pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.96	AttenGpKa training set	0	-1	Cc1ccccc1NS(=O)(=O)c1ccc(N)cc1	Cc1ccccc1[N-]S(=O)(=O)c1ccc(N)cc1	mol28501	Cc1ccccc1NS(=O)(=O)c1ccc(N)cc1
2.04	AttenGpKa training set	1	0	Cc1ccccc1NS(=O)(=O)c1ccc([NH3+])cc1,Cc1ccccc1[NH2+]S(=O)(=O)c1ccc(N)cc1	Cc1ccccc1NS(=O)(=O)c1ccc(N)cc1	mol28501	Cc1ccccc1NS(=O)(=O)c1ccc(N)cc1