0 B5R0.5 B([C@H](C)N)(O)O B2A [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 C(=O)(C(=O)O)N OXM [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 C(=O)(C(=O)O)O OXD [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,0,0,0,0,0|1,0,3]=4 4 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.5 C=C(C(=O)N)N PYT [0,0,0,0,0,0|2,0,2]=4 6 B5R0.5 C=C(C(=O)O)N DHA [0,0,0,0,0,0|1,0,2]=3 7 B5R0.5 CC(=O)C(=O)N PYM [0,0,0,0,0,0|1,0,2]=3 8 B5R0.5 CC(=O)C(=O)O PYR [0,0,0,0,0,0|0,0,2]=2 9 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,0,0,0,0,0|1,0,2]=3 11 B5R0.5 CC(C)C(=O)N IBO [0,0,0,0,0,0|2,0,0]=2 12 B5R0.5 CC(C)C(=O)O ALQ [0,0,0,0,0,0|1,0,0]=1 13 B5R0.5 CC(C)C(=O)O ISB [0,0,0,0,0,0|1,0,0]=1 14 B5R0.5 CC(C)[C@@H](C)N CDE [0,0,0,0,0,0|3,0,1]=4 15 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,0,0,0,0|2,0,1]=3 16 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,0,0,0,0|2,0,0]=2 17 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,0,0,0,0|2,0,0]=2 19 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,0,0,0,0|1,0,0]=1 20 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,0,0,0,0|1,0,0]=1 21 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,0,0,0,0|1,0,0]=1 22 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,0,0,0,0|0,0,0]=0 23 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,0,0,0,0|1,0,0]=1 24 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,0,0,0,0|1,0,1]=2 25 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,0,0,0,0|1,0,1]=2 26 B5R0.5 C[C@@H](C(=S)O)N ALT [0,0,0,0,0,0|1,1,0]=2 27 B5R0.5 C[C@@H](C(O)O)N ALV [0,0,0,0,0,0|1,0,2]=3 28 B5R0.5 C[C@@H]([C@H](C)O)O BUD [0,0,0,0,0,0|1,0,1]=2 29 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,0,0,0,0|1,0,0]=1 30 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,0,0,0,0|1,0,0]=1 31 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,0,0,0,0|1,0,0]=1 32 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,0,0,0,0|0,0,0]=0 33 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,0,0,0,0|0,0,0]=0 34 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [0,0,0,0,0,0|1,0,1]=2 35 B5R0.5 C[C@H]([C@H](C)O)O BU9 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,0,0,0,0,0|1,0,0]=1 37 B4R0.1 B(CC)(O)O 3QD [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 C(=N)(N)NO HGU [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C(=O)(N)NO NHY [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 C(=O)C(=O)O GLV [1,0,0,0,0,0|0,0,2]=3 41 B4R0.1 C(C(=O)N)F FTM [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 C(C(=O)N)N GM1 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 C(C(=O)O)Br BRM [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 C(C(=O)O)Br BXA [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 C(C(=O)O)Cl R3W [1,0,0,0,0,0|1,0,0]=2 46 B4R0.1 C(C(=O)O)F FAH [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 C(C(=O)O)I 04E [1,0,0,0,0,0|1,0,0]=2 48 B4R0.1 C(C(=O)O)N GLY [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 C(C(=O)O)N GLY_LFOH [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 C(C(=O)O)O GOA [1,0,0,0,0,0|0,0,0]=1 51 B4R0.1 C(C(=O)O)S MCR [1,0,0,0,0,0|0,1,0]=2 52 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [1,0,0,0,0,0|1,0,0]=2 53 B4R0.1 C(C(=O)S)N GL3 [1,0,0,0,0,0|1,1,0]=3 54 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 C=C(CO)Br BRP [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 C=CC(=O)N 1HC [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 C=CC(=O)O AKR [1,0,0,0,0,0|0,0,2]=3 59 B4R0.1 CC(=C)C=C 61G [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 CC(=C)CN IRS [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 CC(=O)C=O PVL [1,0,0,0,0,0|0,0,2]=3 62 B4R0.1 CC(=O)CCl ATO [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 CC(=O)CN GCM [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CC(=O)CN GLM [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 CC(=O)CO 4Y8 [1,0,0,0,0,0|1,0,0]=2 66 B4R0.1 CC(=O)NC NML [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 CC(=O)NO HAE [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 CC(=O)OO F50 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 CC(=O)O[Hg+] MAC [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 CC(C)C=O 5OZ [1,0,0,0,0,0|1,0,0]=2 71 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 CC=C(C)C 2MB [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 CCC(=O)N ROP [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 CCC(=O)O PPI [1,0,0,0,0,0|0,0,0]=1 75 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 CC[N+](=O)[O-] NIE [1,0,0,0,0,0|1,0,1]=3 77 B4R0.1 CN(C)C=O DMF [1,0,0,0,0,0|2,0,0]=3 78 B4R0.1 CN(C)[Zn]O DOZ [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 CNC(=O)N NMU [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 CNC(=O)O RGI [1,0,0,0,0,0|1,0,0]=2 81 B4R0.1 COC(=O)O 000 [1,0,0,0,0,0|1,0,0]=2 82 B4R0.1 C[C@@H](C=O)N 5XU [1,0,0,0,0,0|1,0,0]=2 83 B4R0.1 C[C@@H](CBr)O EBH [1,0,0,0,0,0|1,0,1]=3 84 B4R0.1 C[C@@H](CCl)Cl CP2 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 C[C@@H](CO)N 2A1 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 C[C@@H](CO)O PGO [1,0,0,0,0,0|0,0,1]=2 87 B4R0.1 C[C@@H](CO)O PGQ [1,0,0,0,0,0|0,0,1]=2 88 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 C[C@H](CBr)O 1BP [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 C[C@H](CO)N 2A3 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.1 C[C@H](CO)O HP3 [1,0,0,0,0,0|0,0,1]=2 93 B4R0.1 C[C@H](CO)O PGR [1,0,0,0,0,0|0,0,1]=2 94 B4R0.1 C[C@H](C[NH3+])O FOP [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 N=C(\N)/NC MGX [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 O[Mo+4](=O)S[Cu+] CUN [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 O[Mo+6](=O)S[Cu+] CUM [1,0,0,0,0,0|3,0,0]=4 98 B6R0.3 C#C[C@@H](C(=O)O)N LPG [0,1,0,0,0,0|1,0,1]=3 99 B6R0.3 C(=C(/C(=O)O)\N)\S BB9 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.3 C(=C(\C(=O)O)/N)/[SeH] 30F [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 C(C(=O)C(=O)O)Br BPV [0,1,0,0,0,0|0,0,2]=3 102 B6R0.3 C(C(=O)C(=O)O)F 65S [0,1,0,0,0,0|0,0,2]=3 103 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,1,0,0,0,0|0,0,2]=3 104 B6R0.3 C([C@@H](C(=O)N)N)O SET [0,1,0,0,0,0|2,0,0]=3 105 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.3 C([C@@H](C(=O)O)N)N DPP [0,1,0,0,0,0|1,0,0]=2 108 B6R0.3 C([C@@H](C(=O)O)N)O SEG [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 C([C@@H](C(=O)O)N)O SER [0,1,0,0,0,0|1,0,0]=2 110 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [0,1,0,0,0,0|1,0,0]=2 111 B6R0.3 C([C@@H](C(=O)O)N)S BTC [0,1,0,0,0,0|1,0,0]=2 112 B6R0.3 C([C@@H](C(=O)O)N)S CYS [0,1,0,0,0,0|1,0,0]=2 113 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 C([C@@H](C(=O)O)N)S FCY [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [0,1,0,0,0,0|1,0,0]=2 117 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [0,1,0,0,0,0|1,0,0]=2 120 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [0,1,0,0,0,0|1,0,0]=2 123 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.3 C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG [0,1,0,0,0,0|1,0,1]=3 127 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG [0,1,0,0,0,0|1,0,1]=3 128 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW [0,1,0,0,0,0|1,0,1]=3 129 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW [0,1,0,0,0,0|1,0,1]=3 130 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG [0,1,0,0,0,0|1,0,1]=3 131 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG [0,1,0,0,0,0|1,0,1]=3 132 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [0,1,0,0,0,0|1,0,0]=2 133 B6R0.3 C([C@H](C(=O)O)N)N 2RA [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 C([C@H](C(=O)O)N)O DSN [0,1,0,0,0,0|1,0,0]=2 135 B6R0.3 C([C@H](C(=O)O)N)S DCY [0,1,0,0,0,0|1,0,0]=2 136 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [0,1,0,0,0,0|0,0,0]=1 137 B6R0.3 C([C@H](C(=O)O)O)O DGY [0,1,0,0,0,0|0,0,0]=1 138 B6R0.3 C([C@H](C(O)O)O)O 03W [0,1,0,0,0,0|0,0,2]=3 139 B6R0.3 C/C=C(/C(=O)O)\N DBU [0,1,0,0,0,0|1,0,1]=3 140 B6R0.3 C=C(C[SeH])C(=O)O CC4 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.3 C=C[C@@H](C(=O)O)N LVG [0,1,0,0,0,0|1,0,1]=3 142 B6R0.3 C=C[C@H](C(=O)[O-])[NH3+] A3B [0,1,0,0,0,0|1,0,2]=4 143 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.3 CC(C)[C@@H](CO)N VOL [0,1,0,0,0,0|2,0,1]=4 145 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,1,0,0,0,0|2,0,1]=4 146 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.3 CCC(=O)C(=O)O 2KT [0,1,0,0,0,0|0,0,2]=3 148 B6R0.3 CCC(C(=O)O)N AA3 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,1,0,0,0,0|1,0,0]=2 150 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,1,0,0,0,0|1,0,0]=2 152 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,1,0,0,0,0|1,0,0]=2 153 B6R0.3 CC[C@H](C(=O)O)N DBB [0,1,0,0,0,0|1,0,0]=2 154 B6R0.3 CC[C@H](C)C(=O)O SMB [0,1,0,0,0,0|1,0,0]=2 155 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,1,0,0,0,0|2,0,1]=4 156 B6R0.3 CN(C=C)C(=O)O EMM [0,1,0,0,0,0|2,0,0]=3 157 B6R0.3 CNC(=C)C(=O)O DAM [0,1,0,0,0,0|1,0,1]=3 158 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,1,0,0,0,0|2,0,0]=3 159 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,1,0,0,0,0|2,0,0]=3 160 B6R0.3 C[C@@H](C(=O)NO)N HMA [0,1,0,0,0,0|1,0,0]=2 161 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,1,0,0,0,0|1,0,0]=2 162 B6R0.3 C[C@@H](C(=O)OC)N MA [0,1,0,0,0,0|1,0,0]=2 163 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,1,0,0,0,0|1,0,0]=2 164 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,1,0,0,0,0|1,0,1]=3 165 B6R0.3 C[C@H](C(=O)O)NC 33X [0,1,0,0,0,0|1,0,0]=2 166 B6R0.3 C[C@H](CO)C(=O)O HIU [0,1,0,0,0,0|0,0,0]=1 167 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,1,0,0,0,0|0,1,0]=2 168 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,1,0,0,0,0|1,0,1]=3 169 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,1,0,0,0,0|1,1,1]=4 170 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,1,0,0,0,0|1,0,1]=3 171 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [0,1,0,0,0,0|1,0,2]=4 172 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,1,0,0,0,0|1,0,1]=3 173 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.3 C\C=C(\C)/C(=O)O MB8 [0,1,0,0,0,0|1,0,1]=3 175 B6R0.3 N=C(/CO)\C(=O)O MH6 [0,1,0,0,0,0|1,0,1]=3 176 B6R0.3 N=C(/CO)\C(=O)O SRI [0,1,0,0,0,0|1,0,1]=3 177 B6R0.7 C(=O)(C(F)(F)Br)O FPA [0,1,0,0,0,0|2,0,0]=3 178 B6R0.7 C(=O)(C(F)(F)F)O TFA [0,1,0,0,0,0|2,0,0]=3 179 B6R0.7 C(=O)(O)P(=O)(O)O PPF [0,1,0,0,0,0|2,0,0]=3 180 B6R0.7 CC(C)(C(=O)O)Br B2P [0,1,0,0,0,0|1,0,0]=2 181 B6R0.7 CC(C)(C(=O)O)N AIB [0,1,0,0,0,0|1,0,0]=2 182 B6R0.7 CC(C)(C)C(=O)N TAY [0,1,0,0,0,0|2,0,0]=3 183 B6R0.7 CC(C)(C)C(=O)O PIV [0,1,0,0,0,0|1,0,0]=2 184 B6R0.7 CN(C)S(=O)(=O)O MAS [0,1,0,0,0,0|3,0,0]=4 185 B6R0.7 C[C@@H]([C@@](N)(O)[O-])O PY0 [0,1,0,0,0,0|0,0,2]=3 186 B6R0.7 C[C@H](N)P(=O)(O)O GG7 [0,1,0,0,0,0|2,0,0]=3 187 B6R0.2 C(C(=O)N)C(=O)O MLM [0,0,0,0,0,1|1,0,2]=4 188 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,0,0,0,0,1|1,0,2]=4 189 B6R0.2 C(C(=O)O)C(=O)O MLA [0,0,0,0,0,1|1,0,1]=3 190 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,0,1|1,0,2]=4 191 B6R0.2 CC(=O)CC(=O)O AAE [0,0,0,0,0,1|0,0,2]=3 192 B6R0.2 CC(=O)CC(=O)O LIN [0,0,0,0,0,1|0,0,2]=3 193 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,0,1|1,0,0]=2 194 B6R0.2 CC(C)SC(=N)N IPU [0,0,0,0,0,1|3,0,0]=4 195 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,0,1|2,0,0]=3 196 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,0,1|2,0,0]=3 197 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,0,1|1,0,0]=2 198 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,0,1|0,0,0]=1 199 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,0,1|0,0,0]=1 200 B3R0.1 C(=O)C=O GXT [2,0,0,0,0,0|0,0,2]=4 201 B3R0.1 C(C=O)N GLZ [2,0,0,0,0,0|1,0,0]=3 202 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|1,0,1]=4 203 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|1,0,1]=4 204 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|0,0,1]=3 205 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|0,0,1]=3 206 B3R0.1 C(CS)O BME [2,0,0,0,0,0|0,1,1]=4 207 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|0,1,1]=4 208 B3R0.1 C(N)[SH]=O OSM [2,0,0,0,0,0|2,0,0]=4 209 B3R0.1 C([C-]=O)[NH-] GLY_LL [2,0,0,0,0,0|1,0,1]=4 210 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [2,0,0,0,0,0|1,0,1]=4 211 B3R0.1 C=CCN AYE [2,0,0,0,0,0|2,0,0]=4 212 B3R0.1 C=CCO 5VQ [2,0,0,0,0,0|1,0,0]=3 213 B3R0.1 CCC#N CNV [2,0,0,0,0,0|1,0,1]=4 214 B3R0.1 CCC=O CBG [2,0,0,0,0,0|0,0,0]=2 215 B3R0.1 CCC=O PNL [2,0,0,0,0,0|0,0,0]=2 216 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,1]=4 217 B3R0.1 CCCC BUT [2,0,0,0,0,0|1,0,1]=4 218 B3R0.1 CCCC NBU [2,0,0,0,0,0|1,0,1]=4 219 B3R0.1 CCCC SBU [2,0,0,0,0,0|1,0,1]=4 220 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,1]=4 221 B3R0.1 CCCO POL [2,0,0,0,0,0|0,0,1]=3 222 B3R0.1 CCCS XL3 [2,0,0,0,0,0|0,1,1]=4 223 B3R0.1 CCN=O NOE [2,0,0,0,0,0|1,0,0]=3 224 B3R0.1 CCNC ETN [2,0,0,0,0,0|2,0,0]=4 225 B3R0.1 CCOC 2ME [2,0,0,0,0,0|2,0,0]=4 226 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|2,0,0]=4 227 B3R0.1 CNC=S MTF [2,0,0,0,0,0|1,1,0]=4 228 B3R0.1 C\C=C/N AKK [2,0,0,0,0,0|1,0,1]=4 229 B3R0.1 C\C=N\O AXO [2,0,0,0,0,0|1,0,1]=4 230 B3R0.1 N=C\CN AEM [2,0,0,0,0,0|2,0,0]=4 231 B3R0.2 B(O)(O)O BO3 [2,0,0,0,0,0|1,0,1]=4 232 B3R0.2 C(=O)(N)N URE [2,0,0,0,0,0|2,0,0]=4 233 B3R0.2 C(=O)(N)O OUT [2,0,0,0,0,0|1,0,0]=3 234 B3R0.2 C(=O)(O)[O-] BCT [2,0,0,0,0,0|0,0,1]=3 235 B3R0.2 C(=O)([O-])[O-] CO3 [2,0,0,0,0,0|0,0,2]=4 236 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|1,0,1]=4 237 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|1,0,0]=3 238 B3R0.2 CC(=O)N ACM [2,0,0,0,0,0|1,0,0]=3 239 B3R0.2 CC(=O)N CNM [2,0,0,0,0,0|1,0,0]=3 240 B3R0.2 CC(=O)O ACY [2,0,0,0,0,0|0,0,0]=2 241 B3R0.2 CC(=O)O CBM [2,0,0,0,0,0|0,0,0]=2 242 B3R0.2 CC(=O)O CM [2,0,0,0,0,0|0,0,0]=2 243 B3R0.2 CC(=O)[O-] ACT [2,0,0,0,0,0|0,0,1]=3 244 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|0,0,1]=3 245 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|0,0,1]=3 246 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|2,0,0]=4 247 B3R0.2 C[P@H](=O)O MPS [2,0,0,0,0,0|1,0,0]=3 248 B3R0.2 C[P@H](=O)O SOM [2,0,0,0,0,0|1,0,0]=3 249 B3R0.2 C[P@H](=O)[O-] VXA [2,0,0,0,0,0|1,0,1]=4 250 B3R0.2 OBr(=O)=O 202 [2,0,0,0,0,0|1,0,1]=4 251 B3R0.2 OP(=O)O PHS [2,0,0,0,0,0|1,0,0]=3 252 B3R0.2 O[As](O)O TAS [2,0,0,0,0,0|1,0,1]=4 253 B3R0.2 O[Mo+6](=O)O OMO [2,0,0,0,0,0|1,0,0]=3 254 B3R0.2 O[Mo](=O)=O MOM [2,0,0,0,0,0|1,0,1]=4 255 B3R0.2 O[SH](=O)O SFO [2,0,0,0,0,0|1,0,0]=3 256 B3R0.2 O[Sb](O)O SBO [2,0,0,0,0,0|1,0,1]=4 257 B3R0.2 O[Se](=O)[O-] BSY [2,0,0,0,0,0|1,0,1]=4 258 B3R0.2 O[Zn-](O)O ZH3 [2,0,0,0,0,0|1,0,1]=4 259 B5R0.1 C(C(=O)O)ON AOA [1,1,0,0,0,0|0,0,0]=2 260 B5R0.1 C(CN)C(=O)O BAL [1,1,0,0,0,0|0,0,0]=2 261 B5R0.1 C(CO)C(=O)O 3OH [1,1,0,0,0,0|0,0,0]=2 262 B5R0.1 C(CS)C(=O)O MPT [1,1,0,0,0,0|0,0,0]=2 263 B5R0.1 C(C[SeH])C(=O)O SLP [1,1,0,0,0,0|0,0,0]=2 264 B5R0.1 C=C(CCO)Br 3BB [1,1,0,0,0,0|2,0,0]=4 265 B5R0.1 CC(=O)CCO BUQ [1,1,0,0,0,0|1,0,0]=3 266 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.1 CC=CC(=O)O BEO [1,1,0,0,0,0|0,0,1]=3 268 B5R0.1 CCCC(=O)C PNH [1,1,0,0,0,0|1,0,0]=3 269 B5R0.1 CCCC(=O)N BMD [1,1,0,0,0,0|1,0,0]=3 270 B5R0.1 CCCC(=O)O BUA [1,1,0,0,0,0|0,0,0]=2 271 B5R0.1 CCC[N+](=O)[O-] N1P [1,1,0,0,0,0|1,0,1]=4 272 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|1,0,0]=3 273 B5R0.1 CCOC(=O)O 01F [1,1,0,0,0,0|0,0,0]=2 274 B5R0.1 CCO[P@H](=O)O ATJ [1,1,0,0,0,0|1,0,0]=3 275 B5R0.1 CCSC(=N)N ITU [1,1,0,0,0,0|2,0,0]=4 276 B5R0.1 CCSC(=N)N SEU [1,1,0,0,0,0|2,0,0]=4 277 B5R0.1 CNCC(=O)O MGY [1,1,0,0,0,0|0,0,0]=2 278 B5R0.1 CNCC(=O)O SAR [1,1,0,0,0,0|0,0,0]=2 279 B5R0.1 CSCC(=O)[O-] MTG [1,1,0,0,0,0|0,0,1]=3 280 B5R0.1 CSC[S@@](=O)C DSS [1,1,0,0,0,0|2,0,0]=4 281 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|0,0,1]=3 282 B5R0.1 C[C@H](CC=O)O 5KO [1,1,0,0,0,0|0,0,0]=2 283 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|0,0,1]=3 284 B5R0.1 C[Se]CC(=O)[O-] MSF [1,1,0,0,0,0|0,0,1]=3 285 B5R0.1 C[Te]CC(=O)[O-] MTD [1,1,0,0,0,0|0,0,1]=3 286 B5R0.1 N=C(/N)\NCC EGD [1,1,0,0,0,0|2,0,0]=4 287 B5R0.1 N=C(\N)/[Se]CC ISU [1,1,0,0,0,0|2,0,0]=4 288 B5R0.3 C(C(=O)CCl)Cl CHM [1,1,0,0,0,0|2,0,0]=4 289 B5R0.3 C(C(=O)CO)O 2HA [1,1,0,0,0,0|0,0,0]=2 290 B5R0.3 C(C(C=O)O)O GXV [1,1,0,0,0,0|0,0,0]=2 291 B5R0.3 C(C(CO)N)O SEL [1,1,0,0,0,0|1,0,1]=4 292 B5R0.3 C(C(CO)O)O CRY [1,1,0,0,0,0|0,0,1]=3 293 B5R0.3 C(C(CO)O)O GOL [1,1,0,0,0,0|0,0,1]=3 294 B5R0.3 C([C@@H](CCl)Cl)O D2P [1,1,0,0,0,0|1,0,1]=4 295 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [1,1,0,0,0,0|1,0,1]=4 296 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [1,1,0,0,0,0|1,0,1]=4 297 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [1,1,0,0,0,0|1,0,1]=4 298 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [1,1,0,0,0,0|1,0,1]=4 299 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [1,1,0,0,0,0|1,0,1]=4 300 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [1,1,0,0,0,0|1,0,1]=4 302 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [1,1,0,0,0,0|1,0,1]=4 303 B5R0.3 C([C@H](C=O)O)O 3GR [1,1,0,0,0,0|0,0,0]=2 304 B5R0.3 C([C@H](CS)O)O SGM [1,1,0,0,0,0|0,0,1]=3 305 B5R0.3 CNC(=O)NC MMU [1,1,0,0,0,0|2,0,0]=4 306 B5R0.3 COC(=O)CN MEU [1,1,0,0,0,0|1,0,0]=3 307 B5R0.4 C(=O)C(Cl)(Cl)Cl CLX [1,1,0,0,0,0|2,0,0]=4 308 B5R0.4 C(N)P(=O)(O)O PGL [1,1,0,0,0,0|2,0,0]=4 309 B5R0.4 CC(C)(C#N)O CNH [1,1,0,0,0,0|1,0,1]=4 310 B5R0.4 CCS(=O)(=O)O ESA [1,1,0,0,0,0|1,0,0]=3 311 B5R0.4 COP(=O)(O)O KOP [1,1,0,0,0,0|2,0,0]=4 312 B7R0.2 C(C(=O)O)N(C=O)O HDA [0,1,0,0,0,1|1,0,1]=4 313 B7R0.2 C([C@@H](C=O)N)C(=O)O ASA [0,1,0,0,0,1|1,0,1]=4 314 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,1,0,0,0,1|1,0,0]=3 315 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL [0,1,0,0,0,1|1,0,1]=4 316 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 [0,1,0,0,0,1|1,0,1]=4 317 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,1,0,0,0,1|1,0,0]=3 318 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,1,0,0,0,1|1,0,0]=3 319 B7R0.2 CC(C)NC(=N)NO IHG [0,1,0,0,0,1|2,0,0]=4 320 B7R0.9 C(C(=O)O)P(=O)(O)O PAE [0,1,0,0,0,1|2,0,0]=4 321 B7R0.9 C(C(=O)O)P(=S)(O)O TSE [0,1,0,0,0,1|2,0,0]=4 322 B7R0.9 C(C(=O)O)S(=O)(=O)O SAT [0,1,0,0,0,1|2,0,0]=4 323 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,0,0,0,1|1,0,0]=3 324 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,0,0,0,1|1,0,0]=3 325 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,0,0,0,1|1,0,0]=3 326 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,0,0,0,1|1,0,0]=3 327 B7R0.9 CC(C)OP(=O)(O)O ISP [0,1,0,0,0,1|2,0,0]=4 328 B7R0.9 CC(C)OP(=O)(O)O MIP [0,1,0,0,0,1|2,0,0]=4 329 B7R0.9 C[C@@H](CC(C)(C)O)O MPD [0,1,0,0,0,1|1,0,1]=4 330 B7R0.9 C[C@@H](CP(=O)(O)O)O S0H [0,1,0,0,0,1|1,0,0]=3 331 B7R0.9 C[C@H](CC(C)(C)O)O MRD [0,1,0,0,0,1|1,0,1]=4 332 B7R0.9 C[C@H](CP(=O)(O)O)O TB6 [0,1,0,0,0,1|1,0,0]=3 333 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,1,0,0,0,1|2,0,0]=4 334 B7R0.16 C(=O)(C(=O)O)C(=O)O MAK [0,1,0,0,0,1|1,0,1]=4 335 B7R0.16 C(C(=O)O)(C(=O)O)N FGL [0,1,0,0,0,1|1,0,1]=4 336 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,1,0,0,0,1|0,0,2]=4 337 B7R0.16 CC(C(=O)O)C(=O)O DXX [0,1,0,0,0,1|1,0,1]=4 338 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,0,0,0,1|1,0,0]=3 339 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,0,0,0,1|2,0,0]=4 340 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,0,0,0,1|2,0,0]=4 341 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,0,0,0,1|1,0,0]=3 342 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,0,0,0,1|1,0,0]=3 343 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,0,0,0,1|1,0,0]=3 344 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,0,0,0,1|1,0,0]=3 345 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,0,0,0,1|1,0,1]=4 346 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,0,0,0,1|1,0,1]=4 347 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,0,0,0,1|1,0,0]=3 348 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,0,0,0,1|1,0,0]=3 349 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,1,0,0,0,1|2,0,0]=4 350 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,1,0,0,0,1|0,0,0]=2 351 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,1,0,0,0,1|0,0,0]=2 352 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 9AT [0,1,0,0,0,1|1,0,0]=3 353 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,1,0,0,0,1|1,0,0]=3 354 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,1,0,0,0,1|0,0,0]=2 355 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,1,0,0,0,1|0,0,0]=2 356 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,1,0,0,0,1|0,1,0]=3 357 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,1,0,0,0,1|0,0,1]=3 358 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,1,0,0,0,1|0,0,0]=2 359 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,1,0,0,0,1|0,0,1]=3 360 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 [0,1,0,0,0,1|0,0,1]=3 361 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 [0,1,0,0,0,1|0,0,2]=4 362 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW [0,1,0,0,0,1|0,0,1]=3 363 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 [0,1,0,0,0,1|0,0,2]=4 364 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,1,0,0,0,1|1,0,0]=3 365 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,1,0,0,0,1|0,0,0]=2 366 B7R0.16 C\C(=C(/C(=O)O)\N)\O MOZ [0,1,0,0,0,1|0,0,1]=3 367 B7R0.16 C\C(=C(/C(=O)O)\N)\S BB6 [0,1,0,0,0,1|0,1,1]=4 368 B7R0.16 [C@H](C(O)O)(C(=O)O)N DDZ [0,1,0,0,0,1|1,0,0]=3 369 B7R0.5 C#CC[C@@H](C(=O)O)N LPH [0,2,0,0,0,0|1,0,0]=3 370 B7R0.5 C(C=O)[C@H](C(=O)O)N AS2 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.5 C(CN)[C@@H](C(=O)O)N DAB [0,2,0,0,0,0|1,0,0]=3 372 B7R0.5 C(CN)[C@H](C(=O)O)N 4FO [0,2,0,0,0,0|1,0,0]=3 373 B7R0.5 C(CN)[C@H](C(=O)O)O 42B [0,2,0,0,0,0|0,0,0]=2 374 B7R0.5 C(CO)C(=O)C(=O)O VGX [0,2,0,0,0,0|0,0,2]=4 375 B7R0.5 C(CO)[C@@H](C(=O)O)N HSE [0,2,0,0,0,0|1,0,0]=3 376 B7R0.5 C(CS)[C@@H](C(=O)O)N HCS [0,2,0,0,0,0|1,0,0]=3 377 B7R0.5 C(CS)[C@H](C(=O)O)N KCY [0,2,0,0,0,0|1,0,0]=3 378 B7R0.5 C([C@@H](C(=O)O)N)SO CEA [0,2,0,0,0,0|1,0,0]=3 379 B7R0.5 C([C@@H](C(=O)O)N)SO CSO [0,2,0,0,0,0|1,0,0]=3 380 B7R0.5 C([C@@H](C(=O)O)N)SS CSS [0,2,0,0,0,0|1,0,0]=3 381 B7R0.5 C([C@@H](C(=O)O)N)S[Pb+] CSB [0,2,0,0,0,0|1,0,0]=3 382 B7R0.5 C([C@@H](C(=O)O)N)S[SeH] CSZ [0,2,0,0,0,0|1,0,0]=3 383 B7R0.5 C([C@@H](C(=O)O)N)[SH]=O CSX [0,2,0,0,0,0|1,0,0]=3 384 B7R0.5 C([C@@H](C(=O)O)N)[SeH]=O UOX [0,2,0,0,0,0|1,0,0]=3 385 B7R0.5 C([C@@H](C(=O)O)N)[Se]S PSW [0,2,0,0,0,0|1,0,0]=3 386 B7R0.5 C/C=C\C(=O)C(=O)O OXP [0,2,0,0,0,0|0,0,2]=4 387 B7R0.5 C=CC[C@@H](C(=O)O)N 2AG [0,2,0,0,0,0|1,0,0]=3 388 B7R0.5 C=CC[C@H](C(=O)O)N DYL [0,2,0,0,0,0|1,0,0]=3 389 B7R0.5 CCCC(=O)C(=O)O 69O [0,2,0,0,0,0|0,0,2]=4 390 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [0,2,0,0,0,0|1,0,0]=3 391 B7R0.5 CCC[C@@H](C(=O)O)N BTA [0,2,0,0,0,0|1,0,0]=3 392 B7R0.5 CCC[C@@H](C(=O)O)N NVA [0,2,0,0,0,0|1,0,0]=3 393 B7R0.5 CCC[C@@H](C(=O)O)N RON [0,2,0,0,0,0|1,0,0]=3 394 B7R0.5 CCS[C@@H](C(=O)O)N GSC [0,2,0,0,0,0|1,0,0]=3 395 B7R0.5 COC[C@@H](C(=O)O)N 7C9 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.5 CS/C=C(/C(=O)O)\O DEI [0,2,0,0,0,0|0,0,1]=3 397 B7R0.5 CSC[C@@H](C(=O)O)N CYM [0,2,0,0,0,0|1,0,0]=3 398 B7R0.5 CSC[C@@H](C(=O)O)N SMC [0,2,0,0,0,0|1,0,0]=3 399 B7R0.5 CSC[C@H](C(=O)O)N 060 [0,2,0,0,0,0|1,0,0]=3 400 B7R0.10 C([C@@H](C(=O)CO)O)O LER [0,2,0,0,0,0|0,0,0]=2 401 B7R0.10 C([C@@H]([C@H](CO)O)O)O DTL [0,2,0,0,0,0|0,0,2]=4 402 B7R0.10 C([C@@H]([C@H](CS)O)O)S DTT [0,2,0,0,0,0|0,1,1]=4 403 B7R0.10 C([C@H]([C@@H](CO)O)O)O 3VB [0,2,0,0,0,0|0,0,2]=4 404 B7R0.10 C([C@H]([C@@H](CS)O)O)S DTV [0,2,0,0,0,0|0,1,1]=4 405 B7R0.10 C([C@H]([C@H](CO)O)O)O MRY [0,2,0,0,0,0|0,0,2]=4 406 B7R0.10 C([C@H]([C@H](CS)O)O)S DTU [0,2,0,0,0,0|0,1,1]=4 407 B7R0.10 C=CC(=O)[C@H](CO)N KIK [0,2,0,0,0,0|2,0,0]=4 408 B7R0.10 COC(=O)C(=C)CO 23W [0,2,0,0,0,0|0,0,2]=4 409 B7R0.10 COC(=O)[C@H](CO)N 5R5 [0,2,0,0,0,0|1,0,0]=3 410 B7R0.10 COC(=O)[C@H](CS)N CMT [0,2,0,0,0,0|1,0,0]=3 411 B7R0.13 CC(=O)[P@](=O)(O)OC ALU [0,2,0,0,0,0|2,0,0]=4 412 B7R0.13 CC(C)(C(=O)O)NC 3WS [0,2,0,0,0,0|1,0,0]=3 413 B7R0.13 CC[C@](C)(C(=O)O)N DIV [0,2,0,0,0,0|1,0,0]=3 414 B7R0.13 C[C@H](O)[P](O)(O)OC ALK [0,2,0,0,0,0|1,0,1]=4 415 B7R0.13 C[C@H]([C@](C)(CN)O)O TSI [0,2,0,0,0,0|1,0,1]=4 416 B7R0.13 C[C@](CO)(C(=O)O)O 8A1 [0,2,0,0,0,0|0,0,0]=2 417 B7R0.13 C[C@](CS)(C(=O)O)N 03Y [0,2,0,0,0,0|0,1,0]=3 418 B7R0.14 C([C@H](O)P(=O)(O)O)N ODV [0,2,0,0,0,0|1,0,0]=3 419 B7R0.14 CC(C)(C)C(=O)NC BAE [0,2,0,0,0,0|2,0,0]=4 420 B7R0.14 CC[C@@H](O)P(=O)(O)O 1JJ [0,2,0,0,0,0|1,0,0]=3 421 B7R0.14 CC[C@H](N)P(=O)(O)O 3V2 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.14 CC[C@H](O)P(=O)(O)O FFQ [0,2,0,0,0,0|1,0,0]=3 423 B7R0.15 C([C@@H](CO)C(=O)O)N BSE [0,2,0,0,0,0|0,0,0]=2 424 B7R0.15 C/C=C(/C(=O)O)\NC MDH [0,2,0,0,0,0|1,0,1]=4 425 B7R0.15 CN[C@@H](C(=O)O)SC MSA [0,2,0,0,0,0|0,1,0]=3 426 B7R0.15 CN[C@@H](CO)C(=O)O 5JP [0,2,0,0,0,0|0,0,0]=2 427 B7R0.15 CN[C@@H](CS)C(=O)O NCY [0,2,0,0,0,0|0,1,0]=3 428 B7R0.15 CN[C@H](CO)C(=O)O DSE [0,2,0,0,0,0|0,0,0]=2 429 B7R0.17 CC(C)(C)S(=O)(=O)O TSM [0,2,0,0,0,0|2,0,0]=4 430 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|1,0,1]=4 431 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [0,0,0,1,0,1|1,0,0]=3 432 B7R1.4 C1COC(=O)[C@H]1N HSL [0,1,0,1,0,0|1,0,0]=3 433 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,1,0,1,0,0|1,0,1]=4 434 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [0,1,0,1,0,0|1,0,0]=3 435 B7R1.4 CN1CCOC1=O 3MO [0,1,0,1,0,0|2,0,0]=4 436 B7R1.18 C1CN[C@@H]1C(=O)O 02A [0,1,0,1,0,0|1,0,0]=3 437 B7R1.19 C1CC1(C(=O)O)N 1AC [0,1,0,1,0,0|1,0,0]=3 438 B7R0.6 C(=C\C(=O)O)/C(=O)O FUM [0,0,0,0,0,2|1,0,1]=4 439 B7R0.6 C(=C\C(=O)O)\C(=O)O MAE [0,0,0,0,0,2|1,0,1]=4 440 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,0,0,0,0,2|1,0,1]=4 441 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,0,2|0,0,2]=4 442 B7R0.6 CC(=O)NCC(=O)O AAC [0,0,0,0,0,2|0,0,2]=4 443 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,0,2|1,0,0]=3 444 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,0,2|1,0,0]=3 445 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,0,2|1,0,0]=3 446 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,0,2|2,0,0]=4 447 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,0,0,0,0,2|1,0,0]=3 448 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,0,0,0,0,2|1,0,1]=4