pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.38	AttenGpKa training set	1	0	CCCCNC(=O)NS(=O)(=O)c1ccc(C[NH3+])cc1	CCCCNC(=O)NS(=O)(=O)c1ccc(CN)cc1	mol28579	CCCCNC(=O)NS(=O)(=O)c1ccc(CN)cc1