pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.54	AttenGpKa training set	0	-1	C/C(=N\O)C(=O)N[C@@H](C)C(=O)O	C/C(=N\O)C(=O)N[C@@H](C)C(=O)[O-]	mol22385	C/C(=N\O)C(=O)N[C@@H](C)C(=O)O
10.17	AttenGpKa training set	-1	-2	C/C(=N\O)C(=O)N[C@@H](C)C(=O)[O-]	C/C(=N\[O-])C(=O)N[C@@H](C)C(=O)[O-]	mol22385	C/C(=N\O)C(=O)N[C@@H](C)C(=O)O