pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Baltruschat ChEMBL	0	-1	COc1cc(C)c(S(=O)(=O)NC(C)=O)cc1-c1ccc(C#CCO)s1	COc1cc(C)c(S(=O)(=O)[N-]C(C)=O)cc1-c1ccc(C#CCO)s1	mol18130	COc1cc(C)c(S(=O)(=O)NC(C)=O)cc1-c1ccc(C#CCO)s1