pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Datawarrior	1	0	c1c[nH+]c2c(c1)CCCC2	c1cnc2c(c1)CCCC2	mol13180	c1cnc2c(c1)CCCC2
6.5999999	OCHEM	1	0	c1c[nH+]c2c(c1)CCCC2	c1cnc2c(c1)CCCC2	mol13180	c1cnc2c(c1)CCCC2
6.59999990463257	QSARToolbox	1	0	c1c[nH+]c2c(c1)CCCC2	c1cnc2c(c1)CCCC2	mol13180	c1cnc2c(c1)CCCC2