0  B8R0.23  CC(=O)N[C@@H](C)C(=O)O YMDB01758 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.23  CC(=O)N[C@H](C)C(=O)O YMDB00855 [0,0,0,0,0,0|2,0,2]=4
2  B8R0.23  CC(C)CC(=O)C(=O)O YMDB00388 [0,0,0,0,0,0|1,0,1]=2
3  B8R0.23  CC(C)CC(O)C(=O)O YMDB02318 [0,0,0,0,0,0|1,0,2]=3
4  B8R0.23  CC(C)C[C@@H](N)C(=O)O YMDB00997 [0,0,0,0,0,0|1,0,2]=3
5  B8R0.23  CC(C)C[C@H](N)C(=O)O YMDB00387 [0,0,0,0,0,0|1,0,2]=3
6  B7R0.5  CCCC(=O)C(C)=O YMDB01708 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.5  CCCC(O)C(=O)O YMDB01559 [1,0,0,0,0,0|1,0,2]=4
8  B7R0.5  CCC[C@@H](N)C(=O)O YMDB00822 [1,0,0,0,0,0|1,0,2]=4
9  B7R0.6  CC(=O)OCC(C)C YMDB00572 [1,0,0,0,0,0|2,0,1]=4
10  B7R0.6  CC(=O)OCC(C)C YMDB01589 [1,0,0,0,0,0|2,0,1]=4
11  B7R0.6  O=C(O)\C=C\C(=O)O YMDB00101 [1,0,0,0,0,0|2,0,1]=4
12  B7R0.16  CC(C)C(=O)C(=O)O YMDB00365 [0,0,0,0,1,0|1,0,0]=2
13  B7R0.16  CC(C)C(O)C(=O)O YMDB01318 [0,0,0,0,1,0|1,0,1]=3
14  B7R0.16  CC(C)[C@@H](N)C(=O)O YMDB01000 [0,0,0,0,1,0|1,0,1]=3
15  B7R0.16  CC(C)[C@H](N)C(=O)O YMDB00152 [0,0,0,0,1,0|1,0,1]=3
16  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O YMDB00214 [0,0,0,0,1,0|2,0,1]=4
17  B7R0.16  C[C@H](O)[C@@H](N)C(=O)O YMDB00802 [0,0,0,0,1,0|2,0,1]=4
18  B7R0.16  C[C@H](O)[C@H](N)C(=O)O YMDB00295 [0,0,0,0,1,0|2,0,1]=4
19  B6R0.2  CC(C)CC(=O)O YMDB01606 [2,0,0,0,0,0|1,0,1]=4
20  B6R0.4  CCCCC(=O)O YMDB01484 [2,0,0,0,0,0|0,0,2]=4
21  B6R0.3  CC(CN)C(=O)O YMDB01560 [2,0,0,0,0,0|1,0,1]=4
22  B6R0.3  CCC(=O)C(=O)O YMDB00071 [2,0,0,0,0,0|1,0,0]=3
23  B6R0.3  CCC(=O)C(C)=O YMDB01434 [2,0,0,0,0,0|2,0,0]=4
24  B6R0.3  CCC(C)C(=O)O YMDB01587 [2,0,0,0,0,0|0,0,1]=3
25  B6R0.3  CCC(O)C(=O)O YMDB00441 [2,0,0,0,0,0|1,0,1]=4
26  B6R0.3  CC[C@H](N)C(=O)O YMDB01570 [2,0,0,0,0,0|1,0,1]=4
27  B6R0.3  C[C@@H](CO)C(=O)O YMDB00337 [2,0,0,0,0,0|1,0,1]=4
28  B8R0.8  CSCCC(=O)C(=O)O YMDB00421 [1,1,0,0,0,0|1,0,1]=4
29  B8R0.27  CC(C)(O)[C@@H](O)C(=O)O YMDB00063 [0,1,0,0,1,0|1,0,1]=4
30  B8R1.7  CC(=O)C1=NCCC1 YMDB01451 [1,0,0,1,0,0|2,0,0]=4
31  B8R1.7  O=C(O)[C@@H]1CCCN1 YMDB00378 [1,0,0,1,0,0|1,0,1]=4
32  B8R1.7  O=C(O)[C@H]1CCCN1 YMDB00903 [1,0,0,1,0,0|1,0,1]=4