pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.41	IUPAC digitized pKa	1	0	Cc1[nH+]nc2c(c1C)CCCC2,Cc1n[nH+]c2c(c1C)CCCC2	Cc1nnc2c(c1C)CCCC2	mol4568	Cc1nnc2c(c1C)CCCC2
5.4099998	OCHEM	1	0	Cc1[nH+]nc2c(c1C)CCCC2,Cc1n[nH+]c2c(c1C)CCCC2	Cc1nnc2c(c1C)CCCC2	mol4568	Cc1nnc2c(c1C)CCCC2
5.40999984741211	QSARToolbox	1	0	Cc1[nH+]nc2c(c1C)CCCC2,Cc1n[nH+]c2c(c1C)CCCC2	Cc1nnc2c(c1C)CCCC2	mol4568	Cc1nnc2c(c1C)CCCC2