0 B4R0.1 B(CC)(O)O 3QD [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 C(=C(Cl)Cl)Cl TCV [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C(=N)(N)NN AGU [0,0,0,0,0,0|4,0,0]=4 3 B4R0.1 C(=N)(N)NO HGU [0,0,0,0,0,0|4,0,0]=4 4 B4R0.1 C(=O)(N)NO NHY [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C(=O)C(=O)O GLV [0,0,0,0,0,0|1,0,1]=2 6 B4R0.1 C(=S)(N)NN TSZ [0,0,0,0,0,0|3,1,0]=4 7 B4R0.1 C(C(=O)N)F FTM [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 C(C(=O)N)N GM1 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 C(C(=O)O)Br BRM [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 C(C(=O)O)Br BXA [0,0,0,0,0,0|1,0,0]=1 11 B4R0.1 C(C(=O)O)Cl R3W [0,0,0,0,0,0|1,0,0]=1 12 B4R0.1 C(C(=O)O)F FAH [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 C(C(=O)O)I 04E [0,0,0,0,0,0|1,0,0]=1 14 B4R0.1 C(C(=O)O)N GLY [0,0,0,0,0,0|1,0,0]=1 15 B4R0.1 C(C(=O)O)N GLY_LFOH [0,0,0,0,0,0|1,0,0]=1 16 B4R0.1 C(C(=O)O)O GOA [0,0,0,0,0,0|1,0,0]=1 17 B4R0.1 C(C(=O)O)S MCR [0,0,0,0,0,0|1,0,0]=1 18 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [0,0,0,0,0,0|1,0,0]=1 19 B4R0.1 C(C(=O)S)N GL3 [0,0,0,0,0,0|1,1,0]=2 20 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [0,0,0,0,0,0|1,0,1]=2 21 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [0,0,0,0,0,0|1,0,1]=2 22 B4R0.1 C=C(CO)Br BRP [0,0,0,0,0,0|3,0,0]=3 23 B4R0.1 C=CC(=O)N 1HC [0,0,0,0,0,0|1,0,2]=3 24 B4R0.1 C=CC(=O)O AKR [0,0,0,0,0,0|0,0,2]=2 25 B4R0.1 CC(=C)C=C 61G [0,0,0,0,0,0|2,0,2]=4 26 B4R0.1 CC(=C)CN IRS [0,0,0,0,0,0|3,0,0]=3 27 B4R0.1 CC(=O)C=O PVL [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 CC(=O)CCl ATO [0,0,0,0,0,0|2,0,0]=2 29 B4R0.1 CC(=O)CN GCM [0,0,0,0,0,0|2,0,0]=2 30 B4R0.1 CC(=O)CN GLM [0,0,0,0,0,0|2,0,0]=2 31 B4R0.1 CC(=O)CO 4Y8 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 CC(=O)NC NML [0,0,0,0,0,0|2,0,0]=2 33 B4R0.1 CC(=O)NO HAE [0,0,0,0,0,0|3,0,0]=3 34 B4R0.1 CC(=O)OO F50 [0,0,0,0,0,0|3,0,0]=3 35 B4R0.1 CC(=O)O[Hg+] MAC [0,0,0,0,0,0|3,0,0]=3 36 B4R0.1 CC(C)CN IBN [0,0,0,0,0,0|3,0,1]=4 37 B4R0.1 CC=C(C)C 2MB [0,0,0,0,0,0|2,0,1]=3 38 B4R0.1 CCC(=O)N ROP [0,0,0,0,0,0|1,0,0]=1 39 B4R0.1 CCC(=O)O PPI [0,0,0,0,0,0|0,0,0]=0 40 B4R0.1 CC[C@H](C)O SBT [0,0,0,0,0,0|1,0,1]=2 41 B4R0.1 CC[N+](=O)[O-] NIE [0,0,0,0,0,0|1,0,1]=2 42 B4R0.1 CNC(=O)N NMU [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 CNC(=O)O RGI [0,0,0,0,0,0|1,0,0]=1 44 B4R0.1 COC(=O)O 000 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.1 C[C@@H](CBr)O EBH [0,0,0,0,0,0|2,0,1]=3 46 B4R0.1 C[C@@H](CCl)Cl CP2 [0,0,0,0,0,0|3,0,1]=4 47 B4R0.1 C[C@@H](CO)N 2A1 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.1 C[C@@H](CO)O PGO [0,0,0,0,0,0|2,0,1]=3 49 B4R0.1 C[C@@H](CO)O PGQ [0,0,0,0,0,0|2,0,1]=3 50 B4R0.1 C[C@H](CBr)O 1BP [0,0,0,0,0,0|2,0,1]=3 51 B4R0.1 C[C@H](CO)N 2A3 [0,0,0,0,0,0|3,0,1]=4 52 B4R0.1 C[C@H](CO)O HP3 [0,0,0,0,0,0|2,0,1]=3 53 B4R0.1 C[C@H](CO)O PGR [0,0,0,0,0,0|2,0,1]=3 54 B4R0.1 C[C@H](C[NH3+])O FOP [0,0,0,0,0,0|2,0,1]=3 55 B4R0.1 N=C(\N)/NC MGX [0,0,0,0,0,0|3,0,0]=3 56 B4R0.1 O[Mo+4](=O)S[Cu+] CUN [0,0,0,0,0,0|3,0,0]=3 57 B4R0.1 O[Mo+6](=O)S[Cu+] CUM [0,0,0,0,0,0|3,0,0]=3 58 B3R0.1 C#CCN RRA [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 C(=C/Br)/Br CB0 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 C(=CS)N TEE [1,0,0,0,0,0|1,1,1]=4 61 B3R0.1 C(=O)C=O GXT [1,0,0,0,0,0|1,0,1]=3 62 B3R0.1 C(C=O)N GLZ [1,0,0,0,0,0|1,0,0]=2 63 B3R0.1 C(CBr)O BRJ [1,0,0,0,0,0|1,0,1]=3 64 B3R0.1 C(CCl)Cl DCE [1,0,0,0,0,0|2,0,1]=4 65 B3R0.1 C(CN)N EDN [1,0,0,0,0,0|2,0,1]=4 66 B3R0.1 C(CO)N ETA [1,0,0,0,0,0|1,0,1]=3 67 B3R0.1 C(CO)O EDO [1,0,0,0,0,0|1,0,1]=3 68 B3R0.1 C(CO)O EGL [1,0,0,0,0,0|1,0,1]=3 69 B3R0.1 C(CS)N DHL [1,0,0,0,0,0|1,1,1]=4 70 B3R0.1 C(CS)N SEA [1,0,0,0,0,0|1,1,1]=4 71 B3R0.1 C(CS)O BME [1,0,0,0,0,0|1,0,1]=3 72 B3R0.1 C(CS)O SEO [1,0,0,0,0,0|1,0,1]=3 73 B3R0.1 C(CS)S 6LN [1,0,0,0,0,0|1,1,1]=4 74 B3R0.1 C(N)[SH]=O OSM [1,0,0,0,0,0|2,0,0]=3 75 B3R0.1 C([C-]=O)[NH-] GLY_LL [1,0,0,0,0,0|1,0,1]=3 76 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [1,0,0,0,0,0|1,0,1]=3 77 B3R0.1 C=CC#N 6AC [1,0,0,0,0,0|2,0,1]=4 78 B3R0.1 C=CCN AYE [1,0,0,0,0,0|2,0,0]=3 79 B3R0.1 C=CCO 5VQ [1,0,0,0,0,0|2,0,0]=3 80 B3R0.1 CCC#N CNV [1,0,0,0,0,0|1,0,1]=3 81 B3R0.1 CCC=O CBG [1,0,0,0,0,0|0,0,0]=1 82 B3R0.1 CCC=O PNL [1,0,0,0,0,0|0,0,0]=1 83 B3R0.1 CCCBr 3BR [1,0,0,0,0,0|1,0,1]=3 84 B3R0.1 CCCC BUT [1,0,0,0,0,0|1,0,1]=3 85 B3R0.1 CCCC NBU [1,0,0,0,0,0|1,0,1]=3 86 B3R0.1 CCCC SBU [1,0,0,0,0,0|1,0,1]=3 87 B3R0.1 CCCN 3CN [1,0,0,0,0,0|1,0,1]=3 88 B3R0.1 CCCO POL [1,0,0,0,0,0|0,0,1]=2 89 B3R0.1 CCCS XL3 [1,0,0,0,0,0|0,1,1]=3 90 B3R0.1 CCN=O NOE [1,0,0,0,0,0|1,0,0]=2 91 B3R0.1 CCNC ETN [1,0,0,0,0,0|2,0,0]=3 92 B3R0.1 CCOC 2ME [1,0,0,0,0,0|2,0,0]=3 93 B3R0.1 CC[N+]#C ENC [1,0,0,0,0,0|2,0,0]=3 94 B3R0.1 CNC=S MTF [1,0,0,0,0,0|1,1,0]=3 95 B3R0.1 C\C=C/N AKK [1,0,0,0,0,0|1,0,1]=3 96 B3R0.1 C\C=N\O AXO [1,0,0,0,0,0|1,0,1]=3 97 B3R0.1 N=C\CN AEM [1,0,0,0,0,0|2,0,0]=3 98 B3R0.1 O[Fe]O[Fe] OFO [1,0,0,0,0,0|3,0,0]=4 99 B3R0.2 B(O)(O)O BO3 [1,0,0,0,0,0|2,0,1]=4 100 B3R0.2 BN(C)C 7BZ [1,0,0,0,0,0|3,0,0]=4 101 B3R0.2 C(=N)(N)N GAI [1,0,0,0,0,0|3,0,0]=4 102 B3R0.2 C(=O)(N)N URE [1,0,0,0,0,0|2,0,0]=3 103 B3R0.2 C(=O)(N)O OUT [1,0,0,0,0,0|1,0,0]=2 104 B3R0.2 C(=O)(O)[O-] BCT [1,0,0,0,0,0|1,0,0]=2 105 B3R0.2 C(=O)([O-])[O-] CO3 [1,0,0,0,0,0|1,0,1]=3 106 B3R0.2 C(=S)(N)N TOU [1,0,0,0,0,0|2,1,0]=4 107 B3R0.2 C(=S)(S)S KCS [1,0,0,0,0,0|1,2,0]=4 108 B3R0.2 C(=[Se])(N)N SEY [1,0,0,0,0,0|2,1,0]=4 109 B3R0.2 CC(=C)C MEB [1,0,0,0,0,0|2,0,0]=3 110 B3R0.2 CC(=O)C ACN [1,0,0,0,0,0|1,0,0]=2 111 B3R0.2 CC(=O)N ACM [1,0,0,0,0,0|1,0,0]=2 112 B3R0.2 CC(=O)N CNM [1,0,0,0,0,0|1,0,0]=2 113 B3R0.2 CC(=O)O ACY [1,0,0,0,0,0|0,0,0]=1 114 B3R0.2 CC(=O)O CBM [1,0,0,0,0,0|0,0,0]=1 115 B3R0.2 CC(=O)O CM [1,0,0,0,0,0|0,0,0]=1 116 B3R0.2 CC(=O)[O-] ACT [1,0,0,0,0,0|0,0,1]=2 117 B3R0.2 CC(C)O IOH [1,0,0,0,0,0|1,0,1]=3 118 B3R0.2 CC(C)O IPA [1,0,0,0,0,0|1,0,1]=3 119 B3R0.2 CN(C)C KEN [1,0,0,0,0,0|3,0,0]=4 120 B3R0.2 CS(=O)C DMS [1,0,0,0,0,0|2,0,0]=3 121 B3R0.2 C[P@H](=O)O MPS [1,0,0,0,0,0|1,0,0]=2 122 B3R0.2 C[P@H](=O)O SOM [1,0,0,0,0,0|1,0,0]=2 123 B3R0.2 C[P@H](=O)[O-] VXA [1,0,0,0,0,0|1,0,1]=3 124 B3R0.2 C[Pb+](C)C PBM [1,0,0,0,0,0|3,0,0]=4 125 B3R0.2 O=[Mo](=O)=S SMO [1,0,0,0,0,0|2,0,1]=4 126 B3R0.2 O=[Mo](=O)S MOS [1,0,0,0,0,0|2,0,1]=4 127 B3R0.2 O=[V-](=O)=O VN3 [1,0,0,0,0,0|2,0,1]=4 128 B3R0.2 OBr(=O)=O 202 [1,0,0,0,0,0|2,0,0]=3 129 B3R0.2 OP(=O)O PHS [1,0,0,0,0,0|2,0,0]=3 130 B3R0.2 O[As](O)O TAS [1,0,0,0,0,0|2,0,1]=4 131 B3R0.2 O[Mo+6](=O)O OMO [1,0,0,0,0,0|2,0,0]=3 132 B3R0.2 O[Mo](=O)=O MOM [1,0,0,0,0,0|2,0,0]=3 133 B3R0.2 O[SH](=O)O SFO [1,0,0,0,0,0|2,0,0]=3 134 B3R0.2 O[Sb](O)O SBO [1,0,0,0,0,0|2,0,1]=4 135 B3R0.2 O[Se](=O)[O-] BSY [1,0,0,0,0,0|2,0,0]=3 136 B3R0.2 O[Zn-](O)O ZH3 [1,0,0,0,0,0|2,0,1]=4 137 B3R0.2 [N+](=O)([O-])[O-] NO3 [1,0,0,0,0,0|2,0,1]=4 138 B3R0.2 [O-]Cl(=O)=O LCO [1,0,0,0,0,0|2,0,1]=4 139 B3R0.2 [O-]P(=O)[O-] 2PO [1,0,0,0,0,0|2,0,1]=4 140 B3R0.2 [O-]S(=O)=O SFN [1,0,0,0,0,0|2,0,1]=4 141 B3R0.2 [O-]S(=O)[O-] SO3 [1,0,0,0,0,0|2,0,1]=4 142 B3R0.2 [O-][P-](=O)[O-] PO3 [1,0,0,0,0,0|2,0,1]=4 143 B3R0.2 [O-][V](=O)=O VN4 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 C(C(=O)O)ON AOA [0,1,0,0,0,0|1,0,0]=2 145 B5R0.1 C(CN)C(=O)O BAL [0,1,0,0,0,0|0,0,0]=1 146 B5R0.1 C(CO)C(=O)O 3OH [0,1,0,0,0,0|0,0,0]=1 147 B5R0.1 C(CS)C(=O)O MPT [0,1,0,0,0,0|0,0,0]=1 148 B5R0.1 C(C[SeH])C(=O)O SLP [0,1,0,0,0,0|0,0,0]=1 149 B5R0.1 C=C(CCO)Br 3BB [0,1,0,0,0,0|2,0,0]=3 150 B5R0.1 CC(=O)CCO BUQ [0,1,0,0,0,0|1,0,0]=2 151 B5R0.1 CC(C)CCN LEN [0,1,0,0,0,0|2,0,1]=4 152 B5R0.1 CC(C)CCO IP3 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.1 CC=CC(=O)O BEO [0,1,0,0,0,0|0,0,1]=2 154 B5R0.1 CCCC(=O)C PNH [0,1,0,0,0,0|1,0,0]=2 155 B5R0.1 CCCC(=O)N BMD [0,1,0,0,0,0|1,0,0]=2 156 B5R0.1 CCCC(=O)O BUA [0,1,0,0,0,0|0,0,0]=1 157 B5R0.1 CCC[N+](=O)[O-] N1P [0,1,0,0,0,0|1,0,1]=3 158 B5R0.1 CCOC(=O)C EEE [0,1,0,0,0,0|1,0,0]=2 159 B5R0.1 CCOC(=O)O 01F [0,1,0,0,0,0|0,0,0]=1 160 B5R0.1 CCO[P@H](=O)O ATJ [0,1,0,0,0,0|1,0,0]=2 161 B5R0.1 CCSC(=N)N ITU [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CCSC(=N)N SEU [0,1,0,0,0,0|2,0,0]=3 163 B5R0.1 CNCC(=O)O MGY [0,1,0,0,0,0|0,0,0]=1 164 B5R0.1 CNCC(=O)O SAR [0,1,0,0,0,0|0,0,0]=1 165 B5R0.1 CSCC(=O)[O-] MTG [0,1,0,0,0,0|0,0,1]=2 166 B5R0.1 CSC[S@@](=O)C DSS [0,1,0,0,0,0|2,0,0]=3 167 B5R0.1 C[C@@H](CCO)O BU2 [0,1,0,0,0,0|1,0,1]=3 168 B5R0.1 C[C@H](CC=O)O 5KO [0,1,0,0,0,0|1,0,2]=4 169 B5R0.1 C[C@H](CCO)O BU4 [0,1,0,0,0,0|1,0,1]=3 170 B5R0.1 C[Se]CC(=O)[O-] MSF [0,1,0,0,0,0|0,0,1]=2 171 B5R0.1 C[Te]CC(=O)[O-] MTD [0,1,0,0,0,0|0,0,1]=2 172 B5R0.1 N=C(/N)\NCC EGD [0,1,0,0,0,0|2,0,0]=3 173 B5R0.1 N=C(\N)/[Se]CC ISU [0,1,0,0,0,0|2,0,0]=3 174 B5R0.3 C(C(=O)CCl)Cl CHM [0,1,0,0,0,0|2,0,0]=3 175 B5R0.3 C(C(=O)CO)O 2HA [0,1,0,0,0,0|1,0,0]=2 176 B5R0.3 C(C(C=O)O)O GXV [0,1,0,0,0,0|1,0,1]=3 177 B5R0.3 C(C(CO)N)O SEL [0,1,0,0,0,0|2,0,1]=4 178 B5R0.3 C(C(CO)O)O CRY [0,1,0,0,0,0|1,0,2]=4 179 B5R0.3 C(C(CO)O)O GOL [0,1,0,0,0,0|1,0,2]=4 180 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,1,0,0,0,0|2,0,1]=4 181 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [0,1,0,0,0,0|2,0,1]=4 182 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [0,1,0,0,0,0|2,0,1]=4 183 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [0,1,0,0,0,0|2,0,1]=4 184 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [0,1,0,0,0,0|2,0,1]=4 185 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [0,1,0,0,0,0|2,0,1]=4 186 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [0,1,0,0,0,0|2,0,1]=4 187 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [0,1,0,0,0,0|2,0,1]=4 188 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [0,1,0,0,0,0|2,0,1]=4 189 B5R0.3 C([C@H](C=O)O)O 3GR [0,1,0,0,0,0|1,0,1]=3 190 B5R0.3 C([C@H](CS)O)O SGM [0,1,0,0,0,0|1,0,2]=4 191 B5R0.3 CCC(CC)N D0M [0,1,0,0,0,0|2,0,1]=4 192 B5R0.3 CC[C@H](C)CN DCI [0,1,0,0,0,0|2,0,1]=4 193 B5R0.3 CC[C@H](C)CN MBA [0,1,0,0,0,0|2,0,1]=4 194 B5R0.3 CNC(=O)NC MMU [0,1,0,0,0,0|2,0,0]=3 195 B5R0.3 COC(=O)CN MEU [0,1,0,0,0,0|1,0,0]=2 196 B5R0.4 C(N)P(=O)(O)O PGL [0,1,0,0,0,0|2,0,0]=3 197 B5R0.4 C(P(=O)([O-])[O-])S MMQ [0,1,0,0,0,0|2,0,1]=4 198 B5R0.4 C=CS(=O)(=O)O VSO [0,1,0,0,0,0|1,0,2]=4 199 B5R0.4 CCS(=O)(=O)O ESA [0,1,0,0,0,0|1,0,0]=2 200 B5R0.4 CC[Si](C)(C)C CEQ [0,1,0,0,0,0|2,1,0]=4 201 B5R0.4 COP(=O)(O)O KOP [0,1,0,0,0,0|2,0,0]=3 202 B5R0.4 CSS(=O)(=O)C Z22 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.5 B([C@H](C)N)(O)O B2A [0,1,0,0,0,0|1,0,1]=3 204 B5R0.5 C(=O)(C(=O)O)N OXM [0,1,0,0,0,0|1,0,1]=3 205 B5R0.5 C(=O)(C(=O)O)O OXD [0,1,0,0,0,0|1,0,1]=3 206 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,1,0,0,0,0|1,0,2]=4 207 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,1,0,0,0,0|1,0,0]=2 208 B5R0.5 C=C(C(=O)N)N PYT [0,1,0,0,0,0|1,0,2]=4 209 B5R0.5 C=C(C(=O)O)N DHA [0,1,0,0,0,0|0,0,2]=3 210 B5R0.5 CC(=O)C(=O)N PYM [0,1,0,0,0,0|1,0,1]=3 211 B5R0.5 CC(=O)C(=O)O PYR [0,1,0,0,0,0|0,0,1]=2 212 B5R0.5 CC(=O)N(C)C 5Y9 [0,1,0,0,0,0|2,0,0]=3 213 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,1,0,0,0,0|0,0,2]=3 214 B5R0.5 CC(C)C(=O)N IBO [0,1,0,0,0,0|1,0,0]=2 215 B5R0.5 CC(C)C(=O)O ALQ [0,1,0,0,0,0|0,0,0]=1 216 B5R0.5 CC(C)C(=O)O ISB [0,1,0,0,0,0|0,0,0]=1 217 B5R0.5 CC(C)[C@@H](C)N CDE [0,1,0,0,0,0|2,0,1]=4 218 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,1,0,0,0,0|1,0,1]=3 219 B5R0.5 C[C@@H](C(=O)C)N ALM [0,1,0,0,0,0|1,0,0]=2 220 B5R0.5 C[C@@H](C(=O)C)O HBS [0,1,0,0,0,0|1,0,0]=2 221 B5R0.5 C[C@@H](C(=O)N)N 66N [0,1,0,0,0,0|1,0,0]=2 222 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,1,0,0,0,0|0,0,0]=1 223 B5R0.5 C[C@@H](C(=O)O)N ALA [0,1,0,0,0,0|0,0,0]=1 224 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,1,0,0,0,0|0,0,0]=1 225 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,1,0,0,0,0|0,0,0]=1 226 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,1,0,0,0,0|0,0,0]=1 227 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,1,0,0,0,0|0,0,1]=2 228 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,1,0,0,0,0|0,0,1]=2 229 B5R0.5 C[C@@H](C(=S)O)N ALT [0,1,0,0,0,0|0,1,0]=2 230 B5R0.5 C[C@@H](C(O)O)N ALV [0,1,0,0,0,0|0,0,2]=3 231 B5R0.5 C[C@@H]([C@H](C)O)O BUD [0,1,0,0,0,0|1,0,1]=3 232 B5R0.5 C[C@H](C(=O)C)O HBR [0,1,0,0,0,0|1,0,0]=2 233 B5R0.5 C[C@H](C(=O)O)F 4LT [0,1,0,0,0,0|0,0,0]=1 234 B5R0.5 C[C@H](C(=O)O)N DAL [0,1,0,0,0,0|0,0,0]=1 235 B5R0.5 C[C@H](C(=O)O)O DLA [0,1,0,0,0,0|0,0,0]=1 236 B5R0.5 C[C@H](C(=O)O)O LAC [0,1,0,0,0,0|0,0,0]=1 237 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [0,1,0,0,0,0|1,0,1]=3 238 B5R0.5 C[C@H]([C@H](C)O)O BU9 [0,1,0,0,0,0|1,0,1]=3 239 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,1,0,0,0,0|1,0,0]=2 240 B2R0.1 C(#N)O 0NM [2,0,0,0,0,0|1,0,1]=4 241 B2R0.1 C(=O)=O CO2 [2,0,0,0,0,0|0,0,2]=4 242 B2R0.1 C(=O)N ARF [2,0,0,0,0,0|1,0,0]=3 243 B2R0.1 C(=O)O CBX [2,0,0,0,0,0|0,0,0]=2 244 B2R0.1 C(=O)O FMT [2,0,0,0,0,0|0,0,0]=2 245 B2R0.1 C(Br)Br 2BM [2,0,0,0,0,0|2,0,0]=4 246 B2R0.1 C=[N+]=[N-] 0HQ [2,0,0,0,0,0|2,0,0]=4 247 B2R0.1 CC#N CCN [2,0,0,0,0,0|1,0,1]=4 248 B2R0.1 CC=O ACE [2,0,0,0,0,0|0,0,0]=2 249 B2R0.1 CC=O ACU [2,0,0,0,0,0|0,0,0]=2 250 B2R0.1 CC=O MCB [2,0,0,0,0,0|0,0,0]=2 251 B2R0.1 CCBr BBX [2,0,0,0,0,0|1,0,0]=3 252 B2R0.1 CCC TME [2,0,0,0,0,0|0,0,1]=3 253 B2R0.1 CCCl MCE [2,0,0,0,0,0|1,0,0]=3 254 B2R0.1 CCI ETI [2,0,0,0,0,0|1,0,0]=3 255 B2R0.1 CCN NEH [2,0,0,0,0,0|1,0,0]=3 256 B2R0.1 CCO EOH [2,0,0,0,0,0|0,0,0]=2 257 B2R0.1 CCO EOX [2,0,0,0,0,0|0,0,0]=2 258 B2R0.1 CCO OHE [2,0,0,0,0,0|0,0,0]=2 259 B2R0.1 CCS SCC [2,0,0,0,0,0|0,1,0]=3 260 B2R0.1 CCS XL1 [2,0,0,0,0,0|0,1,0]=3 261 B2R0.1 CC[Hg+] EMC [2,0,0,0,0,0|1,0,0]=3 262 B2R0.1 CC[O] OXA [2,0,0,0,0,0|0,0,1]=3 263 B2R0.1 CN=N HDN [2,0,0,0,0,0|2,0,0]=4 264 B2R0.1 CN=O NSM [2,0,0,0,0,0|1,0,0]=3 265 B2R0.1 CNC DMN [2,0,0,0,0,0|1,0,1]=4 266 B2R0.1 COC 2F2 [2,0,0,0,0,0|1,0,1]=4 267 B2R0.1 CSC MSM [2,0,0,0,0,0|1,0,1]=4 268 B2R0.1 C[N+]#[C-] MNC [2,0,0,0,0,0|1,0,1]=4 269 B2R0.1 N(=O)[O-] NO2 [2,0,0,0,0,0|1,0,1]=4 270 B2R0.1 N(=O)[O] 2NO [2,0,0,0,0,0|1,0,1]=4 271 B2R0.1 N=C/C E1H [2,0,0,0,0,0|1,0,0]=3 272 B2R0.1 O=S=O SO2 [2,0,0,0,0,0|1,0,1]=4 273 B2R0.1 O=[Mo]=O 2MO [2,0,0,0,0,0|1,0,1]=4 274 B2R0.1 O=[Mo]=O MM4 [2,0,0,0,0,0|1,0,1]=4 275 B2R0.1 O=[Mo]S MOW [2,0,0,0,0,0|1,1,0]=4 276 B2R0.1 [O-]P=O PO2 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.2 C(C=O)C=O MDD [1,1,0,0,0,0|0,0,1]=3 278 B4R0.2 C(CCl)CCl 0CL [1,1,0,0,0,0|1,0,1]=4 279 B4R0.2 C(CN)CBr 4LJ [1,1,0,0,0,0|1,0,1]=4 280 B4R0.2 C(CN)CN 13D [1,1,0,0,0,0|1,0,1]=4 281 B4R0.2 C(CN)CO 0D8 [1,1,0,0,0,0|0,0,1]=3 282 B4R0.2 C(CO)CCl 3CL [1,1,0,0,0,0|0,0,1]=3 283 B4R0.2 C(CO)CO HPG [1,1,0,0,0,0|0,0,1]=3 284 B4R0.2 C(CO)CO PDO [1,1,0,0,0,0|0,0,1]=3 285 B4R0.2 C(CS)C=O MPR [1,1,0,0,0,0|0,0,0]=2 286 B4R0.2 C(CS)CS PDT [1,1,0,0,0,0|0,1,1]=4 287 B4R0.2 C(O)OCO 21H [1,1,0,0,0,0|1,0,1]=4 288 B4R0.2 C/C=C/C=O CRD [1,1,0,0,0,0|0,0,1]=3 289 B4R0.2 CC/C=N\O PXO [1,1,0,0,0,0|0,0,0]=2 290 B4R0.2 CCCCBr BBU [1,1,0,0,0,0|1,0,1]=4 291 B4R0.2 CCCCC LNK [1,1,0,0,0,0|1,0,1]=4 292 B4R0.2 CCCCN LYT [1,1,0,0,0,0|1,0,1]=4 293 B4R0.2 CCCCO 1BO [1,1,0,0,0,0|0,0,1]=3 294 B4R0.2 CCC[N+]#[C-] NPN [1,1,0,0,0,0|1,0,1]=4 295 B4R0.2 CCOC=O ETO [1,1,0,0,0,0|0,0,0]=2 296 B4R0.2 CCOCC ETZ [1,1,0,0,0,0|1,0,1]=4 297 B4R0.2 CCOC[O-] EOM [1,1,0,0,0,0|0,0,2]=4 298 B4R0.2 COCCO MXE [1,1,0,0,0,0|0,0,1]=3 299 B4R0.2 COCC[O-] MOE [1,1,0,0,0,0|0,0,2]=4 300 B4R0.3 CC(C)(C)O TBU [1,1,0,0,0,0|1,0,1]=4 301 B4R0.3 CP(=O)(O)O GB [1,1,0,0,0,0|1,0,0]=3 302 B4R0.3 CP(=O)(O)O PPM [1,1,0,0,0,0|1,0,0]=3 303 B4R0.3 CS(=O)(=O)O 03S [1,1,0,0,0,0|1,0,0]=3 304 B4R0.3 C[As](=O)(C)O CAD [1,1,0,0,0,0|1,0,0]=3 305 B4R0.3 C[As](=O)(C)[O-] CAC [1,1,0,0,0,0|1,0,1]=4 306 B4R0.3 C[P@](=O)(N)O PNO [1,1,0,0,0,0|1,0,0]=3 307 B4R0.3 NP(=O)(N)O 2PA [1,1,0,0,0,0|2,0,0]=4 308 B4R0.3 OP(=O)(O)S TS6 [1,1,0,0,0,0|2,0,0]=4 309 B4R0.3 OP(=O)(O)[O-] 2HP [1,1,0,0,0,0|2,0,0]=4 310 B4R0.3 OP(=O)([O-])[O-] IPS [1,1,0,0,0,0|2,0,0]=4 311 B4R0.3 OP(=O)([O-])[O-] PI [1,1,0,0,0,0|2,0,0]=4 312 B4R0.3 OS(=O)(=O)[O-] SOH [1,1,0,0,0,0|2,0,0]=4 313 B4R0.3 O[As](=O)([O-])[O-] 8AR [1,1,0,0,0,0|2,0,0]=4 314 B4R0.3 O[V](=O)([O-])[O-] I42 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,2,0,0,0,0|0,0,2]=4 316 B6R0.1 CCC(=O)OCC CA1 [0,2,0,0,0,0|0,0,0]=2 317 B6R0.1 CCC[C@@H](CO)O 1SP [0,2,0,0,0,0|0,0,2]=4 318 B6R0.1 CCNC(=O)OC MEC [0,2,0,0,0,0|0,0,0]=2 319 B6R0.1 CCOC(=O)CN GEE [0,2,0,0,0,0|1,0,0]=3 320 B6R0.1 CCOC(=O)NC EMB [0,2,0,0,0,0|1,0,0]=3 321 B6R0.1 C\C(=C\CO)\CO 6OM [0,2,0,0,0,0|1,0,1]=4 322 B6R0.2 C(C(=O)N)C(=O)O MLM [0,2,0,0,0,0|0,0,1]=3 323 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,2,0,0,0,0|0,0,1]=3 324 B6R0.2 C(C(=O)O)C(=O)O MLA [0,2,0,0,0,0|0,0,1]=3 325 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,2,0,0,0,0|0,0,2]=4 326 B6R0.2 CC(=O)CC(=O)C P2D [0,2,0,0,0,0|1,0,0]=3 327 B6R0.2 CC(=O)CC(=O)O AAE [0,2,0,0,0,0|0,0,0]=2 328 B6R0.2 CC(=O)CC(=O)O LIN [0,2,0,0,0,0|0,0,0]=2 329 B6R0.2 CC(C)CC(=O)O IVA [0,2,0,0,0,0|0,0,0]=2 330 B6R0.2 CC(C)SC(=N)N IPU [0,2,0,0,0,0|2,0,0]=4 331 B6R0.2 CN(C)CC(=O)O DMG [0,2,0,0,0,0|0,0,0]=2 332 B6R0.2 CS(C)CC(=O)O 313 [0,2,0,0,0,0|0,0,0]=2 333 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,2,0,0,0,0|0,0,0]=2 334 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,2,0,0,0,0|0,0,0]=2 335 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,2,0,0,0,0|0,0,0]=2 336 B6R0.3 C#C[C@@H](C(=O)O)N LPG [0,2,0,0,0,0|0,0,1]=3 337 B6R0.3 C(=C(/C(=O)O)\N)\S BB9 [0,2,0,0,0,0|0,0,2]=4 338 B6R0.3 C(=C(\C(=O)O)/N)/[SeH] 30F [0,2,0,0,0,0|0,0,2]=4 339 B6R0.3 C(C(=O)C(=O)O)Br BPV [0,2,0,0,0,0|0,0,1]=3 340 B6R0.3 C(C(=O)C(=O)O)F 65S [0,2,0,0,0,0|0,0,1]=3 341 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,2,0,0,0,0|0,0,1]=3 342 B6R0.3 C([C@@H](C(=O)N)N)O SET [0,2,0,0,0,0|1,0,0]=3 343 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [0,2,0,0,0,0|1,0,0]=3 344 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [0,2,0,0,0,0|0,0,0]=2 345 B6R0.3 C([C@@H](C(=O)O)N)N DPP [0,2,0,0,0,0|0,0,0]=2 346 B6R0.3 C([C@@H](C(=O)O)N)O SEG [0,2,0,0,0,0|0,0,0]=2 347 B6R0.3 C([C@@H](C(=O)O)N)O SER [0,2,0,0,0,0|0,0,0]=2 348 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [0,2,0,0,0,0|0,0,0]=2 349 B6R0.3 C([C@@H](C(=O)O)N)S BTC [0,2,0,0,0,0|0,0,0]=2 350 B6R0.3 C([C@@H](C(=O)O)N)S CYS [0,2,0,0,0,0|0,0,0]=2 351 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [0,2,0,0,0,0|0,0,0]=2 352 B6R0.3 C([C@@H](C(=O)O)N)S FCY [0,2,0,0,0,0|0,0,0]=2 353 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [0,2,0,0,0,0|0,0,0]=2 354 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [0,2,0,0,0,0|0,0,0]=2 355 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [0,2,0,0,0,0|0,0,0]=2 356 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [0,2,0,0,0,0|0,0,0]=2 357 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [0,2,0,0,0,0|0,0,0]=2 358 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [0,2,0,0,0,0|0,0,0]=2 359 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [0,2,0,0,0,0|0,0,0]=2 360 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [0,2,0,0,0,0|0,0,0]=2 361 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [0,2,0,0,0,0|0,0,0]=2 362 B6R0.3 C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 [0,2,0,0,0,0|0,0,1]=3 363 B6R0.3 C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 [0,2,0,0,0,0|0,0,1]=3 364 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG [0,2,0,0,0,0|0,0,1]=3 365 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG [0,2,0,0,0,0|0,0,1]=3 366 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW [0,2,0,0,0,0|0,0,1]=3 367 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW [0,2,0,0,0,0|0,0,1]=3 368 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG [0,2,0,0,0,0|0,0,1]=3 369 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG [0,2,0,0,0,0|0,0,1]=3 370 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [0,2,0,0,0,0|0,0,0]=2 371 B6R0.3 C([C@H](C(=O)O)N)N 2RA [0,2,0,0,0,0|0,0,0]=2 372 B6R0.3 C([C@H](C(=O)O)N)O DSN [0,2,0,0,0,0|0,0,0]=2 373 B6R0.3 C([C@H](C(=O)O)N)S DCY [0,2,0,0,0,0|0,0,0]=2 374 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [0,2,0,0,0,0|0,0,0]=2 375 B6R0.3 C([C@H](C(=O)O)O)O DGY [0,2,0,0,0,0|0,0,0]=2 376 B6R0.3 C([C@H](C(O)O)O)O 03W [0,2,0,0,0,0|0,0,2]=4 377 B6R0.3 C/C=C(/C(=O)O)\N DBU [0,2,0,0,0,0|0,0,1]=3 378 B6R0.3 C=C(C[SeH])C(=O)O CC4 [0,2,0,0,0,0|0,0,1]=3 379 B6R0.3 C=C[C@@H](C(=O)O)N LVG [0,2,0,0,0,0|0,0,1]=3 380 B6R0.3 C=C[C@H](C(=O)[O-])[NH3+] A3B [0,2,0,0,0,0|0,0,2]=4 381 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,2,0,0,0,0|1,0,0]=3 382 B6R0.3 CC(C)[C@@H](CO)N VOL [0,2,0,0,0,0|1,0,1]=4 383 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,2,0,0,0,0|1,0,1]=4 384 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,2,0,0,0,0|1,0,1]=4 385 B6R0.3 CCC(=O)C(=O)O 2KT [0,2,0,0,0,0|0,0,0]=2 386 B6R0.3 CCC(C(=O)O)N AA3 [0,2,0,0,0,0|0,0,0]=2 387 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,2,0,0,0,0|0,0,0]=2 388 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,2,0,0,0,0|0,0,0]=2 389 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,2,0,0,0,0|0,0,0]=2 390 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,2,0,0,0,0|0,0,0]=2 391 B6R0.3 CC[C@H](C(=O)O)N DBB [0,2,0,0,0,0|0,0,0]=2 392 B6R0.3 CC[C@H](C)C(=O)O SMB [0,2,0,0,0,0|0,0,0]=2 393 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,2,0,0,0,0|1,0,1]=4 394 B6R0.3 CN(C=C)C(=O)O EMM [0,2,0,0,0,0|1,0,0]=3 395 B6R0.3 CNC(=C)C(=O)O DAM [0,2,0,0,0,0|0,0,1]=3 396 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,2,0,0,0,0|1,0,0]=3 397 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,2,0,0,0,0|1,0,0]=3 398 B6R0.3 C[C@@H](C(=O)NO)N HMA [0,2,0,0,0,0|0,0,0]=2 399 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,2,0,0,0,0|0,0,0]=2 400 B6R0.3 C[C@@H](C(=O)OC)N MA [0,2,0,0,0,0|0,0,0]=2 401 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,2,0,0,0,0|0,0,0]=2 402 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,2,0,0,0,0|0,0,1]=3 403 B6R0.3 C[C@H](C(=O)O)NC 33X [0,2,0,0,0,0|0,0,0]=2 404 B6R0.3 C[C@H](CO)C(=O)O HIU [0,2,0,0,0,0|0,0,0]=2 405 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,2,0,0,0,0|0,0,0]=2 406 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,2,0,0,0,0|1,0,1]=4 407 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,2,0,0,0,0|1,0,1]=4 408 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,2,0,0,0,0|1,0,1]=4 409 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [0,2,0,0,0,0|1,0,1]=4 410 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,2,0,0,0,0|1,0,1]=4 411 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [0,2,0,0,0,0|1,0,1]=4 412 B6R0.3 C\C=C(\C)/C(=O)O MB8 [0,2,0,0,0,0|0,0,1]=3 413 B6R0.3 N=C(/CO)\C(=O)O MH6 [0,2,0,0,0,0|0,0,1]=3 414 B6R0.3 N=C(/CO)\C(=O)O SRI [0,2,0,0,0,0|0,0,1]=3 415 B6R0.4 B(CCCC)(O)O BUB [0,2,0,0,0,0|1,0,1]=4 416 B6R0.4 C#CCCC(=O)O 54L [0,2,0,0,0,0|0,0,0]=2 417 B6R0.4 C(CC(=O)O)C=O SSN [0,2,0,0,0,0|0,0,0]=2 418 B6R0.4 C(CC(=O)O)CBr 0A5 [0,2,0,0,0,0|0,0,0]=2 419 B6R0.4 C(CC(=O)O)CN ABU [0,2,0,0,0,0|0,0,0]=2 420 B6R0.4 C(CSS)C(=O)O 3SS [0,2,0,0,0,0|0,0,0]=2 421 B6R0.4 CCCCC(=O)O LEA [0,2,0,0,0,0|0,0,0]=2 422 B6R0.4 CCCCC(=O)O PEI [0,2,0,0,0,0|0,0,0]=2 423 B6R0.4 CCCOC(=O)C 4PA [0,2,0,0,0,0|1,0,0]=3 424 B6R0.4 CCNCC(=O)O 2JC [0,2,0,0,0,0|0,0,0]=2 425 B6R0.5 C(C=O)P(=O)(O)O POA [0,2,0,0,0,0|1,0,1]=4 426 B6R0.5 C(CP(=O)(O)O)N P7I [0,2,0,0,0,0|1,0,0]=3 427 B6R0.5 C(CP(=O)(O)O)O 2HE [0,2,0,0,0,0|1,0,0]=3 428 B6R0.5 C(CS(=O)(=O)O)N TAU [0,2,0,0,0,0|1,0,0]=3 429 B6R0.5 C(CS(=O)(=O)O)S COM [0,2,0,0,0,0|1,0,0]=3 430 B6R0.5 C=CCP(=O)(O)O 57H [0,2,0,0,0,0|1,0,1]=4 431 B6R0.5 CCNP(=O)(O)O TCX [0,2,0,0,0,0|1,0,0]=3 432 B6R0.5 CCOP(=O)(O)O EFS [0,2,0,0,0,0|1,0,0]=3 433 B6R0.5 CCO[P@](=O)(C)O VX [0,2,0,0,0,0|1,0,0]=3 434 B6R0.7 C(=O)(C(F)(F)Br)O FPA [0,2,0,0,0,0|1,0,0]=3 435 B6R0.7 C(=O)(C(F)(F)F)O TFA [0,2,0,0,0,0|1,0,0]=3 436 B6R0.7 C(=O)(O)P(=O)(O)O PPF [0,2,0,0,0,0|2,0,0]=4 437 B6R0.7 CC(C)(C(=O)O)Br B2P [0,2,0,0,0,0|0,0,0]=2 438 B6R0.7 CC(C)(C(=O)O)N AIB [0,2,0,0,0,0|0,0,0]=2 439 B6R0.7 CC(C)(C)C(=O)N TAY [0,2,0,0,0,0|1,0,0]=3 440 B6R0.7 CC(C)(C)C(=O)O PIV [0,2,0,0,0,0|0,0,0]=2 441 B6R0.7 CN(C)S(=O)(=O)O MAS [0,2,0,0,0,0|2,0,0]=4 442 B6R0.7 C[C@@H]([C@@](N)(O)[O-])O PY0 [0,2,0,0,0,0|0,0,2]=4 443 B6R0.7 C[C@H](N)P(=O)(O)O GG7 [0,2,0,0,0,0|1,0,0]=3 444 B6R1.2 B1(OCCO1)O SBE [0,1,0,1,0,0|1,0,1]=4 445 B6R1.2 C1CC(=O)NC1 BAQ [0,1,0,1,0,0|1,0,0]=3 446 B6R1.2 C1CC(=O)OC1 GBL [0,1,0,1,0,0|0,0,0]=2 447 B6R1.2 C1CCC(=O)C1 MFW [0,1,0,1,0,0|1,0,0]=3 448 B6R1.2 C1CCC(C1)O YEG [0,1,0,1,0,0|1,0,1]=4 449 B6R1.2 C1CNC[C@H]1O 6SP [0,1,0,1,0,0|1,0,1]=4 450 B6R1.2 C1CSC(=N1)N ATQ [0,1,0,1,0,0|1,1,0]=4