pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.89	AttenGpKa training set	1	0	Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc([NH3+])cc2)cc1,Nc1ccc(S(=O)(=O)[NH2+]S(=O)(=O)c2ccc(N)cc2)cc1	Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(N)cc2)cc1	mol28743	Nc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(N)cc2)cc1