pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	IUPAC digitized pKa	1	0	Cc1[nH+]c2ccc([N+](=O)[O-])cc2n1C	Cc1nc2ccc([N+](=O)[O-])cc2n1C	mol4508	Cc1nc2ccc([N+](=O)[O-])cc2n1C