pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Baltruschat ChEMBL	0	-1	COc1cc(C)c(C(=O)NS(=O)(=O)c2ccccc2)cc1-c1ccc(C#CCO)s1	COc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccccc2)cc1-c1ccc(C#CCO)s1	mol18131	COc1cc(C)c(C(=O)NS(=O)(=O)c2ccccc2)cc1-c1ccc(C#CCO)s1