0  B8R0.4  CCCCCCCC=O YMDB00824 [0,0,0,0,0,0|0,0,0]=0
1  B8R0.4  CCCCCCCCO YMDB00808 [0,0,0,0,0,0|0,0,2]=2
2  B7R0.1  CCCCCCC=O YMDB01704 [1,0,0,0,0,0|0,0,0]=1
3  B7R0.1  CCCCCCCO YMDB01475 [1,0,0,0,0,0|0,0,1]=2
4  B7R0.1  CCCC\C=C\C=O YMDB01706 [1,0,0,0,0,0|0,0,2]=3
5  B7R0.1  OCCCCCCO YMDB01709 [1,0,0,0,0,0|1,0,1]=3
6  B9R0.2  CC=CCCCOC(C)=O YMDB01378 [0,1,0,0,0,0|1,0,2]=4
7  B9R0.2  CCCCCCCC(=O)O YMDB00676 [0,1,0,0,0,0|0,0,0]=1
8  B9R0.2  CCCCCCCC(C)=O YMDB01383 [0,1,0,0,0,0|0,0,0]=1
9  B9R0.2  CCCCCCOC(C)=O YMDB01384 [0,1,0,0,0,0|1,0,0]=2
10  B9R0.45  CCCCCC\C=C\C=O YMDB01794 [0,1,0,0,0,0|0,0,1]=2
11  B9R0.45  CCCC\C=C\C=C\C=O YMDB01795 [0,1,0,0,0,0|0,0,3]=4
12  B9R0.45  NCCCCNCCCN YMDB00232 [0,1,0,0,0,0|2,0,1]=4
13  B6R0.6  CCCCCC=O YMDB01759 [2,0,0,0,0,0|0,0,0]=2
14  B6R0.6  CCCCCCO YMDB01473 [2,0,0,0,0,0|0,0,1]=3
15  B6R0.6  CCC\C=C/C=O YMDB01655 [2,0,0,0,0,0|0,0,2]=4
16  B6R0.6  CCOCCCO YMDB01423 [2,0,0,0,0,0|1,0,1]=4
17  B6R0.6  NCCCCCN YMDB02303 [2,0,0,0,0,0|2,0,0]=4
18  B8R0.6  C=CC(=O)CCCCC YMDB01444 [1,1,0,0,0,0|0,0,2]=4
19  B8R0.6  C=CC(O)CCCCC YMDB01352 [1,1,0,0,0,0|0,0,1]=3
20  B8R0.7  CC(=O)NCCCC=O YMDB00209 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.7  CC(=O)NCCCCN YMDB00738 [1,1,0,0,0,0|2,0,0]=4
22  B8R0.7  CC(C)CCCCCO YMDB01717 [1,1,0,0,0,0|0,0,1]=3
23  B8R0.7  CCCCCCC(=O)O YMDB01705 [1,1,0,0,0,0|0,0,0]=2
24  B8R0.7  CCCCCOC(C)=O YMDB01471 [1,1,0,0,0,0|1,0,0]=3
25  B10R0.3  CCCC(S)CCOC(C)=O YMDB01416 [0,2,0,0,0,0|1,0,0]=3
26  B10R0.4  CCCCCCCCC(=O)O YMDB01761 [0,2,0,0,0,0|0,0,0]=2
27  B10R0.4  CCCCCCCOC(C)=O YMDB01476 [0,2,0,0,0,0|0,0,0]=2
28  B10R0.74  CCCCCCCC(=O)OC YMDB01339 [0,2,0,0,0,0|0,0,0]=2
29  B10R0.71  CCCCCCCCCC=O YMDB01340 [0,2,0,0,0,0|0,0,0]=2
30  B10R0.71  CCCCCCCCCCO YMDB00826 [0,2,0,0,0,0|0,0,2]=4
31  B10R0.71  CCCCC\C=C\C=C\C=O YMDB01455 [0,2,0,0,0,0|0,0,2]=4
32  B10R1.10  CCCC1CCCC(=O)O1 YMDB01669 [0,1,0,1,0,0|0,0,0]=2