pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.17	OCHEM	0	-1	CCOC(=O)c1csc([N-]C(=O)C[n+]2cccc(/C=N/O)c2)n1,CCOC(=O)c1csc(NC(=O)C[n+]2cccc(/C=N/[O-])c2)n1	CCOC(=O)c1csc([N-]C(=O)C[n+]2cccc(/C=N/[O-])c2)n1	mol32201	CCOC(=O)c1csc(NC(=O)C[n+]2cccc(/C=N/O)c2)n1