pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	IUPAC digitized pKa	0	-1	Cc1nonc1NS(=O)(=O)c1ccc(N)cc1	Cc1nonc1[N-]S(=O)(=O)c1ccc(N)cc1	mol4245	Cc1nonc1NS(=O)(=O)c1ccc(N)cc1
4.0	Datawarrior	0	-1	Cc1nonc1NS(=O)(=O)c1ccc(N)cc1	Cc1nonc1[N-]S(=O)(=O)c1ccc(N)cc1	mol4245	Cc1nonc1NS(=O)(=O)c1ccc(N)cc1
1.9	IUPAC digitized pKa	1	0	Cc1[nH+]onc1NS(=O)(=O)c1ccc(N)cc1,Cc1nonc1NS(=O)(=O)c1ccc([NH3+])cc1,Cc1nonc1[NH2+]S(=O)(=O)c1ccc(N)cc1,Cc1no[nH+]c1NS(=O)(=O)c1ccc(N)cc1	Cc1nonc1NS(=O)(=O)c1ccc(N)cc1	mol4245	Cc1nonc1NS(=O)(=O)c1ccc(N)cc1