pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.96	IUPAC digitized pKa	0	-1	Cc1ccccc1Nc1ccc(S(N)(=O)=O)cc1	Cc1ccccc1Nc1ccc(S([NH-])(=O)=O)cc1	mol3377	Cc1ccccc1Nc1ccc(S(N)(=O)=O)cc1
2.04	IUPAC digitized pKa	1	0	Cc1ccccc1[NH2+]c1ccc(S(N)(=O)=O)cc1,Cc1ccccc1Nc1ccc(S([NH3+])(=O)=O)cc1	Cc1ccccc1Nc1ccc(S(N)(=O)=O)cc1	mol3377	Cc1ccccc1Nc1ccc(S(N)(=O)=O)cc1