0 B8R0.28 CC(=CCCC(=O)C)C 0VT [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=O)CCCC(=O)O 4AT [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(C)CNCC(=O)O I4G [0,0,0,0,0,0|3,0,0]=3 3 B7R0.4 C(CCO)CC(=O)O SHO [1,0,0,0,0,0|3,0,0]=4 4 B7R0.4 C(CC[NH3+])CC(=O)O DAV [1,0,0,0,0,0|3,0,0]=4 5 B7R0.4 C(C[O-])CO[P+](=O)[O-] P1P [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 CCCCCC(=O)C HTX [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCCCCC(=O)O 6NA [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCCCOC(=O)C 8JZ [1,0,0,0,0,0|0,0,0]=1 9 B9R0.1 CC[C@H](C)C\C=C\C(=O)O 39Y [0,1,0,0,0,0|2,0,1]=4 10 B9R0.1 C\C=C(/C)\CCC=C(C)C 650 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N OAS [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HLX [0,1,0,0,0,0|2,0,0]=3 13 B9R0.7 CC(C)[C@@H](CCC(=O)O)N 0JT [0,1,0,0,0,0|2,0,0]=3 14 B9R0.7 C[C@H]([C@@H](CCC(=O)O)O)N KAH [0,1,0,0,0,0|3,0,0]=4 15 B9R0.7 C[C@H]([C@H](CCC(=O)O)N)O EKE [0,1,0,0,0,0|3,0,0]=4 16 B9R0.53 CC(C)C[C@@H](CC(=O)O)N B3L [0,1,0,0,0,0|2,0,0]=3 17 B9R0.56 CC(=O)CCC[N+](C)(C)C CHH [0,1,0,0,0,0|2,0,0]=3 18 B9R0.56 CC(=O)CCC[N+](C)(C)C NWB [0,1,0,0,0,0|2,0,0]=3 19 B9R0.56 CC(=O)OCC[N+](C)(C)C ACH [0,1,0,0,0,0|1,0,0]=2 20 B9R0.56 CC(=O)SCC[N+](C)(C)C AT3 [0,1,0,0,0,0|1,1,0]=3 21 B9R0.56 C[N+](C)(C)CCCC(=O)O NM2 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.56 C[N+](C)(C)CCOC(=O)N CCE [0,1,0,0,0,0|2,0,0]=3 23 B9R1.35 C[C@@H]1C[C@H](NC1)C(=O)O MP8 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.85 C1CC1CNCC(=O)O NMC [0,0,0,1,0,0|3,0,0]=4 25 B7R0.6 CC(=O)CCC(=O)O SHF [0,0,0,0,1,0|2,0,1]=4 26 B7R0.6 CC(C)CCC(=O)O 4MV [0,0,0,0,1,0|1,0,0]=2 27 B7R0.6 CC(C)COC(=O)O IBU [0,0,0,0,1,0|1,0,0]=2 28 B7R0.6 CC(C)NCC(=O)O IPG [0,0,0,0,1,0|2,0,0]=3 29 B7R0.6 CS(C)CCC(=O)O DQY [0,0,0,0,1,0|2,0,0]=3 30 B7R0.6 C[C@@H](CCC(=O)O)N 0W6 [0,0,0,0,1,0|2,0,0]=3 31 B7R0.6 C[C@H](CC[C@@H](C)O)O HX2 [0,0,0,0,1,0|1,0,2]=4 32 B9R0.55 CC(C)CCCCC(=O)O 6F5 [0,0,0,0,0,1|2,0,0]=3 33 B6R0.4 C(CC(=O)O)CBr 0A5 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.4 C(CC(=O)O)CN ABU [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 CC(C)CCC=O MOP [2,0,0,0,0,0|0,0,0]=2 36 B6R0.4 CCCCC(=O)O LEA [2,0,0,0,0,0|1,0,0]=3 37 B6R0.4 CCCCC(=O)O PEI [2,0,0,0,0,0|1,0,0]=3 38 B6R0.4 CCCOC(=O)C 4PA [2,0,0,0,0,0|0,0,0]=2 39 B6R0.4 CCNCC(=O)O 2JC [2,0,0,0,0,0|2,0,0]=4 40 B6R0.6 C(CCO)CC=O GAQ [2,0,0,0,0,0|2,0,0]=4 41 B6R0.6 CCCCCCC HP6 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.6 CCCCNC=O YIV [2,0,0,0,0,0|1,0,0]=3 43 B8R0.7 C(CCC(=O)O)CCN ACA [1,1,0,0,0,0|2,0,0]=4 44 B8R0.7 C(CCC(=O)O)CCN AHA [1,1,0,0,0,0|2,0,0]=4 45 B8R0.7 CC(C)CCCCCO MHN [1,1,0,0,0,0|1,0,1]=4 46 B8R0.7 CCCCCCC(=O)N HPN [1,1,0,0,0,0|2,0,0]=4 47 B8R0.7 CCCCCCC(=O)O SHV [1,1,0,0,0,0|2,0,0]=4 48 B8R0.8 CCCC[C@@H](C(=O)N)N NLN [1,1,0,0,0,0|2,0,0]=4 49 B8R0.8 CCCC[C@@H](C(=O)O)N NLE [1,1,0,0,0,0|2,0,0]=4 50 B8R0.8 CCCC[C@H](C(=O)N)O HYH [1,1,0,0,0,0|2,0,0]=4 51 B8R0.8 CCCC[C@H](C(=O)O)N DNE [1,1,0,0,0,0|2,0,0]=4 52 B8R0.9 CC(=O)NC[C@@H](CO)N 1HD [1,1,0,0,0,0|2,0,0]=4 53 B8R0.9 CC(=O)OC[C@@H](CO)O JIM [1,1,0,0,0,0|1,0,0]=3 54 B8R0.9 CC[C@H](CCC(=O)O)N VIG [1,1,0,0,0,0|2,0,0]=4 55 B8R0.21 CCCCO[P@@](=O)(C)O CVX [1,1,0,0,0,0|1,0,0]=3 56 B8R0.21 C[N+](C)(C)CCCC=O 2ZO [1,1,0,0,0,0|2,0,0]=4 57 B8R0.23 CC(C)CC(=O)C(=O)O COI [0,1,0,0,1,0|1,0,1]=4 58 B8R0.23 CC(C)CC(C(=O)O)Cl HRI [0,1,0,0,1,0|1,0,0]=3 59 B8R0.23 CC(C)C[C@@H](C(=O)C)N LEM [0,1,0,0,1,0|0,0,0]=2 60 B8R0.23 CC(C)C[C@@H](C(=O)N)N CLE [0,1,0,0,1,0|1,0,0]=3 61 B8R0.23 CC(C)C[C@@H](C(=O)N)N NLW [0,1,0,0,1,0|1,0,0]=3 62 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl 03H [0,1,0,0,1,0|1,0,0]=3 63 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU [0,1,0,0,1,0|1,0,0]=3 64 B8R0.23 CC(C)C[C@@H](C(=O)O)N LEU_LFOH [0,1,0,0,1,0|1,0,0]=3 65 B8R0.23 CC(C)C[C@@H](C(=O)O)O 1LU [0,1,0,0,1,0|1,0,0]=3 66 B8R0.23 CC(C)C[C@@H](C(=O)O)O OLE [0,1,0,0,1,0|1,0,0]=3 67 B8R0.23 CC(C)C[C@@H](C(=O)O)[NH-] LEU_LEO2H [0,1,0,0,1,0|1,0,0]=3 68 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH-] LEU_LEO2 [0,1,0,0,1,0|1,0,0]=3 69 B8R0.23 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU_LFZW [0,1,0,0,1,0|1,0,0]=3 70 B8R0.23 CC(C)C[C@H](C(=O)O)N DLE [0,1,0,0,1,0|1,0,0]=3 71 B8R0.23 CC(C)C[C@H](C(=O)O)O 2RH [0,1,0,0,1,0|1,0,0]=3 72 B8R0.23 CC(C)[C@@H](CC(=O)O)N 1VR [0,1,0,0,1,0|1,0,0]=3 73 B8R0.23 C[C@@H](CC(C)C)C(=O)O 7GA [0,1,0,0,1,0|1,0,0]=3 74 B8R0.23 C[C@H]([C@@H](CC(=O)O)N)O B3T [0,1,0,0,1,0|2,0,0]=4 75 B8R0.29 CC(C)CCP(=O)(O)O IPI [0,1,0,0,1,0|2,0,0]=4 76 B8R0.29 CC(C)CO[P@@](=O)(C)O VR [0,1,0,0,1,0|1,0,0]=3 77 B10R0.55 CC[C@H](C)CCCCC(=O)O 6FH [0,1,0,0,0,1|2,0,0]=4 78 B10R0.13 CC(C)C[C@@H]([C@@H](C(=O)O)O)N L3O [0,2,0,0,0,0|2,0,0]=4 79 B10R0.13 CC(C)C[C@@H]([C@H](C(=C)C)O)N 17U [0,2,0,0,0,0|2,0,0]=4 80 B10R0.13 CC(C)C[C@H]([C@@H](C(=O)O)O)N L2O [0,2,0,0,0,0|2,0,0]=4 81 B10R0.92 CC(C)(C)CCC(=O)C(=O)O MHE [0,2,0,0,0,0|2,0,0]=4 82 B10R0.31 CC(C)(C)C[C@H](CC(=O)O)O GVM [0,2,0,0,0,0|2,0,0]=4 83 B8R1.7 C1CCC(C1)C(=O)O IQ0 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.22 C1CCC(=O)NCC1 ICC [1,0,0,1,0,0|1,0,0]=3 85 B8R1.22 C1CCC(=O)OCC1 ECE [1,0,0,1,0,0|0,0,0]=2 86 B8R1.3 CC1CCC(CC1)N 2MH [0,0,0,1,1,0|1,0,1]=4 87 B8R1.3 CC1CCC(CC1)N 4JU [0,0,0,1,1,0|1,0,1]=4 88 B10R1.113 C[C@@H]1CCCN(C1)C(=O)C 1P3 [0,0,0,1,0,1|1,0,0]=3 89 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCP [0,0,0,1,0,1|2,0,0]=4 90 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O 3A0 [0,0,0,1,0,1|2,0,0]=4 91 B6R0.2 CC(=O)CC(=O)C P2D [0,0,0,0,2,0|1,0,1]=4 92 B6R0.2 CC(C)CC(=O)O IVA [0,0,0,0,2,0|1,0,0]=3 93 B6R0.2 CC(C)C[C@@H](C)N 2LU [0,0,0,0,2,0|1,0,1]=4 94 B6R0.2 CN(C)CC(=O)O DMG [0,0,0,0,2,0|2,0,0]=4 95 B6R0.2 CS(C)CC(=O)O 313 [0,0,0,0,2,0|2,0,0]=4 96 B6R0.2 C[C@@H](CC(=O)O)N B3A [0,0,0,0,2,0|2,0,0]=4 97 B6R0.2 C[C@@H](CC(=O)O)O 3HL [0,0,0,0,2,0|2,0,0]=4 98 B6R0.2 C[C@H](CC(=O)O)O 3HR [0,0,0,0,2,0|2,0,0]=4