0  B8R0.7  CC(=O)NCCCC=O YMDB00209 [0,0,0,0,0,0|2,0,0]=2
1  B8R0.7  CC(=O)NCCCCN YMDB00738 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.7  CCCCCCC(=O)O YMDB01705 [0,0,0,0,0,0|2,0,2]=4
3  B8R0.7  CCCCCOC(C)=O YMDB01471 [0,0,0,0,0,0|0,0,2]=2
4  B7R0.1  CCCCCCC=O YMDB01704 [1,0,0,0,0,0|1,0,2]=4
5  B7R0.4  CC(=O)NCCC=O YMDB00315 [1,0,0,0,0,0|2,0,0]=3
6  B7R0.4  CCCCCC(=O)O YMDB01424 [1,0,0,0,0,0|1,0,2]=4
7  B7R0.4  CCCCCC(C)=O YMDB01337 [1,0,0,0,0,0|0,0,2]=3
8  B9R0.1  C=CC(=C)CCC=C(C)C YMDB01753 [0,1,0,0,0,0|2,0,1]=4
9  B9R0.2  CC=CCCCOC(C)=O YMDB01378 [0,1,0,0,0,0|0,0,0]=1
10  B9R0.2  CCCCCCCC(C)=O YMDB01383 [0,1,0,0,0,0|1,0,2]=4
11  B9R0.2  CCCCCCOC(C)=O YMDB01384 [0,1,0,0,0,0|0,0,2]=3
12  B9R0.46  CCCCCOC(=O)CC YMDB01636 [0,1,0,0,0,0|0,0,2]=3
13  B9R0.47  NC(CCCC=O)C(=O)O YMDB00346 [0,1,0,0,0,0|3,0,0]=4
14  B9R0.47  N[C@@H](CCCC=O)C(=O)O YMDB00721 [0,1,0,0,0,0|3,0,0]=4
15  B9R0.55  CC(=O)NCCCC(=O)O YMDB00489 [0,1,0,0,0,0|2,0,0]=3
16  B6R0.6  CCCCCC=O YMDB01759 [2,0,0,0,0,0|0,0,2]=4
17  B6R0.6  CCOCCCO YMDB01423 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.4  CCCCC(=O)O YMDB01484 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.4  CCCOC(C)=O YMDB01390 [2,0,0,0,0,0|0,0,0]=2
20  B6R0.4  NCCCC(=O)O YMDB00335 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.4  O=CCCC(=O)O YMDB00236 [2,0,0,0,0,0|2,0,0]=4
22  B8R0.6  C=CC(O)CCCCC YMDB01352 [1,1,0,0,0,0|1,0,1]=4
23  B8R0.8  N[C@@H](CCC=O)C(=O)O YMDB00918 [1,1,0,0,0,0|2,0,0]=4
24  B8R0.9  CCC(C)COC(C)=O YMDB00568 [1,1,0,0,0,0|0,0,1]=3
25  B8R0.28  CC(=O)CCC=C(C)C YMDB00877 [1,1,0,0,0,0|0,0,2]=4
26  B8R0.28  CC(=O)OCCC(C)C YMDB00571 [1,1,0,0,0,0|0,0,1]=3
27  B10R0.3  CCCC(S)CCOC(C)=O YMDB01416 [0,2,0,0,0,0|0,0,2]=4
28  B10R0.65  C=CC(C)(O)CCC=C(C)C YMDB01371 [0,2,0,0,0,0|2,0,0]=4
29  B10R0.98  CC(=O)OCC[C@H](N)C(=O)O YMDB00158 [0,2,0,0,0,0|1,0,0]=3
30  B10R0.4  CCCCCCCOC(C)=O YMDB01476 [0,2,0,0,0,0|0,0,2]=4
31  B8R1.7  CC(=O)C1=NCCC1 YMDB01451 [1,0,0,1,0,0|2,0,0]=4
32  B8R1.7  O=C(O)C1CCC=N1 YMDB00243 [1,0,0,1,0,0|2,0,0]=4