0 B8R0.8 CCCCC(O)C(=O)O HMDB0001624 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 CCCC[C@H](N)C(=O)O HMDB0001645 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 CSCCC(=O)C(=O)O HMDB0001553 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.8 CSCC[C@H](N)C(=O)O HMDB0000696 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.8 C[Se]CCC(N)C(=O)O HMDB0003966 [0,0,0,0,0,0|0,1,0]=1 5 B8R0.8 NCCC[C@H](N)C(=O)O HMDB0000214 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 CCCCCC(=O)O HMDB0000535 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 NCCCCC(=O)O HMDB0003355 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 NCCOCC(=O)O HMDB0060587 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.5 CCCC(=O)C(=O)O HMDB0001865 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.5 CCCC(O)C(=O)O HMDB0001863 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.5 CCC[C@@H](N)C(=O)O HMDB0013716 [1,0,0,0,0,0|0,0,0]=1 13 B7R0.5 CSC[C@H](N)C(=O)O HMDB0002108 [1,0,0,0,0,0|0,0,0]=1 14 B7R0.5 NC(CCS)C(=O)O HMDB0000742 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.5 NCCC(N)C(=O)O HMDB0002362 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.5 NCC[C@H](N)C(=O)O HMDB0006284 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.5 N[C@@H](CCO)C(=O)O HMDB0000719 [1,0,0,0,0,0|0,1,0]=2 18 B7R0.5 O=C(O)C(O)CCO HMDB0000360 [1,0,0,0,0,0|1,1,0]=3 19 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HMDB0003011 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.7 CC(CCC(=O)O)C(=O)O HMDB0000422 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.7 CS(=O)CCC(N)C(=O)O HMDB0002005 [0,1,0,0,0,0|0,0,1]=2 22 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HMDB0000641 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HMDB0000148 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HMDB0003339 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.7 O=C(O)CCC(O)C(=O)O HMDB0059655 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O HMDB0000606 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HMDB0000694 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.47 CC(CSCCN)C(=O)O HMDB0002169 [0,1,0,0,0,0|3,0,0]=4 29 B9R0.47 NC(CCCC=O)C(=O)O HMDB0001263 [0,1,0,0,0,0|1,0,1]=3 30 B9R0.47 NCCCC[C@H](N)C(=O)O HMDB0000182 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.6 O=C(O)C1CCCCN1 HMDB0000070 [0,0,0,1,0,0|1,0,0]=2 32 B9R1.35 O=C1CCC(C(=O)O)O1 HMDB0059743 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 HMDB0000267 [0,0,0,1,0,0|2,0,0]=3 34 B6R0.4 C=CCCC(=O)O HMDB0031602 [2,0,0,0,0,0|0,0,2]=4 35 B6R0.4 CCCCC(=O)O HMDB0000892 [2,0,0,0,0,0|0,0,0]=2 36 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.4 CSCCC(=O)O HMDB0001527 [2,0,0,0,0,0|0,0,0]=2 38 B6R0.4 NCCCC(=O)O HMDB0000112 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 O=C(O)CCCO HMDB0000710 [2,0,0,0,0,0|0,1,0]=3 40 B6R0.4 O=CCCC(=O)O HMDB0001259 [2,0,0,0,0,0|0,1,1]=4 41 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.3 CC(CN)C(=O)O HMDB0003911 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.3 CCC(=O)C(=O)O HMDB0000005 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.3 CCC(C)C(=O)O HMDB0002176 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.3 CCC(O)C(=O)O HMDB0000008 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [2,0,0,0,0,0|0,0,0]=2 47 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [2,0,0,0,0,0|0,0,0]=2 49 B6R0.3 C[C@@H](CN)C(=O)O HMDB0002166 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.3 C[C@@H](CO)C(=O)O HMDB0000023 [2,0,0,0,0,0|1,1,0]=4 51 B6R0.3 C[C@H](CO)C(=O)O HMDB0000336 [2,0,0,0,0,0|1,1,0]=4 52 B6R0.3 NC[C@H](N)C(=O)O HMDB0002006 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.3 N[C@@H](CO)C(=O)O HMDB0000187 [2,0,0,0,0,0|0,1,0]=3 54 B6R0.3 N[C@@H](CS)C(=O)O HMDB0000574 [2,0,0,0,0,0|0,0,0]=2 55 B6R0.3 N[C@H](CO)C(=O)O HMDB0003406 [2,0,0,0,0,0|0,1,0]=3 56 B6R0.3 O=C(O)C(=O)CS HMDB0001368 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.3 O=C(O)C(O)CS HMDB0002127 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.3 O=C(O)[C@@H](O)CO HMDB0006372 [2,0,0,0,0,0|1,1,0]=4 59 B6R0.3 O=C(O)[C@H](O)CO HMDB0000139 [2,0,0,0,0,0|1,1,0]=4 60 B8R0.7 CCCCCC[N+](=O)O HMDB0013812 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.28 CC(=O)CCCC(C)=O HMDB0029165 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.28 CC(O)CCCC(=O)O HMDB0000525 [1,1,0,0,0,0|1,0,0]=3 63 B8R0.28 O=C(O)CCCC(=O)O HMDB0000661 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.2 CCC(=O)C(C)C(=O)O HMDB0000408 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.2 CCC(C)C(=O)C(=O)O HMDB0000491 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O HMDB0000317 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HMDB0000557 [1,1,0,0,0,0|0,0,0]=2 68 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HMDB0000172 [1,1,0,0,0,0|0,0,0]=2 69 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO HMDB0000943 [1,1,0,0,0,0|1,1,0]=4 70 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO HMDB0000613 [1,1,0,0,0,0|1,1,0]=4 71 B8R0.23 CC(C)CC(=O)C(=O)O HMDB0000695 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.23 CC(C)CC(O)C(=O)O HMDB0000665 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.23 CC(C)C[C@H](N)C(=O)O HMDB0000687 [1,1,0,0,0,0|0,0,0]=2 74 B8R0.23 CC(C)C[C@H](O)C(=O)O HMDB0000746 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.23 NC(=O)C[C@H](N)C(=O)O HMDB0000168 [1,1,0,0,0,0|0,1,1]=4 76 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HMDB0000191 [1,1,0,0,0,0|0,1,1]=4 77 B8R0.23 N[C@H](CC(=O)O)C(=O)O HMDB0006483 [1,1,0,0,0,0|0,1,1]=4 78 B10R0.82 NC[C@H](O)CC[C@H](N)C(=O)O HMDB0000450 [0,2,0,0,0,0|1,0,0]=3 79 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O HMDB0062660 [0,2,0,0,0,0|2,0,0]=4 80 B10R0.88 CSCC[C@@H](NC=O)C(=O)O HMDB0001015 [0,2,0,0,0,0|0,0,0]=2 81 B10R0.75 CCCCCCC(N)C(=O)O HMDB0000991 [0,2,0,0,0,0|1,0,0]=3 82 B10R0.75 CNCCCC[C@H](N)C(=O)O HMDB0002038 [0,2,0,0,0,0|1,0,0]=3 83 B10R0.98 NC(CCCC(=O)O)C(=O)O HMDB0000510 [0,2,0,0,0,0|1,0,1]=4 84 B8R1.7 O=C(O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.7 O=C(O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|2,0,0]=4 86 B10R1.13 O=C(O)C1CCC(O)CC1 HMDB0001988 [0,1,0,1,0,0|2,0,0]=4