0  B9R0.7  CC(S)C(=O)NCC(=O)O M13057 [0,0,0,0,0,0|0,0,2]=2
1  B8R0.9  NCC(=O)CCC(=O)O M14958 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.9  NCC(=O)NCC(=O)O M20028 [1,0,0,0,0,0|1,0,2]=4
3  B10R0.57  N[C@@H](CS)C(=O)NCC(=O)O M18181 [0,1,0,0,0,0|1,0,2]=4
4  B8R0.23  CC(C)C(N)CC(=O)O M20275 [0,0,0,0,1,0|2,0,1]=4
5  B10R0.96  CC(C)CC(=O)NCC(=O)O M19997 [0,0,0,0,0,1|1,0,2]=4
6  B7R0.4  CCCCCC(=O)O M19562 [2,0,0,0,0,0|1,0,1]=4
7  B7R0.6  CC(=O)CCC(=O)O M20243 [2,0,0,0,0,0|1,0,1]=4
8  B7R0.6  CC(=O)NCC(=O)O M19625 [2,0,0,0,0,0|0,0,2]=4
9  B7R0.6  O=C(O)CCC(=O)O M10390 [2,0,0,0,0,0|1,1,0]=4
10  B7R0.2  NCC(O)CC(=O)O M16625 [1,0,0,0,1,0|1,0,1]=4
11  B7R0.16  CC(C)C(=O)C(=O)O M19994 [0,0,0,0,2,0|1,0,1]=4
12  B7R0.16  CC(C)C(O)C(=O)O M19995 [0,0,0,0,2,0|1,0,1]=4