0 B5R0.2 C(CCN)CN PUT [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 C(CCO)CO BU1 [0,0,0,0,0,0|1,1,0]=2 2 B5R0.2 C(CCO)C[NH3+] 4HA [0,0,0,0,0,0|1,1,0]=2 3 B5R0.2 C(CCl)NC=O CEC [0,0,0,0,0,0|2,1,1]=4 4 B5R0.2 C(CN)CON XAP [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 C(CO)N=[N+]=[N-] AE9 [0,0,0,0,0,0|3,1,0]=4 6 B5R0.2 CCC/C=N\O BXO [0,0,0,0,0,0|1,1,1]=3 7 B5R0.2 CCCCC=O PTL [0,0,0,0,0,0|0,1,1]=2 8 B5R0.2 CCCCCBr 5BR [0,0,0,0,0,0|1,0,0]=1 9 B5R0.2 CCCCCC HEX [0,0,0,0,0,0|1,0,0]=1 10 B5R0.2 CCCCCCl 7CL [0,0,0,0,0,0|1,0,0]=1 11 B5R0.2 CCCCCN AML [0,0,0,0,0,0|1,0,0]=1 12 B5R0.2 CCCCCO PE9 [0,0,0,0,0,0|0,1,0]=1 13 B5R0.2 CCCC[N+]#[C-] NBN [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 CCOCCO ETX [0,0,0,0,0,0|1,1,0]=2 15 B5R0.2 CNCCCN N3D [0,0,0,0,0,0|2,0,0]=2 16 B5R0.2 COCCOC DXE [0,0,0,0,0,0|3,0,0]=3 17 B4R0.2 C(CCl)CCl 0CL [1,0,0,0,0,0|2,0,0]=3 18 B4R0.2 C(CN)CBr 4LJ [1,0,0,0,0,0|2,0,0]=3 19 B4R0.2 C(CN)CN 13D [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 C(CN)CO 0D8 [1,0,0,0,0,0|1,1,0]=3 21 B4R0.2 C(CO)CCl 3CL [1,0,0,0,0,0|1,1,0]=3 22 B4R0.2 C(CO)CO HPG [1,0,0,0,0,0|1,1,0]=3 23 B4R0.2 C(CO)CO PDO [1,0,0,0,0,0|1,1,0]=3 24 B4R0.2 C(CS)C=O MPR [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 C(CS)CS PDT [1,0,0,0,0,0|1,0,0]=2 26 B4R0.2 C(O)OCO 21H [1,0,0,0,0,0|2,1,0]=4 27 B4R0.2 CC/C=N\O PXO [1,0,0,0,0,0|1,1,1]=4 28 B4R0.2 CCCCBr BBU [1,0,0,0,0,0|1,0,0]=2 29 B4R0.2 CCCCC LNK [1,0,0,0,0,0|0,0,0]=1 30 B4R0.2 CCCCN LYT [1,0,0,0,0,0|1,0,0]=2 31 B4R0.2 CCCCO 1BO [1,0,0,0,0,0|0,1,0]=2 32 B4R0.2 CCC[N+]#[C-] NPN [1,0,0,0,0,0|1,0,1]=3 33 B4R0.2 CCOC=O ETO [1,0,0,0,0,0|1,1,1]=4 34 B4R0.2 CCOCC ETZ [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 CCOC[O-] EOM [1,0,0,0,0,0|1,1,0]=3 36 B4R0.2 COCCO MXE [1,0,0,0,0,0|1,1,0]=3 37 B4R0.2 COCC[O-] MOE [1,0,0,0,0,0|1,1,0]=3 38 B6R0.1 C(CO)[C@H](C[O])O BGQ [0,1,0,0,0,0|1,1,0]=3 39 B6R0.1 C([C@H](CSO)O)O SGL [0,1,0,0,0,0|2,1,0]=4 40 B6R0.1 CCC(=O)OCC CA1 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCC[C@@H](CO)O 1SP [0,1,0,0,0,0|0,1,0]=2 42 B6R0.1 CCOC(=O)CN GEE [0,1,0,0,0,0|2,0,1]=4 43 B6R0.1 CCS[C@H](C)SC 0AJ [0,1,0,0,0,0|3,0,0]=4 44 B6R0.4 B(CCCC)(O)O BUB [0,1,0,0,0,0|1,1,0]=3 45 B6R0.4 C(CC(=O)O)CBr 0A5 [0,1,0,0,0,0|1,1,1]=4 46 B6R0.4 C(CC(=O)O)CN ABU [0,1,0,0,0,0|1,1,1]=4 47 B6R0.4 C(CSS)C(=O)O 3SS [0,1,0,0,0,0|2,0,1]=4 48 B6R0.4 CC(C)CCC=O MOP [0,1,0,0,0,0|0,1,1]=3 49 B6R0.4 CCCCC(=O)O LEA [0,1,0,0,0,0|0,1,1]=3 50 B6R0.4 CCCCC(=O)O PEI [0,1,0,0,0,0|0,1,1]=3 51 B6R0.4 CCCOC(=O)C 4PA [0,1,0,0,0,0|1,1,1]=4 52 B6R0.4 CCNCC(=O)O 2JC [0,1,0,0,0,0|1,1,1]=4 53 B6R0.4 CN(C)CCCN DIB [0,1,0,0,0,0|2,0,0]=3 54 B6R0.6 C(CC=N)CC=O ARN [0,1,0,0,0,0|0,1,2]=4 55 B6R0.6 C(CC=O)CC=O PTD [0,1,0,0,0,0|0,1,2]=4 56 B6R0.6 C(CCN)CCN N2P [0,1,0,0,0,0|1,0,0]=2 57 B6R0.6 C(CCNN)CN 01H [0,1,0,0,0,0|2,0,0]=3 58 B6R0.6 C(CCO)CC=O GAQ [0,1,0,0,0,0|0,1,1]=3 59 B6R0.6 C(COCC=O)O 1KA [0,1,0,0,0,0|1,1,1]=4 60 B6R0.6 C(COCCO)O PEG [0,1,0,0,0,0|1,1,0]=3 61 B6R0.6 CCCCCCC HP6 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.6 CCCCCCO HE2 [0,1,0,0,0,0|0,1,0]=2 63 B6R0.6 CCCCNC=O YIV [0,1,0,0,0,0|0,1,1]=3 64 B6R0.6 CCCSCCO 266 [0,1,0,0,0,0|0,1,0]=2 65 B6R1.1 C1CCCCC1 CHX [0,0,0,1,0,0|1,0,0]=2 66 B6R1.1 C1CCNCC1 PIP [0,0,0,1,0,0|1,0,0]=2 67 B6R1.1 C1CCOCC1 PYE [0,0,0,1,0,0|0,1,0]=2 68 B6R1.1 C1CNCCN1 PZE [0,0,0,1,0,0|2,0,0]=3 69 B6R1.1 C1COCCN1 6LR [0,0,0,1,0,0|1,1,0]=3 70 B6R1.1 C1COCCO1 DIO [0,0,0,1,0,0|1,1,0]=3 71 B6R1.1 C1COCCO1 DOX [0,0,0,1,0,0|1,1,0]=3 72 B6R1.2 C1CC(=O)NC1 BAQ [0,0,0,1,0,0|1,1,1]=4 73 B6R1.2 C1CC(=O)OC1 GBL [0,0,0,1,0,0|1,1,1]=4 74 B6R1.2 C1CCC(=O)C1 MFW [0,0,0,1,0,0|0,1,1]=3 75 B6R1.2 C1CCC(C1)N 1CB [0,0,0,1,0,0|1,0,0]=2 76 B6R1.2 C1CCC(C1)O YEG [0,0,0,1,0,0|0,1,0]=2 77 B6R1.2 C1CNC[C@@H]1N 04S [0,0,0,1,0,0|2,0,0]=3 78 B6R1.2 C1CNC[C@H]1O 6SP [0,0,0,1,0,0|1,1,0]=3 79 B6R1.2 C1CSC(=N1)N ATQ [0,0,0,1,0,0|2,0,1]=4 80 B6R1.3 COCC1CC1 09U [0,0,0,1,0,0|2,0,0]=3 81 B3R0.1 C(CBr)O BRJ [2,0,0,0,0,0|1,1,0]=4 82 B3R0.1 C(CCl)Cl DCE [2,0,0,0,0,0|2,0,0]=4 83 B3R0.1 C(CN)N EDN [2,0,0,0,0,0|2,0,0]=4 84 B3R0.1 C(CO)N ETA [2,0,0,0,0,0|1,1,0]=4 85 B3R0.1 C(CO)O EDO [2,0,0,0,0,0|1,1,0]=4 86 B3R0.1 C(CO)O EGL [2,0,0,0,0,0|1,1,0]=4 87 B3R0.1 C(CS)N DHL [2,0,0,0,0,0|1,0,0]=3 88 B3R0.1 C(CS)N SEA [2,0,0,0,0,0|1,0,0]=3 89 B3R0.1 C(CS)O BME [2,0,0,0,0,0|1,0,0]=3 90 B3R0.1 C(CS)O SEO [2,0,0,0,0,0|1,0,0]=3 91 B3R0.1 C(CS)S 6LN [2,0,0,0,0,0|1,0,0]=3 92 B3R0.1 CCC#N CNV [2,0,0,0,0,0|1,0,1]=4 93 B3R0.1 CCC=O CBG [2,0,0,0,0,0|0,1,1]=4 94 B3R0.1 CCC=O PNL [2,0,0,0,0,0|0,1,1]=4 95 B3R0.1 CCCBr 3BR [2,0,0,0,0,0|1,0,0]=3 96 B3R0.1 CCCC BUT [2,0,0,0,0,0|0,0,0]=2 97 B3R0.1 CCCC NBU [2,0,0,0,0,0|0,0,0]=2 98 B3R0.1 CCCC SBU [2,0,0,0,0,0|0,0,0]=2 99 B3R0.1 CCCN 3CN [2,0,0,0,0,0|1,0,0]=3 100 B3R0.1 CCCO POL [2,0,0,0,0,0|0,1,0]=3 101 B3R0.1 CCCS XL3 [2,0,0,0,0,0|0,0,0]=2 102 B3R0.1 CCN=O NOE [2,0,0,0,0,0|1,1,0]=4 103 B3R0.1 CCNC ETN [2,0,0,0,0,0|1,0,0]=3 104 B3R0.1 CCOC 2ME [2,0,0,0,0,0|1,0,0]=3 105 B3R0.1 CC[N+]#C ENC [2,0,0,0,0,0|1,0,1]=4 106 B5R0.1 C(CS)C(=O)O MPT [1,1,0,0,0,0|1,0,1]=4 107 B5R0.1 CC(=O)CCO BUQ [1,1,0,0,0,0|0,1,1]=4 108 B5R0.1 CC(C)CCN LEN [1,1,0,0,0,0|1,0,0]=3 109 B5R0.1 CC(C)CCO IP3 [1,1,0,0,0,0|0,1,0]=3 110 B5R0.1 CCCC(=O)C PNH [1,1,0,0,0,0|0,0,1]=3 111 B5R0.1 CCCC(=O)N BMD [1,1,0,0,0,0|0,1,1]=4 112 B5R0.1 CCCC(=O)O BUA [1,1,0,0,0,0|0,1,1]=4 113 B5R0.1 CCC[N+](=O)[O-] N1P [1,1,0,0,0,0|1,1,0]=4 114 B5R0.1 CCOC(=O)C EEE [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 CSC[S@@](=O)C DSS [1,1,0,0,0,0|2,0,0]=4 116 B5R0.1 C[C@@H](CCO)O BU2 [1,1,0,0,0,0|0,1,0]=3 117 B5R0.1 C[C@H](CC=O)O 5KO [1,1,0,0,0,0|0,1,1]=4 118 B5R0.1 C[C@H](CCO)O BU4 [1,1,0,0,0,0|0,1,0]=3 119 B5R0.3 C(C(CCl)Cl)Cl 3KP [1,1,0,0,0,0|2,0,0]=4 120 B5R0.3 C(C(CO)N)O SEL [1,1,0,0,0,0|1,1,0]=4 121 B5R0.3 C(C(CO)O)O CRY [1,1,0,0,0,0|1,1,0]=4 122 B5R0.3 C(C(CO)O)O GOL [1,1,0,0,0,0|1,1,0]=4 123 B5R0.3 C([C@@H](CCl)Cl)O D2P [1,1,0,0,0,0|1,1,0]=4 124 B5R0.3 C([C@@H]([C-]=O)[NH-])S CYS_LL [1,1,0,0,0,0|1,0,1]=4 125 B5R0.3 C([C@@H]([C-]=O)[NH3+])S CYS_LSN3 [1,1,0,0,0,0|1,0,1]=4 126 B5R0.3 C([C@H](CS)O)O SGM [1,1,0,0,0,0|1,0,0]=3 127 B5R0.3 CCC(CC)N D0M [1,1,0,0,0,0|0,0,0]=2 128 B5R0.3 CC[C@H](C)CN DCI [1,1,0,0,0,0|1,0,0]=3 129 B5R0.3 CC[C@H](C)CN MBA [1,1,0,0,0,0|1,0,0]=3 130 B7R0.2 C([C@H](CS)N)C(=O)O BCX [0,2,0,0,0,0|1,0,1]=4 131 B7R0.2 CC(C)C[C@@H](C=O)N LCZ [0,2,0,0,0,0|0,1,1]=4 132 B7R0.2 CC(C)C[C@@H](CO)N DCL [0,2,0,0,0,0|0,1,0]=3 133 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH-] LEU_LL [0,2,0,0,0,0|0,1,1]=4 134 B7R0.2 CC(C)C[C@@H]([C-]=O)[NH3+] LEU_LSN3 [0,2,0,0,0,0|0,1,1]=4 135 B7R0.3 C(C[C@@H](CO)O)CO XXD [0,2,0,0,0,0|0,1,0]=3 136 B7R0.3 C=CCC[C@@H](CO)O 217 [0,2,0,0,0,0|0,1,1]=4 137 B7R0.3 CCCC[C@@H](C=O)N LYW [0,2,0,0,0,0|0,1,0]=3 138 B7R0.3 CCCC[C@@H](CO)N 2AO [0,2,0,0,0,0|0,1,0]=3 139 B7R0.3 CCCC[C@@H](CO)O 0RE [0,2,0,0,0,0|0,1,0]=3 140 B7R0.3 CCCC[C@H](CO)O 7FB [0,2,0,0,0,0|0,1,0]=3 141 B7R0.3 COC(=O)CCCN GVE [0,2,0,0,0,0|1,0,1]=4 142 B7R0.3 CSCC[C@@H]([C-]=O)[NH-] MET_LL [0,2,0,0,0,0|0,1,1]=4 143 B7R0.3 CSCC[C@@H]([C-]=O)[NH3+] MET_LSN3 [0,2,0,0,0,0|0,1,1]=4 144 B7R0.5 C(CS)[C@@H](C(=O)O)N HCS [0,2,0,0,0,0|1,0,1]=4 145 B7R0.5 C(CS)[C@H](C(=O)O)N KCY [0,2,0,0,0,0|1,0,1]=4 146 B7R0.5 CCC[C@@H](C(=O)O)N 2PI [0,2,0,0,0,0|0,1,1]=4 147 B7R0.5 CCC[C@@H](C(=O)O)N BTA [0,2,0,0,0,0|0,1,1]=4 148 B7R0.5 CCC[C@@H](C(=O)O)N NVA [0,2,0,0,0,0|0,1,1]=4 149 B7R0.5 CCC[C@@H](C(=O)O)N RON [0,2,0,0,0,0|0,1,1]=4 150 B7R0.7 CC(CCO)CCO 40S [0,2,0,0,0,0|0,1,0]=3 151 B7R0.10 C([C@@H]([C@H](CO)O)O)O DTL [0,2,0,0,0,0|1,1,0]=4 152 B7R0.10 C([C@@H]([C@H](CS)O)O)S DTT [0,2,0,0,0,0|1,0,0]=3 153 B7R0.10 C([C@H]([C@@H](CO)O)O)O 3VB [0,2,0,0,0,0|1,1,0]=4 154 B7R0.10 C([C@H]([C@@H](CS)O)O)S DTV [0,2,0,0,0,0|1,0,0]=3 155 B7R0.10 C([C@H]([C@H](CO)O)O)O MRY [0,2,0,0,0,0|1,1,0]=4 156 B7R0.10 C([C@H]([C@H](CS)O)O)S DTU [0,2,0,0,0,0|1,0,0]=3 157 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL [0,2,0,0,0,0|0,1,1]=4 158 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 [0,2,0,0,0,0|0,1,1]=4 159 B7R0.10 COC(=O)[C@H](CS)N CMT [0,2,0,0,0,0|1,0,1]=4 160 B7R0.4 C(CCO)CC(=O)O SHO [0,2,0,0,0,0|0,1,1]=4 161 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,2,0,0,0,0|0,1,1]=4 162 B7R0.4 CCCCCC(=O)C HTX [0,2,0,0,0,0|0,1,0]=3 163 B7R0.4 CCCCCC(=O)O 6NA [0,2,0,0,0,0|0,1,0]=3 164 B7R0.4 CCCCOC(=O)C 8JZ [0,2,0,0,0,0|0,1,1]=4 165 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [0,2,0,0,0,0|1,1,0]=4 166 B7R0.6 CC(C)CCC(=O)O 4MV [0,2,0,0,0,0|0,1,1]=4 167 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,2,0,0,0,0|0,1,1]=4 168 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,2,0,0,0,0|0,1,0]=3 169 B7R0.8 CCCCP(=O)(O)O CCP [0,2,0,0,0,0|1,1,0]=4 170 B7R0.1 C(CCC=O)CCN DNL [0,2,0,0,0,0|0,1,0]=3 171 B7R0.1 C(CCCBr)CCO BHL [0,2,0,0,0,0|0,1,0]=3 172 B7R0.1 C(CCCN)CCN 16D [0,2,0,0,0,0|1,0,0]=3 173 B7R0.1 C(CCCO)CCN 6AH [0,2,0,0,0,0|0,1,0]=3 174 B7R0.1 C(CCCO)CCO HEZ [0,2,0,0,0,0|0,1,0]=3 175 B7R0.1 C(CSSCCO)O HED [0,2,0,0,0,0|1,1,0]=4 176 B7R0.1 CCCCCCC#N CNX [0,2,0,0,0,0|1,0,0]=3 177 B7R0.1 CCCCCCCC OCT [0,2,0,0,0,0|1,0,0]=3 178 B7R0.1 CCCCCCCO HE4 [0,2,0,0,0,0|0,1,0]=3 179 B7R0.1 CCCSSCCC SSP [0,2,0,0,0,0|1,0,0]=3 180 B7R0.1 COCCOCCO PG0 [0,2,0,0,0,0|0,1,0]=3 181 B5R1.1 C1CCNC1 VES [1,0,0,1,0,0|1,0,0]=3 182 B5R1.1 C1CCOC1 FU1 [1,0,0,1,0,0|0,1,0]=3 183 B5R1.3 C1CC1CO 09V [1,0,0,1,0,0|0,1,0]=3 184 B7R1.1 C1CCN(C1)C=O FP6 [0,1,0,1,0,0|0,1,1]=4 185 B7R1.1 C1C[C@H](NC1)C#N QEJ [0,1,0,1,0,0|1,0,1]=4 186 B7R1.1 C1C[C@H](NC1)C=O PRI [0,1,0,1,0,0|0,1,1]=4 187 B7R1.1 C1C[C@H](NC1)CN P2Y [0,1,0,1,0,0|1,0,0]=3 188 B7R1.1 C1C[C@H]([N-]C1)[C-]=O PRO_LL [0,1,0,1,0,0|0,1,1]=4 189 B7R1.1 C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 [0,1,0,1,0,0|0,1,1]=4 190 B7R1.3 C1CCC(=O)CC1 CYH [0,1,0,1,0,0|0,1,0]=3 191 B7R1.3 C1CCC(CC1)O CXL [0,1,0,1,0,0|0,1,0]=3 192 B7R1.3 C1CCC(CC1)[NH3+] HAI [0,1,0,1,0,0|1,0,0]=3 193 B7R1.3 C1CCNC(=N)C1 2IM [0,1,0,1,0,0|1,0,1]=4 194 B7R1.3 C1C[C@H](CN=C1)N XBB [0,1,0,1,0,0|1,0,1]=4 195 B7R1.4 C1C[C@H]([C@H](C1)O)O 17Y [0,1,0,1,0,0|0,1,0]=3 196 B7R1.4 CN1CCCC1=O MB3 [0,1,0,1,0,0|0,1,1]=4 197 B7R1.7 CCCC[C@@H]1CO1 0PZ [0,1,0,1,0,0|0,1,0]=3 198 B7R2.13 C1C[C@@H]2[C@H](C1)O2 3ZS [0,0,0,2,0,0|0,1,0]=3