pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	IUPAC digitized pKa	1	0	Cc1[nH+]c2ccccc2n1CCC#N	Cc1nc2ccccc2n1CCC#N	mol4500	Cc1nc2ccccc2n1CCC#N