pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.4	Baltruschat ChEMBL	0	-1	Cn1nnc(O)c1C[C@@H]([NH3+])C(=O)[O-]	Cn1nnc([O-])c1C[C@@H]([NH3+])C(=O)[O-],Cn1nnc(O)c1C[C@@H](N)C(=O)[O-]	mol16316	Cn1nnc(O)c1CC(N)C(=O)O
6.42	Baltruschat ChEMBL	0	-1	Cn1nnc(O)c1C[C@@H]([NH3+])C(=O)[O-]	Cn1nnc([O-])c1C[C@@H]([NH3+])C(=O)[O-],Cn1nnc(O)c1C[C@@H](N)C(=O)[O-]	mol16316	Cn1nnc(O)c1CC(N)C(=O)O