0  B8R0.6  C=CC(=O)CCCCC YMDB01444 [0,0,0,0,0,0|0,0,0]=0
1  B8R0.6  C=CC(O)CCCCC YMDB01352 [0,0,0,0,0,0|0,0,2]=2
2  B8R0.6  CCCCCC(=O)OC YMDB01333 [0,0,0,0,0,0|1,0,1]=2
3  B7R0.1  CCCCCCC=O YMDB01704 [1,0,0,0,0,0|1,0,1]=3
4  B7R0.1  CCCCCCCO YMDB01475 [1,0,0,0,0,0|1,0,2]=4
5  B7R0.1  CCCC\C=C\C=O YMDB01706 [1,0,0,0,0,0|1,0,1]=3
6  B7R0.3  CCC(=O)CCSC YMDB01450 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.3  COC(=O)CCSC YMDB01750 [1,0,0,0,0,0|2,0,1]=4
8  B7R0.4  CCCCCC(=O)O YMDB01424 [1,0,0,0,0,0|1,0,0]=2
9  B7R0.4  CCCCCC(C)=O YMDB01337 [1,0,0,0,0,0|0,0,1]=2
10  B7R0.4  CCCCCC(C)O YMDB01343 [1,0,0,0,0,0|0,0,3]=4
11  B9R0.1  C=CC(=C)CCC=C(C)C YMDB01753 [0,1,0,0,0,0|1,0,2]=4
12  B9R0.5  CCCCCC(=O)OCC YMDB01381 [0,1,0,0,0,0|0,0,2]=3
13  B9R0.5  CCCCOC(=O)CCC YMDB01399 [0,1,0,0,0,0|1,0,2]=4
14  B9R0.46  CCCCCOC(=O)CC YMDB01636 [0,1,0,0,0,0|0,0,2]=3
15  B9R0.47  C=C(C)C(=O)OCCCC YMDB01329 [0,1,0,0,0,0|1,0,0]=2
16  B9R0.47  CCCCOC(=O)C(C)C YMDB01328 [0,1,0,0,0,0|1,0,2]=4
17  B9R1.3  CC1=C(O)C(=O)CCO1 YMDB01673 [0,0,0,1,0,0|2,0,1]=4
18  B6R0.6  CCCCCC=O YMDB01759 [2,0,0,0,0,0|0,0,0]=2
19  B6R0.6  CCCCCCO YMDB01473 [2,0,0,0,0,0|0,0,2]=4
20  B6R0.6  CCC\C=C/C=O YMDB01655 [2,0,0,0,0,0|0,0,2]=4
21  B6R0.1  CCCC(=O)OC YMDB01743 [2,0,0,0,0,0|1,0,1]=4
22  B6R0.4  CCCCC(=O)O YMDB01484 [2,0,0,0,0,0|1,0,0]=3
23  B6R0.4  CCCOC(C)=O YMDB01390 [2,0,0,0,0,0|1,0,1]=4
24  B6R0.4  NCCCC(=O)O YMDB00335 [2,0,0,0,0,0|2,0,0]=4
25  B8R0.1  C=C\C=C\C(C)OCC YMDB01583 [1,1,0,0,0,0|1,0,1]=4
26  B8R0.4  CCCCCCCC=O YMDB00824 [1,1,0,0,0,0|0,0,2]=4
27  B8R0.7  CCCCCCC(=O)O YMDB01705 [1,1,0,0,0,0|1,0,1]=4
28  B8R0.7  CCCCCOC(C)=O YMDB01471 [1,1,0,0,0,0|1,0,1]=4
29  B8R0.8  CSCCC(=O)C(=O)O YMDB00421 [1,1,0,0,0,0|2,0,0]=4
30  B8R0.9  C=CC(=O)OCC(C)C YMDB01746 [1,1,0,0,0,0|1,0,0]=3
31  B8R0.28  CC(=O)OCCC(C)C YMDB00571 [1,1,0,0,0,0|1,0,1]=4
32  B10R0.60  C=C\C(C)=C\CCC(C)(C)O YMDB01762 [0,2,0,0,0,0|1,0,1]=4
33  B10R0.1  CCCCCCC(=O)OCC YMDB01474 [0,2,0,0,0,0|0,0,2]=4
34  B10R0.2  CCCC(O)CC(=O)OCC YMDB01356 [0,2,0,0,0,0|0,0,2]=4
35  B10R0.91  CCCCCC(=O)OCCC YMDB01347 [0,2,0,0,0,0|0,0,2]=4
36  B10R0.74  CCCCCCCC(=O)OC YMDB01339 [0,2,0,0,0,0|1,0,1]=4
37  B8R1.50  CC1=C(O)C(=O)CC1 YMDB01663 [1,0,0,1,0,0|1,0,1]=4
38  B8R1.7  O=C(O)[C@@H]1CCCN1 YMDB00378 [1,0,0,1,0,0|2,0,0]=4
39  B8R1.7  O=C(O)[C@H]1CCCN1 YMDB00903 [1,0,0,1,0,0|2,0,0]=4
40  B10R1.21  CCCCCC1=CC=CO1 YMDB01439 [0,1,0,1,0,0|0,0,1]=3
41  B10R1.21  CCCCCC1=CC=CS1 YMDB01514 [0,1,0,1,0,0|0,1,0]=3