pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	Datawarrior	1	0	OCCCCc1ccc[nH+]c1	OCCCCc1cccnc1	mol14236	OCCCCc1cccnc1
5.6999998	OCHEM	1	0	OCCCCc1ccc[nH+]c1	OCCCCc1cccnc1	mol14236	OCCCCc1cccnc1
5.69999980926514	QSARToolbox	1	0	OCCCCc1ccc[nH+]c1	OCCCCc1cccnc1	mol14236	OCCCCc1cccnc1