0 B4R0.1 C(=C(Cl)Cl)Cl TCV [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C(=N)(N)NN AGU [0,0,0,0,0,0|4,0,0]=4 2 B4R0.1 C(=N)(N)NO HGU [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 C(=O)(N)NO NHY [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C(=O)C(=O)O GLV [0,0,0,0,0,0|1,0,0]=1 5 B4R0.1 C(=S)(N)NN TSZ [0,0,0,0,0,0|3,1,0]=4 6 B4R0.1 C(C(=O)N)F FTM [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C(C(=O)N)N GM1 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C(C(=O)O)Br BRM [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C(C(=O)O)Br BXA [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 C(C(=O)O)Cl R3W [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C(C(=O)O)F FAH [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C(C(=O)O)I 04E [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C(C(=O)O)N GLY [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C(C(=O)O)N GLY_LFOH [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 C(C(=O)O)O GOA [0,0,0,0,0,0|1,0,2]=3 16 B4R0.1 C(C(=O)O)S MCR [0,0,0,0,0,0|1,1,1]=3 17 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [0,0,0,0,0,0|2,0,1]=3 18 B4R0.1 C(C(=O)S)N GL3 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 C=C(CO)Br BRP [0,0,0,0,0,0|1,0,3]=4 22 B4R0.1 C=CC(=O)N 1HC [0,0,0,0,0,0|2,0,0]=2 23 B4R0.1 C=CC(=O)O AKR [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 CC(=C)C=C 61G [0,0,0,0,0,0|2,0,0]=2 25 B4R0.1 CC(=C)CN IRS [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 CC(=O)C=O PVL [0,0,0,0,0,0|0,0,0]=0 27 B4R0.1 CC(=O)CCl ATO [0,0,0,0,0,0|1,0,1]=2 28 B4R0.1 CC(=O)CN GCM [0,0,0,0,0,0|1,0,1]=2 29 B4R0.1 CC(=O)CN GLM [0,0,0,0,0,0|1,0,1]=2 30 B4R0.1 CC(=O)CO 4Y8 [0,0,0,0,0,0|0,0,2]=2 31 B4R0.1 CC(=O)NC NML [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 CC(=O)NO HAE [0,0,0,0,0,0|1,0,1]=2 33 B4R0.1 CC(=O)OO F50 [0,0,0,0,0,0|1,0,1]=2 34 B4R0.1 CC(=O)O[Hg+] MAC [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 CC(C)C=O 5OZ [0,0,0,0,0,0|1,0,1]=2 36 B4R0.1 CC(C)CN IBN [0,0,0,0,0,0|2,0,2]=4 37 B4R0.1 CC=C(C)C 2MB [0,0,0,0,0,0|2,0,0]=2 38 B4R0.1 CCC(=O)N ROP [0,0,0,0,0,0|2,0,1]=3 39 B4R0.1 CCC(=O)O PPI [0,0,0,0,0,0|2,0,1]=3 40 B4R0.1 CC[C@H](C)O SBT [0,0,0,0,0,0|1,0,3]=4 41 B4R0.1 CC[N+](=O)[O-] NIE [0,0,0,0,0,0|3,0,1]=4 42 B4R0.1 CN(C)C=O DMF [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 CN(C)[Zn]O DOZ [0,0,0,0,0,0|3,0,1]=4 44 B4R0.1 CNC(=O)N NMU [0,0,0,0,0,0|3,0,0]=3 45 B4R0.1 CNC(=O)O RGI [0,0,0,0,0,0|3,0,0]=3 46 B4R0.1 COC(=O)O 000 [0,0,0,0,0,0|3,0,0]=3 47 B4R0.1 C[C@@H](C=O)N 5XU [0,0,0,0,0,0|1,0,1]=2 48 B4R0.1 C[C@@H](CBr)O EBH [0,0,0,0,0,0|1,0,3]=4 49 B4R0.1 C[C@@H](CCl)Cl CP2 [0,0,0,0,0,0|2,0,2]=4 50 B4R0.1 C[C@@H](CO)N 2A1 [0,0,0,0,0,0|1,0,3]=4 51 B4R0.1 C[C@@H](CO)O PGO [0,0,0,0,0,0|0,0,4]=4 52 B4R0.1 C[C@@H](CO)O PGQ [0,0,0,0,0,0|0,0,4]=4 53 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [0,0,0,0,0,0|1,0,2]=3 54 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [0,0,0,0,0,0|1,0,2]=3 55 B4R0.1 C[C@H](CBr)O 1BP [0,0,0,0,0,0|1,0,3]=4 56 B4R0.1 C[C@H](CO)N 2A3 [0,0,0,0,0,0|1,0,3]=4 57 B4R0.1 C[C@H](CO)O HP3 [0,0,0,0,0,0|0,0,4]=4 58 B4R0.1 C[C@H](CO)O PGR [0,0,0,0,0,0|0,0,4]=4 59 B4R0.1 C[C@H](C[NH3+])O FOP [0,0,0,0,0,0|1,0,3]=4 60 B4R0.1 N=C(\N)/NC MGX [0,0,0,0,0,0|4,0,0]=4 61 B4R0.1 O[Mo+4](=O)S[Cu+] CUN [0,0,0,0,0,0|4,0,0]=4 62 B4R0.1 O[Mo+6](=O)S[Cu+] CUM [0,0,0,0,0,0|4,0,0]=4 63 B3R0.1 C(=C/Br)/Br CB0 [1,0,0,0,0,0|2,0,0]=3 64 B3R0.1 C(=CS)N TEE [1,0,0,0,0,0|1,1,0]=3 65 B3R0.1 C(=O)C=O GXT [1,0,0,0,0,0|0,0,0]=1 66 B3R0.1 C(C=O)N GLZ [1,0,0,0,0,0|1,0,1]=3 67 B3R0.1 C(N)[SH]=O OSM [1,0,0,0,0,0|2,0,1]=4 68 B3R0.1 C([C-]=O)[NH-] GLY_LL [1,0,0,0,0,0|1,0,2]=4 69 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [1,0,0,0,0,0|1,0,2]=4 70 B3R0.1 C=CC#N 6AC [1,0,0,0,0,0|1,0,2]=4 71 B3R0.1 C=CCN AYE [1,0,0,0,0,0|1,0,2]=4 72 B3R0.1 C=CCO 5VQ [1,0,0,0,0,0|0,0,3]=4 73 B3R0.1 CCC#N CNV [1,0,0,0,0,0|1,0,2]=4 74 B3R0.1 CCC=O CBG [1,0,0,0,0,0|0,0,1]=2 75 B3R0.1 CCC=O PNL [1,0,0,0,0,0|0,0,1]=2 76 B3R0.1 CCCBr 3BR [1,0,0,0,0,0|1,0,2]=4 77 B3R0.1 CCCC BUT [1,0,0,0,0,0|1,0,2]=4 78 B3R0.1 CCCC NBU [1,0,0,0,0,0|1,0,2]=4 79 B3R0.1 CCCC SBU [1,0,0,0,0,0|1,0,2]=4 80 B3R0.1 CCCN 3CN [1,0,0,0,0,0|1,0,2]=4 81 B3R0.1 CCCO POL [1,0,0,0,0,0|0,0,3]=4 82 B3R0.1 CCCS XL3 [1,0,0,0,0,0|0,1,2]=4 83 B3R0.1 CCN=O NOE [1,0,0,0,0,0|1,0,1]=3 84 B3R0.1 CCNC ETN [1,0,0,0,0,0|2,0,1]=4 85 B3R0.1 CCOC 2ME [1,0,0,0,0,0|2,0,1]=4 86 B3R0.1 CC[N+]#C ENC [1,0,0,0,0,0|2,0,1]=4 87 B3R0.1 CNC=S MTF [1,0,0,0,0,0|1,1,0]=3 88 B3R0.1 C\C=C/N AKK [1,0,0,0,0,0|1,0,0]=2 89 B3R0.1 C\C=N\O AXO [1,0,0,0,0,0|1,0,1]=3 90 B3R0.1 N=C\CN AEM [1,0,0,0,0,0|2,0,1]=4 91 B3R0.2 BN(C)C 7BZ [1,0,0,0,0,0|2,0,1]=4 92 B3R0.2 C(=N)(N)N GAI [1,0,0,0,0,0|3,0,0]=4 93 B3R0.2 C(=O)(N)N URE [1,0,0,0,0,0|2,0,0]=3 94 B3R0.2 C(=O)(N)O OUT [1,0,0,0,0,0|1,0,1]=3 95 B3R0.2 C(=O)(O)[O-] BCT [1,0,0,0,0,0|1,0,1]=3 96 B3R0.2 C(=O)([O-])[O-] CO3 [1,0,0,0,0,0|1,0,1]=3 97 B3R0.2 C(=S)(N)N TOU [1,0,0,0,0,0|2,1,0]=4 98 B3R0.2 C(=S)(S)S KCS [1,0,0,0,0,0|1,2,0]=4 99 B3R0.2 C(=[Se])(N)N SEY [1,0,0,0,0,0|2,1,0]=4 100 B3R0.2 CC(=C)C MEB [1,0,0,0,0,0|1,0,0]=2 101 B3R0.2 CC(=O)C ACN [1,0,0,0,0,0|0,0,1]=2 102 B3R0.2 CC(=O)N ACM [1,0,0,0,0,0|1,0,0]=2 103 B3R0.2 CC(=O)N CNM [1,0,0,0,0,0|1,0,0]=2 104 B3R0.2 CC(=O)O ACY [1,0,0,0,0,0|0,0,1]=2 105 B3R0.2 CC(=O)O CBM [1,0,0,0,0,0|0,0,1]=2 106 B3R0.2 CC(=O)O CM [1,0,0,0,0,0|0,0,1]=2 107 B3R0.2 CC(=O)[O-] ACT [1,0,0,0,0,0|0,0,1]=2 108 B3R0.2 CC(C)O IOH [1,0,0,0,0,0|0,0,3]=4 109 B3R0.2 CC(C)O IPA [1,0,0,0,0,0|0,0,3]=4 110 B3R0.2 CN(C)C KEN [1,0,0,0,0,0|2,0,1]=4 111 B3R0.2 CS(=O)C DMS [1,0,0,0,0,0|1,0,1]=3 112 B3R0.2 C[P@H](=O)O MPS [1,0,0,0,0,0|1,0,1]=3 113 B3R0.2 C[P@H](=O)O SOM [1,0,0,0,0,0|1,0,1]=3 114 B3R0.2 C[P@H](=O)[O-] VXA [1,0,0,0,0,0|1,0,1]=3 115 B3R0.2 C[Pb+](C)C PBM [1,0,0,0,0,0|2,0,1]=4 116 B3R0.2 O=[Mo](=O)=S SMO [1,0,0,0,0,0|2,0,0]=3 117 B3R0.2 O=[Mo](=O)S MOS [1,0,0,0,0,0|2,0,0]=3 118 B3R0.2 O=[V-](=O)=O VN3 [1,0,0,0,0,0|2,0,0]=3 119 B3R0.2 OBr(=O)=O 202 [1,0,0,0,0,0|2,0,0]=3 120 B3R0.2 OP(=O)O PHS [1,0,0,0,0,0|2,0,1]=4 121 B3R0.2 O[Mo+6](=O)O OMO [1,0,0,0,0,0|2,0,1]=4 122 B3R0.2 O[Mo](=O)=O MOM [1,0,0,0,0,0|2,0,0]=3 123 B3R0.2 O[SH](=O)O SFO [1,0,0,0,0,0|2,0,1]=4 124 B3R0.2 O[Se](=O)[O-] BSY [1,0,0,0,0,0|2,0,1]=4 125 B3R0.2 [N+](=O)([O-])[O-] NO3 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.2 [O-]Cl(=O)=O LCO [1,0,0,0,0,0|2,0,0]=3 127 B3R0.2 [O-]P(=O)[O-] 2PO [1,0,0,0,0,0|2,0,1]=4 128 B3R0.2 [O-]S(=O)=O SFN [1,0,0,0,0,0|2,0,0]=3 129 B3R0.2 [O-]S(=O)[O-] SO3 [1,0,0,0,0,0|2,0,1]=4 130 B3R0.2 [O-][P-](=O)[O-] PO3 [1,0,0,0,0,0|2,0,1]=4 131 B3R0.2 [O-][V](=O)=O VN4 [1,0,0,0,0,0|2,0,0]=3 132 B5R0.1 C(C(=O)O)ON AOA [0,1,0,0,0,0|1,0,2]=4 133 B5R0.1 C(CN)C(=O)O BAL [0,1,0,0,0,0|2,0,1]=4 134 B5R0.1 C(CO)C(=O)O 3OH [0,1,0,0,0,0|1,0,2]=4 135 B5R0.1 C(CS)C(=O)O MPT [0,1,0,0,0,0|1,1,1]=4 136 B5R0.1 C(C[SeH])C(=O)O SLP [0,1,0,0,0,0|1,1,1]=4 137 B5R0.1 CC(=O)CCO BUQ [0,1,0,0,0,0|0,0,2]=3 138 B5R0.1 CC=CC(=O)O BEO [0,1,0,0,0,0|2,0,0]=3 139 B5R0.1 CCCC(=O)C PNH [0,1,0,0,0,0|1,0,1]=3 140 B5R0.1 CCCC(=O)N BMD [0,1,0,0,0,0|2,0,1]=4 141 B5R0.1 CCCC(=O)O BUA [0,1,0,0,0,0|2,0,1]=4 142 B5R0.1 CCOC(=O)C EEE [0,1,0,0,0,0|1,0,1]=3 143 B5R0.1 CCOC(=O)O 01F [0,1,0,0,0,0|2,0,1]=4 144 B5R0.1 CNCC(=O)O MGY [0,1,0,0,0,0|2,0,1]=4 145 B5R0.1 CNCC(=O)O SAR [0,1,0,0,0,0|2,0,1]=4 146 B5R0.1 CSCC(=O)[O-] MTG [0,1,0,0,0,0|1,1,1]=4 147 B5R0.1 CSC[S@@](=O)C DSS [0,1,0,0,0,0|1,1,1]=4 148 B5R0.1 C[C@H](CC=O)O 5KO [0,1,0,0,0,0|0,0,2]=3 149 B5R0.1 C[Se]CC(=O)[O-] MSF [0,1,0,0,0,0|1,1,1]=4 150 B5R0.1 C[Te]CC(=O)[O-] MTD [0,1,0,0,0,0|1,1,1]=4 151 B5R0.3 C(C(=O)CCl)Cl CHM [0,1,0,0,0,0|1,0,1]=3 152 B5R0.3 C(C(=O)CO)O 2HA [0,1,0,0,0,0|0,0,2]=3 153 B5R0.3 C(C(C=O)O)O GXV [0,1,0,0,0,0|0,0,2]=3 154 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [0,1,0,0,0,0|1,0,2]=4 155 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [0,1,0,0,0,0|1,0,2]=4 156 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [0,1,0,0,0,0|1,0,2]=4 157 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [0,1,0,0,0,0|1,0,2]=4 158 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [0,1,0,0,0,0|1,0,2]=4 159 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [0,1,0,0,0,0|1,0,2]=4 160 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [0,1,0,0,0,0|1,0,2]=4 161 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [0,1,0,0,0,0|1,0,2]=4 162 B5R0.3 C([C@H](C=O)O)O 3GR [0,1,0,0,0,0|0,0,2]=3 163 B5R0.3 CNC(=O)NC MMU [0,1,0,0,0,0|2,0,0]=3 164 B5R0.3 COC(=O)CN MEU [0,1,0,0,0,0|1,0,1]=3 165 B5R0.4 C(=O)C(Cl)(Cl)Cl CLX [0,1,0,0,0,0|2,0,1]=4 166 B5R0.4 C=CS(=O)(=O)O VSO [0,1,0,0,0,0|3,0,0]=4 167 B5R0.4 CSS(=O)(=O)C Z22 [0,1,0,0,0,0|3,0,0]=4 168 B5R0.5 C(=O)(C(=O)O)N OXM [0,1,0,0,0,0|1,0,0]=2 169 B5R0.5 C(=O)(C(=O)O)O OXD [0,1,0,0,0,0|1,0,0]=2 170 B5R0.5 C(=O)(C(=O)[O-])[O-] OXL [0,1,0,0,0,0|1,0,0]=2 171 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.5 C=C(C(=O)N)N PYT [0,1,0,0,0,0|1,0,1]=3 173 B5R0.5 C=C(C(=O)O)N DHA [0,1,0,0,0,0|1,0,1]=3 174 B5R0.5 CC(=O)C(=O)N PYM [0,1,0,0,0,0|0,0,0]=1 175 B5R0.5 CC(=O)C(=O)O PYR [0,1,0,0,0,0|0,0,0]=1 176 B5R0.5 CC(=O)N(C)C 5Y9 [0,1,0,0,0,0|2,0,0]=3 177 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [0,1,0,0,0,0|1,0,0]=2 178 B5R0.5 CC(C)C(=O)N IBO [0,1,0,0,0,0|1,0,1]=3 179 B5R0.5 CC(C)C(=O)O ALQ [0,1,0,0,0,0|1,0,1]=3 180 B5R0.5 CC(C)C(=O)O ISB [0,1,0,0,0,0|1,0,1]=3 181 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,1,0,0,0,0|2,0,1]=4 182 B5R0.5 C[C@@H](C(=O)C)N ALM [0,1,0,0,0,0|1,0,1]=3 183 B5R0.5 C[C@@H](C(=O)C)O HBS [0,1,0,0,0,0|0,0,2]=3 184 B5R0.5 C[C@@H](C(=O)N)N 66N [0,1,0,0,0,0|1,0,1]=3 185 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,1,0,0,0,0|1,0,1]=3 186 B5R0.5 C[C@@H](C(=O)O)N ALA [0,1,0,0,0,0|1,0,1]=3 187 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,1,0,0,0,0|1,0,1]=3 188 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,1,0,0,0,0|0,0,2]=3 189 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,1,0,0,0,0|1,0,1]=3 190 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,1,0,0,0,0|1,0,1]=3 192 B5R0.5 C[C@@H](C(=S)O)N ALT [0,1,0,0,0,0|1,0,2]=4 193 B5R0.5 C[C@H](C(=O)C)O HBR [0,1,0,0,0,0|0,0,2]=3 194 B5R0.5 C[C@H](C(=O)O)F 4LT [0,1,0,0,0,0|1,0,1]=3 195 B5R0.5 C[C@H](C(=O)O)N DAL [0,1,0,0,0,0|1,0,1]=3 196 B5R0.5 C[C@H](C(=O)O)O DLA [0,1,0,0,0,0|0,0,2]=3 197 B5R0.5 C[C@H](C(=O)O)O LAC [0,1,0,0,0,0|0,0,2]=3 198 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,1,0,0,0,0|1,0,2]=4 199 B5R0.5 [O-]S(=O)S(=O)[O-] DTN [0,1,0,0,0,0|3,0,0]=4 200 B2R0.1 C(=O)=O CO2 [2,0,0,0,0,0|0,0,1]=3 201 B2R0.1 C(=O)N ARF [2,0,0,0,0,0|1,0,0]=3 202 B2R0.1 C(=O)O CBX [2,0,0,0,0,0|0,0,1]=3 203 B2R0.1 C(=O)O FMT [2,0,0,0,0,0|0,0,1]=3 204 B2R0.1 C=[N+]=[N-] 0HQ [2,0,0,0,0,0|2,0,0]=4 205 B2R0.1 CC#N CCN [2,0,0,0,0,0|1,0,1]=4 206 B2R0.1 CC=O ACE [2,0,0,0,0,0|0,0,0]=2 207 B2R0.1 CC=O ACU [2,0,0,0,0,0|0,0,0]=2 208 B2R0.1 CC=O MCB [2,0,0,0,0,0|0,0,0]=2 209 B2R0.1 CCBr BBX [2,0,0,0,0,0|1,0,1]=4 210 B2R0.1 CCC TME [2,0,0,0,0,0|0,0,2]=4 211 B2R0.1 CCCl MCE [2,0,0,0,0,0|1,0,1]=4 212 B2R0.1 CCI ETI [2,0,0,0,0,0|1,0,1]=4 213 B2R0.1 CCN NEH [2,0,0,0,0,0|1,0,1]=4 214 B2R0.1 CCO EOH [2,0,0,0,0,0|0,0,2]=4 215 B2R0.1 CCO EOX [2,0,0,0,0,0|0,0,2]=4 216 B2R0.1 CCO OHE [2,0,0,0,0,0|0,0,2]=4 217 B2R0.1 CCS SCC [2,0,0,0,0,0|0,1,1]=4 218 B2R0.1 CCS XL1 [2,0,0,0,0,0|0,1,1]=4 219 B2R0.1 CC[Hg+] EMC [2,0,0,0,0,0|1,0,1]=4 220 B2R0.1 CC[O] OXA [2,0,0,0,0,0|0,0,2]=4 221 B2R0.1 CN=N HDN [2,0,0,0,0,0|2,0,0]=4 222 B2R0.1 CN=O NSM [2,0,0,0,0,0|1,0,0]=3 223 B2R0.1 CNC DMN [2,0,0,0,0,0|1,0,1]=4 224 B2R0.1 COC 2F2 [2,0,0,0,0,0|1,0,1]=4 225 B2R0.1 CSC MSM [2,0,0,0,0,0|1,0,1]=4 226 B2R0.1 C[N+]#[C-] MNC [2,0,0,0,0,0|1,0,1]=4 227 B2R0.1 N(=O)[O-] NO2 [2,0,0,0,0,0|1,0,1]=4 228 B2R0.1 N(=O)[O] 2NO [2,0,0,0,0,0|1,0,1]=4 229 B2R0.1 N=C/C E1H [2,0,0,0,0,0|1,0,0]=3 230 B2R0.1 O=S=O SO2 [2,0,0,0,0,0|1,0,0]=3 231 B2R0.1 O=[Mo]=O 2MO [2,0,0,0,0,0|1,0,0]=3 232 B2R0.1 O=[Mo]=O MM4 [2,0,0,0,0,0|1,0,0]=3 233 B2R0.1 O=[Mo]S MOW [2,0,0,0,0,0|1,1,0]=4 234 B2R0.1 [O-]P=O PO2 [2,0,0,0,0,0|1,0,1]=4 235 B4R0.2 C(C=O)C=O MDD [1,1,0,0,0,0|0,0,0]=2 236 B4R0.2 C(CS)C=O MPR [1,1,0,0,0,0|0,0,1]=3 237 B4R0.2 C/C=C/C=O CRD [1,1,0,0,0,0|0,0,0]=2 238 B4R0.2 CC/C=N\O PXO [1,1,0,0,0,0|0,0,2]=4 239 B4R0.2 CCOC=O ETO [1,1,0,0,0,0|0,0,1]=3 240 B4R0.3 CP(=O)(O)O GB [1,1,0,0,0,0|1,0,1]=4 241 B4R0.3 CP(=O)(O)O PPM [1,1,0,0,0,0|1,0,1]=4 242 B4R0.3 CS(=O)(=O)O 03S [1,1,0,0,0,0|1,0,0]=3 243 B4R0.3 C[As](=O)(C)O CAD [1,1,0,0,0,0|1,0,1]=4 244 B4R0.3 C[As](=O)(C)[O-] CAC [1,1,0,0,0,0|1,0,1]=4 245 B4R0.3 C[P@](=O)(N)O PNO [1,1,0,0,0,0|1,0,1]=4 246 B4R0.3 OS(=O)(=O)[O-] SOH [1,1,0,0,0,0|2,0,0]=4 247 B4R0.3 [O-]Cl(=O)(=O)=O LCP [1,1,0,0,0,0|2,0,0]=4 248 B4R0.3 [O-]I(=O)(=O)=O PEJ [1,1,0,0,0,0|2,0,0]=4 249 B4R0.3 [O-]S(=O)(=O)[O-] SO4 [1,1,0,0,0,0|2,0,0]=4 250 B4R0.3 [O-]S(=O)(=O)[O-] SUL [1,1,0,0,0,0|2,0,0]=4 251 B4R0.3 [O-]S(=O)(=O)[S-] THJ [1,1,0,0,0,0|2,0,0]=4 252 B4R0.3 [O-][Cr](=O)(=O)[O-] CQ4 [1,1,0,0,0,0|2,0,0]=4 253 B4R0.3 [O-][Mo](=O)(=O)[O-] MOO [1,1,0,0,0,0|2,0,0]=4 254 B4R0.3 [O-][Re](=O)(=O)=O REO [1,1,0,0,0,0|2,0,0]=4 255 B4R0.3 [O-][Se](=O)(=O)[O-] SE4 [1,1,0,0,0,0|2,0,0]=4 256 B4R0.3 [O-][W](=O)(=O)[O-] WO4 [1,1,0,0,0,0|2,0,0]=4 257 B6R0.1 C([C@@H](C=O)[NH3+])S[SeH] EYS [0,2,0,0,0,0|1,0,1]=4 258 B6R0.1 CCC(=O)OCC CA1 [0,2,0,0,0,0|1,0,1]=4 259 B6R0.1 CCNC(=O)OC MEC [0,2,0,0,0,0|1,0,1]=4 260 B6R0.1 CCOC(=O)CN GEE [0,2,0,0,0,0|1,0,1]=4 261 B6R0.1 CCOC(=O)NC EMB [0,2,0,0,0,0|1,0,1]=4 262 B6R0.1 C\C(=C\CO)\CO 6OM [0,2,0,0,0,0|0,0,2]=4 263 B6R0.2 C(C(=O)N)C(=O)O MLM [0,2,0,0,0,0|1,0,0]=3 264 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,2,0,0,0,0|1,0,0]=3 265 B6R0.2 C(C(=O)O)C(=O)O MLA [0,2,0,0,0,0|1,0,0]=3 266 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,2,0,0,0,0|1,0,0]=3 267 B6R0.2 CC(=O)CC(=O)C P2D [0,2,0,0,0,0|0,0,0]=2 268 B6R0.2 CC(=O)CC(=O)O AAE [0,2,0,0,0,0|0,0,0]=2 269 B6R0.2 CC(=O)CC(=O)O LIN [0,2,0,0,0,0|0,0,0]=2 270 B6R0.2 CC(C)CC(=O)O IVA [0,2,0,0,0,0|1,0,1]=4 271 B6R0.2 CN(C)CC(=O)O DMG [0,2,0,0,0,0|2,0,0]=4 272 B6R0.2 CS(C)CC(=O)O 313 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,2,0,0,0,0|1,0,1]=4 274 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,2,0,0,0,0|0,0,2]=4 275 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,2,0,0,0,0|0,0,2]=4 276 B6R0.3 C(=C(/C(=O)O)\N)\S BB9 [0,2,0,0,0,0|1,0,1]=4 277 B6R0.3 C(=C(\C(=O)O)/N)/[SeH] 30F [0,2,0,0,0,0|1,0,1]=4 278 B6R0.3 C(C(=O)C(=O)O)Br BPV [0,2,0,0,0,0|0,0,0]=2 279 B6R0.3 C(C(=O)C(=O)O)F 65S [0,2,0,0,0,0|0,0,0]=2 280 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,2,0,0,0,0|0,0,0]=2 281 B6R0.3 C([C@@H](C(=O)N)N)O SET [0,2,0,0,0,0|1,0,1]=4 282 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.3 C([C@@H](C(=O)O)N)N DPP [0,2,0,0,0,0|1,0,1]=4 285 B6R0.3 C([C@@H](C(=O)O)N)O SEG [0,2,0,0,0,0|1,0,1]=4 286 B6R0.3 C([C@@H](C(=O)O)N)O SER [0,2,0,0,0,0|1,0,1]=4 287 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [0,2,0,0,0,0|1,0,1]=4 288 B6R0.3 C([C@@H](C(=O)O)N)S BTC [0,2,0,0,0,0|1,0,1]=4 289 B6R0.3 C([C@@H](C(=O)O)N)S CYS [0,2,0,0,0,0|1,0,1]=4 290 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [0,2,0,0,0,0|1,0,1]=4 291 B6R0.3 C([C@@H](C(=O)O)N)S FCY [0,2,0,0,0,0|1,0,1]=4 292 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [0,2,0,0,0,0|1,0,1]=4 293 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [0,2,0,0,0,0|1,0,1]=4 294 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [0,2,0,0,0,0|1,0,1]=4 295 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [0,2,0,0,0,0|1,0,1]=4 296 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [0,2,0,0,0,0|1,0,1]=4 297 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [0,2,0,0,0,0|1,0,1]=4 298 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [0,2,0,0,0,0|1,0,1]=4 299 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [0,2,0,0,0,0|1,0,1]=4 300 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [0,2,0,0,0,0|1,0,1]=4 301 B6R0.3 C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 [0,2,0,0,0,0|1,0,1]=4 302 B6R0.3 C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 [0,2,0,0,0,0|1,0,1]=4 303 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG [0,2,0,0,0,0|1,0,1]=4 304 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG [0,2,0,0,0,0|1,0,1]=4 305 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW [0,2,0,0,0,0|1,0,1]=4 306 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW [0,2,0,0,0,0|1,0,1]=4 307 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG [0,2,0,0,0,0|1,0,1]=4 308 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG [0,2,0,0,0,0|1,0,1]=4 309 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [0,2,0,0,0,0|1,0,1]=4 310 B6R0.3 C([C@H](C(=O)O)N)N 2RA [0,2,0,0,0,0|1,0,1]=4 311 B6R0.3 C([C@H](C(=O)O)N)O DSN [0,2,0,0,0,0|1,0,1]=4 312 B6R0.3 C([C@H](C(=O)O)N)S DCY [0,2,0,0,0,0|1,0,1]=4 313 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [0,2,0,0,0,0|0,0,2]=4 314 B6R0.3 C([C@H](C(=O)O)O)O DGY [0,2,0,0,0,0|0,0,2]=4 315 B6R0.3 C/C=C(/C(=O)O)\N DBU [0,2,0,0,0,0|1,0,0]=3 316 B6R0.3 C=C(C[SeH])C(=O)O CC4 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.3 C=CC(=O)C(=C)N 6R3 [0,2,0,0,0,0|1,0,1]=4 318 B6R0.3 C=C[C@@H](C(=O)O)N LVG [0,2,0,0,0,0|2,0,0]=4 319 B6R0.3 C=C[C@H](C(=O)[O-])[NH3+] A3B [0,2,0,0,0,0|2,0,0]=4 320 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,2,0,0,0,0|0,0,2]=4 321 B6R0.3 CCC(=O)C(=O)O 2KT [0,2,0,0,0,0|0,0,0]=2 322 B6R0.3 CCC(C(=O)O)N AA3 [0,2,0,0,0,0|1,0,1]=4 323 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,2,0,0,0,0|1,0,1]=4 324 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,2,0,0,0,0|1,0,1]=4 325 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,2,0,0,0,0|1,0,1]=4 326 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,2,0,0,0,0|1,0,1]=4 327 B6R0.3 CC[C@H](C(=O)O)N DBB [0,2,0,0,0,0|1,0,1]=4 328 B6R0.3 CC[C@H](C)C(=O)O SMB [0,2,0,0,0,0|1,0,1]=4 329 B6R0.3 CN(C=C)C(=O)O EMM [0,2,0,0,0,0|2,0,0]=4 330 B6R0.3 CNC(=C)C(=O)O DAM [0,2,0,0,0,0|1,0,0]=3 331 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,2,0,0,0,0|1,0,1]=4 332 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,2,0,0,0,0|1,0,1]=4 333 B6R0.3 C[C@@H](C(=O)NO)N HMA [0,2,0,0,0,0|1,0,1]=4 334 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,2,0,0,0,0|1,0,1]=4 335 B6R0.3 C[C@@H](C(=O)OC)N MA [0,2,0,0,0,0|1,0,1]=4 336 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,2,0,0,0,0|1,0,1]=4 337 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,2,0,0,0,0|1,0,1]=4 338 B6R0.3 C[C@H](C(=O)O)NC 33X [0,2,0,0,0,0|1,0,1]=4 339 B6R0.3 C[C@H](CO)C(=O)O HIU [0,2,0,0,0,0|0,0,2]=4 340 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,2,0,0,0,0|0,1,1]=4 341 B6R0.3 C\C=C(\C)/C(=O)O MB8 [0,2,0,0,0,0|1,0,0]=3 342 B6R0.3 N=C(/CO)\C(=O)O MH6 [0,2,0,0,0,0|1,0,0]=3 343 B6R0.3 N=C(/CO)\C(=O)O SRI [0,2,0,0,0,0|1,0,0]=3 344 B6R0.4 C(CC(=O)O)C=O SSN [0,2,0,0,0,0|1,0,0]=3 345 B6R0.4 CC(C)CCC=O MOP [0,2,0,0,0,0|1,0,1]=4 346 B6R0.4 CCCOC(=O)C 4PA [0,2,0,0,0,0|1,0,1]=4 347 B6R0.5 C(=O)OP(=O)(O)O XPO [0,2,0,0,0,0|2,0,0]=4 348 B6R0.5 C(C=O)P(=O)(O)O POA [0,2,0,0,0,0|2,0,0]=4 349 B6R0.5 CC(C)(C)OC=O TBF [0,2,0,0,0,0|1,0,1]=4 350 B6R0.5 C[N+](C)(C)CC=O BTL [0,2,0,0,0,0|2,0,0]=4 351 B6R0.7 C(=O)(O)P(=O)(O)O PPF [0,2,0,0,0,0|2,0,0]=4 352 B6R0.7 CC(C)(C(=O)O)Br B2P [0,2,0,0,0,0|1,0,1]=4 353 B6R0.7 CC(C)(C(=O)O)N AIB [0,2,0,0,0,0|1,0,1]=4 354 B6R0.7 CC(C)(C)C(=O)N TAY [0,2,0,0,0,0|1,0,1]=4 355 B6R0.7 CC(C)(C)C(=O)O PIV [0,2,0,0,0,0|1,0,1]=4 356 B6R1.2 C1CC(=O)NC1 BAQ [0,1,0,1,0,0|1,0,1]=4 357 B6R1.2 C1CC(=O)OC1 GBL [0,1,0,1,0,0|1,0,1]=4 358 B6R1.2 C1CCC(=O)C1 MFW [0,1,0,1,0,0|1,0,1]=4 359 B6R1.2 Cc1[nH]ccn1 2MZ [0,1,0,1,0,0|2,0,0]=4 360 B6R1.2 Cc1c[nH]cn1 4MZ [0,1,0,1,0,0|2,0,0]=4 361 B6R1.2 Cc1c[nH]nc1 4PZ [0,1,0,1,0,0|2,0,0]=4 362 B6R1.2 Cc1cc[nH]c1 5MP [0,1,0,1,0,0|2,0,0]=4