0  B9R0.7  C[C@H](S)C(=O)NCC(=O)O AC9095 [0,0,0,0,0,0|0,0,2]=2
1  B10R1.58  CN1N=C(C(=O)O)N=C1O C77417 [0,0,0,1,0,0|2,0,1]=4
2  B10R1.58  O=C1N[C@H](C(=O)O)C[C@@H]1F P18887 [0,0,0,1,0,0|1,0,2]=4
3  B10R1.58  O=C1N[C@H](C(=O)O)C[C@@H]1F P21046 [0,0,0,1,0,0|1,0,2]=4
4  B7R0.4  CCCCC[13C](=O)O 41454 [2,0,0,0,0,0|1,0,1]=4
5  B7R0.16  C[C@@H](O)[C@H](O)C(=O)O AT23378 [0,0,0,0,2,0|0,1,1]=4