pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	IUPAC digitized pKa	0	-1	NC(=O)[C@H](Cl)[N+](=O)[O-]	NC(=O)[C-](Cl)[N+](=O)[O-]	mol8973	NC(=O)C(Cl)[N+](=O)[O-]
3.56	IUPAC digitized pKa	0	-1	NC(=O)[C@H](Cl)[N+](=O)[O-]	NC(=O)[C-](Cl)[N+](=O)[O-]	mol8973	NC(=O)C(Cl)[N+](=O)[O-]