pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	AttenGpKa training set	0	-1	COc1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1C	COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(N)cc2)cc1C	mol28713	COc1ccc(C(=O)NS(=O)(=O)c2ccc(N)cc2)cc1C