0 B4R0.1 B(CC)(O)O 3QD [0,0,0,0,0,0|2,0,0]=2 1 B4R0.1 C(=O)C(=O)O GLV [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 C(C(=O)N)F FTM [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C(C(=O)N)N GM1 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C(C(=O)O)Br BRM [0,0,0,0,0,0|2,0,1]=3 5 B4R0.1 C(C(=O)O)Br BXA [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 C(C(=O)O)Cl R3W [0,0,0,0,0,0|2,0,1]=3 7 B4R0.1 C(C(=O)O)F FAH [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 C(C(=O)O)I 04E [0,0,0,0,0,0|2,0,1]=3 9 B4R0.1 C(C(=O)O)N GLY [0,0,0,0,0,0|2,0,1]=3 10 B4R0.1 C(C(=O)O)N GLY_LFOH [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C(C(=O)O)O GOA [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 C(C(=O)O)S MCR [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 C(C(=O)S)N GL3 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 C=C(CO)Br BRP [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 C=CC(=O)O AKR [0,0,0,0,0,0|1,0,3]=4 19 B4R0.1 CC(=C)C=C 61G [0,0,0,0,0,0|1,0,3]=4 20 B4R0.1 CC(=C)CN IRS [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 CC(=O)C=O PVL [0,0,0,0,0,0|1,0,3]=4 22 B4R0.1 CC(=O)CCl ATO [0,0,0,0,0,0|1,0,2]=3 23 B4R0.1 CC(=O)CN GCM [0,0,0,0,0,0|1,0,2]=3 24 B4R0.1 CC(=O)CN GLM [0,0,0,0,0,0|1,0,2]=3 25 B4R0.1 CC(=O)CO 4Y8 [0,0,0,0,0,0|1,0,2]=3 26 B4R0.1 CC(=O)NC NML [0,0,0,0,0,0|1,0,2]=3 27 B4R0.1 CC(=O)NO HAE [0,0,0,0,0,0|2,0,2]=4 28 B4R0.1 CC(=O)OO F50 [0,0,0,0,0,0|2,0,2]=4 29 B4R0.1 CC(=O)O[Hg+] MAC [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 CC(C)C=O 5OZ [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 CC(C)CN IBN [0,0,0,0,0,0|2,0,0]=2 32 B4R0.1 CC=C(C)C 2MB [0,0,0,0,0,0|1,0,2]=3 33 B4R0.1 CCC(=O)N ROP [0,0,0,0,0,0|1,0,2]=3 34 B4R0.1 CCC(=O)O PPI [0,0,0,0,0,0|1,0,1]=2 35 B4R0.1 CC[C@H](C)O SBT [0,0,0,0,0,0|0,0,0]=0 36 B4R0.1 CC[N+](=O)[O-] NIE [0,0,0,0,0,0|2,0,1]=3 37 B4R0.1 CN(C)C=O DMF [0,0,0,0,0,0|3,0,1]=4 38 B4R0.1 CN(C)[Zn]O DOZ [0,0,0,0,0,0|4,0,0]=4 39 B4R0.1 CNC(=O)N NMU [0,0,0,0,0,0|2,0,2]=4 40 B4R0.1 CNC(=O)O RGI [0,0,0,0,0,0|2,0,1]=3 41 B4R0.1 COC(=O)O 000 [0,0,0,0,0,0|2,0,1]=3 42 B4R0.1 C[C@@H](C=O)N 5XU [0,0,0,0,0,0|2,0,1]=3 43 B4R0.1 C[C@@H](CBr)O EBH [0,0,0,0,0,0|1,0,0]=1 44 B4R0.1 C[C@@H](CCl)Cl CP2 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.1 C[C@@H](CO)N 2A1 [0,0,0,0,0,0|2,0,0]=2 46 B4R0.1 C[C@@H](CO)O PGO [0,0,0,0,0,0|1,0,0]=1 47 B4R0.1 C[C@@H](CO)O PGQ [0,0,0,0,0,0|1,0,0]=1 48 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [0,0,0,0,0,0|2,0,1]=3 49 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [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|1,0,0]=1 51 B4R0.1 C[C@H](CO)N 2A3 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.1 C[C@H](CO)O HP3 [0,0,0,0,0,0|1,0,0]=1 53 B4R0.1 C[C@H](CO)O PGR [0,0,0,0,0,0|1,0,0]=1 54 B4R0.1 C[C@H](C[NH3+])O FOP [0,0,0,0,0,0|1,0,0]=1 55 B4R0.1 N=C(\N)/NC MGX [0,0,0,0,0,0|3,0,1]=4 56 B4R0.1 O[Mo+4](=O)S[Cu+] CUN [0,0,0,0,0,0|4,0,0]=4 57 B4R0.1 O[Mo+6](=O)S[Cu+] CUM [0,0,0,0,0,0|4,0,0]=4 58 B3R0.1 C#CCN RRA [1,0,0,0,0,0|1,0,2]=4 59 B3R0.1 C(C=O)N GLZ [1,0,0,0,0,0|1,0,2]=4 60 B3R0.1 C(CBr)O BRJ [1,0,0,0,0,0|1,0,0]=2 61 B3R0.1 C(CCl)Cl DCE [1,0,0,0,0,0|2,0,0]=3 62 B3R0.1 C(CN)N EDN [1,0,0,0,0,0|2,0,0]=3 63 B3R0.1 C(CO)N ETA [1,0,0,0,0,0|1,0,0]=2 64 B3R0.1 C(CO)O EDO [1,0,0,0,0,0|1,0,0]=2 65 B3R0.1 C(CO)O EGL [1,0,0,0,0,0|1,0,0]=2 66 B3R0.1 C(CS)N DHL [1,0,0,0,0,0|1,1,0]=3 67 B3R0.1 C(CS)N SEA [1,0,0,0,0,0|1,1,0]=3 68 B3R0.1 C(CS)O BME [1,0,0,0,0,0|1,0,0]=2 69 B3R0.1 C(CS)O SEO [1,0,0,0,0,0|1,0,0]=2 70 B3R0.1 C(CS)S 6LN [1,0,0,0,0,0|1,1,0]=3 71 B3R0.1 C(N)[SH]=O OSM [1,0,0,0,0,0|2,0,1]=4 72 B3R0.1 C([C-]=O)[NH-] GLY_LL [1,0,0,0,0,0|1,0,2]=4 73 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [1,0,0,0,0,0|1,0,2]=4 74 B3R0.1 C=CCN AYE [1,0,0,0,0,0|1,0,2]=4 75 B3R0.1 C=CCO 5VQ [1,0,0,0,0,0|0,0,2]=3 76 B3R0.1 CCC#N CNV [1,0,0,0,0,0|1,0,1]=3 77 B3R0.1 CCC=O CBG [1,0,0,0,0,0|0,0,2]=3 78 B3R0.1 CCC=O PNL [1,0,0,0,0,0|0,0,2]=3 79 B3R0.1 CCCBr 3BR [1,0,0,0,0,0|1,0,0]=2 80 B3R0.1 CCCC BUT [1,0,0,0,0,0|0,0,0]=1 81 B3R0.1 CCCC NBU [1,0,0,0,0,0|0,0,0]=1 82 B3R0.1 CCCC SBU [1,0,0,0,0,0|0,0,0]=1 83 B3R0.1 CCCN 3CN [1,0,0,0,0,0|1,0,0]=2 84 B3R0.1 CCCO POL [1,0,0,0,0,0|0,0,0]=1 85 B3R0.1 CCCS XL3 [1,0,0,0,0,0|0,1,0]=2 86 B3R0.1 CCN=O NOE [1,0,0,0,0,0|1,0,1]=3 87 B3R0.1 CCNC ETN [1,0,0,0,0,0|1,0,0]=2 88 B3R0.1 CCOC 2ME [1,0,0,0,0,0|1,0,0]=2 89 B3R0.1 CC[N+]#C ENC [1,0,0,0,0,0|1,0,1]=3 90 B3R0.1 CNC=S MTF [1,0,0,0,0,0|1,1,1]=4 91 B3R0.1 C\C=C/N AKK [1,0,0,0,0,0|1,0,2]=4 92 B3R0.1 C\C=N\O AXO [1,0,0,0,0,0|1,0,1]=3 93 B3R0.1 N=C\CN AEM [1,0,0,0,0,0|2,0,1]=4 94 B3R0.1 O[Fe]O[Fe] OFO [1,0,0,0,0,0|3,0,0]=4 95 B3R0.2 B(O)(O)O BO3 [1,0,0,0,0,0|3,0,0]=4 96 B3R0.2 BN(C)C 7BZ [1,0,0,0,0,0|2,0,0]=3 97 B3R0.2 C(=O)(N)O OUT [1,0,0,0,0,0|2,0,1]=4 98 B3R0.2 C(=O)(O)[O-] BCT [1,0,0,0,0,0|2,0,1]=4 99 B3R0.2 C(Br)(Br)Br B4M [1,0,0,0,0,0|3,0,0]=4 100 B3R0.2 C(Br)(Br)Br MBR [1,0,0,0,0,0|3,0,0]=4 101 B3R0.2 C(Cl)(Cl)Cl MCH [1,0,0,0,0,0|3,0,0]=4 102 B3R0.2 C(F)(F)F CFT [1,0,0,0,0,0|3,0,0]=4 103 B3R0.2 CC(=C)C MEB [1,0,0,0,0,0|1,0,1]=3 104 B3R0.2 CC(=O)C ACN [1,0,0,0,0,0|0,0,2]=3 105 B3R0.2 CC(=O)N ACM [1,0,0,0,0,0|1,0,2]=4 106 B3R0.2 CC(=O)N CNM [1,0,0,0,0,0|1,0,2]=4 107 B3R0.2 CC(=O)O ACY [1,0,0,0,0,0|1,0,1]=3 108 B3R0.2 CC(=O)O CBM [1,0,0,0,0,0|1,0,1]=3 109 B3R0.2 CC(=O)O CM [1,0,0,0,0,0|1,0,1]=3 110 B3R0.2 CC(=O)[O-] ACT [1,0,0,0,0,0|1,0,2]=4 111 B3R0.2 CC(C)O IOH [1,0,0,0,0,0|0,0,0]=1 112 B3R0.2 CC(C)O IPA [1,0,0,0,0,0|0,0,0]=1 113 B3R0.2 CN(C)C KEN [1,0,0,0,0,0|2,0,0]=3 114 B3R0.2 CS(=O)C DMS [1,0,0,0,0,0|1,0,1]=3 115 B3R0.2 C[P@H](=O)O MPS [1,0,0,0,0,0|2,0,0]=3 116 B3R0.2 C[P@H](=O)O SOM [1,0,0,0,0,0|2,0,0]=3 117 B3R0.2 C[P@H](=O)[O-] VXA [1,0,0,0,0,0|2,0,1]=4 118 B3R0.2 C[Pb+](C)C PBM [1,0,0,0,0,0|2,0,0]=3 119 B3R0.2 OBr(=O)=O 202 [1,0,0,0,0,0|3,0,0]=4 120 B3R0.2 OP(=O)O PHS [1,0,0,0,0,0|3,0,0]=4 121 B3R0.2 O[As](O)O TAS [1,0,0,0,0,0|3,0,0]=4 122 B3R0.2 O[Mo+6](=O)O OMO [1,0,0,0,0,0|3,0,0]=4 123 B3R0.2 O[Mo](=O)=O MOM [1,0,0,0,0,0|3,0,0]=4 124 B3R0.2 O[SH](=O)O SFO [1,0,0,0,0,0|3,0,0]=4 125 B3R0.2 O[Sb](O)O SBO [1,0,0,0,0,0|3,0,0]=4 126 B3R0.2 O[Se](=O)[O-] BSY [1,0,0,0,0,0|3,0,0]=4 127 B3R0.2 O[Zn-](O)O ZH3 [1,0,0,0,0,0|3,0,0]=4 128 B5R0.1 C(C(=O)O)ON AOA [0,1,0,0,0,0|2,0,1]=4 129 B5R0.1 C(CN)C(=O)O BAL [0,1,0,0,0,0|1,0,1]=3 130 B5R0.1 C(CO)C(=O)O 3OH [0,1,0,0,0,0|1,0,1]=3 131 B5R0.1 C(CS)C(=O)O MPT [0,1,0,0,0,0|1,0,1]=3 132 B5R0.1 C(C[SeH])C(=O)O SLP [0,1,0,0,0,0|1,0,1]=3 133 B5R0.1 C=C(CCO)Br 3BB [0,1,0,0,0,0|1,0,2]=4 134 B5R0.1 CC(=O)CCO BUQ [0,1,0,0,0,0|0,0,2]=3 135 B5R0.1 CC(C)CCN LEN [0,1,0,0,0,0|1,0,0]=2 136 B5R0.1 CC(C)CCO IP3 [0,1,0,0,0,0|1,0,0]=2 137 B5R0.1 CC=CC(=O)O BEO [0,1,0,0,0,0|1,0,2]=4 138 B5R0.1 CCCC(=O)C PNH [0,1,0,0,0,0|0,0,2]=3 139 B5R0.1 CCCC(=O)N BMD [0,1,0,0,0,0|1,0,2]=4 140 B5R0.1 CCCC(=O)O BUA [0,1,0,0,0,0|1,0,1]=3 141 B5R0.1 CCC[N+](=O)[O-] N1P [0,1,0,0,0,0|2,0,1]=4 142 B5R0.1 CCOC(=O)C EEE [0,1,0,0,0,0|0,0,2]=3 143 B5R0.1 CCOC(=O)O 01F [0,1,0,0,0,0|1,0,1]=3 144 B5R0.1 CCO[P@H](=O)O ATJ [0,1,0,0,0,0|2,0,0]=3 145 B5R0.1 CCSC(=N)N ITU [0,1,0,0,0,0|2,0,1]=4 146 B5R0.1 CCSC(=N)N SEU [0,1,0,0,0,0|2,0,1]=4 147 B5R0.1 CNCC(=O)O MGY [0,1,0,0,0,0|1,0,1]=3 148 B5R0.1 CNCC(=O)O SAR [0,1,0,0,0,0|1,0,1]=3 149 B5R0.1 CSCC(=O)[O-] MTG [0,1,0,0,0,0|1,0,2]=4 150 B5R0.1 CSC[S@@](=O)C DSS [0,1,0,0,0,0|1,0,1]=3 151 B5R0.1 C[C@@H](CCO)O BU2 [0,1,0,0,0,0|0,0,0]=1 152 B5R0.1 C[C@H](CC=O)O 5KO [0,1,0,0,0,0|0,0,1]=2 153 B5R0.1 C[C@H](CCO)O BU4 [0,1,0,0,0,0|0,0,0]=1 154 B5R0.1 C[Se]CC(=O)[O-] MSF [0,1,0,0,0,0|1,0,2]=4 155 B5R0.1 C[Te]CC(=O)[O-] MTD [0,1,0,0,0,0|1,0,2]=4 156 B5R0.1 N=C(/N)\NCC EGD [0,1,0,0,0,0|2,0,1]=4 157 B5R0.1 N=C(\N)/[Se]CC ISU [0,1,0,0,0,0|2,0,1]=4 158 B5R0.3 C(C(=O)CCl)Cl CHM [0,1,0,0,0,0|1,0,2]=4 159 B5R0.3 C(C(=O)CO)O 2HA [0,1,0,0,0,0|1,0,2]=4 160 B5R0.3 C(C(C=O)O)O GXV [0,1,0,0,0,0|1,0,1]=3 161 B5R0.3 C(C(CCl)Cl)Cl 3KP [0,1,0,0,0,0|2,0,0]=3 162 B5R0.3 C(C(CO)N)O SEL [0,1,0,0,0,0|2,0,0]=3 163 B5R0.3 C(C(CO)O)O CRY [0,1,0,0,0,0|1,0,0]=2 164 B5R0.3 C(C(CO)O)O GOL [0,1,0,0,0,0|1,0,0]=2 165 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,1,0,0,0,0|2,0,0]=3 166 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [0,1,0,0,0,0|2,0,1]=4 167 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [0,1,0,0,0,0|2,0,1]=4 168 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [0,1,0,0,0,0|2,0,1]=4 169 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [0,1,0,0,0,0|2,0,1]=4 170 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [0,1,0,0,0,0|2,0,1]=4 172 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [0,1,0,0,0,0|2,0,1]=4 173 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [0,1,0,0,0,0|2,0,1]=4 174 B5R0.3 C([C@H](C=O)O)O 3GR [0,1,0,0,0,0|1,0,1]=3 175 B5R0.3 C([C@H](CS)O)O SGM [0,1,0,0,0,0|1,0,0]=2 176 B5R0.3 CCC(CC)N D0M [0,1,0,0,0,0|1,0,0]=2 177 B5R0.3 CC[C@H](C)CN DCI [0,1,0,0,0,0|1,0,0]=2 178 B5R0.3 CC[C@H](C)CN MBA [0,1,0,0,0,0|1,0,0]=2 179 B5R0.3 CNC(=O)NC MMU [0,1,0,0,0,0|1,0,2]=4 180 B5R0.3 COC(=O)CN MEU [0,1,0,0,0,0|1,0,2]=4 181 B5R0.4 C(C(F)(F)F)O ETF [0,1,0,0,0,0|3,0,0]=4 182 B5R0.4 C(N)P(=O)(O)O PGL [0,1,0,0,0,0|3,0,0]=4 183 B5R0.4 CC(C)(C#N)O CNH [0,1,0,0,0,0|1,0,1]=3 184 B5R0.4 CC(C)(C)C#N TAN [0,1,0,0,0,0|2,0,1]=4 185 B5R0.4 CC(C)(C)CN NPT [0,1,0,0,0,0|2,0,0]=3 186 B5R0.4 CC(C)(C)[N+]#[C-] TB0 [0,1,0,0,0,0|2,0,1]=4 187 B5R0.4 CC(C)(CN)N 4G6 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.4 CCS(=O)(=O)O ESA [0,1,0,0,0,0|2,0,0]=3 189 B5R0.4 CC[Si](C)(C)C CEQ [0,1,0,0,0,0|1,1,0]=3 190 B5R0.4 COP(=O)(O)O KOP [0,1,0,0,0,0|3,0,0]=4 191 B5R0.4 CSS(=O)(=O)C Z22 [0,1,0,0,0,0|2,0,1]=4 192 B5R0.5 B([C@H](C)N)(O)O B2A [0,1,0,0,0,0|2,0,0]=3 193 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [0,1,0,0,0,0|2,0,1]=4 194 B5R0.5 CC(=O)C(=O)O PYR [0,1,0,0,0,0|1,0,2]=4 195 B5R0.5 CC(=O)N(C)C 5Y9 [0,1,0,0,0,0|1,0,2]=4 196 B5R0.5 CC(C)C(=O)N IBO [0,1,0,0,0,0|1,0,2]=4 197 B5R0.5 CC(C)C(=O)O ALQ [0,1,0,0,0,0|1,0,1]=3 198 B5R0.5 CC(C)C(=O)O ISB [0,1,0,0,0,0|1,0,1]=3 199 B5R0.5 CC(C)[C@@H](C)N CDE [0,1,0,0,0,0|1,0,0]=2 200 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,1,0,0,0,0|2,0,1]=4 201 B5R0.5 C[C@@H](C(=O)C)N ALM [0,1,0,0,0,0|0,0,2]=3 202 B5R0.5 C[C@@H](C(=O)C)O HBS [0,1,0,0,0,0|0,0,1]=2 203 B5R0.5 C[C@@H](C(=O)N)N 66N [0,1,0,0,0,0|1,0,2]=4 204 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,1,0,0,0,0|1,0,1]=3 205 B5R0.5 C[C@@H](C(=O)O)N ALA [0,1,0,0,0,0|1,0,1]=3 206 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,1,0,0,0,0|1,0,1]=3 207 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,1,0,0,0,0|1,0,1]=3 208 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,1,0,0,0,0|1,0,1]=3 209 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,1,0,0,0,0|1,0,2]=4 210 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,1,0,0,0,0|1,0,2]=4 211 B5R0.5 C[C@@H](C(=S)O)N ALT [0,1,0,0,0,0|1,0,1]=3 212 B5R0.5 C[C@@H](C(O)O)N ALV [0,1,0,0,0,0|1,0,0]=2 213 B5R0.5 C[C@@H]([C@H](C)O)O BUD [0,1,0,0,0,0|0,0,0]=1 214 B5R0.5 C[C@H](C(=O)C)O HBR [0,1,0,0,0,0|0,0,1]=2 215 B5R0.5 C[C@H](C(=O)O)F 4LT [0,1,0,0,0,0|1,0,1]=3 216 B5R0.5 C[C@H](C(=O)O)N DAL [0,1,0,0,0,0|1,0,1]=3 217 B5R0.5 C[C@H](C(=O)O)O DLA [0,1,0,0,0,0|1,0,1]=3 218 B5R0.5 C[C@H](C(=O)O)O LAC [0,1,0,0,0,0|1,0,1]=3 219 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [0,1,0,0,0,0|0,0,0]=1 220 B5R0.5 C[C@H]([C@H](C)O)O BU9 [0,1,0,0,0,0|0,0,0]=1 221 B5R0.5 [C@H](C(=O)O)(N)O HGY [0,1,0,0,0,0|2,0,1]=4 222 B5R1.3 C1CC1CO 09V [0,0,0,1,0,0|2,0,0]=3 223 B2R0.1 C(#N)O 0NM [2,0,0,0,0,0|1,0,1]=4 224 B2R0.1 C(=O)O CBX [2,0,0,0,0,0|1,0,1]=4 225 B2R0.1 C(=O)O FMT [2,0,0,0,0,0|1,0,1]=4 226 B2R0.1 C(Br)Br 2BM [2,0,0,0,0,0|2,0,0]=4 227 B2R0.1 CC#N CCN [2,0,0,0,0,0|1,0,1]=4 228 B2R0.1 CC=O ACE [2,0,0,0,0,0|0,0,2]=4 229 B2R0.1 CC=O ACU [2,0,0,0,0,0|0,0,2]=4 230 B2R0.1 CC=O MCB [2,0,0,0,0,0|0,0,2]=4 231 B2R0.1 CCBr BBX [2,0,0,0,0,0|1,0,0]=3 232 B2R0.1 CCC TME [2,0,0,0,0,0|0,0,0]=2 233 B2R0.1 CCCl MCE [2,0,0,0,0,0|1,0,0]=3 234 B2R0.1 CCI ETI [2,0,0,0,0,0|1,0,0]=3 235 B2R0.1 CCN NEH [2,0,0,0,0,0|1,0,0]=3 236 B2R0.1 CCO EOH [2,0,0,0,0,0|0,0,0]=2 237 B2R0.1 CCO EOX [2,0,0,0,0,0|0,0,0]=2 238 B2R0.1 CCO OHE [2,0,0,0,0,0|0,0,0]=2 239 B2R0.1 CCS SCC [2,0,0,0,0,0|0,1,0]=3 240 B2R0.1 CCS XL1 [2,0,0,0,0,0|0,1,0]=3 241 B2R0.1 CC[Hg+] EMC [2,0,0,0,0,0|1,0,0]=3 242 B2R0.1 CC[O] OXA [2,0,0,0,0,0|0,0,1]=3 243 B2R0.1 CN=N HDN [2,0,0,0,0,0|2,0,0]=4 244 B2R0.1 CN=O NSM [2,0,0,0,0,0|1,0,1]=4 245 B2R0.1 CNC DMN [2,0,0,0,0,0|1,0,0]=3 246 B2R0.1 COC 2F2 [2,0,0,0,0,0|1,0,0]=3 247 B2R0.1 CSC MSM [2,0,0,0,0,0|1,0,0]=3 248 B2R0.1 C[N+]#[C-] MNC [2,0,0,0,0,0|1,0,1]=4 249 B2R0.1 N=C/C E1H [2,0,0,0,0,0|1,0,1]=4 250 B4R0.2 C(CCl)CCl 0CL [1,1,0,0,0,0|1,0,0]=3 251 B4R0.2 C(CN)CBr 4LJ [1,1,0,0,0,0|1,0,0]=3 252 B4R0.2 C(CN)CN 13D [1,1,0,0,0,0|1,0,0]=3 253 B4R0.2 C(CN)CO 0D8 [1,1,0,0,0,0|0,0,0]=2 254 B4R0.2 C(CO)CCl 3CL [1,1,0,0,0,0|0,0,0]=2 255 B4R0.2 C(CO)CO HPG [1,1,0,0,0,0|0,0,0]=2 256 B4R0.2 C(CO)CO PDO [1,1,0,0,0,0|0,0,0]=2 257 B4R0.2 C(CS)C=O MPR [1,1,0,0,0,0|0,0,2]=4 258 B4R0.2 C(CS)CS PDT [1,1,0,0,0,0|0,1,0]=3 259 B4R0.2 C(O)OCO 21H [1,1,0,0,0,0|1,0,0]=3 260 B4R0.2 CC/C=N\O PXO [1,1,0,0,0,0|0,0,1]=3 261 B4R0.2 CCCCBr BBU [1,1,0,0,0,0|0,0,0]=2 262 B4R0.2 CCCCC LNK [1,1,0,0,0,0|0,0,0]=2 263 B4R0.2 CCCCN LYT [1,1,0,0,0,0|0,0,0]=2 264 B4R0.2 CCCCO 1BO [1,1,0,0,0,0|0,0,0]=2 265 B4R0.2 CCC[N+]#[C-] NPN [1,1,0,0,0,0|0,0,1]=3 266 B4R0.2 CCOC=O ETO [1,1,0,0,0,0|0,0,2]=4 267 B4R0.2 CCOCC ETZ [1,1,0,0,0,0|0,0,0]=2 268 B4R0.2 CCOC[O-] EOM [1,1,0,0,0,0|0,0,1]=3 269 B4R0.2 COCCO MXE [1,1,0,0,0,0|0,0,0]=2 270 B4R0.2 COCC[O-] MOE [1,1,0,0,0,0|0,0,1]=3 271 B4R0.3 CC(C)(C)N NTB [1,1,0,0,0,0|1,0,0]=3 272 B4R0.3 CC(C)(C)O TBU [1,1,0,0,0,0|0,0,0]=2 273 B4R0.3 CP(=O)(O)O GB [1,1,0,0,0,0|2,0,0]=4 274 B4R0.3 CP(=O)(O)O PPM [1,1,0,0,0,0|2,0,0]=4 275 B4R0.3 CS(=O)(=O)O 03S [1,1,0,0,0,0|2,0,0]=4 276 B4R0.3 C[As](=O)(C)O CAD [1,1,0,0,0,0|1,0,0]=3 277 B4R0.3 C[As](=O)(C)[O-] CAC [1,1,0,0,0,0|1,0,1]=4 278 B4R0.3 C[N+](C)(C)C TMA [1,1,0,0,0,0|2,0,0]=4 279 B4R0.3 C[N+](C)(C)[O-] TMO [1,1,0,0,0,0|1,0,1]=4 280 B4R0.3 C[P@](=O)(N)O PNO [1,1,0,0,0,0|2,0,0]=4 281 B4R0.3 C[Pb](C)(C)Br ZN9 [1,1,0,0,0,0|2,0,0]=4 282 B4R0.3 C[Sn](C)(Br)Br ZN5 [1,1,0,0,0,0|2,0,0]=4 283 B4R0.3 C[Sn](C)(C)Cl ZN8 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,2,0,0,0,0|0,0,0]=2 285 B6R0.1 C([C@H](CSO)O)O SGL [0,2,0,0,0,0|1,0,0]=3 286 B6R0.1 CCC(=O)OCC CA1 [0,2,0,0,0,0|0,0,2]=4 287 B6R0.1 CCC[C@@H](CO)O 1SP [0,2,0,0,0,0|0,0,0]=2 288 B6R0.1 CCNC(=O)OC MEC [0,2,0,0,0,0|0,0,2]=4 289 B6R0.1 CCOC(=O)CN GEE [0,2,0,0,0,0|0,0,2]=4 290 B6R0.1 CCOC(=O)NC EMB [0,2,0,0,0,0|0,0,2]=4 291 B6R0.1 CCS[C@H](C)SC 0AJ [0,2,0,0,0,0|0,1,0]=3 292 B6R0.1 C\C(=C\CO)\CO 6OM [0,2,0,0,0,0|0,0,2]=4 293 B6R0.2 CC(=O)CC(=O)C P2D [0,2,0,0,0,0|0,0,2]=4 294 B6R0.2 CC(=O)CC(=O)O AAE [0,2,0,0,0,0|1,0,1]=4 295 B6R0.2 CC(=O)CC(=O)O LIN [0,2,0,0,0,0|1,0,1]=4 296 B6R0.2 CC(C)CC(=O)O IVA [0,2,0,0,0,0|1,0,1]=4 297 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,2,0,0,0,0|1,0,0]=3 298 B6R0.2 CN(C)CC(=O)O DMG [0,2,0,0,0,0|1,0,1]=4 299 B6R0.2 CS(C)CC(=O)O 313 [0,2,0,0,0,0|1,0,1]=4 300 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,2,0,0,0,0|1,0,1]=4 301 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,2,0,0,0,0|0,0,1]=3 302 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,2,0,0,0,0|0,0,1]=3 303 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [0,2,0,0,0,0|1,0,1]=4 304 B6R0.3 C([C@@H](C(=O)O)N)N DPP [0,2,0,0,0,0|1,0,1]=4 305 B6R0.3 C([C@@H](C(=O)O)N)O SEG [0,2,0,0,0,0|1,0,1]=4 306 B6R0.3 C([C@@H](C(=O)O)N)O SER [0,2,0,0,0,0|1,0,1]=4 307 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [0,2,0,0,0,0|1,0,1]=4 308 B6R0.3 C([C@@H](C(=O)O)N)S BTC [0,2,0,0,0,0|1,0,1]=4 309 B6R0.3 C([C@@H](C(=O)O)N)S CYS [0,2,0,0,0,0|1,0,1]=4 310 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [0,2,0,0,0,0|1,0,1]=4 311 B6R0.3 C([C@@H](C(=O)O)N)S FCY [0,2,0,0,0,0|1,0,1]=4 312 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [0,2,0,0,0,0|1,0,1]=4 313 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [0,2,0,0,0,0|1,0,1]=4 314 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [0,2,0,0,0,0|1,0,1]=4 315 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [0,2,0,0,0,0|1,0,1]=4 316 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [0,2,0,0,0,0|1,0,1]=4 317 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [0,2,0,0,0,0|1,0,1]=4 318 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [0,2,0,0,0,0|1,0,1]=4 319 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [0,2,0,0,0,0|1,0,1]=4 320 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [0,2,0,0,0,0|1,0,1]=4 321 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [0,2,0,0,0,0|1,0,1]=4 322 B6R0.3 C([C@H](C(=O)O)N)N 2RA [0,2,0,0,0,0|1,0,1]=4 323 B6R0.3 C([C@H](C(=O)O)N)O DSN [0,2,0,0,0,0|1,0,1]=4 324 B6R0.3 C([C@H](C(=O)O)N)S DCY [0,2,0,0,0,0|1,0,1]=4 325 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [0,2,0,0,0,0|1,0,1]=4 326 B6R0.3 C([C@H](C(=O)O)O)O DGY [0,2,0,0,0,0|1,0,1]=4 327 B6R0.3 C([C@H](C(O)O)O)O 03W [0,2,0,0,0,0|1,0,0]=3 328 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,2,0,0,0,0|0,0,1]=3 329 B6R0.3 CC(C)[C@@H](CO)N VOL [0,2,0,0,0,0|1,0,0]=3 330 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,2,0,0,0,0|1,0,1]=4 331 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,2,0,0,0,0|1,0,1]=4 332 B6R0.3 CCC(=O)C(=O)O 2KT [0,2,0,0,0,0|1,0,1]=4 333 B6R0.3 CCC(C(=O)O)N AA3 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,2,0,0,0,0|1,0,0]=3 335 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,2,0,0,0,0|1,0,0]=3 336 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,2,0,0,0,0|1,0,0]=3 337 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,2,0,0,0,0|1,0,0]=3 338 B6R0.3 CC[C@H](C(=O)O)N DBB [0,2,0,0,0,0|1,0,0]=3 339 B6R0.3 CC[C@H](C)C(=O)O SMB [0,2,0,0,0,0|0,0,0]=2 340 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,2,0,0,0,0|0,0,1]=3 341 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,2,0,0,0,0|1,0,1]=4 342 B6R0.3 C[C@@H](C(=O)NC)N 0NC [0,2,0,0,0,0|0,0,2]=4 343 B6R0.3 C[C@@H](C(=O)NO)N HMA [0,2,0,0,0,0|1,0,1]=4 344 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,2,0,0,0,0|1,0,0]=3 345 B6R0.3 C[C@@H](C(=O)OC)N MA [0,2,0,0,0,0|0,0,2]=4 346 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,2,0,0,0,0|1,0,0]=3 347 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,2,0,0,0,0|1,0,1]=4 348 B6R0.3 C[C@H](C(=O)O)NC 33X [0,2,0,0,0,0|1,0,0]=3 349 B6R0.3 C[C@H](CO)C(=O)O HIU [0,2,0,0,0,0|1,0,0]=3 350 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,2,0,0,0,0|1,0,0]=3 351 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,2,0,0,0,0|0,0,0]=2 352 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,2,0,0,0,0|0,0,0]=2 353 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,2,0,0,0,0|0,0,1]=3 354 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [0,2,0,0,0,0|0,0,2]=4 355 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,2,0,0,0,0|0,0,1]=3 356 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [0,2,0,0,0,0|0,0,2]=4 357 B6R0.3 C\C=C(\C)/C(=O)O MB8 [0,2,0,0,0,0|0,0,2]=4 358 B6R0.4 B(CCCC)(O)O BUB [0,2,0,0,0,0|2,0,0]=4 359 B6R0.4 C#CCCC(=O)O 54L [0,2,0,0,0,0|1,0,1]=4 360 B6R0.4 C(CC(=O)O)C=O SSN [0,2,0,0,0,0|1,0,1]=4 361 B6R0.4 C(CC(=O)O)CBr 0A5 [0,2,0,0,0,0|1,0,1]=4 362 B6R0.4 C(CC(=O)O)CN ABU [0,2,0,0,0,0|1,0,1]=4 363 B6R0.4 C(CSS)C(=O)O 3SS [0,2,0,0,0,0|1,0,1]=4 364 B6R0.4 CC(C)CCC=O MOP [0,2,0,0,0,0|1,0,0]=3 365 B6R0.4 CCCCC(=O)O LEA [0,2,0,0,0,0|1,0,1]=4 366 B6R0.4 CCCCC(=O)O PEI [0,2,0,0,0,0|1,0,1]=4 367 B6R0.4 CCCOC(=O)C 4PA [0,2,0,0,0,0|0,0,2]=4 368 B6R0.4 CCNCC(=O)O 2JC [0,2,0,0,0,0|1,0,1]=4 369 B6R0.4 CN(C)CCCN DIB [0,2,0,0,0,0|2,0,0]=4 370 B6R0.5 C(CP(=O)(O)O)N P7I [0,2,0,0,0,0|2,0,0]=4 371 B6R0.5 C(CP(=O)(O)O)O 2HE [0,2,0,0,0,0|2,0,0]=4 372 B6R0.5 C(CS(=O)(=O)O)N TAU [0,2,0,0,0,0|2,0,0]=4 373 B6R0.5 C(CS(=O)(=O)O)S COM [0,2,0,0,0,0|2,0,0]=4 374 B6R0.5 CC(C)(C)CCN 2G3 [0,2,0,0,0,0|1,0,0]=3 375 B6R0.5 CC(C)(C)CCO 33D [0,2,0,0,0,0|1,0,0]=3 376 B6R0.5 CCNP(=O)(O)O TCX [0,2,0,0,0,0|2,0,0]=4 377 B6R0.5 CCOP(=O)(O)O EFS [0,2,0,0,0,0|2,0,0]=4 378 B6R0.5 CCO[P@](=O)(C)O VX [0,2,0,0,0,0|1,0,0]=3 379 B6R0.5 C[As](C)(C)CCO 1Y8 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.5 C[N+](C)(C)CCO CHT [0,2,0,0,0,0|2,0,0]=4 381 B6R0.5 C[N+](C)(C)CCS ETM [0,2,0,0,0,0|2,0,0]=4 382 B6R0.8 CC[Pb](CC)(Br)Br ZN7 [0,2,0,0,0,0|2,0,0]=4 383 B6R0.8 CC[Sn](CC)(Cl)Cl ZN6 [0,2,0,0,0,0|2,0,0]=4 384 B6R0.8 COP(=S)(O)OC DZZ [0,2,0,0,0,0|2,0,0]=4 385 B6R0.9 CCP(CC)CC 3EP [0,2,0,0,0,0|2,0,0]=4 386 B6R0.9 CC[NH+](CC)CC TEA [0,2,0,0,0,0|2,0,0]=4 387 B6R0.7 CC(C)(C(=O)O)Br B2P [0,2,0,0,0,0|1,0,1]=4 388 B6R0.7 CC(C)(C(=O)O)N AIB [0,2,0,0,0,0|1,0,1]=4 389 B6R0.7 CC(C)(C)C(=O)O PIV [0,2,0,0,0,0|1,0,1]=4 390 B6R0.7 C[C@@H]([C@@](N)(O)[O-])O PY0 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.7 C[C@H](C(C)(C)C)N 00D [0,2,0,0,0,0|1,0,0]=3 392 B6R0.7 C[C@H](N)P(=O)(O)O GG7 [0,2,0,0,0,0|2,0,0]=4 393 B6R1.2 B1(OCCO1)O SBE [0,1,0,1,0,0|2,0,0]=4 394 B6R1.2 C1CC(=O)NC1 BAQ [0,1,0,1,0,0|0,0,2]=4 395 B6R1.2 C1CC(=O)OC1 GBL [0,1,0,1,0,0|0,0,2]=4 396 B6R1.2 C1CCC(=O)C1 MFW [0,1,0,1,0,0|0,0,2]=4 397 B6R1.2 C1CCC(C1)N 1CB [0,1,0,1,0,0|1,0,0]=3 398 B6R1.2 C1CCC(C1)O YEG [0,1,0,1,0,0|0,0,0]=2 399 B6R1.2 C1CNC[C@@H]1N 04S [0,1,0,1,0,0|1,0,0]=3 400 B6R1.2 C1CNC[C@H]1O 6SP [0,1,0,1,0,0|0,0,0]=2 401 B6R1.3 COCC1CC1 09U [0,1,0,1,0,0|1,0,0]=3