pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.0	OCHEM	1	0	COc1noc2c1C[NH+](Cc1ccccc1)CC2	COc1noc2c1CN(Cc1ccccc1)CC2	mol20589	COc1noc2c1CN(Cc1ccccc1)CC2
6.09999990463257	QSARToolbox	1	0	COc1noc2c1C[NH+](Cc1ccccc1)CC2	COc1noc2c1CN(Cc1ccccc1)CC2	mol20589	COc1noc2c1CN(Cc1ccccc1)CC2