0 B6R0.4 B(CCCC)(O)O BUB [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C#CCCC(=O)O 54L [0,0,0,0,0,0|1,0,1]=2 2 B6R0.4 C(CC(=O)O)C=O SSN [0,0,0,0,0,0|1,0,1]=2 3 B6R0.4 C(CC(=O)O)CBr 0A5 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.4 C(CC(=O)O)CN ABU [0,0,0,0,0,0|0,0,0]=0 5 B6R0.4 C(CSS)C(=O)O 3SS [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CCCCC(=O)O LEA [0,0,0,0,0,0|1,0,0]=1 7 B6R0.4 CCCCC(=O)O PEI [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 CCCOC(=O)C 4PA [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CCNCC(=O)O 2JC [0,0,0,0,0,0|2,0,0]=2 10 B6R0.4 CN(C)CCCN DIB [0,0,0,0,0,0|3,0,0]=3 11 B5R0.1 C(C(=O)O)ON AOA [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 C(CN)C(=O)O BAL [1,0,0,0,0,0|0,0,0]=1 13 B5R0.1 C(CO)C(=O)O 3OH [1,0,0,0,0,0|1,0,0]=2 14 B5R0.1 C(CS)C(=O)O MPT [1,0,0,0,0,0|1,0,0]=2 15 B5R0.1 C(C[SeH])C(=O)O SLP [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 C=C(CCO)Br 3BB [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 CC(C)CCN LEN [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CC=CC(=O)O BEO [1,0,0,0,0,0|0,0,2]=3 20 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CCCC(=O)N BMD [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CCCC(=O)O BUA [1,0,0,0,0,0|0,0,0]=1 23 B5R0.1 CCC[N+](=O)[O-] N1P [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 CCOC(=O)C EEE [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CCOC(=O)O 01F [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 CCO[P@H](=O)O ATJ [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 CCSC(=N)N ITU [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CCSC(=N)N SEU [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CNCC(=O)O MGY [1,0,0,0,0,0|1,0,0]=2 30 B5R0.1 CNCC(=O)O SAR [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CSCC(=O)[O-] MTG [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 CSC[S@@](=O)C DSS [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 C[C@@H](CCO)O BU2 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 C[C@H](CCO)O BU4 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,0,0,0,0|1,0,1]=3 37 B5R0.1 N=C(/N)\NCC EGD [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 N=C(\N)/[Se]CC ISU [1,0,0,0,0,0|3,0,0]=4 39 B5R0.2 C(CCN)CN PUT [1,0,0,0,0,0|1,0,1]=3 40 B5R0.2 C(CCO)CO BU1 [1,0,0,0,0,0|1,0,1]=3 41 B5R0.2 C(CCO)C[NH3+] 4HA [1,0,0,0,0,0|0,0,2]=3 42 B5R0.2 C(CCl)NC=O CEC [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 C(CN)CON XAP [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CCC/C=N\O BXO [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CCCCC=O PTL [1,0,0,0,0,0|1,0,0]=2 46 B5R0.2 CCCCCBr 5BR [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 CCCCCC HEX [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CCCCCCl 7CL [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CCCCCN AML [1,0,0,0,0,0|1,0,1]=3 50 B5R0.2 CCCCCO PE9 [1,0,0,0,0,0|1,0,1]=3 51 B5R0.2 CCCC[N+]#[C-] NBN [1,0,0,0,0,0|3,0,0]=4 52 B5R0.2 CCOCCO ETX [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 CNCCCN N3D [1,0,0,0,0,0|2,0,0]=3 54 B7R0.2 C(C(=O)O)N(C=O)O HDA [0,1,0,0,0,0|2,0,1]=4 55 B7R0.2 C([C@@H](C=O)N)C(=O)O ASA [0,1,0,0,0,0|1,0,1]=3 56 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,1,0,0,0,0|1,0,0]=2 57 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)N ASN_LL [0,1,0,0,0,0|2,0,1]=4 58 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL [0,1,0,0,0,0|1,0,1]=3 59 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)[O-] ASP_LL_DHD2 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)N ASN_LSN3 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 [0,1,0,0,0,0|1,0,1]=3 62 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)[O-] ASP_LSN3_DHD2 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,1,0,0,0,0|1,0,0]=2 64 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,1,0,0,0,0|1,0,0]=2 65 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,1,0,0,0,0|1,0,2]=4 66 B7R0.3 CCCC[C@@H](C=O)N LYW [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 CCCC[C@@H](CO)N 2AO [0,1,0,0,0,0|2,0,1]=4 68 B7R0.3 CCCC[C@@H](CO)O 0RE [0,1,0,0,0,0|1,0,2]=4 69 B7R0.3 CCCC[C@H](CO)O 7FB [0,1,0,0,0,0|1,0,2]=4 70 B7R0.3 COC(=O)CCCN GVE [0,1,0,0,0,0|0,0,0]=1 71 B7R0.4 C(CCO)CC(=O)O SHO [0,1,0,0,0,0|1,0,0]=2 72 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,1,0,0,0,0|0,0,1]=2 73 B7R0.4 C(CNC(=[NH2+])N)CO PG3 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.4 C(COCC(=O)O)O VKC [0,1,0,0,0,0|1,0,0]=2 75 B7R0.4 C(CSCC(=O)O)N ESD [0,1,0,0,0,0|0,0,0]=1 76 B7R0.4 C(C[O-])CO[P+](=O)[O-] P1P [0,1,0,0,0,0|2,0,1]=4 77 B7R0.4 C(\C=C\CN)C(=O)O FBE [0,1,0,0,0,0|0,0,1]=2 78 B7R0.4 CCCCCC(=O)C HTX [0,1,0,0,0,0|2,0,0]=3 79 B7R0.4 CCCCCC(=O)O 6NA [0,1,0,0,0,0|1,0,0]=2 80 B7R0.4 CCCCOC(=O)C 8JZ [0,1,0,0,0,0|2,0,0]=3 81 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 C#CC[C@@H](C(=O)O)N LPH [0,1,0,0,0,0|1,0,1]=3 83 B7R0.5 C(C=O)[C@H](C(=O)O)N AS2 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.5 C(CN)[C@@H](C(=O)O)N DAB [0,1,0,0,0,0|0,0,0]=1 85 B7R0.5 C(CN)[C@H](C(=O)O)N 4FO [0,1,0,0,0,0|0,0,0]=1 86 B7R0.5 C(CN)[C@H](C(=O)O)O 42B [0,1,0,0,0,0|0,0,0]=1 87 B7R0.5 C(CO)C(=O)C(=O)O VGX [0,1,0,0,0,0|1,0,1]=3 88 B7R0.5 C(CO)[C@@H](C(=O)O)N HSE [0,1,0,0,0,0|1,0,0]=2 89 B7R0.5 C(CS)[C@@H](C(=O)O)N HCS [0,1,0,0,0,0|1,0,0]=2 90 B7R0.5 C(CS)[C@H](C(=O)O)N KCY [0,1,0,0,0,0|1,0,0]=2 91 B7R0.5 C([C@@H](C(=O)O)N)SO CEA [0,1,0,0,0,0|2,0,0]=3 92 B7R0.5 C([C@@H](C(=O)O)N)SO CSO [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 C([C@@H](C(=O)O)N)SS CSS [0,1,0,0,0,0|2,0,0]=3 94 B7R0.5 C([C@@H](C(=O)O)N)S[Pb+] CSB [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 C([C@@H](C(=O)O)N)S[SeH] CSZ [0,1,0,0,0,0|2,0,0]=3 96 B7R0.5 C([C@@H](C(=O)O)N)[SH]=O CSX [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 C([C@@H](C(=O)O)N)[SeH]=O UOX [0,1,0,0,0,0|2,0,0]=3 98 B7R0.5 C([C@@H](C(=O)O)N)[Se]S PSW [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 C=CC[C@@H](C(=O)O)N 2AG [0,1,0,0,0,0|1,0,1]=3 100 B7R0.5 C=CC[C@H](C(=O)O)N DYL [0,1,0,0,0,0|1,0,1]=3 101 B7R0.5 CCCC(=O)C(=O)O 69O [0,1,0,0,0,0|1,0,1]=3 102 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [0,1,0,0,0,0|1,0,0]=2 103 B7R0.5 CCC[C@@H](C(=O)O)N BTA [0,1,0,0,0,0|1,0,0]=2 104 B7R0.5 CCC[C@@H](C(=O)O)N NVA [0,1,0,0,0,0|1,0,0]=2 105 B7R0.5 CCC[C@@H](C(=O)O)N RON [0,1,0,0,0,0|1,0,0]=2 106 B7R0.5 CCS[C@@H](C(=O)O)N GSC [0,1,0,0,0,0|2,0,0]=3 107 B7R0.5 COC[C@@H](C(=O)O)N 7C9 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.5 CSC[C@@H](C(=O)O)N CYM [0,1,0,0,0,0|2,0,0]=3 109 B7R0.5 CSC[C@@H](C(=O)O)N SMC [0,1,0,0,0,0|2,0,0]=3 110 B7R0.5 CSC[C@H](C(=O)O)N 060 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,1,0,0,0,0|1,0,1]=3 112 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [0,1,0,0,0,0|2,0,0]=3 113 B7R0.6 CC(=O)CCC(=O)O SHF [0,1,0,0,0,0|1,0,1]=3 114 B7R0.6 CC(=O)NCC(=O)O AAC [0,1,0,0,0,0|2,0,1]=4 115 B7R0.6 CC(C)CCC(=O)O 4MV [0,1,0,0,0,0|1,0,0]=2 116 B7R0.6 CC(C)COC(=O)O IBU [0,1,0,0,0,0|2,0,0]=3 117 B7R0.6 CC(C)NCC(=O)O IPG [0,1,0,0,0,0|2,0,0]=3 118 B7R0.6 CS(C)CCC(=O)O DQY [0,1,0,0,0,0|2,0,0]=3 119 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,1,0,0,0,0|0,0,0]=1 120 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.6 N=C(\N)/NCC(=O)O NMG [0,1,0,0,0,0|1,0,1]=3 122 B7R0.8 C(CN)CS(=O)(=O)O A20 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.8 C(CO)CS(=O)(=O)O 54O [0,1,0,0,0,0|2,0,0]=3 124 B7R0.8 C(COP(=O)(O)O)N OPE [0,1,0,0,0,0|2,0,0]=3 125 B7R0.8 CCCCP(=O)(O)O CCP [0,1,0,0,0,0|2,0,0]=3 126 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,1,0,0|2,0,1]=4 127 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,0,1,0,0|2,0,0]=3 128 B7R1.3 C1CCC(=O)CC1 CYH [0,0,0,1,0,0|2,0,0]=3 129 B7R1.3 C1CCC(CC1)O CXL [0,0,0,1,0,0|2,0,1]=4 130 B7R1.3 C1CCNC(=N)C1 2IM [0,0,0,1,0,0|3,0,0]=4 131 B7R1.7 CCCC[C@@H]1CO1 0PZ [0,0,0,1,0,0|2,0,1]=4 132 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.18 C1CN[C@@H]1C(=O)O 02A [0,0,0,1,0,0|0,0,0]=1 134 B4R0.1 B(CC)(O)O 3QD [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 C(=O)C(=O)O GLV [2,0,0,0,0,0|1,0,1]=4 136 B4R0.1 C(C(=O)N)F FTM [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 C(C(=O)N)N GM1 [2,0,0,0,0,0|1,0,0]=3 138 B4R0.1 C(C(=O)O)Br BRM [2,0,0,0,0,0|1,0,0]=3 139 B4R0.1 C(C(=O)O)Br BXA [2,0,0,0,0,0|1,0,0]=3 140 B4R0.1 C(C(=O)O)Cl R3W [2,0,0,0,0,0|1,0,0]=3 141 B4R0.1 C(C(=O)O)F FAH [2,0,0,0,0,0|1,0,0]=3 142 B4R0.1 C(C(=O)O)I 04E [2,0,0,0,0,0|1,0,0]=3 143 B4R0.1 C(C(=O)O)N GLY [2,0,0,0,0,0|0,0,0]=2 144 B4R0.1 C(C(=O)O)N GLY_LFOH [2,0,0,0,0,0|0,0,0]=2 145 B4R0.1 C(C(=O)O)O GOA [2,0,0,0,0,0|1,0,0]=3 146 B4R0.1 C(C(=O)O)S MCR [2,0,0,0,0,0|1,0,0]=3 147 B4R0.1 C(C(=O)O)[NH-] GLY_LEO2H [2,0,0,0,0,0|0,0,1]=3 148 B4R0.1 C(C(=O)S)N GL3 [2,0,0,0,0,0|0,1,0]=3 149 B4R0.1 C(C(=O)[O-])[NH-] GLY_LEO2 [2,0,0,0,0,0|0,0,2]=4 150 B4R0.1 C(C(=O)[O-])[NH3+] GLY_LFZW [2,0,0,0,0,0|0,0,2]=4 151 B4R0.1 C=CC(=O)O AKR [2,0,0,0,0,0|0,0,2]=4 152 B4R0.1 CC(=C)CN IRS [2,0,0,0,0,0|2,0,0]=4 153 B4R0.1 CC(=O)CCl ATO [2,0,0,0,0,0|2,0,0]=4 154 B4R0.1 CC(=O)CN GCM [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 CC(=O)CN GLM [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.1 CC(=O)NC NML [2,0,0,0,0,0|2,0,0]=4 158 B4R0.1 CCC(=O)N ROP [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|0,0,0]=2 160 B4R0.1 CC[C@H](C)O SBT [2,0,0,0,0,0|1,0,1]=4 161 B4R0.1 CC[N+](=O)[O-] NIE [2,0,0,0,0,0|1,0,1]=4 162 B4R0.1 CNC(=O)N NMU [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 CNC(=O)O RGI [2,0,0,0,0,0|1,0,0]=3 164 B4R0.1 COC(=O)O 000 [2,0,0,0,0,0|1,0,0]=3 165 B4R0.2 C(C=O)C=O MDD [2,0,0,0,0,0|1,0,1]=4 166 B4R0.2 C(CCl)CCl 0CL [2,0,0,0,0,0|2,0,0]=4 167 B4R0.2 C(CN)CBr 4LJ [2,0,0,0,0,0|1,0,0]=3 168 B4R0.2 C(CN)CN 13D [2,0,0,0,0,0|1,0,0]=3 169 B4R0.2 C(CN)CO 0D8 [2,0,0,0,0,0|0,0,0]=2 170 B4R0.2 C(CO)CCl 3CL [2,0,0,0,0,0|1,0,0]=3 171 B4R0.2 C(CO)CO HPG [2,0,0,0,0,0|1,0,0]=3 172 B4R0.2 C(CO)CO PDO [2,0,0,0,0,0|1,0,0]=3 173 B4R0.2 C(CS)C=O MPR [2,0,0,0,0,0|1,0,0]=3 174 B4R0.2 C(CS)CS PDT [2,0,0,0,0,0|1,1,0]=4 175 B4R0.2 C(O)OCO 21H [2,0,0,0,0,0|2,0,0]=4 176 B4R0.2 C/C=C/C=O CRD [2,0,0,0,0,0|0,0,2]=4 177 B4R0.2 CC/C=N\O PXO [2,0,0,0,0,0|1,0,1]=4 178 B4R0.2 CCCCBr BBU [2,0,0,0,0,0|1,0,1]=4 179 B4R0.2 CCCCC LNK [2,0,0,0,0,0|1,0,1]=4 180 B4R0.2 CCCCN LYT [2,0,0,0,0,0|0,0,1]=3 181 B4R0.2 CCCCO 1BO [2,0,0,0,0,0|0,0,1]=3 182 B4R0.2 CCC[N+]#[C-] NPN [2,0,0,0,0,0|2,0,0]=4 183 B4R0.2 CCOC=O ETO [2,0,0,0,0,0|1,0,0]=3 184 B4R0.2 COCCO MXE [2,0,0,0,0,0|1,0,1]=4 185 B6R0.1 CCC(=O)OCC CA1 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.1 CCC[C@@H](CO)O 1SP [1,1,0,0,0,0|0,0,2]=4 187 B6R0.1 CCNC(=O)OC MEC [1,1,0,0,0,0|1,0,0]=3 188 B6R0.1 CCOC(=O)CN GEE [1,1,0,0,0,0|2,0,0]=4 189 B6R0.1 CCOC(=O)NC EMB [1,1,0,0,0,0|2,0,0]=4 190 B6R0.2 C(C(=O)N)C(=O)O MLM [1,1,0,0,0,0|0,0,1]=3 191 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [1,1,0,0,0,0|1,0,1]=4 192 B6R0.2 C(C(=O)O)C(=O)O MLA [1,1,0,0,0,0|1,0,1]=4 193 B6R0.2 CC(=O)CC(=O)C P2D [1,1,0,0,0,0|1,0,1]=4 194 B6R0.2 CC(=O)CC(=O)O AAE [1,1,0,0,0,0|0,0,1]=3 195 B6R0.2 CC(=O)CC(=O)O LIN [1,1,0,0,0,0|0,0,1]=3 196 B6R0.2 CC(C)CC(=O)O IVA [1,1,0,0,0,0|0,0,0]=2 197 B6R0.2 CN(C)CC(=O)O DMG [1,1,0,0,0,0|1,0,0]=3 198 B6R0.2 CS(C)CC(=O)O 313 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,1,0,0,0,0|0,0,0]=2 200 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,1,0,0,0,0|0,0,0]=2 201 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,1,0,0,0,0|0,0,0]=2 202 B6R0.3 C#C[C@@H](C(=O)O)N LPG [1,1,0,0,0,0|0,0,2]=4 203 B6R0.3 C(C(=O)C(=O)O)Br BPV [1,1,0,0,0,0|1,0,1]=4 204 B6R0.3 C(C(=O)C(=O)O)F 65S [1,1,0,0,0,0|1,0,1]=4 205 B6R0.3 C(C(=O)C(=O)O)O 3PY [1,1,0,0,0,0|1,0,1]=4 206 B6R0.3 C([C@@H](C(=O)N)N)O SET [1,1,0,0,0,0|2,0,0]=4 207 B6R0.3 C([C@@H](C(=O)N)N)S CY3 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.3 C([C@@H](C(=O)O)N)Cl C22 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.3 C([C@@H](C(=O)O)N)N DPP [1,1,0,0,0,0|0,0,0]=2 210 B6R0.3 C([C@@H](C(=O)O)N)O SEG [1,1,0,0,0,0|1,0,0]=3 211 B6R0.3 C([C@@H](C(=O)O)N)O SER [1,1,0,0,0,0|1,0,0]=3 212 B6R0.3 C([C@@H](C(=O)O)N)O SER_LFOH [1,1,0,0,0,0|1,0,0]=3 213 B6R0.3 C([C@@H](C(=O)O)N)S BTC [1,1,0,0,0,0|1,0,0]=3 214 B6R0.3 C([C@@H](C(=O)O)N)S CYS [1,1,0,0,0,0|1,0,0]=3 215 B6R0.3 C([C@@H](C(=O)O)N)S CYS_LFOH [1,1,0,0,0,0|1,0,0]=3 216 B6R0.3 C([C@@H](C(=O)O)N)S FCY [1,1,0,0,0,0|1,0,0]=3 217 B6R0.3 C([C@@H](C(=O)O)N)[NH3+] DNP [1,1,0,0,0,0|0,0,1]=3 218 B6R0.3 C([C@@H](C(=O)O)N)[O-] SER_LFOH_DHG [1,1,0,0,0,0|1,0,0]=3 219 B6R0.3 C([C@@H](C(=O)O)N)[S-] CYS_LFOH_DHG [1,1,0,0,0,0|1,0,0]=3 220 B6R0.3 C([C@@H](C(=O)O)N)[SeH] CSE [1,1,0,0,0,0|1,0,0]=3 221 B6R0.3 C([C@@H](C(=O)O)N)[SeH] SEC [1,1,0,0,0,0|1,0,0]=3 222 B6R0.3 C([C@@H](C(=O)O)[NH-])O SER_LEO2H [1,1,0,0,0,0|1,0,0]=3 223 B6R0.3 C([C@@H](C(=O)O)[NH-])S CYS_LEO2H [1,1,0,0,0,0|1,0,0]=3 224 B6R0.3 C([C@@H](C(=O)O)[NH-])[O-] SER_LEO2H_DHG [1,1,0,0,0,0|1,0,0]=3 225 B6R0.3 C([C@@H](C(=O)O)[NH-])[S-] CYS_LEO2H_DHG [1,1,0,0,0,0|1,0,0]=3 226 B6R0.3 C([C@@H](C(=O)[O-])[NH-])O SER_LEO2 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.3 C([C@@H](C(=O)[O-])[NH-])S CYS_LEO2 [1,1,0,0,0,0|1,0,1]=4 228 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[O-] SER_LEO2_DHG [1,1,0,0,0,0|1,0,1]=4 229 B6R0.3 C([C@@H](C(=O)[O-])[NH-])[S-] CYS_LEO2_DHG [1,1,0,0,0,0|1,0,1]=4 230 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])O SER_LFZW [1,1,0,0,0,0|1,0,1]=4 231 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])S CYS_LFZW [1,1,0,0,0,0|1,0,1]=4 232 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[O-] SER_LFZW_DHG [1,1,0,0,0,0|1,0,1]=4 233 B6R0.3 C([C@@H](C(=O)[O-])[NH3+])[S-] CYS_LFZW_DHG [1,1,0,0,0,0|1,0,1]=4 234 B6R0.3 C([C@H](C(=O)O)N)Cl C2N [1,1,0,0,0,0|1,0,0]=3 235 B6R0.3 C([C@H](C(=O)O)N)N 2RA [1,1,0,0,0,0|0,0,0]=2 236 B6R0.3 C([C@H](C(=O)O)N)O DSN [1,1,0,0,0,0|1,0,0]=3 237 B6R0.3 C([C@H](C(=O)O)N)S DCY [1,1,0,0,0,0|1,0,0]=3 238 B6R0.3 C([C@H](C(=O)O)O)N 0QZ [1,1,0,0,0,0|0,0,0]=2 239 B6R0.3 C([C@H](C(=O)O)O)O DGY [1,1,0,0,0,0|1,0,0]=3 240 B6R0.3 C/C=C(/C(=O)O)\N DBU [1,1,0,0,0,0|0,0,2]=4 241 B6R0.3 C=C(C[SeH])C(=O)O CC4 [1,1,0,0,0,0|1,0,1]=4 242 B6R0.3 C=C[C@@H](C(=O)O)N LVG [1,1,0,0,0,0|0,0,2]=4 243 B6R0.3 CC(=O)[C@H](CO)O DE2 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.3 CCC(=O)C(=O)O 2KT [1,1,0,0,0,0|0,0,1]=3 245 B6R0.3 CCC(C(=O)O)N AA3 [1,1,0,0,0,0|0,0,0]=2 246 B6R0.3 CC[C@@H](C(=O)O)Cl 39J [1,1,0,0,0,0|0,0,0]=2 247 B6R0.3 CC[C@@H](C(=O)O)N AB7 [1,1,0,0,0,0|0,0,0]=2 248 B6R0.3 CC[C@@H](C(=O)O)N ABA [1,1,0,0,0,0|0,0,0]=2 249 B6R0.3 CC[C@@H](C(=O)O)N UNK [1,1,0,0,0,0|0,0,0]=2 250 B6R0.3 CC[C@H](C(=O)O)N DBB [1,1,0,0,0,0|0,0,0]=2 251 B6R0.3 CC[C@H](C)C(=O)O SMB [1,1,0,0,0,0|0,0,0]=2 252 B6R0.3 CC[C@H](C)[N+](=O)[O-] NBT [1,1,0,0,0,0|1,0,1]=4 253 B6R0.3 CNC(=C)C(=O)O DAM [1,1,0,0,0,0|1,0,1]=4 254 B6R0.3 C[C@@H](C(=O)N)NC ZZJ [1,1,0,0,0,0|2,0,0]=4 255 B6R0.3 C[C@@H](C(=O)O)NC MAA [1,1,0,0,0,0|1,0,0]=3 256 B6R0.3 C[C@@H](CN)C(=O)O 62H [1,1,0,0,0,0|0,0,0]=2 257 B6R0.3 C[C@@H](CN)C(=O)[O-] BIB [1,1,0,0,0,0|0,0,1]=3 258 B6R0.3 C[C@H](C(=O)O)NC 33X [1,1,0,0,0,0|1,0,0]=3 259 B6R0.3 C[C@H](CO)C(=O)O HIU [1,1,0,0,0,0|1,0,0]=3 260 B6R0.3 C[C@H](CS)C(=O)O CC8 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.3 C\C=C(\C)/C(=O)O MB8 [1,1,0,0,0,0|0,0,2]=4 262 B6R0.3 N=C(/CO)\C(=O)O MH6 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.3 N=C(/CO)\C(=O)O SRI [1,1,0,0,0,0|1,0,1]=4 264 B6R0.5 C(CP(=O)(O)O)N P7I [1,1,0,0,0,0|1,0,0]=3 265 B6R0.5 C(CP(=O)(O)O)O 2HE [1,1,0,0,0,0|2,0,0]=4 266 B6R0.5 C(CS(=O)(=O)O)N TAU [1,1,0,0,0,0|1,0,0]=3 267 B6R0.5 C(CS(=O)(=O)O)S COM [1,1,0,0,0,0|2,0,0]=4 268 B6R0.5 CCNP(=O)(O)O TCX [1,1,0,0,0,0|2,0,0]=4 269 B6R0.5 CCOP(=O)(O)O EFS [1,1,0,0,0,0|2,0,0]=4 270 B6R0.5 CCO[P@](=O)(C)O VX [1,1,0,0,0,0|2,0,0]=4 271 B6R0.6 C(CC=N)CC=O ARN [1,1,0,0,0,0|0,0,1]=3 272 B6R0.6 C(CC=O)CC=O PTD [1,1,0,0,0,0|1,0,0]=3 273 B6R0.6 C(CCN)CCN N2P [1,1,0,0,0,0|1,0,1]=4 274 B6R0.6 C(CCNN)CN 01H [1,1,0,0,0,0|1,0,1]=4 275 B6R0.6 C(CCO)CC=O GAQ [1,1,0,0,0,0|1,0,0]=3 276 B6R0.6 C(COCC=O)O 1KA [1,1,0,0,0,0|1,0,0]=3 277 B6R0.6 C(COCCO)O PEG [1,1,0,0,0,0|1,0,1]=4 278 B6R0.6 CCCCCCO HE2 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.6 CCCCNC=O YIV [1,1,0,0,0,0|1,0,0]=3 280 B6R0.6 CCCSCCO 266 [1,1,0,0,0,0|1,0,1]=4 281 B8R0.2 C([C@@H]([C@H](C(=O)O)O)O)O LTH [0,2,0,0,0,0|1,0,0]=3 282 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)Cl CTH [0,2,0,0,0,0|1,0,0]=3 283 B8R0.2 C([C@H]([C@@H](C(=O)O)N)O)O TH6 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.2 C([C@H]([C@@H](C(=O)[O-])O)O)O THE [0,2,0,0,0,0|1,0,1]=4 285 B8R0.2 C([C@H]([C@H](C(=O)O)O)O)N PRW [0,2,0,0,0,0|0,0,0]=2 286 B8R0.2 C([C@H]([C@H](C(=O)O)O)O)O EAX [0,2,0,0,0,0|1,0,0]=3 287 B8R0.2 CC([C@H](C(=O)O)N)OC XDT [0,2,0,0,0,0|2,0,0]=4 288 B8R0.2 CC([C@H](C(=O)O)N)SC 1ME [0,2,0,0,0,0|2,0,0]=4 289 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N IIL [0,2,0,0,0,0|1,0,0]=3 290 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N DIL [0,2,0,0,0,0|1,0,0]=3 291 B8R0.2 CC[C@H](C)C(=O)C(=O)O 1QQ [0,2,0,0,0,0|1,0,1]=4 292 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE [0,2,0,0,0,0|1,0,0]=3 293 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH [0,2,0,0,0,0|1,0,0]=3 294 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)O OIL [0,2,0,0,0,0|1,0,0]=3 295 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H [0,2,0,0,0,0|1,0,0]=3 296 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 [0,2,0,0,0,0|1,0,1]=4 297 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW [0,2,0,0,0,0|1,0,1]=4 298 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N 28J [0,2,0,0,0,0|1,0,0]=3 299 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)O VAH [0,2,0,0,0,0|1,0,0]=3 300 B8R0.2 C[C@H](C=O)[C@@H](C(=O)O)N LVN [0,2,0,0,0,0|1,0,1]=4 301 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC OLT [0,2,0,0,0,0|2,0,0]=4 302 B8R0.5 C(CO)C(=O)CC(=O)O 98J [0,2,0,0,0,0|1,0,0]=3 303 B8R0.23 *=C(*)C[C@@H](C(=O)O)N ASX [0,2,0,0,0,0|1,0,1]=4 304 B8R0.23 C(C(=O)N)N(C(=O)O)N ZSN [0,2,0,0,0,0|1,0,1]=4 305 B8R0.23 C([C@@H](C(=O)N)N)C(=O)O XSN [0,2,0,0,0,0|0,0,1]=3 306 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN [0,2,0,0,0,0|0,0,1]=3 307 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N ASN_LFOH [0,2,0,0,0,0|0,0,1]=3 308 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP [0,2,0,0,0,0|1,0,1]=4 309 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O ASP_LFOH [0,2,0,0,0,0|1,0,1]=4 310 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O IAS [0,2,0,0,0,0|1,0,1]=4 311 B8R0.23 C([C@@H](C(=O)O)N)C(=O)[O-] ASP_LFOH_DHD2 [0,2,0,0,0,0|1,0,1]=4 312 B8R0.23 C([C@@H](C(=O)O)N)C(F)F OBF [0,2,0,0,0,0|1,0,0]=3 313 B8R0.23 C([C@@H](C(=O)O)N)C(O)O UN2 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.23 C([C@@H](C(=O)O)N)S(=O)O CSW [0,2,0,0,0,0|2,0,0]=4 315 B8R0.23 C([C@@H](C(=O)O)N)[S@@](=O)O CSD [0,2,0,0,0,0|2,0,0]=4 316 B8R0.23 C([C@@H](C(=O)O)N)[SeH](=O)=O SOC [0,2,0,0,0,0|2,0,0]=4 317 B8R0.23 C([C@@H](C(=O)O)N)[Se](=O)O SE7 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O LMR [0,2,0,0,0,0|1,0,1]=4 319 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)N ASN_LEO2H [0,2,0,0,0,0|0,0,1]=3 320 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)O ASP_LEO2H [0,2,0,0,0,0|1,0,1]=4 321 B8R0.23 C([C@@H](C(=O)O)[NH-])C(=O)[O-] ASP_LEO2H_DHD2 [0,2,0,0,0,0|1,0,1]=4 322 B8R0.23 C([C@@H](C(=O)[O-])N)C(=O)O ASI [0,2,0,0,0,0|1,0,1]=4 323 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)N ASN_LEO2 [0,2,0,0,0,0|0,0,2]=4 324 B8R0.23 C([C@@H](C(=O)[O-])[NH-])C(=O)O ASP_LEO2 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)N ASN_LFZW [0,2,0,0,0,0|0,0,2]=4 326 B8R0.23 C([C@@H](C(=O)[O-])[NH3+])C(=O)O ASP_LFZW [0,2,0,0,0,0|1,0,1]=4 327 B8R0.23 C([C@@H](C(O)O)N)C(=O)O AKZ [0,2,0,0,0,0|1,0,0]=3 328 B8R0.23 C([C@H](C(=O)O)N)C(=O)N DSG [0,2,0,0,0,0|0,0,1]=3 329 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DAS [0,2,0,0,0,0|1,0,1]=4 330 B8R0.23 C([C@H](C(=O)O)N)C(=O)O DSP [0,2,0,0,0,0|1,0,1]=4 331 B8R0.23 C([C@H](C(=O)O)O)C(=O)O DMR [0,2,0,0,0,0|1,0,1]=4 332 B8R0.23 C([C@H](C(=O)O)O)C(=O)O MLT [0,2,0,0,0,0|1,0,1]=4 333 B8R0.23 C=C(C[C@@H](C(=O)O)N)Br A8E [0,2,0,0,0,0|1,0,1]=4 334 B8R0.23 CC(=O)[C@H](CC(=O)O)N ASK [0,2,0,0,0,0|1,0,1]=4 335 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,2,0,0,0,0|1,0,1]=4 336 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,2,0,0,0,0|1,0,0]=3 337 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,2,0,0,0,0|2,0,0]=4 338 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,2,0,0,0,0|2,0,0]=4 339 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,2,0,0,0,0|2,0,0]=4 340 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,2,0,0,0,0|1,0,0]=3 341 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,2,0,0,0,0|1,0,0]=3 342 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,2,0,0,0,0|1,0,0]=3 343 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,2,0,0,0,0|1,0,0]=3 344 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,2,0,0,0,0|1,0,0]=3 345 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,2,0,0,0,0|1,0,0]=3 346 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,2,0,0,0,0|1,0,1]=4 347 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,2,0,0,0,0|1,0,1]=4 348 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,2,0,0,0,0|1,0,0]=3 349 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,2,0,0,0,0|1,0,0]=3 350 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,2,0,0,0,0|1,0,0]=3 351 B8R0.23 CC(CC(=O)O)C(=O)O JO3 [0,2,0,0,0,0|1,0,1]=4 352 B8R0.23 CN(CC(=O)O)C(=N)N CRN [0,2,0,0,0,0|1,0,1]=4 353 B8R0.23 CN(CC(=O)O)C(=O)N CMS [0,2,0,0,0,0|1,0,1]=4 354 B8R0.23 CN(CC(=O)O)C(N)N IOM [0,2,0,0,0,0|1,0,0]=3 355 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SUH [0,2,0,0,0,0|1,0,1]=4 356 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,2,0,0,0,0|1,0,0]=3 357 B8R0.23 C[C@H](C(=O)O)NC(=O)N NCB [0,2,0,0,0,0|1,0,1]=4 358 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,2,0,0,0,0|1,0,0]=3 359 B8R0.23 N=C(\C[C@@H](C(=O)O)N)/O 41Q [0,2,0,0,0,0|0,0,2]=4 360 B8R0.23 [C@H](C(=O)O)(N)NC(=O)N UGY [0,2,0,0,0,0|1,0,1]=4 361 B8R0.23 [C@H](C(=O)O)(NC(=O)N)O UGC [0,2,0,0,0,0|1,0,1]=4 362 B8R0.6 C(CCN)CC(=O)NO 5XA [0,2,0,0,0,0|0,0,0]=2 363 B8R0.6 C(CCN)C[C@@H](CO)N LYJ [0,2,0,0,0,0|1,0,1]=4 364 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH-] LYS_LL_DHZ3 [0,2,0,0,0,0|1,0,1]=4 365 B8R0.6 C(CCN)C[C@@H]([C-]=O)[NH3+] LYS_LSN3_DHZ3 [0,2,0,0,0,0|1,0,1]=4 366 B8R0.6 C(C[NH3+])CN\C(=N\O)\N AHI [0,2,0,0,0,0|1,0,1]=4 367 B8R0.6 CCCCNC(=N)NO BHH [0,2,0,0,0,0|2,0,0]=4 368 B8R0.8 C#CCC[C@@H](C(=O)O)N IZO [0,2,0,0,0,0|1,0,0]=3 369 B8R0.8 C(CC(=O)C(=O)O)C=O DO4 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.8 C(CON)[C@@H](C(=O)O)N CAN [0,2,0,0,0,0|0,0,0]=2 371 B8R0.8 C(C[C@@H](C(=O)O)N)CN ORN [0,2,0,0,0,0|0,0,0]=2 372 B8R0.8 C(C[C@@H](C(=O)O)N)CO AA4 [0,2,0,0,0,0|1,0,0]=3 373 B8R0.8 C(C[C@@H](C(=O)O)N)CO DHN [0,2,0,0,0,0|1,0,0]=3 374 B8R0.8 C(C[C@@H](C(=O)O)[NH3+])C=O ILG [0,2,0,0,0,0|1,0,0]=3 375 B8R0.8 C(C[C@H](C(=O)O)N)CN ORD [0,2,0,0,0,0|0,0,0]=2 376 B8R0.8 C([C@@H](C(=O)O)N)NC=O 0RJ [0,2,0,0,0,0|1,0,1]=4 377 B8R0.8 C([C@@H](C(=O)O)N)SC#N XCN [0,2,0,0,0,0|0,0,2]=4 378 B8R0.8 C([C@@H](C(=O)O)N)SCO M0H [0,2,0,0,0,0|1,0,0]=3 379 B8R0.8 C([C@@H](C(=O)O)N)SN=O SNC [0,2,0,0,0,0|1,0,1]=4 380 B8R0.8 C([C@@H](C(=O)O)N)SOO 2CO [0,2,0,0,0,0|2,0,0]=4 381 B8R0.8 C([C@@H](C(=O)O)N)SSS TSY [0,2,0,0,0,0|2,0,0]=4 382 B8R0.8 C([C@@H](C(=O)O)N)S[As]O CZZ [0,2,0,0,0,0|1,1,0]=4 383 B8R0.8 CCCC[C@@H](C(=O)N)N NLN [0,2,0,0,0,0|2,0,0]=4 384 B8R0.8 CCCC[C@@H](C(=O)O)N NLE [0,2,0,0,0,0|1,0,0]=3 385 B8R0.8 CCCC[C@H](C(=O)N)O HYH [0,2,0,0,0,0|1,0,1]=4 386 B8R0.8 CCCC[C@H](C(=O)O)N DNE [0,2,0,0,0,0|1,0,0]=3 387 B8R0.8 CCSC[C@@H](C(=O)O)N ECX [0,2,0,0,0,0|1,0,0]=3 388 B8R0.8 CSCCC(=O)C(=O)O KMT [0,2,0,0,0,0|1,0,1]=4 389 B8R0.8 CSCC[C@@H](C(=O)O)N MET [0,2,0,0,0,0|1,0,0]=3 390 B8R0.8 CSCC[C@@H](C(=O)O)N MET_LFOH [0,2,0,0,0,0|1,0,0]=3 391 B8R0.8 CSCC[C@@H](C(=O)O)[NH-] MET_LEO2H [0,2,0,0,0,0|1,0,0]=3 392 B8R0.8 CSCC[C@@H](C(=O)[O-])[NH-] MET_LEO2 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.8 CSCC[C@@H](C(=O)[O-])[NH3+] MET_LFZW [0,2,0,0,0,0|1,0,1]=4 394 B8R0.8 CSCC[C@H](C(=O)O)N MED [0,2,0,0,0,0|1,0,0]=3 395 B8R0.8 CSCC[C@H](N)[P@H](=O)O MPJ [0,2,0,0,0,0|2,0,0]=4 396 B8R0.8 CSSC[C@@H](C(=O)O)N SCH [0,2,0,0,0,0|2,0,0]=4 397 B8R0.8 C[Hg]SC[C@@H](C(=O)O)N CMH [0,2,0,0,0,0|2,0,0]=4 398 B8R0.8 C[Se]CC[C@@H](C(=O)O)N MSE [0,2,0,0,0,0|1,0,0]=3 399 B8R0.8 C[Se]SC[C@@H](C(=O)O)N CSK [0,2,0,0,0,0|2,0,0]=4 400 B8R0.8 N=C(/CCSC)\C(=O)O 0XD [0,2,0,0,0,0|1,0,1]=4 401 B8R0.9 C(CC(=O)N)[C@@H](CO)N ECC [0,2,0,0,0,0|1,0,0]=3 402 B8R0.9 C(CC(=O)N)[C@@H]([C-]=O)[NH-] GLN_LL [0,2,0,0,0,0|1,0,1]=4 403 B8R0.9 C(CC(=O)N)[C@@H]([C-]=O)[NH3+] GLN_LSN3 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.9 C(CC(=O)O)C(=O)C=O HKV [0,2,0,0,0,0|1,0,1]=4 405 B8R0.9 C(CC(=O)O)C(=O)CCl TQ9 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.9 C(CC(=O)O)C(=O)CF LAF [0,2,0,0,0,0|1,0,0]=3 407 B8R0.9 C(CC(=O)O)C(C=O)N GLQ [0,2,0,0,0,0|0,0,0]=2 408 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,2,0,0,0,0|0,0,0]=2 409 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,2,0,0,0,0|0,0,0]=2 410 B8R0.9 C(CC(=O)O)[C@@H]([C-]=O)[NH-] GLU_LL [0,2,0,0,0,0|0,0,1]=3 411 B8R0.9 C(CC(=O)O)[C@@H]([C-]=O)[NH3+] GLU_LSN3 [0,2,0,0,0,0|0,0,1]=3 412 B8R0.9 C(CC(=O)[O-])[C@@H]([C-]=O)[NH-] GLU_LL_DHE2 [0,2,0,0,0,0|0,0,2]=4 413 B8R0.9 C(CC(=O)[O-])[C@@H]([C-]=O)[NH3+] GLU_LSN3_DHE2 [0,2,0,0,0,0|0,0,2]=4 414 B8R0.9 C/C=C(\CCC(=O)O)/N GEG [0,2,0,0,0,0|0,0,1]=3 415 B8R0.9 CC(=O)NC[C@@H](CO)N 1HD [0,2,0,0,0,0|2,0,0]=4 416 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [0,2,0,0,0,0|2,0,0]=4 417 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,2,0,0,0,0|0,0,0]=2 418 B8R0.9 COC(=O)CCC(=O)O MSU [0,2,0,0,0,0|1,0,1]=4 419 B8R0.9 COC(CCC(=O)O)O HMB [0,2,0,0,0,0|1,0,0]=3 420 B8R0.9 N=C/[C@H](CCC(=O)N)N 0JU [0,2,0,0,0,0|1,0,0]=3 421 B8R0.7 C(CCC(=O)O)CCN ACA [0,2,0,0,0,0|0,0,0]=2 422 B8R0.7 C(CCC(=O)O)CCN AHA [0,2,0,0,0,0|0,0,0]=2 423 B8R0.7 C(CCNC(=N)N)CN AG2 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.7 C(CCNC(O)O)CN N2H [0,2,0,0,0,0|0,0,2]=4 425 B8R0.7 C(CNCC(=O)O)C=O CL5 [0,2,0,0,0,0|1,0,0]=3 426 B8R0.7 CCCCCCC(=O)N HPN [0,2,0,0,0,0|2,0,0]=4 427 B8R0.7 CCCCCCC(=O)O SHV [0,2,0,0,0,0|1,0,0]=3 428 B8R0.21 C(CO)COP(=O)(O)O PDI [0,2,0,0,0,0|2,0,0]=4 429 B8R0.21 CCCCO[P@@](=O)(C)O CVX [0,2,0,0,0,0|2,0,0]=4 430 B8R0.21 CNCCOP(=O)(O)O 1SH [0,2,0,0,0,0|2,0,0]=4 431 B8R0.28 C(C(=O)O)OCC(=O)O OEG [0,2,0,0,0,0|1,0,1]=4 432 B8R0.28 C(C(=O)O)SCC(=O)O 9X6 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.28 C(CC(=O)O)CC(=O)O GUA [0,2,0,0,0,0|1,0,0]=3 434 B8R0.28 C(CC(=O)O)C[N+](=O)[O-] 4NI [0,2,0,0,0,0|0,0,1]=3 435 B8R0.28 C(CNC(=O)N)C(=O)O URP [0,2,0,0,0,0|0,0,1]=3 436 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,2,0,0,0,0|1,0,0]=3 437 B8R0.28 CC(C)CNCC(=O)O I4G [0,2,0,0,0,0|1,0,0]=3 438 B8R0.15 CN[C@@H](CSC)C(=O)O N2C [0,2,0,0,0,0|2,0,0]=4 439 B8R0.29 C(CP(=O)(O)O)C(=O)O 3PP [0,2,0,0,0,0|2,0,0]=4 440 B8R0.29 C(CS(=O)(=O)O)C(=O)O X1S [0,2,0,0,0,0|2,0,0]=4 441 B8R0.29 CC(C)CCP(=O)(O)O IPI [0,2,0,0,0,0|2,0,0]=4 442 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,1,0,0|1,0,0]=3 443 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,1,0,0|0,0,0]=2 444 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,1,0,0|1,0,0]=3 445 B6R1.2 C1CCC(C1)O YEG [1,0,0,1,0,0|1,0,1]=4 446 B6R1.2 C1CNC[C@H]1O 6SP [1,0,0,1,0,0|1,0,1]=4 447 B6R1.1 C1CCNCC1 PIP [1,0,0,1,0,0|1,0,1]=4 448 B6R1.1 C1CCOCC1 PYE [1,0,0,1,0,0|1,0,1]=4 449 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,1,0,1,0,0|2,0,0]=4 450 B8R1.3 C1CC(CCC1N)O SZ3 [0,1,0,1,0,0|1,0,1]=4 451 B8R1.5 C1CCC(=O)C(=O)C1 CXO [0,1,0,1,0,0|1,0,1]=4 452 B8R1.5 C1CNC[C@H]([C@@H]1O)O XIF [0,1,0,1,0,0|1,0,1]=4 453 B8R1.5 C1C[C@@H](C(=O)NC1)O XDL [0,1,0,1,0,0|0,0,1]=3 454 B8R1.22 C1CCC(=O)NCC1 ICC [0,1,0,1,0,0|2,0,0]=4 455 B8R1.22 C1CCC(=O)OCC1 ECE [0,1,0,1,0,0|1,0,0]=3 456 B8R1.7 C1CC(=[NH+]C1)C(=O)[O-] 2PC [0,1,0,1,0,0|0,0,2]=4 457 B8R1.7 C1CCC(C1)C(=O)O IQ0 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.7 C1C[C@@H](NC1)C(=O)N PR9 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.7 C1C[C@@H](NC1)C(=O)O DPR [0,1,0,1,0,0|0,0,0]=2 460 B8R1.7 C1C[C@H](C=C1)C(=O)O C54 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.7 C1C[C@H](NC1)C(=O)N LPD [0,1,0,1,0,0|1,0,0]=3 462 B8R1.7 C1C[C@H](NC1)C(=O)O PRO [0,1,0,1,0,0|0,0,0]=2 463 B8R1.7 C1C[C@H](NC1)C(=O)O PRO_LFOH [0,1,0,1,0,0|0,0,0]=2 464 B8R1.7 C1C[C@H](NC1)[C@H](N)O V8W [0,1,0,1,0,0|1,0,1]=4 465 B8R1.7 C1C[C@H](OC1)C(=O)O TFB [0,1,0,1,0,0|1,0,0]=3 466 B8R1.7 C1C[C@H]([N-]C1)C(=O)O PRO_LEO2H [0,1,0,1,0,0|0,0,1]=3 467 B8R1.7 C1C[C@H]([N-]C1)C(=O)[O-] PRO_LEO2 [0,1,0,1,0,0|0,0,2]=4 468 B8R1.7 C1C[C@H]([NH2+]C1)C(=O)[O-] PRO_LFZW [0,1,0,1,0,0|0,0,2]=4 469 B8R1.7 C1[C@H](NCS1)C(=O)O PRS [0,1,0,1,0,0|0,0,0]=2 470 B8R1.7 N=C(\[C@@H]1CCCN1)/O 04V [0,1,0,1,0,0|1,0,0]=3 471 B8R1.78 C1CC(C1)(C(=O)O)N 192 [0,1,0,1,0,0|1,0,0]=3