pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.83	IUPAC digitized pKa	2	1	C[NH+]1CCO[C@@H](CC[NH+](Cc2ccccc2)Cc2ccccc2)C1	CN1CCO[C@@H](CC[NH+](Cc2ccccc2)Cc2ccccc2)C1,C[NH+]1CCO[C@@H](CCN(Cc2ccccc2)Cc2ccccc2)C1	mol6241	CN1CCOC(CCN(Cc2ccccc2)Cc2ccccc2)C1