pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79	AttenGpKa training set	0	-1	Nc1ccc(S(=O)(=O)NC(=O)CCl)cc1	Nc1ccc(S(=O)(=O)[N-]C(=O)CCl)cc1	mol28448	Nc1ccc(S(=O)(=O)NC(=O)CCl)cc1
1.6	AttenGpKa training set	2	1	[NH3+]c1ccc(S(=O)(=O)NC(=[OH+])CCl)cc1	[NH3+]c1ccc(S(=O)(=O)NC(=O)CCl)cc1	mol28448	Nc1ccc(S(=O)(=O)NC(=O)CCl)cc1