0 B6R0.5 CCC[N+](C)(C)C HMDB0006509 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.5 C[As+](C)(C)CCO HMDB0032683 [0,0,0,0,0,0|0,1,0]=1 2 B6R0.5 C[N+](C)(C)CC=O HMDB0001252 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.5 OCCS(O)(=O)=O HMDB0003903 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 CC(=C)CCO HMDB0030126 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 CC(C)=CCO HMDB0030124 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 CC(C)=CCS HMDB0031529 [1,0,0,0,0,0|1,1,1]=4 7 B5R0.1 CC(C)CCN HMDB0031659 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CC(C)CCO HMDB0006007 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 CC(O)CCO HMDB0031320 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CN(C)CCO HMDB0032231 [1,0,0,0,0,0|0,0,1]=2 11 B5R0.1 OCCC(O)=O HMDB0000700 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.4 C[N+](C)(C)C=C HMDB0031259 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,1,0,0,0,0|0,0,2]=3 14 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.9 CC(O)CC(C)(C)S HMDB0032375 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.9 C[N+](C)(C)CC([O-])=O HMDB0000043 [0,1,0,0,0,0|0,0,2]=3 17 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.11 CCCC(C)(S)CO HMDB0032374 [0,1,0,0,0,0|3,0,0]=4 19 B4R0.1 CC(=O)CO HMDB0006961 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.1 CC(C)CO HMDB0006006 [2,0,0,0,0,0|1,0,0]=3 21 B4R0.1 CC(C)CS HMDB0031245 [2,0,0,0,0,0|1,1,0]=4 22 B4R0.1 CC(Cl)CO HMDB0031335 [2,0,0,0,0,0|2,0,0]=4 23 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|2,0,0]=4 26 B4R0.1 C[C@H](O)CO HMDB0006213 [2,0,0,0,0,0|2,0,0]=4 27 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|1,0,0]=3 30 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|1,1,0]=4 31 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|2,0,0]=4 32 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,0,0]=3 33 B4R0.2 OCCC=C HMDB0031324 [2,0,0,0,0,0|1,0,1]=4 34 B4R0.2 OCCC=O HMDB0003453 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.3 CC(C)(C)O HMDB0031456 [2,0,0,0,0,0|1,0,0]=3 36 B4R0.3 C[N+](C)(C)[O-] HMDB0000925 [2,0,0,0,0,0|0,0,1]=3 37 B6R0.2 CC(C)CC(O)=O HMDB0000718 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.2 CN(C)CC(O)=O HMDB0000092 [1,1,0,0,0,0|0,0,2]=4 39 B6R0.4 CC(C)CCC=O HMDB0001318 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.7 CC(C)(C)C(O)=O HMDB0041992 [1,1,0,0,0,0|1,0,1]=4 41 B8R0.21 C[N+](C)(C)CCCC=O HMDB0001345 [0,2,0,0,0,0|0,0,1]=3 42 B8R0.27 CC(C)C(C)C(C)(C)C HMDB0030301 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.13 CC(O)(CO)[C@@H](O)CO HMDB0011659 [0,2,0,0,0,0|2,0,0]=4 44 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|2,0,0]=4 45 B6R1.2 O=C1CCOC1 HMDB0002523 [1,0,0,1,0,0|2,0,0]=4