pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.81	AttenGpKa training set	0	-1	COc1ccc(S(=O)(=O)NC(=O)NCc2ccc(Cl)cc2)cc1	COc1ccc(S(=O)(=O)[N-]C(=O)NCc2ccc(Cl)cc2)cc1	mol28796	COc1ccc(S(=O)(=O)NC(=O)NCc2ccc(Cl)cc2)cc1