0 B6R0.6 CC/C=C\CCO HMDB0030003 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CCC/C=C/CO HMDB0030952 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 CCCCCC=O HMDB0005994 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 CCCCCCC HMDB0031447 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 CCCCCCN HMDB0032323 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 CCCCCCO HMDB0012971 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.6 CCCCCSS HMDB0031160 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.6 CCCSCCC HMDB0031431 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 CNCCCCN HMDB0003661 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.6 NCCCCC=O HMDB0012815 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 NCCCCCN HMDB0002322 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.6 NCCNCCN HMDB0031413 [0,0,0,0,0,0|0,0,0]=0 12 B6R0.6 OCCSCCO HMDB0042033 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.2 CC/C=C\CO HMDB0031604 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 CCSSCC HMDB0029572 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.2 NCCCC=O HMDB0001080 [1,0,0,0,0,0|1,0,1]=3 23 B5R0.2 NCCCCN HMDB0001414 [1,0,0,0,0,0|0,0,0]=1 24 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.1 CCCCCCCC HMDB0001485 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.1 CCCCCCCO HMDB0031479 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.1 CCCCCCCS HMDB0032304 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.1 CCCCCCOC HMDB0032407 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.1 CCCCOCCO HMDB0031327 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.1 CCCSSCCC HMDB0031472 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.1 SCCCCCCS HMDB0031709 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|3,0,0]=4 34 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.4 CCCNCC(C)C HMDB0031244 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.4 NCCCCC(N)=O HMDB0012176 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.4 NCCCCC(O)=O HMDB0003355 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.7 CCCC(=O)CCC HMDB0004814 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,0,0,1,0,0|2,0,1]=4 44 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|0,0,0]=2 47 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|0,0,0]=2 51 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 NCCC#N HMDB0004101 [2,0,0,0,0,0|0,0,2]=4 54 B4R0.2 NCCC=O HMDB0001106 [2,0,0,0,0,0|1,0,1]=4 55 B4R0.2 NCCCN HMDB0000002 [2,0,0,0,0,0|0,0,0]=2 56 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.1 CCCC(=O)CC HMDB0000753 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 CCOC(C)CC HMDB0031326 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.4 CCNCC(O)=O HMDB0041945 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.4 NCCCC(O)=O HMDB0000112 [1,1,0,0,0,0|1,0,1]=4 62 B6R0.4 NCCNN(=O)=O HMDB0031226 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.4 NCCCNCCCN HMDB0011634 [0,2,0,0,0,0|0,0,0]=2 64 B8R0.7 NCCCCNC(N)=N HMDB0001432 [0,2,0,0,0,0|1,0,1]=4 65 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.1 C1COCCN1 HMDB0031581 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.1 C1CSCCS1 HMDB0031474 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.2 CC1NCCS1 HMDB0031682 [1,0,0,1,0,0|1,0,0]=3 70 B6R1.2 O=C1CCCN1 HMDB0002039 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,1,0,1,0,0|1,0,1]=4