pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.28	IUPAC digitized pKa	1	0	Cc1[nH+]c(C)c(C)c([N+](=O)[O-])c1C	Cc1nc(C)c(C)c([N+](=O)[O-])c1C	mol6581	Cc1nc(C)c(C)c([N+](=O)[O-])c1C
4.08	IUPAC digitized pKa	1	0	Cc1[nH+]c(C)c(C)c([N+](=O)[O-])c1C	Cc1nc(C)c(C)c([N+](=O)[O-])c1C	mol6581	Cc1nc(C)c(C)c([N+](=O)[O-])c1C
3.9	IUPAC digitized pKa	1	0	Cc1[nH+]c(C)c(C)c([N+](=O)[O-])c1C	Cc1nc(C)c(C)c([N+](=O)[O-])c1C	mol6581	Cc1nc(C)c(C)c([N+](=O)[O-])c1C