0  B7R0.1  CCCCCCC=O YMDB01704 [0,0,0,0,0,0|1,0,2]=3
1  B7R0.1  CCCCCCCO YMDB01475 [0,0,0,0,0,0|1,0,0]=1
2  B7R0.1  CCCC\C=C\C=O YMDB01706 [0,0,0,0,0,0|1,0,3]=4
3  B7R0.1  OCCCCCCO YMDB01709 [0,0,0,0,0,0|2,0,0]=2
4  B6R0.6  CCCCCC=O YMDB01759 [1,0,0,0,0,0|0,0,2]=3
5  B6R0.6  CCCCCCO YMDB01473 [1,0,0,0,0,0|0,0,0]=1
6  B6R0.6  CCC\C=C\CO YMDB01676 [1,0,0,0,0,0|0,0,2]=3
7  B6R0.6  CCOCCCO YMDB01423 [1,0,0,0,0,0|1,0,0]=2
8  B6R0.6  CC\C=C/CCO YMDB01420 [1,0,0,0,0,0|0,0,2]=3
9  B6R0.6  CC\C=C\CCO YMDB01421 [1,0,0,0,0,0|0,0,2]=3
10  B6R0.6  NCCCCCN YMDB02303 [1,0,0,0,0,0|2,0,0]=3
11  B8R0.1  CCCCC(=O)OCC YMDB01342 [0,1,0,0,0,0|3,0,0]=4
12  B8R0.1  CCCOC(=O)CCC YMDB01397 [0,1,0,0,0,0|1,0,1]=3
13  B8R0.1  CCOC(=O)CCCO YMDB01419 [0,1,0,0,0,0|2,0,1]=4
14  B8R0.4  CCCCCCCC=O YMDB00824 [0,1,0,0,0,0|1,0,1]=3
15  B8R0.4  CCCCCCCCO YMDB00808 [0,1,0,0,0,0|1,0,0]=2
16  B8R0.6  C=CC(O)CCCCC YMDB01352 [0,1,0,0,0,0|2,0,1]=4
17  B8R0.7  CC(C)CCCCCO YMDB01717 [0,1,0,0,0,0|1,0,0]=2
18  B8R0.7  CCCCCCC(=O)O YMDB01705 [0,1,0,0,0,0|1,0,1]=3
19  B5R0.2  CCCCCO YMDB01470 [2,0,0,0,0,0|0,0,0]=2
20  B5R0.2  CCSSCC YMDB01671 [2,0,0,0,0,0|1,1,0]=4
21  B5R0.2  CSCCCO YMDB01427 [2,0,0,0,0,0|1,0,0]=3
22  B5R0.2  NCCCCN YMDB00132 [2,0,0,0,0,0|2,0,0]=4
23  B7R0.3  CCC(=O)CCSC YMDB01450 [1,1,0,0,0,0|2,0,0]=4
24  B7R0.4  CC(C)CCCCO YMDB01409 [1,1,0,0,0,0|0,0,0]=2
25  B7R0.4  CCCCCC(=O)O YMDB01424 [1,1,0,0,0,0|0,0,1]=3
26  B7R0.4  CCCCCC(C)=O YMDB01337 [1,1,0,0,0,0|0,0,2]=4
27  B7R0.4  CCCCCC(C)O YMDB01343 [1,1,0,0,0,0|0,0,0]=2
28  B7R0.7  CCCC(=O)OCC YMDB01385 [1,1,0,0,0,0|0,0,1]=3
29  B7R0.7  CCCC(S)CCO YMDB01417 [1,1,0,0,0,0|0,0,0]=2
30  B7R0.7  CCOC(C)OCC YMDB01369 [1,1,0,0,0,0|1,0,0]=3
31  B9R0.5  CCCCOC(=O)CCC YMDB01399 [0,2,0,0,0,0|1,0,0]=3
32  B9R0.2  CCCCCCCC(=O)O YMDB00676 [0,2,0,0,0,0|1,0,0]=3
33  B9R0.2  CCCCCCCC(C)=O YMDB01383 [0,2,0,0,0,0|1,0,1]=4
34  B9R0.45  NCCCCNCCCN YMDB00232 [0,2,0,0,0,0|2,0,0]=4
35  B9R0.46  CCCCCOC(=O)CC YMDB01636 [0,2,0,0,0,0|1,0,1]=4
36  B9R0.47  CCCCOC(=O)C(C)C YMDB01328 [0,2,0,0,0,0|1,0,1]=4
37  B7R1.1  OCC1CCCC1 YMDB01361 [1,0,0,1,0,0|0,0,0]=2
38  B7R1.3  OC1CCCCC1 YMDB01398 [1,0,0,1,0,0|0,0,0]=2
39  B9R1.6  O=C(O)C1CCCCN1 YMDB01675 [0,1,0,1,0,0|1,0,1]=4