pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.14	IUPAC digitized pKa	0	-1	NCc1cccc(S(N)(=O)=O)c1	[NH-]S(=O)(=O)c1cccc(CN)c1	mol2100	NCc1cccc(S(N)(=O)=O)c1
8.55	IUPAC digitized pKa	1	0	NS(=O)(=O)c1cccc(C[NH3+])c1	NCc1cccc(S(N)(=O)=O)c1	mol2100	NCc1cccc(S(N)(=O)=O)c1
8.5500002	OCHEM	1	0	NS(=O)(=O)c1cccc(C[NH3+])c1	NCc1cccc(S(N)(=O)=O)c1	mol2100	NCc1cccc(S(N)(=O)=O)c1