pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.1	AttenGpKa training set	0	-1	CCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1	CCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1	mol28506	CCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1
3.48	AttenGpKa training set	0	-1	CCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1	CCS(=O)(=O)[N-]S(=O)(=O)c1ccc(N)cc1	mol28506	CCS(=O)(=O)NS(=O)(=O)c1ccc(N)cc1