pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.2	Datawarrior	-1	-2	Cc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	Cc1ccc(S(=O)(=O)[N-]CCC(=O)[O-])cc1	mol14459	Cc1ccc(S(=O)(=O)NCCC(=O)O)cc1
11.1999998092651	QSARToolbox	-1	-2	Cc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1	Cc1ccc(S(=O)(=O)[N-]CCC(=O)[O-])cc1	mol14459	Cc1ccc(S(=O)(=O)NCCC(=O)O)cc1