0 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.9 C[N+](C)(C)CC([O-])=O HMDB0000043 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.2 CC(C)CC(C)=O HMDB0002939 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.2 CC(C)OC(C)=O HMDB0031241 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.2 CC(N)CC(O)=O HMDB0031654 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 CC(O)CC(O)=O HMDB0000357 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.2 CC(S)CC(C)=O HMDB0032376 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.5 C[As+](C)(C)CCO HMDB0032683 [1,0,0,0,0,0|0,1,2]=4 21 B6R0.5 C[N+](C)(C)CC=O HMDB0001252 [1,0,0,0,0,0|0,0,0]=1 22 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [0,0,0,0,1,0|1,0,1]=3 24 B6R0.7 CC(C)(N)C(O)=O HMDB0001906 [0,0,0,0,1,0|2,0,1]=4 25 B5R0.1 CC(C)=CC=O HMDB0012157 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 CNCC(O)=O HMDB0000271 [2,0,0,0,0,0|0,0,2]=4 28 B5R0.1 COCC(O)=O HMDB0041929 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.4 C[N+](C)(C)C=C HMDB0031259 [2,0,0,0,0,0|0,0,1]=3 30 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.16 CC(C(C)=O)C([O-])=O HMDB0029172 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.13 CNC(C)(C)C(O)=O HMDB0002141 [0,1,0,0,1,0|1,0,1]=4 38 B9R0.57 C[As+](C)(C)CC(O)C([O-])=O HMDB0032684 [0,1,0,0,0,1|0,1,0]=3 39 B7R1.2 CC1COC(=O)C1 HMDB0002167 [1,0,0,1,0,0|1,0,1]=4 40 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,1,0,1,0,0|2,0,0]=4 41 B5R0.5 CC(C)C(O)=O HMDB0001873 [1,0,0,0,1,0|1,0,1]=4 42 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,1|2,0,0]=4 43 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,1|1,0,1]=4 44 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,0,1|2,0,0]=4 45 B9R0.56 CC(=O)OCC[N+](C)(C)C HMDB0000895 [0,0,0,0,0,2|1,0,0]=3 46 B9R0.56 C[N+](C)(C)CCCC(O)=O HMDB0001161 [0,0,0,0,0,2|0,0,1]=3 47 B9R0.56 C[N+](C)(C)CCCC([O-])=O HMDB0006831 [0,0,0,0,0,2|0,0,0]=2