0 B8R0.34 CSC(C)(C)CC(C)=O HMDB0037621 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,0,0,0,0,0|0,0,0]=1 4 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [1,0,0,0,0,0|0,1,0]=2 5 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [1,0,0,0,0,0|0,0,0]=1 6 B7R0.9 CC(O)CC(C)(C)S HMDB0032375 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.9 C[As+](C)(C)CC([O-])=O HMDB0033206 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.11 CCCC(C)(C)CC HMDB0031418 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.38 CC1=CC(=O)C(C)(C)C1 HMDB0040246 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.125 CC1(CCC(=O)O1)C=C HMDB0032333 [0,0,0,1,0,0|2,0,1]=4 11 B7R0.13 CCC(C)(O)C(O)=O HMDB0001987 [0,0,0,0,1,0|3,0,0]=4 12 B6R0.1 CSC(C)CC=O HMDB0041491 [2,0,0,0,0,0|0,0,0]=2 13 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [2,0,0,0,0,0|0,0,2]=4 14 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [2,0,0,0,0,0|0,1,1]=4 15 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [2,0,0,0,0,0|0,0,2]=4 16 B6R0.2 CC(C)CC(O)=O HMDB0000718 [2,0,0,0,0,0|1,0,0]=3 17 B6R0.2 CC(C)OC(C)=O HMDB0031241 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.2 CC(N)CC(O)=O HMDB0031654 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.2 CC(S)CC(C)=O HMDB0032376 [2,0,0,0,0,0|0,0,0]=2 20 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.4 CCCOC(C)=O HMDB0034237 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 CCCSC(C)=O HMDB0033856 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|0,0,0]=2 24 B6R0.4 CSCCC(C)O HMDB0041476 [2,0,0,0,0,0|0,0,2]=4 25 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.5 CC(C)(S)CCO HMDB0036149 [2,0,0,0,0,0|0,0,2]=4 27 B8R0.2 CCC(C)C(N)C(O)=O HMDB0033923 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [1,1,0,0,0,0|2,0,0]=4 29 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O HMDB0000172 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [1,1,0,0,0,0|1,1,0]=4 32 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [1,1,0,0,0,0|0,1,0]=3 33 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|0,0,0]=2 34 B8R0.23 CC(OC(C)=O)C(C)=O HMDB0033698 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.27 CC(C)C(C)C(C)(C)C HMDB0030301 [1,1,0,0,0,0|1,0,1]=4 36 B8R1.1 COC1CCC(=O)N1 HMDB0034208 [1,0,0,1,0,0|1,1,0]=4 37 B8R1.4 CC1CCCC(=O)C1 HMDB0033667 [1,0,0,1,0,0|1,0,0]=3 38 B10R1.271 CC1=C(O)C(=O)CC1(C)C HMDB0040526 [0,1,0,1,0,0|1,0,1]=4 39 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HMDB0031195 [0,1,0,1,0,0|1,0,1]=4 40 B10R1.329 CC1=CC(C)(C)CC(=O)C1 HMDB0040338 [0,1,0,1,0,0|1,0,0]=3 41 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,0,0,0,1,0|2,0,0]=4 42 B6R0.3 CCC(O)C(C)=O HMDB0031516 [1,0,0,0,1,0|2,0,0]=4 43 B6R0.3 CCC(S)C(C)=O HMDB0034896 [1,0,0,0,1,0|2,0,0]=4 44 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,0,0,0,1,0|2,0,0]=4 45 B6R0.3 CSC(C)C(C)=O HMDB0041558 [1,0,0,0,1,0|0,0,0]=2 46 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [1,0,0,0,0,1|1,0,1]=4 47 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [1,0,0,0,0,1|1,0,0]=3