pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.91	IUPAC digitized pKa	1	0	C1=C(C2CCCCC2)[NH2+]CC1	C1=C(C2CCCCC2)NCC1	mol2448	C1=C(C2CCCCC2)NCC1
7.90999984741211	QSARToolbox	1	0	C1=C(C2CCCCC2)[NH2+]CC1	C1=C(C2CCCCC2)NCC1	mol2448	C1=C(C2CCCCC2)NCC1