0 B5R0.1 CC(=O)CCO BUQ [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 CC(C)CCN LEN [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 CC(C)CCO IP3 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.1 CCCC(=O)C PNH [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CSC[S@@](=O)C DSS [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C[C@@H](CCO)O BU2 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 C[C@H](CC=O)O 5KO [0,0,0,0,0,0|1,0,0]=1 7 B5R0.1 C[C@H](CCO)O BU4 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 C(=O)C(=O)O GLV [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(=C)C=C 61G [1,0,0,0,0,0|0,0,3]=4 10 B4R0.1 CC(=C)CN IRS [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 CC(=O)C=O PVL [1,0,0,0,0,0|1,0,1]=3 12 B4R0.1 CC(=O)CCl ATO [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(=O)CN GCM [1,0,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(=O)CN GLM [1,0,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(=O)CO 4Y8 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.1 CC(C)C=O 5OZ [1,0,0,0,0,0|0,0,0]=1 17 B4R0.1 CC(C)CN IBN [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 CC=C(C)C 2MB [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 CC[C@H](C)O SBT [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 CN(C)C=O DMF [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 CN(C)[Zn]O DOZ [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@@H](C=O)N 5XU [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 C[C@@H](CBr)O EBH [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C[C@@H](CCl)Cl CP2 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 C[C@@H](CO)N 2A1 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 C[C@@H](CO)O PGO [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 C[C@@H](CO)O PGQ [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 C[C@@H]([C-]=O)[NH-] ALA_LL [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C[C@@H]([C-]=O)[NH3+] ALA_LSN3 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C[C@H](CBr)O 1BP [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 C[C@H](CO)N 2A3 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 C[C@H](CO)O HP3 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C[C@H](CO)O PGR [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 C[C@H](C[NH3+])O FOP [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 C(C=O)C=O MDD [1,0,0,0,0,0|1,0,1]=3 36 B4R0.2 C(CCl)CCl 0CL [1,0,0,0,0,0|2,0,1]=4 37 B4R0.2 C(CN)CBr 4LJ [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 C(CN)CN 13D [1,0,0,0,0,0|2,0,1]=4 39 B4R0.2 C(CN)CO 0D8 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.2 C(CO)CCl 3CL [1,0,0,0,0,0|1,0,2]=4 41 B4R0.2 C(CO)CO HPG [1,0,0,0,0,0|1,0,2]=4 42 B4R0.2 C(CO)CO PDO [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 C(CS)C=O MPR [1,0,0,0,0,0|1,0,0]=2 44 B4R0.2 C(CS)CS PDT [1,0,0,0,0,0|1,1,1]=4 45 B4R0.2 C/C=C/C=O CRD [1,0,0,0,0,0|0,0,2]=3 46 B4R0.2 CC/C=N\O PXO [1,0,0,0,0,0|1,0,2]=4 47 B4R0.2 CCCCBr BBU [1,0,0,0,0,0|1,0,1]=3 48 B4R0.2 CCCCC LNK [1,0,0,0,0,0|1,0,1]=3 49 B4R0.2 CCCCN LYT [1,0,0,0,0,0|1,0,1]=3 50 B4R0.2 CCCCO 1BO [1,0,0,0,0,0|0,0,2]=3 51 B4R0.2 CCC[N+]#[C-] NPN [1,0,0,0,0,0|2,0,0]=3 52 B4R0.2 CCOC=O ETO [1,0,0,0,0,0|1,0,0]=2 53 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 CCOC[O-] EOM [1,0,0,0,0,0|1,0,2]=4 55 B4R0.2 COCCO MXE [1,0,0,0,0,0|1,0,2]=4 56 B4R0.2 COCC[O-] MOE [1,0,0,0,0,0|1,0,2]=4 57 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,1,0,0,0,0|1,0,2]=4 58 B6R0.1 C([C@H](CSO)O)O SGL [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CCC[C@@H](CO)O 1SP [0,1,0,0,0,0|2,0,1]=4 60 B6R0.1 CCS[C@H](C)SC 0AJ [0,1,0,0,0,0|2,0,1]=4 61 B6R0.2 C(C(=O)N)C(=O)O MLM [0,1,0,0,0,0|2,0,1]=4 62 B6R0.2 C(C(=O)O)C(=O)Cl PR6 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.2 C(C(=O)O)C(=O)O MLA [0,1,0,0,0,0|2,0,1]=4 64 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [0,1,0,0,0,0|2,0,1]=4 65 B6R0.2 CC(=O)CC(=O)C P2D [0,1,0,0,0,0|1,0,1]=3 66 B6R0.2 CC(=O)CC(=O)O AAE [0,1,0,0,0,0|1,0,1]=3 67 B6R0.2 CC(=O)CC(=O)O LIN [0,1,0,0,0,0|1,0,1]=3 68 B6R0.2 CC(C)CC(=O)O IVA [0,1,0,0,0,0|0,0,0]=1 69 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,1,0,0,0,0|1,0,1]=3 70 B6R0.2 CC(C)SC(=N)N IPU [0,1,0,0,0,0|2,0,0]=3 71 B6R0.2 CN(C)CC(=O)O DMG [0,1,0,0,0,0|1,0,0]=2 72 B6R0.2 CS(C)CC(=O)O 313 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,1,0,0,0,0|1,0,0]=2 74 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,1,0,0,0,0|1,0,0]=2 75 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,1,0,0,0,0|1,0,0]=2 76 B6R0.3 CC(C)[C@@H](CO)N VOL [0,1,0,0,0,0|0,0,2]=3 77 B6R0.3 CC(C)[C@@H]([C-]=O)[NH-] VAL_LL [0,1,0,0,0,0|0,0,1]=2 78 B6R0.3 CC(C)[C@@H]([C-]=O)[NH3+] VAL_LSN3 [0,1,0,0,0,0|0,0,1]=2 79 B6R0.3 C[C@H]([C@@H](CO)N)O THO [0,1,0,0,0,0|1,0,2]=4 80 B6R0.3 C[C@H]([C@@H](CS)N)O B27 [0,1,0,0,0,0|1,1,1]=4 81 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])O THR_LL [0,1,0,0,0,0|1,0,1]=3 82 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH-])[O-] THR_LL_DHG1 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])O THR_LSN3 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 C[C@H]([C@@H]([C-]=O)[NH3+])[O-] THR_LSN3_DHG1 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.4 C(CC(=O)O)C=O SSN [0,1,0,0,0,0|2,0,1]=4 86 B6R0.4 CC(C)CCC=O MOP [0,1,0,0,0,0|0,0,0]=1 87 B6R0.4 CN(C)CCCN DIB [0,1,0,0,0,0|2,0,1]=4 88 B6R0.5 C(C=O)P(=O)(O)O POA [0,1,0,0,0,0|3,0,0]=4 89 B6R0.5 CC(C)(C)CCN 2G3 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.5 CC(C)(C)CCO 33D [0,1,0,0,0,0|0,0,2]=3 91 B6R0.5 CC(C)(C)OC=O TBF [0,1,0,0,0,0|1,0,0]=2 92 B6R0.5 C[As](C)(C)CCO 1Y8 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.5 C[N+](C)(C)CC=O BTL [0,1,0,0,0,0|1,0,0]=2 94 B6R0.5 C[N+](C)(C)CCO CHT [0,1,0,0,0,0|1,0,2]=4 95 B6R0.5 C[N+](C)(C)CCS ETM [0,1,0,0,0,0|1,1,1]=4 96 B6R1.2 C1CCC(C1)N 1CB [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 C1CCC(C1)O YEG [0,0,0,1,0,0|2,0,1]=4 98 B6R1.2 C1CNC[C@@H]1N 04S [0,0,0,1,0,0|2,0,1]=4 99 B6R1.2 C1CNC[C@H]1O 6SP [0,0,0,1,0,0|2,0,1]=4 100 B6R1.3 COCC1CC1 09U [0,0,0,1,0,0|2,0,0]=3 101 B3R0.1 C(=O)C=O GXT [2,0,0,0,0,0|1,0,1]=4 102 B3R0.1 C(C=O)N GLZ [2,0,0,0,0,0|1,0,0]=3 103 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|1,0,1]=4 104 B3R0.1 C(CCl)Cl DCE [2,0,0,0,0,0|2,0,0]=4 105 B3R0.1 C(CN)N EDN [2,0,0,0,0,0|2,0,0]=4 106 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|1,0,1]=4 107 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|1,0,1]=4 108 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|1,0,1]=4 109 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|1,1,0]=4 110 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|1,1,0]=4 111 B3R0.1 C(CS)O BME [2,0,0,0,0,0|1,0,1]=4 112 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|1,0,1]=4 113 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|1,1,0]=4 114 B3R0.1 C(N)[SH]=O OSM [2,0,0,0,0,0|2,0,0]=4 115 B3R0.1 C([C-]=O)[NH-] GLY_LL [2,0,0,0,0,0|1,0,1]=4 116 B3R0.1 C([C-]=O)[NH3+] GLY_LSN3 [2,0,0,0,0,0|1,0,1]=4 117 B3R0.1 C=CCN AYE [2,0,0,0,0,0|1,0,1]=4 118 B3R0.1 C=CCO 5VQ [2,0,0,0,0,0|1,0,1]=4 119 B3R0.1 CCC#N CNV [2,0,0,0,0,0|1,0,1]=4 120 B3R0.1 CCC=O CBG [2,0,0,0,0,0|0,0,0]=2 121 B3R0.1 CCC=O PNL [2,0,0,0,0,0|0,0,0]=2 122 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,0]=3 123 B3R0.1 CCCC BUT [2,0,0,0,0,0|0,0,1]=3 124 B3R0.1 CCCC NBU [2,0,0,0,0,0|0,0,1]=3 125 B3R0.1 CCCC SBU [2,0,0,0,0,0|0,0,1]=3 126 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,0]=3 127 B3R0.1 CCCO POL [2,0,0,0,0,0|0,0,1]=3 128 B3R0.1 CCCS XL3 [2,0,0,0,0,0|0,1,0]=3 129 B3R0.1 CCN=O NOE [2,0,0,0,0,0|1,0,0]=3 130 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,1]=4 131 B3R0.1 CCOC 2ME [2,0,0,0,0,0|1,0,1]=4 132 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|1,0,1]=4 133 B3R0.1 CNC=S MTF [2,0,0,0,0,0|1,1,0]=4 134 B3R0.1 C\C=C/N AKK [2,0,0,0,0,0|1,0,1]=4 135 B3R0.1 N=C\CN AEM [2,0,0,0,0,0|2,0,0]=4 136 B3R0.2 BN(C)C 7BZ [2,0,0,0,0,0|2,0,0]=4 137 B3R0.2 CC(=C)C MEB [2,0,0,0,0,0|0,0,1]=3 138 B3R0.2 CC(=O)C ACN [2,0,0,0,0,0|0,0,1]=3 139 B3R0.2 CC(=O)N ACM [2,0,0,0,0,0|1,0,1]=4 140 B3R0.2 CC(=O)N CNM [2,0,0,0,0,0|1,0,1]=4 141 B3R0.2 CC(=O)O ACY [2,0,0,0,0,0|1,0,1]=4 142 B3R0.2 CC(=O)O CBM [2,0,0,0,0,0|1,0,1]=4 143 B3R0.2 CC(=O)O CM [2,0,0,0,0,0|1,0,1]=4 144 B3R0.2 CC(=O)[O-] ACT [2,0,0,0,0,0|1,0,1]=4 145 B3R0.2 CC(C)O IOH [2,0,0,0,0,0|0,0,1]=3 146 B3R0.2 CC(C)O IPA [2,0,0,0,0,0|0,0,1]=3 147 B3R0.2 CN(C)C KEN [2,0,0,0,0,0|1,0,0]=3 148 B3R0.2 CS(=O)C DMS [2,0,0,0,0,0|1,0,0]=3 149 B3R0.2 C[P@H](=O)O MPS [2,0,0,0,0,0|2,0,0]=4 150 B3R0.2 C[P@H](=O)O SOM [2,0,0,0,0,0|2,0,0]=4 151 B3R0.2 C[P@H](=O)[O-] VXA [2,0,0,0,0,0|2,0,0]=4 152 B3R0.2 C[Pb+](C)C PBM [2,0,0,0,0,0|1,0,0]=3 153 B5R0.3 C(C(C=O)O)O GXV [1,1,0,0,0,0|1,0,0]=3 154 B5R0.3 C(C(CCl)Cl)Cl 3KP [1,1,0,0,0,0|2,0,0]=4 155 B5R0.3 C(C(CO)N)O SEL [1,1,0,0,0,0|1,0,1]=4 156 B5R0.3 C(C(CO)O)O CRY [1,1,0,0,0,0|1,0,1]=4 157 B5R0.3 C(C(CO)O)O GOL [1,1,0,0,0,0|1,0,1]=4 158 B5R0.3 C([C@@H](CCl)Cl)O D2P [1,1,0,0,0,0|1,0,1]=4 159 B5R0.3 C([C@@H]([C-]=O)[NH-])O SER_LL [1,1,0,0,0,0|1,0,1]=4 160 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [1,1,0,0,0,0|1,0,1]=4 161 B5R0.3 C([C@@H]([C-]=O)[NH-])[O-] SER_LL_DHG [1,1,0,0,0,0|1,0,1]=4 162 B5R0.3 C([C@@H]([C-]=O)[NH-])[S-] CYS_LL_DHG [1,1,0,0,0,0|1,0,1]=4 163 B5R0.3 C([C@@H]([C-]=O)[NH3+])O SER_LSN3 [1,1,0,0,0,0|1,0,1]=4 164 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.3 C([C@@H]([C-]=O)[NH3+])[O-] SER_LSN3_DHG [1,1,0,0,0,0|1,0,1]=4 166 B5R0.3 C([C@@H]([C-]=O)[NH3+])[S-] CYS_LSN3_DHG [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 C([C@H](C=O)O)O 3GR [1,1,0,0,0,0|1,0,0]=3 168 B5R0.3 C([C@H](CS)O)O SGM [1,1,0,0,0,0|1,0,1]=4 169 B5R0.3 CCC(CC)N D0M [1,1,0,0,0,0|1,0,1]=4 170 B5R0.3 CC[C@H](C)CN DCI [1,1,0,0,0,0|0,0,1]=3 171 B5R0.3 CC[C@H](C)CN MBA [1,1,0,0,0,0|0,0,1]=3 172 B5R0.4 C(=O)C(Cl)(Cl)Cl CLX [1,1,0,0,0,0|2,0,0]=4 173 B5R0.4 CC(C)(C#N)O CNH [1,1,0,0,0,0|1,0,1]=4 174 B5R0.4 CC(C)(C)C#N TAN [1,1,0,0,0,0|1,0,1]=4 175 B5R0.4 CC(C)(C)CN NPT [1,1,0,0,0,0|1,0,0]=3 176 B5R0.4 CC(C)(C)[N+]#[C-] TB0 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.4 CC(C)(CN)N 4G6 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.4 CC[Si](C)(C)C CEQ [1,1,0,0,0,0|0,1,1]=4 179 B5R0.5 C(C(=O)O)(Cl)Cl TF4 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.5 CC(=O)C(=O)N PYM [1,1,0,0,0,0|1,0,1]=4 181 B5R0.5 CC(=O)C(=O)O PYR [1,1,0,0,0,0|1,0,1]=4 182 B5R0.5 CC(=O)N(C)C 5Y9 [1,1,0,0,0,0|1,0,0]=3 183 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [1,1,0,0,0,0|1,0,1]=4 184 B5R0.5 CC(C)C(=O)N IBO [1,1,0,0,0,0|0,0,0]=2 185 B5R0.5 CC(C)C(=O)O ALQ [1,1,0,0,0,0|0,0,0]=2 186 B5R0.5 CC(C)C(=O)O ISB [1,1,0,0,0,0|0,0,0]=2 187 B5R0.5 CC(C)[C@@H](C)N CDE [1,1,0,0,0,0|0,0,1]=3 188 B5R0.5 CC(C)[N+](=O)[O-] NIS [1,1,0,0,0,0|1,0,0]=3 189 B5R0.5 C[C@@H](C(=O)C)N ALM [1,1,0,0,0,0|1,0,0]=3 190 B5R0.5 C[C@@H](C(=O)C)O HBS [1,1,0,0,0,0|1,0,0]=3 191 B5R0.5 C[C@@H](C(=O)N)N 66N [1,1,0,0,0,0|1,0,0]=3 192 B5R0.5 C[C@@H](C(=O)O)Cl CNR [1,1,0,0,0,0|1,0,0]=3 193 B5R0.5 C[C@@H](C(=O)O)N ALA [1,1,0,0,0,0|1,0,0]=3 194 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [1,1,0,0,0,0|1,0,0]=3 195 B5R0.5 C[C@@H](C(=O)O)O 2OP [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [1,1,0,0,0,0|1,0,0]=3 197 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [1,1,0,0,0,0|1,0,0]=3 198 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [1,1,0,0,0,0|1,0,0]=3 199 B5R0.5 C[C@@H](C(=S)O)N ALT [1,1,0,0,0,0|1,0,1]=4 200 B5R0.5 C[C@@H](C(O)O)N ALV [1,1,0,0,0,0|1,0,1]=4 201 B5R0.5 C[C@@H]([C@H](C)O)O BUD [1,1,0,0,0,0|1,0,1]=4 202 B5R0.5 C[C@H](C(=O)C)O HBR [1,1,0,0,0,0|1,0,0]=3 203 B5R0.5 C[C@H](C(=O)O)F 4LT [1,1,0,0,0,0|1,0,0]=3 204 B5R0.5 C[C@H](C(=O)O)N DAL [1,1,0,0,0,0|1,0,0]=3 205 B5R0.5 C[C@H](C(=O)O)O DLA [1,1,0,0,0,0|1,0,0]=3 206 B5R0.5 C[C@H](C(=O)O)O LAC [1,1,0,0,0,0|1,0,0]=3 207 B5R0.5 C[C@H]([C@@H](C)O)O BU3 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.5 C[C@H]([C@H](C)O)O BU9 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.5 [C@H](C(=O)O)(N)O HGY [1,1,0,0,0,0|2,0,0]=4 210 B5R0.2 C(CCN)CN PUT [1,1,0,0,0,0|1,0,1]=4 211 B5R0.2 C(CCO)CO BU1 [1,1,0,0,0,0|0,0,2]=4 212 B5R0.2 C(CCO)C[NH3+] 4HA [1,1,0,0,0,0|0,0,2]=4 213 B5R0.2 C(CCl)NC=O CEC [1,1,0,0,0,0|1,0,0]=3 214 B5R0.2 C(CN)CON XAP [1,1,0,0,0,0|2,0,0]=4 215 B5R0.2 CCC/C=N\O BXO [1,1,0,0,0,0|0,0,1]=3 216 B5R0.2 CCCCC=O PTL [1,1,0,0,0,0|0,0,0]=2 217 B5R0.2 CCCCCBr 5BR [1,1,0,0,0,0|1,0,1]=4 218 B5R0.2 CCCCCC HEX [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 CCCCCCl 7CL [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 CCCCCN AML [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 CCCCCO PE9 [1,1,0,0,0,0|0,0,2]=4 222 B5R0.2 CCCC[N+]#[C-] NBN [1,1,0,0,0,0|1,0,1]=4 223 B5R0.2 CCOCCO ETX [1,1,0,0,0,0|0,0,2]=4 224 B5R0.2 CNCCCN N3D [1,1,0,0,0,0|1,0,1]=4 225 B5R0.2 COCCOC DXE [1,1,0,0,0,0|2,0,0]=4 226 B7R0.2 C([C@@H](C=O)N)C(=O)O ASA [0,2,0,0,0,0|1,0,1]=4 227 B7R0.2 C([C@@H](CO)N)C(=O)O ASJ [0,2,0,0,0,0|1,0,0]=3 228 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)N ASN_LL [0,2,0,0,0,0|1,0,1]=4 229 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)O ASP_LL [0,2,0,0,0,0|1,0,1]=4 230 B7R0.2 C([C@@H]([C-]=O)[NH-])C(=O)[O-] ASP_LL_DHD2 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)N ASN_LSN3 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)O ASP_LSN3 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.2 C([C@@H]([C-]=O)[NH3+])C(=O)[O-] ASP_LSN3_DHD2 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.2 C([C@H](CO)N)C(=O)O B3S [0,2,0,0,0,0|1,0,0]=3 235 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,2,0,0,0,0|1,0,0]=3 236 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [0,2,0,0,0,0|0,0,0]=2 237 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,2,0,0,0,0|0,0,2]=4 238 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL [0,2,0,0,0,0|0,0,1]=3 239 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 [0,2,0,0,0,0|0,0,1]=3 240 B7R0.2 CC(C)NC(=N)NO IHG [0,2,0,0,0,0|1,0,1]=4 241 B7R0.3 C=CCC[C@@H](CO)O 217 [0,2,0,0,0,0|2,0,0]=4 242 B7R0.5 C(C=O)[C@H](C(=O)O)N AS2 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.7 CC(CCO)CCO 40S [0,2,0,0,0,0|0,0,2]=4 244 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL [0,2,0,0,0,0|0,0,1]=3 245 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 [0,2,0,0,0,0|0,0,1]=3 246 B7R0.9 CC(C)(C)CC(=O)O DTG [0,2,0,0,0,0|0,0,0]=2 247 B7R0.9 CC(C)(C)NC(=O)O TBB [0,2,0,0,0,0|1,0,0]=3 248 B7R0.9 CC(C)(C)OC(=O)O BOC [0,2,0,0,0,0|1,0,0]=3 249 B7R0.9 CC(C)(C)OC(=O)O OTB [0,2,0,0,0,0|1,0,0]=3 250 B7R0.9 CC(C)OP(=O)(O)O ISP [0,2,0,0,0,0|2,0,0]=4 251 B7R0.9 CC(C)OP(=O)(O)O MIP [0,2,0,0,0,0|2,0,0]=4 252 B7R0.9 C[C@@H](CC(C)(C)O)O MPD [0,2,0,0,0,0|0,0,2]=4 253 B7R0.9 C[C@@H](CP(=O)(O)O)O S0H [0,2,0,0,0,0|2,0,0]=4 254 B7R0.9 C[C@H](CC(C)(C)O)O MRD [0,2,0,0,0,0|0,0,2]=4 255 B7R0.9 C[C@H](CP(=O)(O)O)O TB6 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,2,0,0,0,0|1,0,0]=3 257 B7R0.16 B([C@H](C(C)C)N)(O)O B2V [0,2,0,0,0,0|1,0,1]=4 258 B7R0.16 CC(=O)[C@@H](C(=O)O)N AKB [0,2,0,0,0,0|1,0,1]=4 259 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,2,0,0,0,0|0,0,1]=3 260 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,2,0,0,0,0|0,0,0]=2 261 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,2,0,0,0,0|0,0,0]=2 262 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,2,0,0,0,0|0,0,0]=2 263 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,2,0,0,0,0|0,0,0]=2 264 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,2,0,0,0,0|0,0,0]=2 265 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,2,0,0,0,0|0,0,0]=2 266 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,2,0,0,0,0|0,0,0]=2 267 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,2,0,0,0,0|0,0,0]=2 268 B7R0.16 CC(C)[C@@H](C(O)O)N VAI [0,2,0,0,0,0|0,0,2]=4 269 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,2,0,0,0,0|0,0,0]=2 270 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,2,0,0,0,0|0,0,0]=2 271 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [0,2,0,0,0,0|1,0,0]=3 272 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O ALO [0,2,0,0,0,0|1,0,0]=3 273 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O DTH [0,2,0,0,0,0|1,0,0]=3 274 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O 9AT [0,2,0,0,0,0|1,0,0]=3 275 B7R0.16 C[C@H]([C@@H](C(=O)O)N)N VLL [0,2,0,0,0,0|1,0,0]=3 276 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR [0,2,0,0,0,0|1,0,0]=3 277 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O THR_LFOH [0,2,0,0,0,0|1,0,0]=3 278 B7R0.16 C[C@H]([C@@H](C(=O)O)N)S CG6 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.16 C[C@H]([C@@H](C(=O)O)N)[O-] THR_LFOH_DHG1 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])O THR_LEO2H [0,2,0,0,0,0|1,0,0]=3 281 B7R0.16 C[C@H]([C@@H](C(=O)O)[NH-])[O-] THR_LEO2H_DHG1 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW [0,2,0,0,0,0|1,0,0]=3 285 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 [0,2,0,0,0,0|1,0,0]=3 286 B7R0.16 C[C@H]([C@H](C(=O)O)N)N VDL [0,2,0,0,0,0|1,0,0]=3 287 B7R0.16 C[C@H]([C@H](C(=O)O)N)O 2TL [0,2,0,0,0,0|1,0,0]=3 288 B7R0.16 [C@H](C(O)O)(C(=O)O)N DDZ [0,2,0,0,0,0|2,0,0]=4 289 B7R0.13 CC(C)[C@@](C)(C#N)O ICN [0,2,0,0,0,0|1,0,1]=4 290 B7R0.6 CC(=O)CCC(=O)O SHF [0,2,0,0,0,0|1,0,1]=4 291 B7R0.6 CC(=O)NCC(=O)O AAC [0,2,0,0,0,0|1,0,1]=4 292 B7R0.6 CC(C)CCC(=O)O 4MV [0,2,0,0,0,0|0,0,0]=2 293 B7R0.6 CC(C)COC(=O)O IBU [0,2,0,0,0,0|0,0,0]=2 294 B7R0.6 CC(C)NCC(=O)O IPG [0,2,0,0,0,0|0,0,0]=2 295 B7R0.6 CS(C)CCC(=O)O DQY [0,2,0,0,0,0|1,0,0]=3 296 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,2,0,0,0,0|1,0,0]=3 297 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|0,0,1]=3 298 B5R1.1 C1CCNC1 VES [1,0,0,1,0,0|1,0,1]=4 299 B5R1.1 C1CCOC1 FU1 [1,0,0,1,0,0|0,0,2]=4 300 B7R1.2 C1CC(=O)CC1=O CEJ [0,1,0,1,0,0|1,0,1]=4 301 B7R1.3 C1C[C@H](CN=C1)N XBB [0,1,0,1,0,0|2,0,0]=4 302 B7R1.12 C[C@H]1[C@H](N1)C(=O)O 3K4 [0,1,0,1,0,0|1,0,0]=3