pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.72	Datawarrior	1	0	OCCCCCc1ccc[nH+]c1	OCCCCCc1cccnc1	mol12678	OCCCCCc1cccnc1
5.7199998	OCHEM	1	0	OCCCCCc1ccc[nH+]c1	OCCCCCc1cccnc1	mol12678	OCCCCCc1cccnc1
5.71999979019165	QSARToolbox	1	0	OCCCCCc1ccc[nH+]c1	OCCCCCc1cccnc1	mol12678	OCCCCCc1cccnc1