pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42	AttenGpKa training set	1	0	C[n+]1ccc(NS(C)(=O)=O)cc1	C[n+]1ccc([N-]S(C)(=O)=O)cc1	mol25107	C[n+]1ccc(NS(C)(=O)=O)cc1