pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.08	Baltruschat ChEMBL	0	-1	COc1ccc(NC(=O)/C(C#N)=N/O)cc1	COc1ccc(NC(=O)/C(C#N)=N/[O-])cc1	mol21000	COc1ccc(NC(=O)/C(C#N)=N/O)cc1