pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	IUPAC digitized pKa	1	0	Cc1cccc2[nH+]cc3ccccc3c12	Cc1cccc2ncc3ccccc3c12	mol8391	Cc1cccc2ncc3ccccc3c12
4.69999980926514	QSARToolbox	1	0	Cc1cccc2[nH+]cc3ccccc3c12	Cc1cccc2ncc3ccccc3c12	mol8391	Cc1cccc2ncc3ccccc3c12