pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	IUPAC digitized pKa	0	-1	Nc1ccccc1Sc1cnc(O)nc1O	Nc1ccccc1Sc1cnc(O)nc1[O-],Nc1ccccc1Sc1cnc([O-])nc1O	mol7118	Nc1ccccc1Sc1cnc(O)nc1O
2.99	IUPAC digitized pKa	1	0	[NH3+]c1ccccc1Sc1cnc(O)nc1O,Nc1ccccc1Sc1cnc(O)[nH+]c1O,Nc1ccccc1Sc1c[nH+]c(O)nc1O	Nc1ccccc1Sc1cnc(O)nc1O	mol7118	Nc1ccccc1Sc1cnc(O)nc1O