pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57	Baltruschat ChEMBL	0	-1	Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1	Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2)cc1	mol20280	Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
4.57000017166138	QSARToolbox	0	-1	Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1	Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2)cc1	mol20280	Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
1.78	AttenGpKa training set	1	0	[NH3+]c1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1	Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1	mol20280	Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1