0 B6R0.2 C=C(C)CC(=O)O HMDB0170858 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=O)CC(=O)O HMDB0000060 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 CC(=O)CC(C)C HMDB0002939 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.2 CC(C)=CC(=O)O HMDB0000509 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(C)CC(=O)O HMDB0000718 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(O)CC(=O)O HMDB0000357 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CN(C)CC(=O)O HMDB0000092 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.2 C[C@@H](O)CC(=O)O HMDB0000011 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.2 C[C@H](O)CC(=O)O HMDB0000442 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 O=C(O)CC(=O)O HMDB0000691 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C=CCS(C)=O HMDB0112254 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CC(C)CC=O HMDB0006478 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 CCCC(=O)O HMDB0000039 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CCCC(C)=O HMDB0034235 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CCOC(C)=O HMDB0031217 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CNCC(=O)O HMDB0000271 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 NCCC(=O)O HMDB0000056 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 O=C(O)CCO HMDB0000700 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.2 CC(CO)CC(=O)O HMDB0002011 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.2 CCC(O)CC(=O)O HMDB0000531 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.2 O=C(O)CC(O)CO HMDB0000337 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.9 CC(C)(O)CC(=O)O HMDB0000754 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.9 C[As+](C)(C)CC(=O)[O-] HMDB0033206 [0,1,0,0,0,0|1,1,0]=3 23 B7R0.9 C[N+](C)(C)CC(=O)[O-] HMDB0000043 [0,1,0,0,0,0|1,0,1]=3 24 B7R0.16 CC(=O)C(C)C(=O)O HMDB0003771 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.16 CC(C)C(=O)C(=O)O HMDB0000019 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.16 CC(C)C(O)C(=O)O HMDB0000407 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.16 CC(C)[C@H](N)C(=O)O HMDB0000883 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.16 CC(O)C(C)C(=O)O HMDB0000354 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O HMDB0000498 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HMDB0000167 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O HMDB0002453 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.16 C[C@H](O)[C@H](N)C(=O)O HMDB0004041 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,0,0,1,0,0|3,0,0]=4 34 B5R0.5 CC(=O)C(=O)O HMDB0000243 [0,0,0,0,1,0|3,0,0]=4 35 B5R0.5 CC(=O)C(C)O HMDB0003243 [0,0,0,0,1,0|3,0,0]=4 36 B5R0.5 CC(C)C(=O)O HMDB0001873 [0,0,0,0,1,0|2,0,0]=3 37 B5R0.5 C[C@@H](O)C(=O)O HMDB0000190 [0,0,0,0,1,0|3,0,0]=4 38 B5R0.5 C[C@@H](O)C(=O)O HMDB0001311 [0,0,0,0,1,0|3,0,0]=4 39 B5R0.5 C[C@H](N)C(=O)O HMDB0000161 [0,0,0,0,1,0|3,0,0]=4 40 B7R0.6 CC(=O)CCC(=O)O HMDB0000720 [0,0,0,0,0,1|3,0,0]=4 41 B7R0.6 CC(=O)CCC(C)C HMDB0031549 [0,0,0,0,0,1|2,0,0]=3 42 B7R0.6 CC(=O)NCC(=O)O HMDB0000532 [0,0,0,0,0,1|3,0,0]=4 43 B7R0.6 CC(C)CCC(=O)O HMDB0000689 [0,0,0,0,0,1|2,0,0]=3 44 B4R0.1 CC(=O)C=O HMDB0001167 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 CC(=O)CN HMDB0002134 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.1 CC(=O)NO HMDB0014691 [2,0,0,0,0,0|2,0,0]=4 48 B4R0.1 CC(N)CN HMDB0013136 [2,0,0,0,0,0|1,0,1]=4 49 B4R0.1 CCC(=O)O HMDB0000237 [2,0,0,0,0,0|1,0,0]=3 50 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|1,0,0]=3 51 B4R0.1 CN(C)C=O HMDB0001888 [2,0,0,0,0,0|0,0,0]=2 52 B4R0.1 CNC(=N)N HMDB0001522 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.1 NC(=O)NO HMDB0015140 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.1 NCC(=O)O HMDB0000123 [2,0,0,0,0,0|1,0,0]=3 55 B4R0.1 O=C(O)CO HMDB0000115 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.2 C=CCSC HMDB0031653 [2,0,0,0,0,0|2,0,0]=4 57 B4R0.2 O=CCC=O HMDB0006112 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 CCCC(=O)CO HMDB0059678 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.3 CCC(C)C(=O)O HMDB0002176 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.3 CCC(O)C(=O)O HMDB0000008 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.3 CC[C@@H](N)C(=O)O HMDB0000650 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.3 CC[C@H](C)C(=O)O HMDB0033742 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.3 CC[C@H](N)C(=O)O HMDB0000452 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.4 CCCCC(=O)O HMDB0000892 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.4 CSCCC(=O)O HMDB0001527 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.4 NCCCC(=O)O HMDB0000112 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.4 O=C(O)CCCO HMDB0000710 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.7 CC(C)(N)C(=O)O HMDB0001906 [0,1,0,0,1,0|2,0,0]=4 71 B6R0.7 CC(C)(O)C(=O)O HMDB0000729 [0,1,0,0,1,0|2,0,0]=4 72 B8R0.23 CC(C)CC(=O)C(=O)O HMDB0000695 [0,1,0,0,0,1|2,0,0]=4 73 B8R0.23 CC(C)CC(O)C(=O)O HMDB0000665 [0,1,0,0,0,1|2,0,0]=4 74 B8R0.23 CC(C)C[C@H](N)C(=O)O HMDB0000687 [0,1,0,0,0,1|2,0,0]=4 75 B8R0.23 CC(C)C[C@H](O)C(=O)O HMDB0000746 [0,1,0,0,0,1|2,0,0]=4 76 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O HMDB0000317 [0,2,0,0,0,0|2,0,0]=4 77 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HMDB0000557 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HMDB0000172 [0,2,0,0,0,0|2,0,0]=4 79 B8R0.27 CC(C)(O)[C@@H](O)C(=O)O HMDB0012141 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.27 CC(C)(S)C(N)C(=O)O HMDB0014997 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.18 CN1CC(=O)NC1=N HMDB0000562 [0,1,0,1,0,0|0,0,1]=3 82 B8R1.18 CN1CC(=O)NC1=O HMDB0003646 [0,1,0,1,0,0|0,0,1]=3