pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.87	Datawarrior	0	-1	CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	mol15506	CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
5.8699999	OCHEM	0	-1	CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	mol15506	CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
5.86999988555908	QSARToolbox	0	-1	CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	mol15506	CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
14.4	Datawarrior	-1	-2	CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	CC(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	mol15506	CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1