0 B6R0.1 CCCC(O)CC HMDB0031493 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCOC(C)CC HMDB0031326 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC(C)CCN HMDB0031659 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CC(C)CCO HMDB0006007 [1,0,0,0,0,0|1,1,1]=4 4 B5R0.2 C=CCN=C=S HMDB0005843 [1,0,0,0,0,0|0,0,2]=3 5 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|1,1,1]=4 6 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|1,1,1]=4 8 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 CCC(C)C=O HMDB0031526 [1,0,0,0,0,0|0,1,1]=3 11 B5R0.3 CCC(C)CN HMDB0032392 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.3 CCC(C)CO HMDB0031527 [1,0,0,0,0,0|0,1,1]=3 13 B5R0.3 CCC(O)C=C HMDB0031605 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.3 CC[C@H](C)C=O HMDB0031525 [1,0,0,0,0,0|0,1,1]=3 15 B5R0.3 COC(C)OC HMDB0030061 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [0,1,0,0,0,0|1,1,1]=4 17 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,0,0,0,0|1,1,1]=4 19 B7R0.7 CCOC(C)OCC HMDB0031644 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.7 CCSC(C)CCO HMDB0032277 [0,1,0,0,0,0|1,1,1]=4 21 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.11 CCCC(C)(C)CC HMDB0031418 [0,1,0,0,0,0|2,0,1]=4 23 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|1,0,2]=4 24 B4R0.1 CC(C)C=O HMDB0031243 [2,0,0,0,0,0|0,1,1]=4 25 B4R0.1 CC(C)CO HMDB0006006 [2,0,0,0,0,0|0,1,1]=4 26 B4R0.1 CC(C)CS HMDB0031245 [2,0,0,0,0,0|0,0,2]=4 27 B4R0.1 CC(Cl)CO HMDB0031335 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.1 CC(N)CN HMDB0013136 [2,0,0,0,0,0|1,0,1]=4 29 B4R0.1 CC(O)CN HMDB0012136 [2,0,0,0,0,0|1,1,0]=4 30 B4R0.1 CC(S)CS HMDB0031631 [2,0,0,0,0,0|1,0,1]=4 31 B4R0.1 CCC(C)=O HMDB0000474 [2,0,0,0,0,0|0,1,1]=4 32 B4R0.1 CCC(C)N HMDB0032179 [2,0,0,0,0,0|0,0,1]=3 33 B4R0.1 CCC(C)O HMDB0011469 [2,0,0,0,0,0|0,1,0]=3 34 B4R0.1 CN(C)N=O HMDB0031419 [2,0,0,0,0,0|1,1,0]=4 35 B4R0.1 C[C@H](O)CO HMDB0006213 [2,0,0,0,0,0|1,1,0]=4 36 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,1,1]=4 37 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,1,1]=4 40 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,0,2]=4 41 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,1,0]=4 42 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|1,1,0]=4 43 B6R0.4 CC(C)CN=C=S HMDB0032345 [1,1,0,0,0,0|0,0,0]=2 44 B6R0.6 CCCCN=C=S HMDB0031328 [1,1,0,0,0,0|0,0,0]=2 45 B6R0.9 CCC(CC)C=O HMDB0031220 [1,1,0,0,0,0|0,1,1]=4 46 B8R1.18 CC1OC(C)C(C)=N1 HMDB0031199 [0,1,0,1,0,0|1,0,1]=4