0 B7R1.2 C1C(=O)NC(=O)N1 HYN [0,0,0,0,0,0|3,0,1]=4 1 B7R1.2 C1CC(=O)CC1=O CEJ [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 B1(OCCO1)O SBE [1,0,0,0,0,0|2,0,1]=4 3 B6R1.2 C1CC(=O)NC1 BAQ [1,0,0,0,0,0|1,0,0]=2 4 B6R1.2 C1CC(=O)OC1 GBL [1,0,0,0,0,0|0,0,0]=1 5 B6R1.2 C1CCC(=O)C1 MFW [1,0,0,0,0,0|1,0,0]=2 6 B6R1.2 C1CCC(C1)N 1CB [1,0,0,0,0,0|2,0,1]=4 7 B6R1.2 C1CCC(C1)O YEG [1,0,0,0,0,0|1,0,2]=4 8 B6R1.2 C1CNC[C@@H]1N 04S [1,0,0,0,0,0|3,0,0]=4 9 B6R1.2 C1CNC[C@H]1O 6SP [1,0,0,0,0,0|3,0,0]=4 10 B6R1.2 C1CSC(=N1)N ATQ [1,0,0,0,0,0|2,1,0]=4 11 B8R1.1 C1CC(=O)N[C@@H]1C=O CGN [0,1,0,0,0,0|1,0,1]=3 12 B8R1.18 C1[C@@H](C(=O)NC1=O)N SNN [0,1,0,0,0,0|2,0,1]=4 13 B8R1.18 CC1=C[C@@H](OC1=O)O H3M [0,1,0,0,0,0|1,0,2]=4 14 B8R1.18 CC1[C@H](O[C@@H](N1)C)C 285 [0,1,0,0,0,0|2,0,1]=4 15 B8R1.50 CC1=C(C(=O)CO1)O 4XX [0,1,0,0,0,0|2,0,1]=4 16 B8R1.50 CN1C(=O)CCC1=O LCY [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 CCC(=O)OCC CA1 [0,0,1,0,0,0|0,0,0]=1 18 B6R0.1 CCNC(=O)OC MEC [0,0,1,0,0,0|2,0,0]=3 19 B6R0.1 CCOC(=O)CN GEE [0,0,1,0,0,0|1,0,0]=2 20 B6R0.1 CCOC(=O)NC EMB [0,0,1,0,0,0|1,0,0]=2 21 B6R0.2 CC(=O)CC(=O)C P2D [0,0,1,0,0,0|2,0,1]=4 22 B6R0.2 CC(C)CC(=O)O IVA [0,0,1,0,0,0|2,0,0]=3 23 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,0,1,0,0,0|2,0,1]=4 24 B6R0.2 CC(C)SC(=N)N IPU [0,0,1,0,0,0|2,1,0]=4 25 B6R0.2 CN(C)CC(=O)O DMG [0,0,1,0,0,0|3,0,0]=4 26 B6R0.2 CS(C)CC(=O)O 313 [0,0,1,0,0,0|3,0,0]=4 27 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,1,0,0,0|3,0,0]=4 28 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,1,0,0,0|3,0,0]=4 29 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,1,0,0,0|3,0,0]=4 30 B6R0.4 B(CCCC)(O)O BUB [0,0,1,0,0,0|1,0,1]=3 31 B6R0.4 C#CCCC(=O)O 54L [0,0,1,0,0,0|0,0,2]=3 32 B6R0.4 C(CC(=O)O)C=O SSN [0,0,1,0,0,0|1,0,1]=3 33 B6R0.4 C(CC(=O)O)CBr 0A5 [0,0,1,0,0,0|1,0,0]=2 34 B6R0.4 C(CC(=O)O)CN ABU [0,0,1,0,0,0|1,0,0]=2 35 B6R0.4 C(CSS)C(=O)O 3SS [0,0,1,0,0,0|2,0,0]=3 36 B6R0.4 CC(C)CCC=O MOP [0,0,1,0,0,0|1,0,0]=2 37 B6R0.4 CCCCC(=O)O LEA [0,0,1,0,0,0|0,0,0]=1 38 B6R0.4 CCCCC(=O)O PEI [0,0,1,0,0,0|0,0,0]=1 39 B6R0.4 CCCOC(=O)C 4PA [0,0,1,0,0,0|2,0,0]=3 40 B6R0.4 CCNCC(=O)O 2JC [0,0,1,0,0,0|1,0,0]=2 41 B8R1.3 CC1CCC(CC1)N 2MH [0,0,0,0,0,1|2,0,1]=4 42 B8R1.3 CC1CCC(CC1)N 4JU [0,0,0,0,0,1|2,0,1]=4 43 B8R1.4 C1CNC(=O)NC1=O DUC [0,0,0,0,0,1|2,0,1]=4 44 B8R1.4 C[C@H]1CCNC(=C1)N 284 [0,0,0,0,0,1|2,0,0]=3 45 B5R0.1 C(C(=O)O)ON AOA [1,0,1,0,0,0|2,0,0]=4 46 B5R0.1 C(CN)C(=O)O BAL [1,0,1,0,0,0|1,0,0]=3 47 B5R0.1 C(CO)C(=O)O 3OH [1,0,1,0,0,0|1,0,0]=3 48 B5R0.1 C(CS)C(=O)O MPT [1,0,1,0,0,0|1,0,0]=3 49 B5R0.1 C(C[SeH])C(=O)O SLP [1,0,1,0,0,0|1,0,0]=3 50 B5R0.1 CC(=O)CCO BUQ [1,0,1,0,0,0|2,0,0]=4 51 B5R0.1 CC(C)CCN LEN [1,0,1,0,0,0|2,0,0]=4 52 B5R0.1 CC(C)CCO IP3 [1,0,1,0,0,0|1,0,1]=4 53 B5R0.1 CC=CC(=O)O BEO [1,0,1,0,0,0|0,0,2]=4 54 B5R0.1 CCCC(=O)C PNH [1,0,1,0,0,0|1,0,0]=3 55 B5R0.1 CCCC(=O)N BMD [1,0,1,0,0,0|1,0,0]=3 56 B5R0.1 CCCC(=O)O BUA [1,0,1,0,0,0|0,0,0]=2 57 B5R0.1 CCC[N+](=O)[O-] N1P [1,0,1,0,0,0|1,0,1]=4 58 B5R0.1 CCOC(=O)C EEE [1,0,1,0,0,0|0,0,0]=2 59 B5R0.1 CCOC(=O)O 01F [1,0,1,0,0,0|1,0,0]=3 60 B5R0.1 CCO[P@H](=O)O ATJ [1,0,1,0,0,0|2,0,0]=4 61 B5R0.1 CNCC(=O)O MGY [1,0,1,0,0,0|1,0,0]=3 62 B5R0.1 CNCC(=O)O SAR [1,0,1,0,0,0|1,0,0]=3 63 B5R0.1 CSCC(=O)[O-] MTG [1,0,1,0,0,0|1,0,1]=4 64 B5R0.1 C[C@@H](CCO)O BU2 [1,0,1,0,0,0|0,0,1]=3 65 B5R0.1 C[C@H](CC=O)O 5KO [1,0,1,0,0,0|0,0,0]=2 66 B5R0.1 C[C@H](CCO)O BU4 [1,0,1,0,0,0|0,0,1]=3 67 B5R0.1 C[Se]CC(=O)[O-] MSF [1,0,1,0,0,0|1,0,1]=4 68 B5R0.1 C[Te]CC(=O)[O-] MTD [1,0,1,0,0,0|1,0,1]=4 69 B5R0.2 C(CCO)CO BU1 [1,0,1,0,0,0|0,0,2]=4 70 B5R0.2 C(CCO)C[NH3+] 4HA [1,0,1,0,0,0|1,0,1]=4 71 B5R0.2 C(CCl)NC=O CEC [1,0,1,0,0,0|2,0,0]=4 72 B5R0.2 CCC/C=N\O BXO [1,0,1,0,0,0|1,0,1]=4 73 B5R0.2 CCCCC=O PTL [1,0,1,0,0,0|0,0,0]=2 74 B5R0.2 CCCCCBr 5BR [1,0,1,0,0,0|1,0,1]=4 75 B5R0.2 CCCCCC HEX [1,0,1,0,0,0|1,0,1]=4 76 B5R0.2 CCCCCCl 7CL [1,0,1,0,0,0|1,0,1]=4 77 B5R0.2 CCCCCN AML [1,0,1,0,0,0|1,0,1]=4 78 B5R0.2 CCCCCO PE9 [1,0,1,0,0,0|0,0,1]=3 79 B5R0.2 CCCC[N+]#[C-] NBN [1,0,1,0,0,0|2,0,0]=4 80 B5R0.2 CCOCCO ETX [1,0,1,0,0,0|1,0,1]=4 81 B5R0.3 C(C(=O)CCl)Cl CHM [1,0,1,0,0,0|2,0,0]=4 82 B5R0.3 C(C(=O)CO)O 2HA [1,0,1,0,0,0|2,0,0]=4 83 B5R0.3 C(C(C=O)O)O GXV [1,0,1,0,0,0|2,0,0]=4 84 B5R0.3 C([C@H](C=O)O)O 3GR [1,0,1,0,0,0|2,0,0]=4 85 B5R0.3 CCC(CC)N D0M [1,0,1,0,0,0|1,0,1]=4 86 B5R0.3 CC[C@H](C)CN DCI [1,0,1,0,0,0|1,0,1]=4 87 B5R0.3 CC[C@H](C)CN MBA [1,0,1,0,0,0|1,0,1]=4 88 B5R0.3 CNC(=O)NC MMU [1,0,1,0,0,0|2,0,0]=4 89 B5R0.3 COC(=O)CN MEU [1,0,1,0,0,0|1,0,0]=3 90 B5R1.1 C1CCNC1 VES [2,0,0,0,0,0|1,0,1]=4 91 B5R1.1 C1CCOC1 FU1 [2,0,0,0,0,0|0,0,1]=3 92 B7R0.3 COC(=O)CCCN GVE [0,1,1,0,0,0|2,0,0]=4 93 B7R0.5 CCO[P@H](=O)N(C)C NTJ [0,1,1,0,0,0|2,0,0]=4 94 B7R0.7 CCOP(=O)OCC DEP [0,1,1,0,0,0|1,0,0]=3 95 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH-] ILE_LL [0,1,1,0,0,0|1,0,1]=4 96 B7R0.10 CC[C@H](C)[C@@H]([C-]=O)[NH3+] ILE_LSN3 [0,1,1,0,0,0|1,0,1]=4 97 B7R0.11 CCO[P@@](=O)(NC)O TC3 [0,1,1,0,0,0|2,0,0]=4 98 B7R0.9 CC(C)(C)CC(=O)O DTG [0,1,1,0,0,0|2,0,0]=4 99 B7R0.9 CC(C)(C)NC(=O)O TBB [0,1,1,0,0,0|2,0,0]=4 100 B7R0.9 CC(C)(C)OC(=O)O BOC [0,1,1,0,0,0|1,0,0]=3 101 B7R0.9 CC(C)(C)OC(=O)O OTB [0,1,1,0,0,0|1,0,0]=3 102 B7R0.9 CC(C)OP(=O)(O)O ISP [0,1,1,0,0,0|2,0,0]=4 103 B7R0.9 CC(C)OP(=O)(O)O MIP [0,1,1,0,0,0|2,0,0]=4 104 B7R0.16 CC(C)C(=O)C(=O)O KIV [0,1,1,0,0,0|2,0,0]=4 105 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [0,1,1,0,0,0|1,0,0]=3 106 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [0,1,1,0,0,0|2,0,0]=4 107 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [0,1,1,0,0,0|2,0,0]=4 108 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [0,1,1,0,0,0|2,0,0]=4 109 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [0,1,1,0,0,0|2,0,0]=4 110 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [0,1,1,0,0,0|2,0,0]=4 111 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [0,1,1,0,0,0|2,0,0]=4 112 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [0,1,1,0,0,0|2,0,0]=4 113 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [0,1,1,0,0,0|2,0,0]=4 114 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [0,1,1,0,0,0|2,0,0]=4 115 B7R0.4 C(CCO)CC(=O)O SHO [0,1,1,0,0,0|0,0,0]=2 116 B7R0.4 C(CC[NH3+])CC(=O)O DAV [0,1,1,0,0,0|0,0,0]=2 117 B7R0.4 C(COCC(=O)O)O VKC [0,1,1,0,0,0|1,0,0]=3 118 B7R0.4 C(CSCC(=O)O)N ESD [0,1,1,0,0,0|1,0,0]=3 119 B7R0.4 C(\C=C\CN)C(=O)O FBE [0,1,1,0,0,0|0,0,2]=4 120 B7R0.4 CCCCCC(=O)C HTX [0,1,1,0,0,0|1,0,0]=3 121 B7R0.4 CCCCCC(=O)O 6NA [0,1,1,0,0,0|0,0,0]=2 122 B7R0.4 CCCCOC(=O)C 8JZ [0,1,1,0,0,0|1,0,0]=3 123 B7R0.4 CCOCC[P@H](=O)[O-] BR5 [0,1,1,0,0,0|1,0,1]=4 124 B7R0.6 C(CC(=O)O)C(=O)O SIN [0,1,1,0,0,0|1,0,1]=4 125 B7R0.6 C(C[N+](=O)[O-])C(=O)O 3NP [0,1,1,0,0,0|2,0,0]=4 126 B7R0.6 CC(=O)CCC(=O)O SHF [0,1,1,0,0,0|0,0,1]=3 127 B7R0.6 CC(=O)NCC(=O)O AAC [0,1,1,0,0,0|1,0,1]=4 128 B7R0.6 CC(C)CCC(=O)O 4MV [0,1,1,0,0,0|0,0,0]=2 129 B7R0.6 CC(C)COC(=O)O IBU [0,1,1,0,0,0|1,0,0]=3 130 B7R0.6 CC(C)NCC(=O)O IPG [0,1,1,0,0,0|1,0,0]=3 131 B7R0.6 CS(C)CCC(=O)O DQY [0,1,1,0,0,0|1,0,0]=3 132 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,1,1,0,0,0|0,0,0]=2 133 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,1,1,0,0,0|0,0,2]=4 134 B7R0.8 C(CN)CS(=O)(=O)O A20 [0,1,1,0,0,0|2,0,0]=4 135 B7R0.8 C(CO)CS(=O)(=O)O 54O [0,1,1,0,0,0|2,0,0]=4 136 B7R0.8 CCCCP(=O)(O)O CCP [0,1,1,0,0,0|1,0,0]=3 137 B7R1.1 C1CCN(C1)C=O FP6 [1,1,0,0,0,0|2,0,0]=4 138 B7R1.1 C1C[C@H](NC1)C=O PRI [1,1,0,0,0,0|1,0,1]=4 139 B7R1.1 C1C[C@H](NC1)CN P2Y [1,1,0,0,0,0|1,0,1]=4 140 B7R1.1 C1C[C@H]([N-]C1)[C-]=O PRO_LL [1,1,0,0,0,0|1,0,1]=4 141 B7R1.1 C1C[C@H]([NH2+]C1)[C-]=O PRO_LSN3 [1,1,0,0,0,0|1,0,1]=4 142 B7R1.4 C1COC(=O)[C@H]1N HSL [1,1,0,0,0,0|0,0,0]=2 143 B7R1.4 C1[C@H](C(=O)NO1)N 4AX [1,1,0,0,0,0|2,0,0]=4 144 B7R1.4 CN1CCCC1=O MB3 [1,1,0,0,0,0|1,0,0]=3 145 B7R1.4 CN1CCOC1=O 3MO [1,1,0,0,0,0|1,0,0]=3 146 B9R1.22 C1[C@@H]([C@H](O[C@H]1O)CO)O 2DR [0,2,0,0,0,0|0,0,2]=4 147 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O 5HP [0,2,0,0,0,0|1,0,1]=4 148 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCA [0,2,0,0,0,0|1,0,1]=4 149 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O PCC [0,2,0,0,0,0|1,0,1]=4 150 B9R1.138 CC1(CCC(=O)N1C)C IP4 [0,2,0,0,0,0|1,0,0]=3 151 B7R1.3 C1CC=CC(=O)C1 A2Q [0,0,1,1,0,0|1,0,1]=4 152 B7R1.3 C1CCC(=O)CC1 CYH [0,0,1,1,0,0|1,0,0]=3 153 B7R1.3 C1CCNC(=N)C1 2IM [0,0,1,1,0,0|2,0,0]=4 154 B7R1.7 CCCC[C@@H]1CO1 0PZ [0,0,1,1,0,0|1,0,1]=4 155 B7R1.18 C1CN[C@@H]1C(=O)O 02A [0,0,1,1,0,0|1,0,0]=3 156 B9R2.39 C1C[C@@H]2C[C@H]1CC2=O NCM [0,0,0,1,0,1|1,0,0]=3 157 B9R2.39 C1[C@@H]2C=C[C@H]1NC2=O 66Y [0,0,0,1,0,1|1,0,1]=4 158 B9R2.39 C1[C@H]2C=C[C@@H]1NC2=O 66Z [0,0,0,1,0,1|1,0,1]=4 159 B5R0.5 CC(=O)N(C)C 5Y9 [0,0,1,0,1,0|1,0,0]=3 160 B5R0.5 CC(C)C(=O)N IBO [0,0,1,0,1,0|1,0,0]=3 161 B5R0.5 CC(C)C(=O)O ALQ [0,0,1,0,1,0|1,0,0]=3 162 B5R0.5 CC(C)C(=O)O ISB [0,0,1,0,1,0|1,0,0]=3 163 B5R0.5 CC(C)[C@@H](C)N CDE [0,0,1,0,1,0|1,0,1]=4 164 B5R0.5 CC(C)[N+](=O)[O-] NIS [0,0,1,0,1,0|2,0,0]=4 165 B5R0.5 C[C@@H](C(=O)C)N ALM [0,0,1,0,1,0|1,0,0]=3 166 B5R0.5 C[C@@H](C(=O)C)O HBS [0,0,1,0,1,0|1,0,0]=3 167 B5R0.5 C[C@@H](C(=O)N)N 66N [0,0,1,0,1,0|2,0,0]=4 168 B5R0.5 C[C@@H](C(=O)O)Cl CNR [0,0,1,0,1,0|2,0,0]=4 169 B5R0.5 C[C@@H](C(=O)O)N ALA [0,0,1,0,1,0|2,0,0]=4 170 B5R0.5 C[C@@H](C(=O)O)N ALA_LFOH [0,0,1,0,1,0|2,0,0]=4 171 B5R0.5 C[C@@H](C(=O)O)O 2OP [0,0,1,0,1,0|2,0,0]=4 172 B5R0.5 C[C@@H](C(=O)O)[NH-] ALA_LEO2H [0,0,1,0,1,0|2,0,0]=4 173 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [0,0,1,0,1,0|2,0,0]=4 174 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [0,0,1,0,1,0|2,0,0]=4 175 B5R0.5 C[C@H](C(=O)C)O HBR [0,0,1,0,1,0|1,0,0]=3 176 B5R0.5 C[C@H](C(=O)O)F 4LT [0,0,1,0,1,0|2,0,0]=4 177 B5R0.5 C[C@H](C(=O)O)N DAL [0,0,1,0,1,0|2,0,0]=4 178 B5R0.5 C[C@H](C(=O)O)O DLA [0,0,1,0,1,0|2,0,0]=4 179 B5R0.5 C[C@H](C(=O)O)O LAC [0,0,1,0,1,0|2,0,0]=4