pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.46000003814697	QSARToolbox	1	0	O=C(CC[NH+]1CCCCC1)CN1C(=O)c2ccccc2C1=O	O=C(CCN1CCCCC1)CN1C(=O)c2ccccc2C1=O	mol38429	O=C(CCN1CCCCC1)CN1C(=O)c2ccccc2C1=O