pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	Datawarrior	1	0	c1cc2c(c[nH+]1)CCCC2	c1cc2c(cn1)CCCC2	mol13171	c1cc2c(cn1)CCCC2
6.6500001	OCHEM	1	0	c1cc2c(c[nH+]1)CCCC2	c1cc2c(cn1)CCCC2	mol13171	c1cc2c(cn1)CCCC2
6.65000009536743	QSARToolbox	1	0	c1cc2c(c[nH+]1)CCCC2	c1cc2c(cn1)CCCC2	mol13171	c1cc2c(cn1)CCCC2