pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.38	AttenGpKa training set	0	-1	CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OCC)cc1	CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1	mol28747	CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OCC)cc1