0 B5R0.1 C=CCS(C)=O HMDB0112254 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 CC(C)CC=O HMDB0006478 [0,0,0,0,0,0|1,0,0]=1 2 B5R0.1 CCOC(C)=O HMDB0031217 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)C=O HMDB0001167 [1,0,0,0,0,0|1,0,1]=3 4 B4R0.1 CC(N)CN HMDB0013136 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(O)CO HMDB0001881 [1,0,0,0,0,0|1,0,2]=4 6 B4R0.1 CN(C)C=O HMDB0001888 [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 O=CC(=O)O HMDB0000119 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.2 C=CCSC HMDB0031653 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.2 O=CCC=O HMDB0006112 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 C=C(C)CC(=O)O HMDB0170858 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.2 CC(=O)CC(=O)O HMDB0000060 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.2 CC(=O)CC(C)C HMDB0002939 [0,1,0,0,0,0|1,0,0]=2 13 B6R0.2 CC(C)=CC(=O)O HMDB0000509 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.2 CC(C)CC(=O)O HMDB0000718 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.2 CC(O)CC(=O)O HMDB0000357 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.2 CN(C)CC(=O)O HMDB0000092 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.2 C[C@@H](O)CC(=O)O HMDB0000011 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.2 C[C@H](O)CC(=O)O HMDB0000442 [0,1,0,0,0,0|2,0,0]=3 19 B6R1.2 CC1=CC=CO1 HMDB0013749 [0,0,0,1,0,0|1,0,2]=4 20 B3R0.1 C(=O)CCl HMDB0013860 [2,0,0,0,0,0|1,0,0]=3 21 B3R0.1 C=CC=O HMDB0041822 [2,0,0,0,0,0|0,0,2]=4 22 B3R0.2 CC(=O)O HMDB0000042 [2,0,0,0,0,0|1,0,1]=4 23 B3R0.2 CC(C)=O HMDB0001659 [2,0,0,0,0,0|0,0,1]=3 24 B3R0.2 CC(C)O HMDB0000863 [2,0,0,0,0,0|0,0,0]=2 25 B3R0.2 CN(C)C HMDB0000906 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.3 O=CC(O)CO HMDB0001051 [1,1,0,0,0,0|1,0,0]=3 27 B5R0.5 CC(=O)C(=O)O HMDB0000243 [1,1,0,0,0,0|1,0,1]=4 28 B5R0.5 CC(=O)C(C)O HMDB0003243 [1,1,0,0,0,0|1,0,0]=3 29 B5R0.5 CC(C)C(=O)O HMDB0001873 [1,1,0,0,0,0|0,0,0]=2 30 B5R0.5 C[C@@H](O)C(=O)O HMDB0000190 [1,1,0,0,0,0|1,0,0]=3 31 B5R0.5 C[C@@H](O)C(=O)O HMDB0001311 [1,1,0,0,0,0|1,0,0]=3 32 B5R0.5 C[C@H](N)C(=O)O HMDB0000161 [1,1,0,0,0,0|1,0,0]=3 33 B7R0.2 CC(CO)CC(=O)O HMDB0002011 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.2 CCC(O)CC(=O)O HMDB0000531 [0,2,0,0,0,0|2,0,0]=4 35 B7R0.2 O=C(O)CC(O)CO HMDB0000337 [0,2,0,0,0,0|2,0,0]=4 36 B7R0.9 CC(C)(O)CC(=O)O HMDB0000754 [0,2,0,0,0,0|1,0,0]=3 37 B7R0.9 C[As+](C)(C)CC(=O)[O-] HMDB0033206 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.9 C[N+](C)(C)CC(=O)[O-] HMDB0000043 [0,2,0,0,0,0|2,0,0]=4 39 B7R0.16 CC(C)C(=O)C(=O)O HMDB0000019 [0,2,0,0,0,0|1,0,0]=3 40 B7R0.16 CC(C)C(O)C(=O)O HMDB0000407 [0,2,0,0,0,0|1,0,0]=3 41 B7R0.16 CC(C)[C@H](N)C(=O)O HMDB0000883 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.16 CC(O)C(C)C(=O)O HMDB0000354 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O HMDB0000498 [0,2,0,0,0,0|2,0,0]=4 44 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HMDB0000167 [0,2,0,0,0,0|2,0,0]=4 45 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O HMDB0002453 [0,2,0,0,0,0|2,0,0]=4 46 B7R0.16 C[C@H](O)[C@H](N)C(=O)O HMDB0004041 [0,2,0,0,0,0|2,0,0]=4 47 B7R0.6 CC(=O)CCC(C)C HMDB0031549 [0,2,0,0,0,0|1,0,0]=3 48 B7R0.6 CC(C)CCC(=O)O HMDB0000689 [0,2,0,0,0,0|1,0,0]=3 49 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [0,1,0,1,0,0|0,0,0]=2