0 B7R0.9 CC(C)(C)CC(=O)O DTG [0,0,0,0,0,0|1,0,1]=2 1 B7R0.9 CC(C)(C)NC(=O)O TBB [0,0,0,0,0,0|2,0,1]=3 2 B7R0.9 CC(C)(C)OC(=O)O BOC [0,0,0,0,0,0|2,0,1]=3 3 B7R0.9 CC(C)(C)OC(=O)O OTB [0,0,0,0,0,0|2,0,1]=3 4 B7R0.9 C[N+](C)(C)CC(=O)O BET [0,0,0,0,0,0|0,0,1]=1 5 B6R0.2 C(C(=O)[O-])C(=O)[O-] MLI [1,0,0,0,0,0|3,0,0]=4 6 B6R0.2 CC(=O)CC(=O)C P2D [1,0,0,0,0,0|3,0,0]=4 7 B6R0.2 CC(=O)CC(=O)O AAE [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 CC(=O)CC(=O)O LIN [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 CC(C)CC(=O)O IVA [1,0,0,0,0,0|1,0,1]=3 10 B6R0.2 CN(C)CC(=O)O DMG [1,0,0,0,0,0|0,0,2]=3 11 B6R0.2 CS(C)CC(=O)O 313 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 C[C@@H](CC(=O)O)N B3A [1,0,0,0,0,0|2,0,1]=4 13 B6R0.2 C[C@@H](CC(=O)O)O 3HL [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 C[C@H](CC(=O)O)O 3HR [1,0,0,0,0,0|2,0,1]=4 15 B6R0.5 CC(C)(C)CCN 2G3 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.5 CC(C)(C)CCO 33D [1,0,0,0,0,0|1,0,2]=4 17 B6R0.5 CC(C)(C)OC=O TBF [1,0,0,0,0,0|2,0,0]=3 18 B6R0.5 C[As](C)(C)CCO 1Y8 [1,0,0,0,0,0|0,1,2]=4 19 B6R0.5 C[N+](C)(C)CC=O BTL [1,0,0,0,0,0|0,0,0]=1 20 B6R0.5 C[N+](C)(C)CCO CHT [1,0,0,0,0,0|0,0,2]=3 21 B6R0.5 C[N+](C)(C)CCS ETM [1,0,0,0,0,0|0,1,1]=3 22 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N BUG [0,1,0,0,0,0|1,0,1]=3 23 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N HV5 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N TBG [0,1,0,0,0,0|1,0,1]=3 25 B8R0.27 CC(C)(C)[C@H](C(=O)O)N TDD [0,1,0,0,0,0|1,0,1]=3 26 B8R0.27 CC(C)([C@@H](C(=O)O)N)O HVA [0,1,0,0,0,0|2,0,1]=4 27 B8R0.27 CC(C)([C@@H](C(=O)O)N)S LE1 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.27 CC(C)([C@@H](C(=O)O)O)O 89V [0,1,0,0,0,0|2,0,1]=4 29 B8R0.27 CC(C)([C@H](C(=O)O)N)O DHV [0,1,0,0,0,0|2,0,1]=4 30 B8R0.27 CC(C)([C@H](C(=O)O)N)S LEI [0,1,0,0,0,0|2,0,1]=4 31 B6R0.7 CC(C)(C(=O)O)Br B2P [0,0,0,0,1,0|2,0,1]=4 32 B6R0.7 CC(C)(C(=O)O)N AIB [0,0,0,0,1,0|2,0,1]=4 33 B6R0.7 CC(C)(C)C(=O)N TAY [0,0,0,0,1,0|2,0,0]=3 34 B6R0.7 CC(C)(C)C(=O)O PIV [0,0,0,0,1,0|1,0,1]=3 35 B5R0.1 CCCC(=O)C PNH [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 CCCC(=O)N BMD [2,0,0,0,0,0|2,0,0]=4 37 B5R0.1 CCCC(=O)O BUA [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 CCC[N+](=O)[O-] N1P [2,0,0,0,0,0|2,0,0]=4 39 B5R0.1 CNCC(=O)O MGY [2,0,0,0,0,0|0,0,2]=4 40 B5R0.1 CNCC(=O)O SAR [2,0,0,0,0,0|0,0,2]=4 41 B5R0.1 CSCC(=O)[O-] MTG [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 C[C@H](CC=O)O 5KO [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 C[Se]CC(=O)[O-] MSF [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 C[Te]CC(=O)[O-] MTD [2,0,0,0,0,0|1,0,0]=3 45 B5R0.4 CC(C)(C)CN NPT [2,0,0,0,0,0|2,0,0]=4 46 B5R0.4 CC[Si](C)(C)C CEQ [2,0,0,0,0,0|1,0,1]=4 47 B7R0.16 CC(C)[C@@H](C(=O)C)N VAF [1,1,0,0,0,0|2,0,0]=4 48 B7R0.16 CC(C)[C@@H](C(=O)N)N VLM [1,1,0,0,0,0|2,0,0]=4 49 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL [1,1,0,0,0,0|1,0,1]=4 50 B7R0.16 CC(C)[C@@H](C(=O)O)N VAL_LFOH [1,1,0,0,0,0|1,0,1]=4 51 B7R0.16 CC(C)[C@@H](C(=O)O)O LHV [1,1,0,0,0,0|1,0,1]=4 52 B7R0.16 CC(C)[C@@H](C(=O)O)[NH-] VAL_LEO2H [1,1,0,0,0,0|1,0,1]=4 53 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH-] VAL_LEO2 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.16 CC(C)[C@@H](C(=O)[O-])[NH3+] VAL_LFZW [1,1,0,0,0,0|1,0,0]=3 55 B7R0.16 CC(C)[C@H](C(=O)O)N DVA [1,1,0,0,0,0|1,0,1]=4 56 B7R0.16 CC(C)[C@H](C(=O)O)O VAD [1,1,0,0,0,0|1,0,1]=4 57 B7R0.16 C[C@@H](C(=O)O)N(C)C LAL [1,1,0,0,0,0|0,0,2]=4 58 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])O THR_LEO2 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH-])[O-] THR_LEO2_DHG1 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR_LFZW [1,1,0,0,0,0|2,0,0]=4 61 B7R0.16 C[C@H]([C@@H](C(=O)[O-])[NH3+])[O-] THR_LFZW_DHG1 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.13 CC(C)(C(=O)O)NC 3WS [0,1,0,0,1,0|1,0,1]=4 63 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N 0JY [0,1,0,0,0,1|1,0,1]=4 64 B9R0.25 CC(C)(C)[C@@H](C(=O)NC)N BUM [0,2,0,0,0,0|2,0,0]=4 65 B9R0.32 CC(C)(CO)[C@H](C(=O)[O-])O PAF [0,2,0,0,0,0|1,0,0]=3 66 B9R0.32 CCC(C)(C)[C@@H](C(=O)O)N I2M [0,2,0,0,0,0|1,0,1]=4 67 B9R0.72 CC[C@@H](C(=O)N)[N+](C)(C)C 6EM [0,2,0,0,0,0|1,0,0]=3 68 B9R0.58 C[C@@](CCO)(CC(=O)[O-])O MEV [0,2,0,0,0,0|2,0,0]=4 69 B5R0.5 CC(=O)N(C)C 5Y9 [1,0,0,0,1,0|1,0,1]=4 70 B5R0.5 CC(=[NH2+])C(=O)[O-] NAK [1,0,0,0,1,0|2,0,0]=4 71 B5R0.5 CC(C)C(=O)N IBO [1,0,0,0,1,0|2,0,0]=4 72 B5R0.5 CC(C)C(=O)O ALQ [1,0,0,0,1,0|1,0,1]=4 73 B5R0.5 CC(C)C(=O)O ISB [1,0,0,0,1,0|1,0,1]=4 74 B5R0.5 CC(C)[N+](=O)[O-] NIS [1,0,0,0,1,0|2,0,0]=4 75 B5R0.5 C[C@@H](C(=O)[O-])[NH-] ALA_LEO2 [1,0,0,0,1,0|2,0,0]=4 76 B5R0.5 C[C@@H](C(=O)[O-])[NH3+] ALA_LFZW [1,0,0,0,1,0|2,0,0]=4 77 B7R0.6 CC(C)CCC(=O)O 4MV [1,0,0,0,0,1|1,0,1]=4 78 B7R0.6 CC(C)COC(=O)O IBU [1,0,0,0,0,1|1,0,1]=4 79 B7R0.6 CC(C)NCC(=O)O IPG [1,0,0,0,0,1|1,0,1]=4 80 B7R0.6 CS(C)CCC(=O)O DQY [1,0,0,0,0,1|1,0,1]=4 81 B9R0.56 CC(=O)CCC[N+](C)(C)C CHH [0,0,0,0,0,2|1,0,0]=3 82 B9R0.56 CC(=O)CCC[N+](C)(C)C NWB [0,0,0,0,0,2|1,0,0]=3 83 B9R0.56 CC(=O)OCC[N+](C)(C)C ACH [0,0,0,0,0,2|1,0,0]=3 84 B9R0.56 CC(=O)SCC[N+](C)(C)C AT3 [0,0,0,0,0,2|1,0,0]=3 85 B9R0.56 C[N+](C)(C)CCCC(=O)O NM2 [0,0,0,0,0,2|0,0,1]=3 86 B9R0.56 C[N+](C)(C)CCCP(=O)O RTK [0,0,0,0,0,2|1,0,1]=4 87 B9R0.56 C[N+](C)(C)CCOC(=O)N CCE [0,0,0,0,0,2|1,0,0]=3 88 B9R0.56 C[N+](C)(C)NCCC(=O)O REE [0,0,0,0,0,2|0,0,1]=3