pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.16	AttenGpKa training set	0	-1	CC(=O)c1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)cc1	CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)NCc2ccccc2)cc1	mol28754	CC(=O)c1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)cc1