pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	Datawarrior	0	-1	Cc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)[N-]C(=O)OCc2ccccc2)cc1	mol15399	Cc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)cc1
4.21000003814697	QSARToolbox	0	-1	Cc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)cc1	Cc1ccc(S(=O)(=O)[N-]C(=O)OCc2ccccc2)cc1	mol15399	Cc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)cc1