pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.94	Datawarrior	0	-1	NS(=O)(=O)c1ccc(Cl)c(Cl)c1	[NH-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	mol12673	NS(=O)(=O)c1ccc(Cl)c(Cl)c1
8.9399996	OCHEM	0	-1	NS(=O)(=O)c1ccc(Cl)c(Cl)c1	[NH-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	mol12673	NS(=O)(=O)c1ccc(Cl)c(Cl)c1
9.27	AttenGpKa training set	0	-1	NS(=O)(=O)c1ccc(Cl)c(Cl)c1	[NH-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	mol12673	NS(=O)(=O)c1ccc(Cl)c(Cl)c1