0 B4R0.2 C(C=O)C=O MDD [0,0,0,0,0,0|1,0,1]=2 1 B4R0.2 C(CCl)CCl 0CL [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C(CN)CBr 4LJ [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C(CN)CN 13D [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 C(CN)CO 0D8 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.2 C(CO)CCl 3CL [0,0,0,0,0,0|1,0,2]=3 6 B4R0.2 C(CO)CO HPG [0,0,0,0,0,0|1,0,2]=3 7 B4R0.2 C(CO)CO PDO [0,0,0,0,0,0|1,0,2]=3 8 B4R0.2 C(CS)C=O MPR [0,0,0,0,0,0|1,0,0]=1 9 B4R0.2 C(CS)CS PDT [0,0,0,0,0,0|1,1,1]=3 10 B4R0.2 C(O)OCO 21H [0,0,0,0,0,0|2,0,2]=4 11 B4R0.2 C/C=C/C=O CRD [0,0,0,0,0,0|0,0,2]=2 12 B4R0.2 CC/C=N\O PXO [0,0,0,0,0,0|1,0,2]=3 13 B4R0.2 CCCCBr BBU [0,0,0,0,0,0|1,0,1]=2 14 B4R0.2 CCCCC LNK [0,0,0,0,0,0|1,0,1]=2 15 B4R0.2 CCCCN LYT [0,0,0,0,0,0|1,0,1]=2 16 B4R0.2 CCCCO 1BO [0,0,0,0,0,0|0,0,2]=2 17 B4R0.2 CCC[N+]#[C-] NPN [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 CCOC=O ETO [0,0,0,0,0,0|1,0,0]=1 19 B4R0.2 CCOCC ETZ [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 CCOC[O-] EOM [0,0,0,0,0,0|1,0,2]=3 21 B4R0.2 COCCO MXE [0,0,0,0,0,0|1,0,2]=3 22 B4R0.2 COCC[O-] MOE [0,0,0,0,0,0|1,0,2]=3 23 B3R0.1 C#CCN RRA [1,0,0,0,0,0|1,0,2]=4 24 B3R0.1 C(=C/Br)/Br CB0 [1,0,0,0,0,0|2,0,1]=4 25 B3R0.1 C(=CS)N TEE [1,0,0,0,0,0|1,1,1]=4 26 B3R0.1 C(=O)C=O GXT [1,0,0,0,0,0|1,0,1]=3 27 B3R0.1 C(C=O)N GLZ [1,0,0,0,0,0|1,0,0]=2 28 B3R0.1 C(CBr)O BRJ [1,0,0,0,0,0|1,0,1]=3 29 B3R0.1 C(CCl)Cl DCE [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 C(CN)N EDN [1,0,0,0,0,0|2,0,0]=3 31 B3R0.1 C(CO)N ETA [1,0,0,0,0,0|1,0,1]=3 32 B3R0.1 C(CO)O EDO [1,0,0,0,0,0|1,0,1]=3 33 B3R0.1 C(CO)O EGL [1,0,0,0,0,0|1,0,1]=3 34 B3R0.1 C(CS)N DHL [1,0,0,0,0,0|1,1,0]=3 35 B3R0.1 C(CS)N SEA [1,0,0,0,0,0|1,1,0]=3 36 B3R0.1 C(CS)O BME [1,0,0,0,0,0|1,0,1]=3 37 B3R0.1 C(CS)O SEO [1,0,0,0,0,0|1,0,1]=3 38 B3R0.1 C(CS)S 6LN [1,0,0,0,0,0|1,1,0]=3 39 B3R0.1 C(N)[SH]=O OSM [1,0,0,0,0,0|2,0,0]=3 40 B3R0.1 C([C-]=O)[NH-] GLY_LL [1,0,0,0,0,0|1,0,1]=3 41 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [1,0,0,0,0,0|1,0,1]=3 42 B3R0.1 C=CC#N 6AC [1,0,0,0,0,0|1,0,2]=4 43 B3R0.1 C=CCN AYE [1,0,0,0,0,0|1,0,1]=3 44 B3R0.1 C=CCO 5VQ [1,0,0,0,0,0|1,0,1]=3 45 B3R0.1 CCC#N CNV [1,0,0,0,0,0|1,0,1]=3 46 B3R0.1 CCC=O CBG [1,0,0,0,0,0|0,0,0]=1 47 B3R0.1 CCC=O PNL [1,0,0,0,0,0|0,0,0]=1 48 B3R0.1 CCCBr 3BR [1,0,0,0,0,0|1,0,0]=2 49 B3R0.1 CCCC BUT [1,0,0,0,0,0|0,0,1]=2 50 B3R0.1 CCCC NBU [1,0,0,0,0,0|0,0,1]=2 51 B3R0.1 CCCC SBU [1,0,0,0,0,0|0,0,1]=2 52 B3R0.1 CCCN 3CN [1,0,0,0,0,0|1,0,0]=2 53 B3R0.1 CCCO POL [1,0,0,0,0,0|0,0,1]=2 54 B3R0.1 CCCS XL3 [1,0,0,0,0,0|0,1,0]=2 55 B3R0.1 CCN=O NOE [1,0,0,0,0,0|1,0,0]=2 56 B3R0.1 CCNC ETN [1,0,0,0,0,0|1,0,1]=3 57 B3R0.1 CCOC 2ME [1,0,0,0,0,0|1,0,1]=3 58 B3R0.1 CC[N+]#C ENC [1,0,0,0,0,0|1,0,1]=3 59 B3R0.1 CNC=S MTF [1,0,0,0,0,0|1,1,0]=3 60 B3R0.1 C\C=C/N AKK [1,0,0,0,0,0|1,0,1]=3 61 B3R0.1 C\C=N\O AXO [1,0,0,0,0,0|1,0,2]=4 62 B3R0.1 N=C\CN AEM [1,0,0,0,0,0|2,0,0]=3 63 B5R0.1 C(C(=O)O)ON AOA [0,1,0,0,0,0|2,0,0]=3 64 B5R0.1 C(CN)C(=O)O BAL [0,1,0,0,0,0|1,0,0]=2 65 B5R0.1 C(CO)C(=O)O 3OH [0,1,0,0,0,0|1,0,0]=2 66 B5R0.1 C(CS)C(=O)O MPT [0,1,0,0,0,0|1,0,0]=2 67 B5R0.1 C(C[SeH])C(=O)O SLP [0,1,0,0,0,0|1,0,0]=2 68 B5R0.1 C=C(CCO)Br 3BB [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 CC(=O)CCO BUQ [0,1,0,0,0,0|1,0,0]=2 70 B5R0.1 CC(C)CCN LEN [0,1,0,0,0,0|1,0,1]=3 71 B5R0.1 CC(C)CCO IP3 [0,1,0,0,0,0|0,0,2]=3 72 B5R0.1 CC=CC(=O)O BEO [0,1,0,0,0,0|0,0,2]=3 73 B5R0.1 CCCC(=O)C PNH [0,1,0,0,0,0|0,0,0]=1 74 B5R0.1 CCCC(=O)N BMD [0,1,0,0,0,0|0,0,0]=1 75 B5R0.1 CCCC(=O)O BUA [0,1,0,0,0,0|0,0,0]=1 76 B5R0.1 CCC[N+](=O)[O-] N1P [0,1,0,0,0,0|1,0,0]=2 77 B5R0.1 CCOC(=O)C EEE [0,1,0,0,0,0|1,0,0]=2 78 B5R0.1 CCOC(=O)O 01F [0,1,0,0,0,0|1,0,0]=2 79 B5R0.1 CCO[P@H](=O)O ATJ [0,1,0,0,0,0|2,0,0]=3 80 B5R0.1 CCSC(=N)N ITU [0,1,0,0,0,0|2,0,0]=3 81 B5R0.1 CCSC(=N)N SEU [0,1,0,0,0,0|2,0,0]=3 82 B5R0.1 CNCC(=O)O MGY [0,1,0,0,0,0|1,0,0]=2 83 B5R0.1 CNCC(=O)O SAR [0,1,0,0,0,0|1,0,0]=2 84 B5R0.1 CSCC(=O)[O-] MTG [0,1,0,0,0,0|1,0,0]=2 85 B5R0.1 CSC[S@@](=O)C DSS [0,1,0,0,0,0|2,0,0]=3 86 B5R0.1 C[C@@H](CCO)O BU2 [0,1,0,0,0,0|0,0,2]=3 87 B5R0.1 C[C@H](CC=O)O 5KO [0,1,0,0,0,0|0,0,0]=1 88 B5R0.1 C[C@H](CCO)O BU4 [0,1,0,0,0,0|0,0,2]=3 89 B5R0.1 C[Se]CC(=O)[O-] MSF [0,1,0,0,0,0|1,0,0]=2 90 B5R0.1 C[Te]CC(=O)[O-] MTD [0,1,0,0,0,0|1,0,0]=2 91 B5R0.1 N=C(/N)\NCC EGD [0,1,0,0,0,0|2,0,0]=3 92 B5R0.1 N=C(\N)/[Se]CC ISU [0,1,0,0,0,0|2,0,0]=3 93 B5R0.2 C(=CC=O)C=O 2FU [0,1,0,0,0,0|0,0,3]=4 94 B5R0.2 C(CCN)CN PUT [0,1,0,0,0,0|1,0,1]=3 95 B5R0.2 C(CCO)CO BU1 [0,1,0,0,0,0|0,0,2]=3 96 B5R0.2 C(CCO)C[NH3+] 4HA [0,1,0,0,0,0|0,0,2]=3 97 B5R0.2 C(CCl)NC=O CEC [0,1,0,0,0,0|1,0,0]=2 98 B5R0.2 C(CN)CON XAP [0,1,0,0,0,0|2,0,0]=3 99 B5R0.2 C(CO)N=[N+]=[N-] AE9 [0,1,0,0,0,0|3,0,0]=4 100 B5R0.2 C=CCNC=S 9AI [0,1,0,0,0,0|0,1,2]=4 101 B5R0.2 CCC/C=N\O BXO [0,1,0,0,0,0|0,0,1]=2 102 B5R0.2 CCCCC=O PTL [0,1,0,0,0,0|0,0,0]=1 103 B5R0.2 CCCCCBr 5BR [0,1,0,0,0,0|1,0,1]=3 104 B5R0.2 CCCCCC HEX [0,1,0,0,0,0|1,0,1]=3 105 B5R0.2 CCCCCCl 7CL [0,1,0,0,0,0|1,0,1]=3 106 B5R0.2 CCCCCN AML [0,1,0,0,0,0|1,0,1]=3 107 B5R0.2 CCCCCO PE9 [0,1,0,0,0,0|0,0,2]=3 108 B5R0.2 CCCC[N+]#[C-] NBN [0,1,0,0,0,0|1,0,1]=3 109 B5R0.2 CCOCCO ETX [0,1,0,0,0,0|0,0,2]=3 110 B5R0.2 CNCCCN N3D [0,1,0,0,0,0|1,0,1]=3 111 B5R0.2 COCCOC DXE [0,1,0,0,0,0|2,0,0]=3 112 B5R0.3 C(C(C=O)O)O GXV [0,1,0,0,0,0|1,0,0]=2 113 B5R0.3 C(C(CCl)Cl)Cl 3KP [0,1,0,0,0,0|2,0,1]=4 114 B5R0.3 C(C(CO)N)O SEL [0,1,0,0,0,0|1,0,2]=4 115 B5R0.3 C(C(CO)O)O CRY [0,1,0,0,0,0|1,0,2]=4 116 B5R0.3 C(C(CO)O)O GOL [0,1,0,0,0,0|1,0,2]=4 117 B5R0.3 C([C@@H](CCl)Cl)O D2P [0,1,0,0,0,0|1,0,2]=4 118 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [0,1,0,0,0,0|1,0,1]=3 119 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [0,1,0,0,0,0|1,0,1]=3 120 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [0,1,0,0,0,0|1,0,1]=3 121 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [0,1,0,0,0,0|1,0,1]=3 122 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [0,1,0,0,0,0|1,0,1]=3 123 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [0,1,0,0,0,0|1,0,1]=3 125 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [0,1,0,0,0,0|1,0,1]=3 126 B5R0.3 C([C@H](C=O)O)O 3GR [0,1,0,0,0,0|1,0,0]=2 127 B5R0.3 C([C@H](CS)O)O SGM [0,1,0,0,0,0|1,0,2]=4 128 B5R0.3 CCC(CC)N D0M [0,1,0,0,0,0|1,0,1]=3 129 B5R0.3 CC[C@H](C)CN DCI [0,1,0,0,0,0|1,0,1]=3 130 B5R0.3 CC[C@H](C)CN MBA [0,1,0,0,0,0|1,0,1]=3 131 B5R1.1 C1CCNC1 VES [0,0,0,1,0,0|1,0,1]=3 132 B5R1.1 C1CCOC1 FU1 [0,0,0,1,0,0|0,0,2]=3 133 B5R1.3 C1CC1CO 09V [0,0,0,1,0,0|0,0,2]=3 134 B2R0.1 C(=O)=O CO2 [2,0,0,0,0,0|1,0,1]=4 135 B2R0.1 C(=O)N ARF [2,0,0,0,0,0|1,0,0]=3 136 B2R0.1 C(=O)O CBX [2,0,0,0,0,0|1,0,0]=3 137 B2R0.1 C(=O)O FMT [2,0,0,0,0,0|1,0,0]=3 138 B2R0.1 C(Br)Br 2BM [2,0,0,0,0,0|2,0,0]=4 139 B2R0.1 C=[N+]=[N-] 0HQ [2,0,0,0,0,0|2,0,0]=4 140 B2R0.1 CC#N CCN [2,0,0,0,0,0|1,0,1]=4 141 B2R0.1 CC=O ACE [2,0,0,0,0,0|0,0,0]=2 142 B2R0.1 CC=O ACU [2,0,0,0,0,0|0,0,0]=2 143 B2R0.1 CC=O MCB [2,0,0,0,0,0|0,0,0]=2 144 B2R0.1 CCBr BBX [2,0,0,0,0,0|1,0,0]=3 145 B2R0.1 CCC TME [2,0,0,0,0,0|0,0,0]=2 146 B2R0.1 CCCl MCE [2,0,0,0,0,0|1,0,0]=3 147 B2R0.1 CCI ETI [2,0,0,0,0,0|1,0,0]=3 148 B2R0.1 CCN NEH [2,0,0,0,0,0|1,0,0]=3 149 B2R0.1 CCO EOH [2,0,0,0,0,0|0,0,1]=3 150 B2R0.1 CCO EOX [2,0,0,0,0,0|0,0,1]=3 151 B2R0.1 CCO OHE [2,0,0,0,0,0|0,0,1]=3 152 B2R0.1 CCS SCC [2,0,0,0,0,0|0,1,0]=3 153 B2R0.1 CCS XL1 [2,0,0,0,0,0|0,1,0]=3 154 B2R0.1 CC[Hg+] EMC [2,0,0,0,0,0|1,0,0]=3 155 B2R0.1 CC[O] OXA [2,0,0,0,0,0|0,0,1]=3 156 B2R0.1 CN=N HDN [2,0,0,0,0,0|2,0,0]=4 157 B2R0.1 CN=O NSM [2,0,0,0,0,0|1,0,0]=3 158 B2R0.1 CNC DMN [2,0,0,0,0,0|1,0,0]=3 159 B2R0.1 COC 2F2 [2,0,0,0,0,0|1,0,0]=3 160 B2R0.1 CSC MSM [2,0,0,0,0,0|1,0,0]=3 161 B2R0.1 C[N+]#[C-] MNC [2,0,0,0,0,0|1,0,1]=4 162 B2R0.1 N(=O)[O-] NO2 [2,0,0,0,0,0|2,0,0]=4 163 B2R0.1 N(=O)[O] 2NO [2,0,0,0,0,0|2,0,0]=4 164 B2R0.1 N=C/C E1H [2,0,0,0,0,0|1,0,0]=3 165 B2R0.1 O=S=O SO2 [2,0,0,0,0,0|2,0,0]=4 166 B2R0.1 O=[Mo]=O 2MO [2,0,0,0,0,0|2,0,0]=4 167 B2R0.1 O=[Mo]=O MM4 [2,0,0,0,0,0|2,0,0]=4 168 B2R0.1 O=[Mo]S MOW [2,0,0,0,0,0|2,0,0]=4 169 B2R0.1 [O-]P=O PO2 [2,0,0,0,0,0|2,0,0]=4 170 B4R0.1 B(CC)(O)O 3QD [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 C(=O)(N)NO NHY [1,1,0,0,0,0|2,0,0]=4 172 B4R0.1 C(=O)C(=O)O GLV [1,1,0,0,0,0|1,0,1]=4 173 B4R0.1 C(C(=O)N)F FTM [1,1,0,0,0,0|1,0,0]=3 174 B4R0.1 C(C(=O)N)N GM1 [1,1,0,0,0,0|1,0,0]=3 175 B4R0.1 C(C(=O)O)Br BRM [1,1,0,0,0,0|1,0,0]=3 176 B4R0.1 C(C(=O)O)Br BXA [1,1,0,0,0,0|1,0,0]=3 177 B4R0.1 C(C(=O)O)Cl R3W [1,1,0,0,0,0|1,0,0]=3 178 B4R0.1 C(C(=O)O)F FAH [1,1,0,0,0,0|1,0,0]=3 179 B4R0.1 C(C(=O)O)I 04E [1,1,0,0,0,0|1,0,0]=3 180 B4R0.1 C(C(=O)O)N GLY [1,1,0,0,0,0|1,0,0]=3 181 B4R0.1 C(C(=O)O)N GLY_LFOH [1,1,0,0,0,0|1,0,0]=3 182 B4R0.1 C(C(=O)O)O GOA [1,1,0,0,0,0|1,0,0]=3 183 B4R0.1 C(C(=O)O)S MCR [1,1,0,0,0,0|1,0,0]=3 184 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [1,1,0,0,0,0|1,0,0]=3 185 B4R0.1 C(C(=O)S)N GL3 [1,1,0,0,0,0|1,0,0]=3 186 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [1,1,0,0,0,0|1,0,0]=3 187 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [1,1,0,0,0,0|1,0,0]=3 188 B4R0.1 C=C(CO)Br BRP [1,1,0,0,0,0|1,0,1]=4 189 B4R0.1 C=CC(=O)N 1HC [1,1,0,0,0,0|0,0,2]=4 190 B4R0.1 C=CC(=O)O AKR [1,1,0,0,0,0|0,0,2]=4 191 B4R0.1 CC(=C)C=C 61G [1,1,0,0,0,0|0,0,2]=4 192 B4R0.1 CC(=C)CN IRS [1,1,0,0,0,0|1,0,1]=4 193 B4R0.1 CC(=O)C=O PVL [1,1,0,0,0,0|0,0,1]=3 194 B4R0.1 CC(=O)CCl ATO [1,1,0,0,0,0|1,0,0]=3 195 B4R0.1 CC(=O)CN GCM [1,1,0,0,0,0|1,0,0]=3 196 B4R0.1 CC(=O)CN GLM [1,1,0,0,0,0|1,0,0]=3 197 B4R0.1 CC(=O)CO 4Y8 [1,1,0,0,0,0|1,0,0]=3 198 B4R0.1 CC(=O)NC NML [1,1,0,0,0,0|1,0,0]=3 199 B4R0.1 CC(=O)NO HAE [1,1,0,0,0,0|2,0,0]=4 200 B4R0.1 CC(=O)OO F50 [1,1,0,0,0,0|2,0,0]=4 201 B4R0.1 CC(=O)O[Hg+] MAC [1,1,0,0,0,0|2,0,0]=4 202 B4R0.1 CC(C)C=O 5OZ [1,1,0,0,0,0|0,0,0]=2 203 B4R0.1 CC(C)CN IBN [1,1,0,0,0,0|1,0,0]=3 204 B4R0.1 CC=C(C)C 2MB [1,1,0,0,0,0|1,0,1]=4 205 B4R0.1 CCC(=O)N ROP [1,1,0,0,0,0|0,0,0]=2 206 B4R0.1 CCC(=O)O PPI [1,1,0,0,0,0|0,0,0]=2 207 B4R0.1 CC[C@H](C)O SBT [1,1,0,0,0,0|0,0,1]=3 208 B4R0.1 CC[N+](=O)[O-] NIE [1,1,0,0,0,0|1,0,0]=3 209 B4R0.1 CN(C)C=O DMF [1,1,0,0,0,0|1,0,0]=3 210 B4R0.1 CNC(=O)N NMU [1,1,0,0,0,0|1,0,0]=3 211 B4R0.1 CNC(=O)O RGI [1,1,0,0,0,0|1,0,0]=3 212 B4R0.1 COC(=O)O 000 [1,1,0,0,0,0|1,0,0]=3 213 B4R0.1 C[C@@H](C=O)N 5XU [1,1,0,0,0,0|0,0,0]=2 214 B4R0.1 C[C@@H](CBr)O EBH [1,1,0,0,0,0|1,0,0]=3 215 B4R0.1 C[C@@H](CCl)Cl CP2 [1,1,0,0,0,0|1,0,0]=3 216 B4R0.1 C[C@@H](CO)N 2A1 [1,1,0,0,0,0|0,0,1]=3 217 B4R0.1 C[C@@H](CO)O PGO [1,1,0,0,0,0|0,0,1]=3 218 B4R0.1 C[C@@H](CO)O PGQ [1,1,0,0,0,0|0,0,1]=3 219 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,1,0,0,0,0|0,0,1]=3 220 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,1,0,0,0,0|0,0,1]=3 221 B4R0.1 C[C@H](CBr)O 1BP [1,1,0,0,0,0|1,0,0]=3 222 B4R0.1 C[C@H](CO)N 2A3 [1,1,0,0,0,0|0,0,1]=3 223 B4R0.1 C[C@H](CO)O HP3 [1,1,0,0,0,0|0,0,1]=3 224 B4R0.1 C[C@H](CO)O PGR [1,1,0,0,0,0|0,0,1]=3 225 B4R0.1 C[C@H](C[NH3+])O FOP [1,1,0,0,0,0|1,0,0]=3 226 B4R0.1 N=C(\N)/NC MGX [1,1,0,0,0,0|2,0,0]=4 227 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,2,0,0,0,0|0,0,2]=4 228 B6R0.1 C([C@@H](C=O)[NH3+])S[SeH] EYS [0,2,0,0,0,0|1,0,0]=3 229 B6R0.1 C([C@H](CSO)O)O SGL [0,2,0,0,0,0|1,0,1]=4 230 B6R0.1 CCC(=O)OCC CA1 [0,2,0,0,0,0|1,0,0]=3 231 B6R0.1 CCC[C@@H](CO)O 1SP [0,2,0,0,0,0|0,0,2]=4 232 B6R0.1 CCNC(=O)OC MEC [0,2,0,0,0,0|1,0,0]=3 233 B6R0.1 CCOC(=O)CN GEE [0,2,0,0,0,0|1,0,0]=3 234 B6R0.1 CCOC(=O)NC EMB [0,2,0,0,0,0|1,0,0]=3 235 B6R0.1 CCS[C@H](C)SC 0AJ [0,2,0,0,0,0|2,0,0]=4 236 B6R0.2 C(C(=O)N)C(=O)O MLM [0,2,0,0,0,0|1,0,1]=4 237 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,2,0,0,0,0|1,0,1]=4 238 B6R0.2 C(C(=O)O)C(=O)O MLA [0,2,0,0,0,0|1,0,1]=4 239 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,2,0,0,0,0|1,0,1]=4 240 B6R0.2 CC(=O)CC(=O)C P2D [0,2,0,0,0,0|0,0,1]=3 241 B6R0.2 CC(=O)CC(=O)O AAE [0,2,0,0,0,0|0,0,1]=3 242 B6R0.2 CC(=O)CC(=O)O LIN [0,2,0,0,0,0|0,0,1]=3 243 B6R0.2 CC(C)CC(=O)O IVA [0,2,0,0,0,0|0,0,0]=2 244 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,2,0,0,0,0|1,0,1]=4 245 B6R0.2 CC(C)SC(=N)N IPU [0,2,0,0,0,0|2,0,0]=4 246 B6R0.2 CN(C)CC(=O)O DMG [0,2,0,0,0,0|1,0,0]=3 247 B6R0.2 CS(C)CC(=O)O 313 [0,2,0,0,0,0|1,0,0]=3 248 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,2,0,0,0,0|0,0,0]=2 249 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,2,0,0,0,0|0,0,0]=2 250 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,2,0,0,0,0|0,0,0]=2 251 B6R0.3 C#C[C@@H](C(=O)O)N LPG [0,2,0,0,0,0|0,0,2]=4 252 B6R0.3 C(C(=O)C(=O)O)Br BPV [0,2,0,0,0,0|1,0,1]=4 253 B6R0.3 C(C(=O)C(=O)O)F 65S [0,2,0,0,0,0|1,0,1]=4 254 B6R0.3 C(C(=O)C(=O)O)O 3PY [0,2,0,0,0,0|1,0,1]=4 255 B6R0.3 C([C@@H](C(=O)N)N)O SET [0,2,0,0,0,0|1,0,0]=3 256 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [0,2,0,0,0,0|1,0,0]=3 257 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.3 C([C@@H](C(=O)O)N)N DPP [0,2,0,0,0,0|1,0,0]=3 259 B6R0.3 C([C@@H](C(=O)O)N)O SEG [0,2,0,0,0,0|1,0,0]=3 260 B6R0.3 C([C@@H](C(=O)O)N)O SER [0,2,0,0,0,0|1,0,0]=3 261 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [0,2,0,0,0,0|1,0,0]=3 262 B6R0.3 C([C@@H](C(=O)O)N)S BTC [0,2,0,0,0,0|1,0,0]=3 263 B6R0.3 C([C@@H](C(=O)O)N)S CYS [0,2,0,0,0,0|1,0,0]=3 264 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [0,2,0,0,0,0|1,0,0]=3 265 B6R0.3 C([C@@H](C(=O)O)N)S FCY [0,2,0,0,0,0|1,0,0]=3 266 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [0,2,0,0,0,0|1,0,0]=3 267 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [0,2,0,0,0,0|1,0,0]=3 268 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [0,2,0,0,0,0|1,0,0]=3 269 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [0,2,0,0,0,0|1,0,0]=3 270 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [0,2,0,0,0,0|1,0,0]=3 271 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [0,2,0,0,0,0|1,0,0]=3 272 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [0,2,0,0,0,0|1,0,0]=3 273 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [0,2,0,0,0,0|1,0,0]=3 274 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [0,2,0,0,0,0|1,0,0]=3 275 B6R0.3 C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.3 C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 [0,2,0,0,0,0|1,0,0]=3 277 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG [0,2,0,0,0,0|1,0,0]=3 278 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG [0,2,0,0,0,0|1,0,0]=3 279 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW [0,2,0,0,0,0|1,0,0]=3 280 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW [0,2,0,0,0,0|1,0,0]=3 281 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG [0,2,0,0,0,0|1,0,0]=3 282 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG [0,2,0,0,0,0|1,0,0]=3 283 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [0,2,0,0,0,0|1,0,0]=3 284 B6R0.3 C([C@H](C(=O)O)N)N 2RA [0,2,0,0,0,0|1,0,0]=3 285 B6R0.3 C([C@H](C(=O)O)N)O DSN [0,2,0,0,0,0|1,0,0]=3 286 B6R0.3 C([C@H](C(=O)O)N)S DCY [0,2,0,0,0,0|1,0,0]=3 287 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [0,2,0,0,0,0|1,0,0]=3 288 B6R0.3 C([C@H](C(=O)O)O)O DGY [0,2,0,0,0,0|1,0,0]=3 289 B6R0.3 C/C=C(/C(=O)O)\N DBU [0,2,0,0,0,0|0,0,2]=4 290 B6R0.3 C=C(C[SeH])C(=O)O CC4 [0,2,0,0,0,0|1,0,1]=4 291 B6R0.3 C=C[C@@H](C(=O)O)N LVG [0,2,0,0,0,0|0,0,2]=4 292 B6R0.3 C=C[C@H](C(=O)[O-])[NH3+] A3B [0,2,0,0,0,0|0,0,2]=4 293 B6R0.3 CC(=O)[C@H](CO)O DE2 [0,2,0,0,0,0|1,0,0]=3 294 B6R0.3 CC(C)[C@@H](CO)N VOL [0,2,0,0,0,0|0,0,2]=4 295 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,2,0,0,0,0|0,0,1]=3 296 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,2,0,0,0,0|0,0,1]=3 297 B6R0.3 CCC(=O)C(=O)O 2KT [0,2,0,0,0,0|0,0,1]=3 298 B6R0.3 CCC(C(=O)O)N AA3 [0,2,0,0,0,0|0,0,0]=2 299 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [0,2,0,0,0,0|0,0,0]=2 300 B6R0.3 CC[C@@H](C(=O)O)N AB7 [0,2,0,0,0,0|0,0,0]=2 301 B6R0.3 CC[C@@H](C(=O)O)N ABA [0,2,0,0,0,0|0,0,0]=2 302 B6R0.3 CC[C@@H](C(=O)O)N UNK [0,2,0,0,0,0|0,0,0]=2 303 B6R0.3 CC[C@H](C(=O)O)N DBB [0,2,0,0,0,0|0,0,0]=2 304 B6R0.3 CC[C@H](C)C(=O)O SMB [0,2,0,0,0,0|0,0,0]=2 305 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [0,2,0,0,0,0|1,0,0]=3 306 B6R0.3 CNC(=C)C(=O)O DAM [0,2,0,0,0,0|1,0,1]=4 307 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [0,2,0,0,0,0|1,0,0]=3 308 B6R0.3 C[C@@H](C(=O)O)NC MAA [0,2,0,0,0,0|1,0,0]=3 309 B6R0.3 C[C@@H](CN)C(=O)O 62H [0,2,0,0,0,0|1,0,0]=3 310 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [0,2,0,0,0,0|1,0,0]=3 311 B6R0.3 C[C@H](C(=O)O)NC 33X [0,2,0,0,0,0|1,0,0]=3 312 B6R0.3 C[C@H](CO)C(=O)O HIU [0,2,0,0,0,0|1,0,0]=3 313 B6R0.3 C[C@H](CS)C(=O)O CC8 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,2,0,0,0,0|0,0,2]=4 315 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,2,0,0,0,0|0,1,1]=4 316 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,2,0,0,0,0|0,0,1]=3 317 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [0,2,0,0,0,0|0,0,1]=3 318 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,2,0,0,0,0|0,0,1]=3 319 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [0,2,0,0,0,0|0,0,1]=3 320 B6R0.3 C\C=C(\C)/C(=O)O MB8 [0,2,0,0,0,0|0,0,2]=4 321 B6R0.3 N=C(/CO)\C(=O)O MH6 [0,2,0,0,0,0|1,0,1]=4 322 B6R0.3 N=C(/CO)\C(=O)O SRI [0,2,0,0,0,0|1,0,1]=4 323 B6R0.4 B(CCCC)(O)O BUB [0,2,0,0,0,0|0,0,2]=4 324 B6R0.4 C#CCCC(=O)O 54L [0,2,0,0,0,0|0,0,1]=3 325 B6R0.4 C(CC(=O)O)C=O SSN [0,2,0,0,0,0|0,0,1]=3 326 B6R0.4 C(CC(=O)O)CBr 0A5 [0,2,0,0,0,0|0,0,0]=2 327 B6R0.4 C(CC(=O)O)CN ABU [0,2,0,0,0,0|0,0,0]=2 328 B6R0.4 C(CSS)C(=O)O 3SS [0,2,0,0,0,0|1,0,0]=3 329 B6R0.4 CC(C)CCC=O MOP [0,2,0,0,0,0|0,0,0]=2 330 B6R0.4 CCCCC(=O)O LEA [0,2,0,0,0,0|0,0,0]=2 331 B6R0.4 CCCCC(=O)O PEI [0,2,0,0,0,0|0,0,0]=2 332 B6R0.4 CCCOC(=O)C 4PA [0,2,0,0,0,0|0,0,0]=2 333 B6R0.4 CCNCC(=O)O 2JC [0,2,0,0,0,0|0,0,0]=2 334 B6R0.4 CN(C)CCCN DIB [0,2,0,0,0,0|1,0,1]=4 335 B6R0.5 C(C=O)P(=O)(O)O POA [0,2,0,0,0,0|2,0,0]=4 336 B6R0.5 C(CP(=O)(O)O)N P7I [0,2,0,0,0,0|2,0,0]=4 337 B6R0.5 C(CP(=O)(O)O)O 2HE [0,2,0,0,0,0|2,0,0]=4 338 B6R0.5 C(CS(=O)(=O)O)N TAU [0,2,0,0,0,0|2,0,0]=4 339 B6R0.5 C(CS(=O)(=O)O)S COM [0,2,0,0,0,0|2,0,0]=4 340 B6R0.5 CC(C)(C)CCN 2G3 [0,2,0,0,0,0|1,0,1]=4 341 B6R0.5 CC(C)(C)CCO 33D [0,2,0,0,0,0|0,0,2]=4 342 B6R0.5 CC(C)(C)OC=O TBF [0,2,0,0,0,0|1,0,0]=3 343 B6R0.5 CCNP(=O)(O)O TCX [0,2,0,0,0,0|2,0,0]=4 344 B6R0.5 CCOP(=O)(O)O EFS [0,2,0,0,0,0|2,0,0]=4 345 B6R0.5 CCO[P@](=O)(C)O VX [0,2,0,0,0,0|2,0,0]=4 346 B6R0.5 C[N+](C)(C)CC=O BTL [0,2,0,0,0,0|1,0,0]=3 347 B6R0.6 C(CC=N)CC=O ARN [0,2,0,0,0,0|0,0,0]=2 348 B6R0.6 C(CC=O)CC=O PTD [0,2,0,0,0,0|0,0,0]=2 349 B6R0.6 C(CCN)CCN N2P [0,2,0,0,0,0|1,0,1]=4 350 B6R0.6 C(CCNN)CN 01H [0,2,0,0,0,0|1,0,1]=4 351 B6R0.6 C(CCO)CC=O GAQ [0,2,0,0,0,0|0,0,0]=2 352 B6R0.6 C(COCC=O)O 1KA [0,2,0,0,0,0|0,0,0]=2 353 B6R0.6 C(COCCO)O PEG [0,2,0,0,0,0|0,0,2]=4 354 B6R0.6 CCCCCCC HP6 [0,2,0,0,0,0|1,0,1]=4 355 B6R0.6 CCCCCCO HE2 [0,2,0,0,0,0|0,0,2]=4 356 B6R0.6 CCCCNC=O YIV [0,2,0,0,0,0|0,0,0]=2 357 B6R0.6 CCCSCCO 266 [0,2,0,0,0,0|0,0,2]=4 358 B6R1.2 C1CC(=O)NC1 BAQ [0,1,0,1,0,0|0,0,0]=2 359 B6R1.2 C1CC(=O)OC1 GBL [0,1,0,1,0,0|0,0,0]=2 360 B6R1.2 C1CCC(=O)C1 MFW [0,1,0,1,0,0|0,0,0]=2 361 B6R1.2 C1CCC(C1)N 1CB [0,1,0,1,0,0|1,0,1]=4 362 B6R1.2 C1CCC(C1)O YEG [0,1,0,1,0,0|0,0,2]=4 363 B6R1.2 C1CNC[C@@H]1N 04S [0,1,0,1,0,0|1,0,1]=4 364 B6R1.2 C1CNC[C@H]1O 6SP [0,1,0,1,0,0|0,0,2]=4 365 B6R1.2 C1CSC(=N1)N ATQ [0,1,0,1,0,0|1,1,0]=4 366 B6R1.3 COCC1CC1 09U [0,1,0,1,0,0|0,0,2]=4 367 B6R1.1 C1CCCCC1 CHX [0,1,0,1,0,0|1,0,1]=4 368 B6R1.1 C1CCNCC1 PIP [0,1,0,1,0,0|1,0,1]=4 369 B6R1.1 C1CCOCC1 PYE [0,1,0,1,0,0|0,0,2]=4 370 B6R1.1 C1CNCCN1 PZE [0,1,0,1,0,0|1,0,1]=4 371 B6R1.1 C1COCCN1 6LR [0,1,0,1,0,0|0,0,2]=4 372 B6R1.1 C1COCCO1 DIO [0,1,0,1,0,0|0,0,2]=4 373 B6R1.1 C1COCCO1 DOX [0,1,0,1,0,0|0,0,2]=4