pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.31	IUPAC digitized pKa	1	0	OCCc1cccc[nH+]1	OCCc1ccccn1	mol6496	OCCc1ccccn1
5.37	Datawarrior	1	0	OCCc1cccc[nH+]1	OCCc1ccccn1	mol6496	OCCc1ccccn1
5.3699999	OCHEM	1	0	OCCc1cccc[nH+]1	OCCc1ccccn1	mol6496	OCCc1ccccn1
5.36999988555908	QSARToolbox	1	0	OCCc1cccc[nH+]1	OCCc1ccccn1	mol6496	OCCc1ccccn1
5.30999994277954	QSARToolbox	1	0	OCCc1cccc[nH+]1	OCCc1ccccn1	mol6496	OCCc1ccccn1