pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	AttenGpKa training set	0	-1	CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)[nH]1	CCc1nnc([N-]S(=O)(=O)c2ccc(N)cc2)[nH]1	mol28516	CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)[nH]1