pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.49	IUPAC digitized pKa	1	0	CCCCc1ccc[nH+]n1,CCCCc1cccn[nH+]1	CCCCc1cccnn1	mol4019	CCCCc1cccnn1
3.49000000953674	QSARToolbox	1	0	CCCCc1ccc[nH+]n1,CCCCc1cccn[nH+]1	CCCCc1cccnn1	mol4019	CCCCc1cccnn1