pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	IUPAC digitized pKa	0	-1	O=c1nc(Cc2ccccc2)[nH]c(O)c1[N+](=O)[O-]	O=c1nc(Cc2ccccc2)[nH]c([O-])c1[N+](=O)[O-],O=c1nc(Cc2ccccc2)[n-]c(O)c1[N+](=O)[O-]	mol11556	O=c1nc(Cc2ccccc2)[nH]c(O)c1[N+](=O)[O-]