pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	IUPAC digitized pKa	1	0	C[NH+](C)[C@H]1CCc2ccccc2C1	CN(C)[C@H]1CCc2ccccc2C1	mol3542	CN(C)C1CCc2ccccc2C1
