pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	IUPAC digitized pKa	1	0	c1ccc2c(c1)ccc1c[nH+]c3ccccc3c12	c1ccc2c(c1)ccc1cnc3ccccc3c12	mol8424	c1ccc2c(c1)ccc1cnc3ccccc3c12