pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	1	0	Nc1ccccc1CCOCCS(=O)(=O)CCC[NH2+]CCc1ccc(O)c2nc(O)sc12	Nc1ccccc1CCOCCS(=O)(=O)CCC[NH2+]CCc1ccc(O)c2nc([O-])sc12,Nc1ccccc1CCOCCS(=O)(=O)CCC[NH2+]CCc1ccc([O-])c2nc(O)sc12	mol31968	Nc1ccccc1CCOCCS(=O)(=O)CCCNCCc1ccc(O)c2nc(O)sc12