pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.82	IUPAC digitized pKa	1	0	CCOc1ccc2[nH+]ccc(Cl)c2c1	CCOc1ccc2nccc(Cl)c2c1	mol4385	CCOc1ccc2nccc(Cl)c2c1
3.8199999332428	QSARToolbox	1	0	CCOc1ccc2[nH+]ccc(Cl)c2c1	CCOc1ccc2nccc(Cl)c2c1	mol4385	CCOc1ccc2nccc(Cl)c2c1