pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.58	OCHEM	1	0	C[C@H]1CCCC[NH+]1CCCOc1ccccc1	C[C@H]1CCCCN1CCCOc1ccccc1	mol33190	CC1CCCCN1CCCOc1ccccc1
9.57999992370606	QSARToolbox	1	0	C[C@H]1CCCC[NH+]1CCCOc1ccccc1	C[C@H]1CCCCN1CCCOc1ccccc1	mol33190	CC1CCCCN1CCCOc1ccccc1