0  B9R1.3  CC1=C(O)C(=O)CCO1 YMDB01673 [0,0,0,0,0,0|1,0,2]=3
1  B10R1.119  CC1=C(O)C(=O)C(O)CO1 YMDB01593 [0,1,0,0,0,0|1,0,2]=4
2  B8R0.2  CCC(C)C(C)C(=O)[O-] YMDB01749 [0,0,1,0,0,0|2,0,1]=4
3  B8R0.2  CC[C@@H](C)[C@@H](N)C(=O)O YMDB00853 [0,0,1,0,0,0|2,0,1]=4
4  B8R0.2  CC[C@@H](C)[C@@H](O)C(=O)O YMDB01571 [0,0,1,0,0,0|1,0,2]=4
5  B8R0.2  CC[C@H](C)C(=O)C(=O)O YMDB00168 [0,0,1,0,0,0|1,0,0]=2
6  B8R0.2  CC[C@H](C)[C@H](N)C(=O)O YMDB00038 [0,0,1,0,0,0|2,0,1]=4
7  B8R0.3  CCOC(=O)C(C)CC YMDB01353 [0,0,1,0,0,0|2,0,1]=4
8  B8R0.6  C=CC(=O)CCCCC YMDB01444 [0,0,1,0,0,0|1,0,0]=2
9  B8R0.6  C=CC(O)CCCCC YMDB01352 [0,0,1,0,0,0|1,0,2]=4
10  B8R0.6  CCCCCC(=O)OC YMDB01333 [0,0,1,0,0,0|2,0,0]=3
11  B8R1.50  CC1=C(O)C(=O)CC1 YMDB01663 [0,0,0,0,1,0|0,0,2]=3
12  B7R0.5  C=C(C)C(=O)OCC YMDB01685 [1,0,1,0,0,0|2,0,0]=4
13  B7R0.5  CCCC(=O)C(C)=O YMDB01708 [1,0,1,0,0,0|0,0,0]=2
14  B7R0.5  CCCC(O)C(=O)O YMDB01559 [1,0,1,0,0,0|1,0,1]=4
15  B7R0.5  CCC[C@@H](N)C(=O)O YMDB00822 [1,0,1,0,0,0|1,0,1]=4
16  B7R0.5  CCOC(=O)C(C)O YMDB01429 [1,0,1,0,0,0|2,0,0]=4
17  B7R0.10  CCC(=O)C(O)CC YMDB00804 [1,0,1,0,0,0|0,0,2]=4
18  B7R0.16  CC(C)C(=O)C(=O)O YMDB00365 [1,0,1,0,0,0|1,0,0]=3
19  B7R0.3  CCC(=O)CCSC YMDB01450 [1,0,1,0,0,0|1,0,1]=4
20  B7R0.7  CCCC(=O)OCC YMDB01385 [1,0,1,0,0,0|1,0,0]=3
21  B7R0.1  CCCCCCC=O YMDB01704 [1,0,1,0,0,0|0,0,1]=3
22  B7R0.1  CCCC\C=C\C=O YMDB01706 [1,0,1,0,0,0|0,0,1]=3
23  B7R0.4  CC(=O)NCCC=O YMDB00315 [1,0,1,0,0,0|1,0,1]=4
24  B7R0.4  CCCCCC(=O)O YMDB01424 [1,0,1,0,0,0|0,0,1]=3
25  B7R0.4  CCCCCC(C)=O YMDB01337 [1,0,1,0,0,0|0,0,1]=3
26  B9R0.32  CC(C)(CO)C(=O)C(=O)O YMDB00093 [0,1,1,0,0,0|2,0,0]=4
27  B9R0.35  CCCC(O)C(=O)OCC YMDB01403 [0,1,1,0,0,0|0,0,2]=4
28  B9R0.5  CCCCCC(=O)OCC YMDB01381 [0,1,1,0,0,0|1,0,1]=4
29  B9R0.46  CCCCCOC(=O)CC YMDB01636 [0,1,1,0,0,0|1,0,1]=4
30  B9R0.47  C=C(C)C(=O)OCCCC YMDB01329 [0,1,1,0,0,0|2,0,0]=4
31  B9R0.47  NC(CCCC=O)C(=O)O YMDB00346 [0,1,1,0,0,0|1,0,0]=3
32  B9R0.47  N[C@@H](CCCC=O)C(=O)O YMDB00721 [0,1,1,0,0,0|1,0,0]=3
33  B9R1.138  CC1(C)COC(=O)C1=O YMDB00856 [0,1,0,0,1,0|1,0,0]=3
34  B7R1.4  CC1SCCC1=O YMDB01467 [1,0,0,0,1,0|1,0,0]=3