pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	AttenGpKa training set	0	-1	COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1	COc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c(OC)c1	mol28790	COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1