pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.14	AttenGpKa training set	0	-1	CCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1	CCc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2)cc1	mol28657	CCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1