pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.2	Baltruschat ChEMBL	0	-1	NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1	NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccccc2)s1	mol19041	NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
9.0	AttenGpKa training set	-1	-2	NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccccc2)s1	[NH-]S(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccccc2)s1	mol19041	NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1