0 B8R0.9 C=CC(N)CCC(=O)O HMDB0015212 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.9 NCC(=O)CCC(=O)O HMDB0001149 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CCCCCC(=O)O HMDB0000535 [1,0,0,0,0,0|0,0,2]=3 3 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 NCCCCC(=O)O HMDB0003355 [1,0,0,0,0,0|1,0,1]=3 5 B7R0.4 NCCOCC(=O)O HMDB0060587 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.6 CC(=O)CCC(=O)O HMDB0000720 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.6 CC(=O)CCC(C)C HMDB0031549 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.6 CC(C)CCC(=O)O HMDB0000689 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.6 N=C(N)NCC(=O)O HMDB0000128 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.6 O=C(O)CCC(=O)O HMDB0000254 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.7 CC(=O)OC[C@H](N)C(=O)O HMDB0003011 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.7 CC(CCC(=O)O)C(=O)O HMDB0000422 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.7 CS(=O)CCC(N)C(=O)O HMDB0002005 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.7 NC(=O)CC[C@H](N)C(=O)O HMDB0000641 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O HMDB0000148 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.7 N[C@H](CCC(=O)O)C(=O)O HMDB0003339 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.7 O=C(O)CCC(=O)C(=O)O HMDB0000208 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.7 O=C(O)CCC(O)C(=O)O HMDB0059655 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O HMDB0000606 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HMDB0000694 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.23 O=C(O)CC(O)C(O)CO HMDB0059753 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 HMDB0000725 [0,0,0,1,0,0|2,0,1]=4 23 B7R0.2 CC(CO)CC(=O)O HMDB0002011 [0,0,0,0,1,0|2,0,1]=4 24 B7R0.2 CCC(O)CC(=O)O HMDB0000531 [0,0,0,0,1,0|1,0,2]=4 25 B7R0.2 O=C(O)CC(O)CO HMDB0000337 [0,0,0,0,1,0|2,0,1]=4 26 B6R0.4 C=CCCC(=O)O HMDB0031602 [2,0,0,0,0,0|0,0,0]=2 27 B6R0.4 CCCCC(=O)O HMDB0000892 [2,0,0,0,0,0|0,0,1]=3 28 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CSCCC(=O)O HMDB0001527 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 NCCCC(=O)O HMDB0000112 [2,0,0,0,0,0|0,0,0]=2 31 B6R0.4 O=C(O)CCCO HMDB0000710 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.4 O=CCCC(=O)O HMDB0001259 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.6 C=CCSCC=C HMDB0036491 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|0,0,2]=4 35 B8R0.28 CC(=O)CCCC(C)=O HMDB0029165 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.28 CC(O)CCCC(=O)O HMDB0000525 [1,1,0,0,0,0|0,0,2]=4 37 B8R0.28 N=C(O)NCCC(=O)O HMDB0000026 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.28 O=C(O)CCCC(=O)O HMDB0000661 [1,1,0,0,0,0|1,0,0]=3 39 B8R0.28 O=C(O)CNCC(=O)O HMDB0011753 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.28 O=C(O)CSCC(=O)O HMDB0042032 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.23 CC(C)CC(O)C(=O)O HMDB0000665 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.23 CC(C)C[C@H](N)C(=O)O HMDB0000687 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.23 CC(C)C[C@H](O)C(=O)O HMDB0000746 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.23 NC(=O)C[C@H](N)C(=O)O HMDB0000168 [1,1,0,0,0,0|1,0,1]=4 45 B10R0.98 NC(CCCC(=O)O)C(=O)O HMDB0000510 [0,1,0,0,0,1|1,0,0]=3 46 B10R0.98 O=C(O)CCCC(O)C(=O)O HMDB0000321 [0,1,0,0,0,1|2,0,0]=4 47 B10R0.84 CCC(CCC(=O)O)C(=O)O HMDB0059738 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O HMDB0062660 [0,2,0,0,0,0|1,0,0]=3 49 B10R0.96 C[C@@H](CCC(=O)O)CC(=O)O HMDB0000555 [0,2,0,0,0,0|1,0,1]=4 50 B10R0.96 O=C(O)CCC(O)CC(=O)O HMDB0000345 [0,2,0,0,0,0|1,0,1]=4 51 B8R1.7 O=C(O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.7 O=C(O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|1,0,1]=4 53 B6R0.2 C=C(C)CC(=O)O HMDB0170858 [1,0,0,0,1,0|1,0,1]=4 54 B6R0.2 CC(C)CC(=O)O HMDB0000718 [1,0,0,0,1,0|1,0,1]=4 55 B6R0.2 CC(O)CC(=O)O HMDB0000357 [1,0,0,0,1,0|1,0,1]=4 56 B6R0.2 C[C@@H](O)CC(=O)O HMDB0000011 [1,0,0,0,1,0|1,0,1]=4 57 B6R0.2 C[C@H](O)CC(=O)O HMDB0000442 [1,0,0,0,1,0|1,0,1]=4 58 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [0,0,0,0,2,0|0,0,2]=4 59 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [0,0,0,0,2,0|0,0,2]=4 60 B6R0.3 NC[C@H](N)C(=O)O HMDB0002006 [0,0,0,0,2,0|1,0,1]=4 61 B6R0.3 N[C@@H](CO)C(=O)O HMDB0000187 [0,0,0,0,2,0|1,0,1]=4 62 B6R0.3 N[C@@H](CS)C(=O)O HMDB0000574 [0,0,0,0,2,0|1,0,1]=4 63 B6R0.3 N[C@H](CO)C(=O)O HMDB0003406 [0,0,0,0,2,0|1,0,1]=4