pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.44	IUPAC digitized pKa	0	-1	Nc1ccc(S(=O)(=O)Nc2nccc(N)n2)cc1	Nc1ccc(S(=O)(=O)[N-]c2nccc(N)n2)cc1	mol4102	Nc1ccc(S(=O)(=O)Nc2nccc(N)n2)cc1
9.4399996	OCHEM	0	-1	Nc1ccc(S(=O)(=O)Nc2nccc(N)n2)cc1	Nc1ccc(S(=O)(=O)[N-]c2nccc(N)n2)cc1	mol4102	Nc1ccc(S(=O)(=O)Nc2nccc(N)n2)cc1
3.13	IUPAC digitized pKa	1	0	Nc1ccc(S(=O)(=O)Nc2nccc([NH3+])n2)cc1,Nc1ccnc(NS(=O)(=O)c2ccc([NH3+])cc2)n1,Nc1ccc(S(=O)(=O)[NH2+]c2nccc(N)n2)cc1,Nc1ccc(S(=O)(=O)Nc2nccc(N)[nH+]2)cc1	Nc1ccc(S(=O)(=O)Nc2nccc(N)n2)cc1	mol4102	Nc1ccc(S(=O)(=O)Nc2nccc(N)n2)cc1