 77 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.3 CCC(=O)C(=O)O 2KT [1,0,0,0,0,0|0,0,0]=1 79 B6R0.3 CCC(C(=O)O)N AA3 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [1,0,0,0,0,0|1,0,1]=3 81 B6R0.3 CC[C@@H](C(=O)O)N AB7 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.3 CC[C@@H](C(=O)O)N ABA [1,0,0,0,0,0|1,0,1]=3 83 B6R0.3 CC[C@@H](C(=O)O)N UNK [1,0,0,0,0,0|1,0,1]=3 84 B6R0.3 CC[C@H](C(=O)O)N DBB [1,0,0,0,0,0|1,0,1]=3 85 B6R0.3 CC[C@H](C)C(=O)O SMB [1,0,0,0,0,0|1,0,1]=3 86 B6R0.3 CNC(=C)C(=O)O DAM [1,0,0,0,0,0|2,0,0]=3 87 B6R0.3 C[C@@H](C(=O)NC)N 0NC [1,0,0,0,0,0|3,0,0]=4 88 B6R0.3 C[C@@H](C(=O)NO)N HMA [1,0,0,0,0,0|2,0,0]=3 89 B6R0.3 C[C@@H](C(=O)O)NC MAA [1,0,0,0,0,0|2,0,1]=4 90 B6R0.3 C[C@@H](C(=O)OC)N MA [1,0,0,0,0,0|3,0,0]=4 91 B6R0.3 C[C@@H](CN)C(=O)O 62H [1,0,0,0,0,0|2,0,1]=4 92 B6R0.3 C[C@H](C(=O)O)NC 33X [1,0,0,0,0,0|2,0,1]=4 93 B6R0.3 C[C@H](CO)C(=O)O HIU [1,0,0,0,0,0|2,0,1]=4 94 B6R0.3 C[C@H](CS)C(=O)O CC8 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.3 C\C=C(\C)/C(=O)O MB8 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.3 N=C(/CO)\C(=O)O MH6 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.3 N=C(/CO)\C(=O)O SRI [1,0,0,0,0,0|2,0,0]=3 98 B8R0.2 C([C@@H]([C@H](C(=O)O)O)O)O LTH [0,1,0,0,0,0|1,0,2]=4 99 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)Cl CTH [0,1,0,0,0,0|2,0,1]=4 100 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)O TH6 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.2 C([C@H]([C@H](C(=O)O)O)O)N PRW [0,1,0,0,0,0|1,0,2]=4 102 B8R0.2 C([C@H]([C@H](C(=O)O)O)O)O EAX [0,1,0,0,0,0|1,0,2]=4 103 B8R0.2 CC(C)[C@@H](C(=O)OC)N 0AA [0,1,0,0,0,0|1,0,1]=3 104 B8R0.2 CC(C)[C@@H](C(=O)OC)N VME [0,1,0,0,0,0|1,0,1]=3 105 B8R0.2 CC(C)[C@H](C(=O)NO)N HAV [0,1,0,0,0,0|1,0,1]=3 106 B8R0.2 CC([C@H](C(=O)O)N)OC XDT [0,1,0,0,0,0|1,0,1]=3 107 B8R0.2 CC([C@H](C(=O)O)N)SC 1ME [0,1,0,0,0,0|1,0,1]=3 108 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N IIL [0,1,0,0,0,0|1,0,1]=3 109 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N DIL [0,1,0,0,0,0|1,0,1]=3 110 B8R0.2 CC[C@H](C)C(=O)C(=O)O 1QQ [0,1,0,0,0,0|0,0,0]=1 111 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE [0,1,0,0,0,0|1,0,1]=3 112 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH [0,1,0,0,0,0|1,0,1]=3 113 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)O OIL [0,1,0,0,0,0|0,0,2]=3 114 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H [0,1,0,0,0,0|1,0,1]=3 115 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW [0,1,0,0,0,0|1,0,2]=4 117 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N 28J [0,1,0,0,0,0|1,0,1]=3 118 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)O VAH [0,1,0,0,0,0|2,0,1]=4 119 B8R0.2 C[C@H](C=O)[C@@H](C(=O)O)N LVN [0,1,0,0,0,0|1,0,2]=4 120 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC OLT [0,1,0,0,0,0|1,0,1]=3 121 B8R0.18 CC(C)[C@@H](C(=O)N)NC MNV [0,1,0,0,0,0|2,0,1]=4 122 B8R0.18 CC(C)[C@@H](C(=O)O)NC MVA [0,1,0,0,0,0|1,0,1]=3 123 B8R0.18 CC(C)[C@H](C(=O)O)NC MV9 [0,1,0,0,0,0|1,0,1]=3 124 B8R0.18 C[C@H]([C@@H](C(=O)O)NC)O NZC [0,1,0,0,0,0|2,0,1]=4 125 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N BUG [0,1,0,0,0,0|1,0,1]=3 126 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N HV5 [0,1,0,0,0,0|1,0,1]=3 127 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TBG [0,1,0,0,0,0|1,0,1]=3 128 B8R0.27 CC(C)(C)[C@H](C(=O)O)N TDD [0,1,0,0,0,0|1,0,1]=3 129 B8R0.27 CC(C)([C@@H](C(=O)O)N)O HVA [0,1,0,0,0,0|1,0,1]=3 130 B8R0.27 CC(C)([C@@H](C(=O)O)N)S LE1 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.27 CC(C)([C@@H](C(=O)O)O)O 89V [0,1,0,0,0,0|0,0,2]=3 132 B8R0.27 CC(C)([C@H](C(=O)O)N)O DHV [0,1,0,0,0,0|1,0,1]=3 133 B8R0.27 CC(C)([C@H](C(=O)O)N)S LEI [0,1,0,0,0,0|1,0,1]=3 134 B8R0.27 CC(C)[C@H](N)P(=O)(O)O PVA [0,1,0,0,0,0|2,0,1]=4 135 B8R0.37 C[C@@H]([C@@](C)(C(=O)O)O)O QFH [0,1,0,0,0,0|1,0,2]=4 136 B8R0.37 C[C@H]([C@@](C)(C(=O)O)O)O 23B [0,1,0,0,0,0|1,0,2]=4 137 B8R0.37 C[C@H]([C@](C)(C(=O)O)O)O WTZ [0,1,0,0,0,0|1,0,2]=4 138 B8R0.23 C(C(=O)C(=O)O)C(=O)[O-] OAA [0,0,0,0,0,1|2,0,1]=4 139 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,0,0,0,0,1|0,0,0]=1 140 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,0,0,0,0,1|1,0,1]=3 141 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,0,0,0,0,1|2,0,1]=4 142 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,0,0,0,0,1|2,0,1]=4 143 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,0,0,0,0,1|2,0,1]=4 144 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,0,0,0,0,1|1,0,1]=3 145 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,0,0,0,0,1|1,0,1]=3 146 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,0,0,0,0,1|1,0,1]=3 147 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,0,0,0,0,1|0,0,2]=3 148 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,0,0,0,0,1|0,0,2]=3 149 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,0,0,0,0,1|1,0,1]=3 150 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,0,0,0,0,1|1,0,2]=4 151 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,0,0,0,0,1|1,0,2]=4 152 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,0,0,0,0,1|1,0,1]=3 153 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,0,0,0,0,1|0,0,2]=3 154 B8R0.23 CC(C)NC(=O)C(=O)O 40E [0,0,0,0,0,1|0,0,0]=1 155 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,0,0,0,0,1|1,0,1]=3 156 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,0,0,0,0,1|1,0,1]=3 157 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,0,0,0,0,1|2,0,1]=4 158 B5R0.1 C(CN)C(=O)O BAL [2,0,0,0,0,0|1,0,1]=4 159 B5R0.1 C(CO)C(=O)O 3OH [2,0,0,0,0,0|1,0,1]=4 160 B5R0.1 C(CS)C(=O)O MPT [2,0,0,0,0,0|1,0,1]=4 161 B5R0.1 C(C[SeH])C(=O)O SLP [2,0,0,0,0,0|1,0,1]=4 162 B5R0.1 CC(C)CCO IP3 [2,0,0,0,0,0|0,0,2]=4 163 B5R0.1 CC=CC(=O)O BEO [2,0,0,0,0,0|0,0,1]=3 164 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|1,0,1]=4 165 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|1,0,1]=4 166 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|0,0,1]=3 167 B5R0.1 CCOC(=O)C EEE [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 CCOC(=O)O 01F [2,0,0,0,0,0|1,0,0]=3 169 B5R0.1 CCO[P@H](=O)O ATJ [2,0,0,0,0,0|2,0,0]=4 170 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|1,0,1]=4 172 B5R0.1 C[C@H](CC=O)O 5KO [2,0,0,0,0,0|1,0,1]=4 173 B5R0.3 C(C(=O)CO)O 2HA [2,0,0,0,0,0|1,0,1]=4 174 B5R0.5 C(=O)(C(=O)O)N OXM [2,0,0,0,0,0|1,0,0]=3 175 B5R0.5 C(=O)(C(=O)O)O OXD [2,0,0,0,0,0|1,0,0]=3 176 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [2,0,0,0,0,0|1,0,1]=4 177 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.5 C=C(C(=O)O)N DHA [2,0,0,0,0,0|1,0,1]=4 179 B5R0.5 CC(=O)C(=O)N PYM [2,0,0,0,0,0|1,0,0]=3 180 B5R0.5 CC(=O)C(=O)O PYR [2,0,0,0,0,0|0,0,0]=2 181 B5R0.5 CC(=O)N(C)C 5Y9 [2,0,0,0,0,0|1,0,1]=4 182 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [2,0,0,0,0,0|1,0,1]=4 183 B5R0.5 CC(C)C(=O)N IBO [2,0,0,0,0,0|1,0,0]=3 184 B5R0.5 CC(C)C(=O)O ALQ [2,0,0,0,0,0|0,0,0]=2 185 B5R0.5 CC(C)C(=O)O ISB [2,0,0,0,0,0|0,0,0]=2 186 B5R0.5 CC(C)[N+](=O)[O-] NIS [2,0,0,0,0,0|1,0,1]=4 187 B5R0.5 C[C@@H](C(=O)C)N ALM [2,0,0,0,0,0|1,0,1]=4 188 B5R0.5 C[C@@H](C(=O)C)O HBS [2,0,0,0,0,0|1,0,1]=4 189 B5R0.5 C[C@@H](C(=O)N)N 66N [2,0,0,0,0,0|2,0,0]=4 190 B5R0.5 C[C@@H](C(=O)O)Cl CNR [2,0,0,0,0,0|1,0,0]=3 191 B5R0.5 C[C@@H](C(=O)O)N ALA [2,0,0,0,0,0|1,0,0]=3 192 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [2,0,0,0,0,0|1,0,0]=3 193 B5R0.5 C[C@@H](C(=O)O)O 2OP [2,0,0,0,0,0|1,0,0]=3 194 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [2,0,0,0,0,0|1,0,0]=3 195 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [2,0,0,0,0,0|1,0,1]=4 196 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [2,0,0,0,0,0|1,0,1]=4 197 B5R0.5 C[C@@H](C(=S)O)N ALT [2,0,0,0,0,0|1,1,0]=4 198 B5R0.5 C[C@H](C(=O)C)O HBR [2,0,0,0,0,0|1,0,1]=4 199 B5R0.5 C[C@H](C(=O)O)F 4LT [2,0,0,0,0,0|1,0,0]=3 200 B5R0.5 C[C@H](C(=O)O)N DAL [2,0,0,0,0,0|1,0,0]=3 201 B5R0.5 C[C@H](C(=O)O)O DLA [2,0,0,0,0,0|1,0,0]=3 202 B5R0.5 C[C@H](C(=O)O)O LAC [2,0,0,0,0,0|1,0,0]=3 203 B5R0.5 [C@H](C(=O)O)(N)O HGY [2,0,0,0,0,0|2,0,0]=4 204 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [1,1,0,0,0,0|1,0,1]=4 205 B7R0.2 C([C@H](CO)N)C(=O)O B3S [1,1,0,0,0,0|1,0,1]=4 206 B7R0.2 C([C@H](CS)N)C(=O)O BCX [1,1,0,0,0,0|1,0,1]=4 207 B7R0.2 CC(C)NC(=N)NO IHG [1,1,0,0,0,0|2,0,0]=4 208 B7R0.9 CC(C)(C)CC(=O)O DTG [1,1,0,0,0,0|0,0,1]=3 209 B7R0.9 CC(C)(C)NC(=O)O TBB [1,1,0,0,0,0|1,0,0]=3 210 B7R0.9 CC(C)(C)OC(=O)O BOC [1,1,0,0,0,0|1,0,0]=3 211 B7R0.9 CC(C)(C)OC(=O)O OTB [1,1,0,0,0,0|1,0,0]=3 212 B7R0.9 CC(C)OP(=O)(O)O ISP [1,1,0,0,0,0|2,0,0]=4 213 B7R0.9 CC(C)OP(=O)(O)O MIP [1,1,0,0,0,0|2,0,0]=4 214 B7R0.9 C[N+](C)(C)CC(=O)O BET [1,1,0,0,0,0|1,0,1]=4 215 B7R0.5 C(CN)[C@@H](C(=O)O)N DAB [1,1,0,0,0,0|1,0,1]=4 216 B7R0.5 C(CN)[C@H](C(=O)O)N 4FO [1,1,0,0,0,0|1,0,1]=4 217 B7R0.5 C(CN)[C@H](C(=O)O)O 42B [1,1,0,0,0,0|0,0,2]=4 218 B7R0.5 C(CO)C(=O)C(=O)O VGX [1,1,0,0,0,0|0,0,0]=2 219 B7R0.5 C(CO)[C@@H](C(=O)O)N HSE [1,1,0,0,0,0|1,0,1]=4 220 B7R0.5 C(CS)[C@@H](C(=O)O)N HCS [1,1,0,0,0,0|1,0,1]=4 221 B7R0.5 C(CS)[C@H](C(=O)O)N KCY [1,1,0,0,0,0|1,0,1]=4 222 B7R0.5 C/C=C\C(=O)C(=O)O OXP [1,1,0,0,0,0|0,0,1]=3 223 B7R0.5 CCCC(=O)C(=O)O 69O [1,1,0,0,0,0|0,0,0]=2 224 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [1,1,0,0,0,0|1,0,1]=4 225 B7R0.5 CCC[C@@H](C(=O)O)N BTA [1,1,0,0,0,0|1,0,1]=4 226 B7R0.5 CCC[C@@H](C(=O)O)N NVA [1,1,0,0,0,0|1,0,1]=4 227 B7R0.5 CCC[C@@H](C(=O)O)N RON [1,1,0,0,0,0|1,0,1]=4 228 B7R0.5 CCS[C@@H](C(=O)O)N GSC [1,1,0,0,0,0|1,0,1]=4 229 B7R0.5 COC[C@@H](C(=O)O)N 7C9 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.5 CS/C=C(/C(=O)O)\O DEI [1,1,0,0,0,0|0,0,2]=4 231 B7R0.5 CSC[C@@H](C(=O)O)N CYM [1,1,0,0,0,0|1,0,1]=4 232 B7R0.5 CSC[C@@H](C(=O)O)N SMC [1,1,0,0,0,0|1,0,1]=4 233 B7R0.5 CSC[C@H](C(=O)O)N 060 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.10 C([C@@H](C(=O)CO)O)O LER [1,1,0,0,0,0|1,0,1]=4 235 B7R0.10 C=CC(=O)[C@H](CO)N KIK [1,1,0,0,0,0|2,0,0]=4 236 B7R0.10 COC(=O)C(=C)CO 23W [1,1,0,0,0,0|2,0,0]=4 237 B7R0.13 CC[C@](C)(C(=O)O)N DIV [1,1,0,0,0,0|1,0,1]=4 238 B7R0.14 CC(C)(C)C(=O)NC BAE [1,1,0,0,0,0|2,0,0]=4 239 B7R0.15 C/C=C(/C(=O)O)\NC MDH [1,1,0,0,0,0|1,0,1]=4 240 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N 2ML [0,1,0,0,0,1|1,0,1]=4 241 B9R0.23 CC(C)C[C@@H](C(=O)CO)N LEX [0,1,0,0,0,1|1,0,1]=4 242 B9R0.23 CC(C)C[C@@H](C(=O)NO)N LNO [0,1,0,0,0,1|1,0,1]=4 243 B9R0.23 CC(C)C[C@@H](C(=O)OC)N MLL [0,1,0,0,0,1|1,0,1]=4 244 B9R0.23 CC[C@H](C)[C@@H](CC(=O)O)N BIL [0,1,0,0,0,1|1,0,1]=4 245 B9R0.39 CC(C)C[C@@H](C(=O)O)NC MLE [0,1,0,0,0,1|1,0,1]=4 246 B9R0.39 CC(C)C[C@H](C(=O)O)NC MLU [0,1,0,0,0,1|1,0,1]=4 247 B9R0.39 CC(C)C[C@H](CN)C(=O)O 4L8 [0,1,0,0,0,1|1,0,1]=4 248 B9R0.39 CC(C)C[C@H](CS)C(=O)O SLE [0,1,0,0,0,1|0,1,1]=4 249 B9R0.42 C([C@@H](C=O)O)C(=O)C(=O)O GXP [0,1,0,0,0,1|1,0,1]=4 250 B9R0.42 C([C@H](C=O)O)C(=O)C(=O)O GXS [0,1,0,0,0,1|1,0,1]=4 251 B9R0.42 C[C@@H](C[C@@H](C(=O)O)N)CF LEF [0,1,0,0,0,1|1,0,1]=4 252 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N 0JY [0,1,0,0,0,1|1,0,1]=4 253 B9R0.79 CC(C)N(C(=O)C(=O)O)O HIO [0,1,0,0,0,1|0,0,0]=2 254 B9R0.79 CC(C)[C@@H]([C@@H](C(=O)O)N)O HLU [0,1,0,0,0,1|0,0,2]=4 255 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O HL2 [0,1,0,0,0,1|0,0,2]=4 256 B9R0.79 C[C@H]([C@@H](C(C)C)O)C(=O)O 28H [0,1,0,0,0,1|0,0,2]=4 257 B9R0.6 C[C@@H](CCBr)[C@@H](C(=O)O)N BIU [0,2,0,0,0,0|1,0,1]=4 258 B9R0.6 C[C@H](CCN)[C@H](C(=O)O)N MD0 [0,2,0,0,0,0|1,0,1]=4 259 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N ILM [0,2,0,0,0,0|1,0,1]=4 260 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NC IML [0,2,0,0,0,0|1,0,1]=4 261 B9R0.29 C[C@H]([C@@H](C(=O)O)NC)OC OTH [0,2,0,0,0,0|1,0,1]=4 262 B9R0.32 CC(C)(CO)C(=O)C(=O)O KPL [0,2,0,0,0,0|0,0,0]=2 263 B9R0.32 CCC(C)(C)[C@@H](C(=O)O)N I2M [0,2,0,0,0,0|1,0,1]=4 264 B9R0.32 CC[C@](C)([C@@H](C(=O)O)N)O 0E5 [0,2,0,0,0,0|1,0,1]=4 265 B9R0.32 CC[C@](C)([C@H](C(=O)O)O)O DMV [0,2,0,0,0,0|0,0,2]=4 266 B9R0.33 CC(C)[C@@H](C(=O)O)NC=O FVA [0,2,0,0,0,0|0,0,1]=3 267 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [1,0,0,1,0,0|1,0,1]=4 268 B7R1.4 C1COC(=O)[C@H]1N HSL [1,0,0,1,0,0|1,0,1]=4 269 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [1,0,0,1,0,0|2,0,0]=4 270 B7R1.4 CN1CCOC1=O 3MO [1,0,0,1,0,0|2,0,0]=4 271 B7R1.18 C1CN[C@@H]1C(=O)O 02A [1,0,0,1,0,0|1,0,1]=4 272 B7R1.19 C1CC1(C(=O)O)N 1AC [1,0,0,1,0,0|1,0,1]=4 273 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O MP8 [0,0,0,1,0,1|1,0,1]=4 274 B9R1.69 C1[C@@H](C(=O)NC(=O)N1)I IDH [0,0,0,1,0,1|2,0,0]=4 275 B9R1.37 C[C@@H]1C(=O)C(=C(O1)C)O 1XX [0,1,0,1,0,0|2,0,0]=4 276 B9R1.130 C[C@H]1C[C@]1(C(=O)O)NC CPC [0,1,0,1,0,0|1,0,1]=4 277 B7R0.6 CC(C)CCC(=O)O 4MV [1,0,0,0,0,1|0,0,1]=3 278 B7R0.6 CC(C)COC(=O)O IBU [1,0,0,0,0,1|0,0,1]=3 279 B7R0.6 CC(C)NCC(=O)O IPG [1,0,0,0,0,1|0,0,1]=3 280 B7R0.6 CS(C)CCC(=O)O DQY [1,0,0,0,0,1|1,0,1]=4 281 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [1,0,0,0,0,1|1,0,1]=4 282 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HLX [0,0,0,0,0,2|1,0,1]=4 283 B9R0.7 CC(C)[C@@H](CCC(=O)O)N 0JT [0,0,0,0,0,2|1,0,1]=4 284 B9R0.7 C[C@@H](C(=O)NCC(=O)O)S WJZ [0,0,0,0,0,2|1,0,0]=3 285 B9R0.53 CC(C)C[C@@H](CC(=O)O)N B3L [0,0,0,0,0,2|1,0,1]=4 286 B9R0.53 C[C@@H](CC(=O)CC(=O)O)N KMH [0,0,0,0,0,2|1,0,0]=3