pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.15	IUPAC digitized pKa	0	-1	C=CCC([N+](=O)[O-])[N+](=O)[O-]	C=CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9194	C=CCC([N+](=O)[O-])[N+](=O)[O-]
4.99	IUPAC digitized pKa	0	-1	C=CCC([N+](=O)[O-])[N+](=O)[O-]	C=CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9194	C=CCC([N+](=O)[O-])[N+](=O)[O-]
4.83	IUPAC digitized pKa	0	-1	C=CCC([N+](=O)[O-])[N+](=O)[O-]	C=CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9194	C=CCC([N+](=O)[O-])[N+](=O)[O-]
4.69	IUPAC digitized pKa	0	-1	C=CCC([N+](=O)[O-])[N+](=O)[O-]	C=CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9194	C=CCC([N+](=O)[O-])[N+](=O)[O-]
4.92	IUPAC digitized pKa	0	-1	C=CCC([N+](=O)[O-])[N+](=O)[O-]	C=CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9194	C=CCC([N+](=O)[O-])[N+](=O)[O-]