pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.02	Datawarrior	1	0	CCCc1[nH]cc[nH+]1	CCCc1ncc[nH]1	mol12373	CCCc1ncc[nH]1
8.0200005	OCHEM	1	0	CCCc1[nH]cc[nH+]1	CCCc1ncc[nH]1	mol12373	CCCc1ncc[nH]1
8.02000045776367	QSARToolbox	1	0	CCCc1[nH]cc[nH+]1	CCCc1ncc[nH]1	mol12373	CCCc1ncc[nH]1