0 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 C([C@H](CSO)O)O SGL [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCC(=O)OCC CA1 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCC[C@@H](CO)O 1SP [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCS[C@H](C)SC 0AJ [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 C\C(=C\CO)\CO 6OM [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 C(CO)C(=O)O 3OH [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 C=C(CCO)Br 3BB [1,0,0,0,0,0|1,0,2]=4 8 B5R0.1 CC(=O)CCO BUQ [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 CC(C)CCN LEN [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 CC(C)CCO IP3 [1,0,0,0,0,0|0,0,0]=1 11 B5R0.1 CCCC(=O)C PNH [1,0,0,0,0,0|2,0,1]=4 12 B5R0.1 C[C@@H](CCO)O BU2 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 C[C@H](CC=O)O 5KO [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 C[C@H](CCO)O BU4 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.2 C(CCN)CN PUT [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 C(CCO)CO BU1 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.2 C(CCO)C[NH3+] 4HA [1,0,0,0,0,0|1,0,0]=2 18 B5R0.2 C(CN)CON XAP [1,0,0,0,0,0|3,0,0]=4 19 B5R0.2 C(CO)N=[N+]=[N-] AE9 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.2 CCC/C=N\O BXO [1,0,0,0,0,0|1,0,1]=3 21 B5R0.2 CCCCC=O PTL [1,0,0,0,0,0|0,0,2]=3 22 B5R0.2 CCCCCBr 5BR [1,0,0,0,0,0|1,0,0]=2 23 B5R0.2 CCCCCC HEX [1,0,0,0,0,0|1,0,0]=2 24 B5R0.2 CCCCCCl 7CL [1,0,0,0,0,0|1,0,0]=2 25 B5R0.2 CCCCCN AML [1,0,0,0,0,0|1,0,0]=2 26 B5R0.2 CCCCCO PE9 [1,0,0,0,0,0|0,0,0]=1 27 B5R0.2 CCCC[N+]#[C-] NBN [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 CCOCCO ETX [1,0,0,0,0,0|1,0,0]=2 29 B5R0.2 CNCCCN N3D [1,0,0,0,0,0|2,0,0]=3 30 B5R0.2 COCCOC DXE [1,0,0,0,0,0|3,0,0]=4 31 B5R0.3 C(C(=O)CO)O 2HA [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 C(C(C=O)O)O GXV [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 C(C(CCl)Cl)Cl 3KP [1,0,0,0,0,0|3,0,0]=4 34 B5R0.3 C(C(CO)N)O SEL [1,0,0,0,0,0|2,0,0]=3 35 B5R0.3 C(C(CO)O)O CRY [1,0,0,0,0,0|2,0,0]=3 36 B5R0.3 C(C(CO)O)O GOL [1,0,0,0,0,0|2,0,0]=3 37 B5R0.3 C([C@@H](CCl)Cl)O D2P [1,0,0,0,0,0|2,0,0]=3 38 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 C([C@H](C=O)O)O 3GR [1,0,0,0,0,0|2,0,1]=4 41 B5R0.3 C([C@H](CS)O)O SGM [1,0,0,0,0,0|2,0,0]=3 42 B5R0.3 CCC(CC)N D0M [1,0,0,0,0,0|1,0,0]=2 43 B5R0.3 CC[C@H](C)CN DCI [1,0,0,0,0,0|1,0,0]=2 44 B5R0.3 CC[C@H](C)CN MBA [1,0,0,0,0,0|1,0,0]=2 45 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,1,0,0,0,0|2,0,1]=4 46 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,1,0,0,0,0|2,0,1]=4 47 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,1,0,0,0,0|2,0,1]=4 48 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,1,0,0,0,0|3,0,0]=4 49 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,1,0,0,0,0|2,0,0]=3 50 B7R0.3 C=CCC[C@@H](CO)O 217 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.3 CCCC[C@@H](CO)N 2AO [0,1,0,0,0,0|3,0,0]=4 52 B7R0.3 CCCC[C@@H](CO)O 0RE [0,1,0,0,0,0|3,0,0]=4 53 B7R0.3 CCCC[C@H](CO)O 7FB [0,1,0,0,0,0|3,0,0]=4 54 B7R0.5 C(CO)[C@@H](C(=O)O)N HSE [0,1,0,0,0,0|2,0,1]=4 55 B7R0.7 CC(CCO)CCO 40S [0,1,0,0,0,0|0,0,0]=1 56 B7R0.10 C([C@@H](C(=O)CO)O)O LER [0,1,0,0,0,0|2,0,1]=4 57 B7R0.10 C([C@@H]([C@H](CO)O)O)O DTL [0,1,0,0,0,0|2,0,0]=3 58 B7R0.10 C([C@@H]([C@H](CS)O)O)S DTT [0,1,0,0,0,0|2,1,0]=4 59 B7R0.10 C([C@H]([C@@H](CO)O)O)O 3VB [0,1,0,0,0,0|2,0,0]=3 60 B7R0.10 C([C@H]([C@@H](CS)O)O)S DTV [0,1,0,0,0,0|2,1,0]=4 61 B7R0.10 C([C@H]([C@H](CO)O)O)O MRY [0,1,0,0,0,0|2,0,0]=3 62 B7R0.10 C([C@H]([C@H](CS)O)O)S DTU [0,1,0,0,0,0|2,1,0]=4 63 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL [0,1,0,0,0,0|0,0,2]=3 64 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 [0,1,0,0,0,0|0,0,2]=3 65 B7R0.10 COC(=O)[C@H](CO)N 5R5 [0,1,0,0,0,0|2,0,1]=4 66 B7R1.1 C1C[C@H](NC1)CN P2Y [0,0,0,1,0,0|3,0,0]=4 67 B7R1.3 C1CCC(=O)CC1 CYH [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 C1CCC(CC1)O CXL [0,0,0,1,0,0|2,0,0]=3 69 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,0,0,1,0,0|2,0,0]=3 70 B7R1.3 C1C[C@H](CN=C1)N XBB [0,0,0,1,0,0|3,0,0]=4 71 B7R1.4 C1COC(=O)[C@H]1N HSL [0,0,0,1,0,0|2,0,1]=4 72 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,0,0,1,0,0|3,0,0]=4 73 B7R1.4 CN1CCOC1=O 3MO [0,0,0,1,0,0|2,0,1]=4 74 B4R0.1 B(CC)(O)O 3QD [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 CC(=O)CO 4Y8 [2,0,0,0,0,0|1,0,1]=4 76 B4R0.1 CC(C)C=O 5OZ [2,0,0,0,0,0|0,0,2]=4 77 B4R0.1 CC(C)CN IBN [2,0,0,0,0,0|1,0,0]=3 78 B4R0.1 CC=C(C)C 2MB [2,0,0,0,0,0|0,0,2]=4 79 B4R0.1 CCC(=O)O PPI [2,0,0,0,0,0|1,0,1]=4 80 B4R0.1 CC[C@H](C)O SBT [2,0,0,0,0,0|0,0,0]=2 81 B4R0.1 CN(C)[Zn]O DOZ [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 C[C@@H](CBr)O EBH [2,0,0,0,0,0|1,0,0]=3 83 B4R0.1 C[C@@H](CCl)Cl CP2 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 C[C@@H](CO)N 2A1 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 C[C@@H](CO)O PGO [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 C[C@@H](CO)O PGQ [2,0,0,0,0,0|1,0,0]=3 87 B4R0.1 C[C@H](CBr)O 1BP [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 C[C@H](CO)N 2A3 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.1 C[C@H](CO)O HP3 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 C[C@H](CO)O PGR [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 C[C@H](C[NH3+])O FOP [2,0,0,0,0,0|1,0,0]=3 92 B4R0.2 C(CCl)CCl 0CL [2,0,0,0,0,0|2,0,0]=4 93 B4R0.2 C(CN)CBr 4LJ [2,0,0,0,0,0|2,0,0]=4 94 B4R0.2 C(CN)CN 13D [2,0,0,0,0,0|2,0,0]=4 95 B4R0.2 C(CN)CO 0D8 [2,0,0,0,0,0|1,0,0]=3 96 B4R0.2 C(CO)CCl 3CL [2,0,0,0,0,0|1,0,0]=3 97 B4R0.2 C(CO)CO HPG [2,0,0,0,0,0|1,0,0]=3 98 B4R0.2 C(CO)CO PDO [2,0,0,0,0,0|1,0,0]=3 99 B4R0.2 C(CS)CS PDT [2,0,0,0,0,0|1,1,0]=4 100 B4R0.2 C(O)OCO 21H [2,0,0,0,0,0|2,0,0]=4 101 B4R0.2 CC/C=N\O PXO [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 CCCCBr BBU [2,0,0,0,0,0|1,0,0]=3 103 B4R0.2 CCCCC LNK [2,0,0,0,0,0|0,0,0]=2 104 B4R0.2 CCCCN LYT [2,0,0,0,0,0|1,0,0]=3 105 B4R0.2 CCCCO 1BO [2,0,0,0,0,0|0,0,0]=2 106 B4R0.2 CCC[N+]#[C-] NPN [2,0,0,0,0,0|1,0,1]=4 107 B4R0.2 CCOCC ETZ [2,0,0,0,0,0|1,0,0]=3 108 B4R0.2 CCOC[O-] EOM [2,0,0,0,0,0|1,0,1]=4 109 B4R0.2 COCCO MXE [2,0,0,0,0,0|1,0,0]=3 110 B4R0.2 COCC[O-] MOE [2,0,0,0,0,0|1,0,1]=4 111 B6R0.2 CC(C)CC(=O)O IVA [1,1,0,0,0,0|0,0,1]=3 112 B6R0.2 CC(C)C[C@@H](C)N 2LU [1,1,0,0,0,0|1,0,0]=3 113 B6R0.2 CN(C)CC(=O)O DMG [1,1,0,0,0,0|1,0,1]=4 114 B6R0.2 CS(C)CC(=O)O 313 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,1,0,0,0,0|1,0,1]=4 116 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,1,0,0,0,0|1,0,1]=4 117 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,1,0,0,0,0|1,0,1]=4 118 B6R0.3 C([C@H](C(O)O)O)O 03W [1,1,0,0,0,0|2,0,0]=4 119 B6R0.3 CC(=O)[C@H](CO)O DE2 [1,1,0,0,0,0|1,0,1]=4 120 B6R0.3 CC(C)[C@@H](CO)N VOL [1,1,0,0,0,0|0,0,0]=2 121 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [1,1,0,0,0,0|0,0,2]=4 122 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [1,1,0,0,0,0|0,0,2]=4 123 B6R0.3 C[C@H]([C@@H](CO)N)O THO [1,1,0,0,0,0|1,0,0]=3 124 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [1,1,0,0,0,0|1,1,0]=4 125 B6R0.4 CC(C)CCC=O MOP [1,1,0,0,0,0|0,0,1]=3 126 B6R0.4 CN(C)CCCN DIB [1,1,0,0,0,0|2,0,0]=4 127 B6R0.5 CC(C)(C)CCN 2G3 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.5 CC(C)(C)CCO 33D [1,1,0,0,0,0|0,0,0]=2 129 B6R0.5 C[As](C)(C)CCO 1Y8 [1,1,0,0,0,0|1,0,0]=3 130 B6R0.5 C[N+](C)(C)CCO CHT [1,1,0,0,0,0|1,0,0]=3 131 B6R0.5 C[N+](C)(C)CCS ETM [1,1,0,0,0,0|1,1,0]=4 132 B6R0.6 C(CCN)CCN N2P [1,1,0,0,0,0|1,0,0]=3 133 B6R0.6 C(CCNN)CN 01H [1,1,0,0,0,0|2,0,0]=4 134 B6R0.6 C(CCO)CC=O GAQ [1,1,0,0,0,0|0,0,1]=3 135 B6R0.6 C(COCC=O)O 1KA [1,1,0,0,0,0|1,0,1]=4 136 B6R0.6 C(COCCO)O PEG [1,1,0,0,0,0|1,0,0]=3 137 B6R0.6 CCCCCCC HP6 [1,1,0,0,0,0|1,0,0]=3 138 B6R0.6 CCCCCCO HE2 [1,1,0,0,0,0|0,0,0]=2 139 B6R0.6 CCCCNC=O YIV [1,1,0,0,0,0|0,0,2]=4 140 B6R0.6 CCCSCCO 266 [1,1,0,0,0,0|0,0,0]=2 141 B6R0.8 CC[Pb](CC)(Br)Br ZN7 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.8 CC[Sn](CC)(Cl)Cl ZN6 [1,1,0,0,0,0|2,0,0]=4 143 B6R0.9 CCP(CC)CC 3EP [1,1,0,0,0,0|1,0,0]=3 144 B6R0.9 CC[NH+](CC)CC TEA [1,1,0,0,0,0|1,0,0]=3 145 B8R0.2 B([C@H]([C@H](C)CC)N)(O)O B2I [0,2,0,0,0,0|1,0,0]=3 146 B8R0.2 CC([C@H](C(=O)O)N)OC XDT [0,2,0,0,0,0|1,0,1]=4 147 B8R0.2 CC([C@H](C(=O)O)N)SC 1ME [0,2,0,0,0,0|1,0,1]=4 148 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N IIL [0,2,0,0,0,0|0,0,1]=3 149 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N DIL [0,2,0,0,0,0|0,0,1]=3 150 B8R0.2 CC[C@H](C)C(=O)C(=O)O 1QQ [0,2,0,0,0,0|0,0,2]=4 151 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE [0,2,0,0,0,0|0,0,1]=3 152 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N ILE_LFOH [0,2,0,0,0,0|0,0,1]=3 153 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)O OIL [0,2,0,0,0,0|0,0,1]=3 154 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)[NH-] ILE_LEO2H [0,2,0,0,0,0|0,0,1]=3 155 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH-] ILE_LEO2 [0,2,0,0,0,0|0,0,2]=4 156 B8R0.2 CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE_LFZW [0,2,0,0,0,0|0,0,2]=4 157 B8R0.2 CC[C@H](C)[C@@H](C(O)O)N IL0 [0,2,0,0,0,0|0,0,0]=2 158 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N 28J [0,2,0,0,0,0|0,0,1]=3 159 B8R0.2 CC[C@H]([C@@H](C(=O)O)N)O VAH [0,2,0,0,0,0|1,0,1]=4 160 B8R0.2 C[C@H]([C@@H](C(=O)O)N)OC OLT [0,2,0,0,0,0|1,0,1]=4 161 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,2,0,0,0,0|1,0,1]=4 162 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,2,0,0,0,0|1,0,1]=4 163 B8R0.34 C[C@@H](C[C@@](C)(CO)O)O MQD [0,2,0,0,0,0|1,0,0]=3 164 B8R0.3 C([C@H]([C@@H](CSO)O)O)S DTO [0,2,0,0,0,0|2,0,0]=4 165 B8R0.9 C(CC(=O)O)[C@@H](CN)N HOZ [0,2,0,0,0,0|2,0,0]=4 166 B8R0.9 C(CC(=O)O)[C@@H](CO)N GAU [0,2,0,0,0,0|2,0,0]=4 167 B8R0.9 CC[C@H](CCC(=O)O)N VIG [0,2,0,0,0,0|1,0,0]=3 168 B8R0.9 COC(CCC(=O)O)O HMB [0,2,0,0,0,0|2,0,0]=4 169 B8R0.11 CCCC[C@H](CC)CO 2EH [0,2,0,0,0,0|1,0,0]=3 170 B6R1.2 C1CCC(C1)N 1CB [1,0,0,1,0,0|2,0,0]=4 171 B6R1.2 C1CCC(C1)O YEG [1,0,0,1,0,0|2,0,0]=4 172 B6R1.2 C1CNC[C@@H]1N 04S [1,0,0,1,0,0|2,0,0]=4 173 B6R1.2 C1CNC[C@H]1O 6SP [1,0,0,1,0,0|2,0,0]=4 174 B6R1.3 COCC1CC1 09U [1,0,0,1,0,0|2,0,0]=4 175 B6R1.1 C1CCCCC1 CHX [1,0,0,1,0,0|1,0,0]=3 176 B6R1.1 C1CCNCC1 PIP [1,0,0,1,0,0|1,0,0]=3 177 B6R1.1 C1CCOCC1 PYE [1,0,0,1,0,0|0,0,0]=2 178 B6R1.1 C1CNCCN1 PZE [1,0,0,1,0,0|2,0,0]=4 179 B6R1.1 C1COCCN1 6LR [1,0,0,1,0,0|1,0,0]=3 180 B6R1.1 C1COCCO1 DIO [1,0,0,1,0,0|1,0,0]=3 181 B6R1.1 C1COCCO1 DOX [1,0,0,1,0,0|1,0,0]=3 182 B8R1.1 C1[C@H](CO[C@@H]1CO)O PA3 [0,1,0,1,0,0|1,0,0]=3 183 B8R1.18 CC1[C@H](O[C@@H](N1)C)C 285 [0,1,0,1,0,0|1,0,0]=3 184 B8R1.2 C1CCC(CC1)C[NH3+] AMC [0,1,0,1,0,0|1,0,0]=3 185 B8R1.2 CCC1CCNCC1 EPI [0,1,0,1,0,0|1,0,0]=3 186 B8R1.2 CCN1CCOCC1 6LB [0,1,0,1,0,0|1,0,0]=3 187 B8R1.2 CC[C@H]1CCCCN1 2EP [0,1,0,1,0,0|1,0,0]=3 188 B8R1.2 [C-]#[N+]C1CCCCC1 CYI [0,1,0,1,0,0|1,0,1]=4 189 B8R1.3 C1CC(CCC1N)O SZ3 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.3 C1CC(CCC1O)O 71J [0,1,0,1,0,0|1,0,0]=3 191 B8R1.3 CC1CCC(CC1)N 2MH [0,1,0,1,0,0|1,0,0]=3 192 B8R1.3 CC1CCC(CC1)N 4JU [0,1,0,1,0,0|1,0,0]=3 193 B8R1.5 C1CC[C@@H]([C@H](C1)O)O 3ZQ [0,1,0,1,0,0|2,0,0]=4 194 B8R1.5 C1CC[C@H]([C@@H](C1)N)N DNH [0,1,0,1,0,0|2,0,0]=4 195 B8R1.5 C1CC[C@H]([C@@H](C1)O)O 40O [0,1,0,1,0,0|2,0,0]=4 196 B8R1.5 C1CNC[C@H]([C@@H]1O)O XIF [0,1,0,1,0,0|2,0,0]=4 197 B8R1.5 C[C@H]1CCCC[C@@H]1O 4DX [0,1,0,1,0,0|1,0,0]=3 198 B8R1.22 C1CCCC(CC1)N SZ1 [0,1,0,1,0,0|2,0,0]=4