pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.42	IUPAC digitized pKa	1	0	CC[NH+](CC)CCOc1ccccc1C(=O)NO	CC[NH+](CC)CCOc1ccccc1C(=O)N[O-],CCN(CC)CCOc1ccccc1C(=O)NO	mol11888	CCN(CC)CCOc1ccccc1C(=O)NO
8.4200001	OCHEM	1	0	CC[NH+](CC)CCOc1ccccc1C(=O)NO	CC[NH+](CC)CCOc1ccccc1C(=O)N[O-],CCN(CC)CCOc1ccccc1C(=O)NO	mol11888	CCN(CC)CCOc1ccccc1C(=O)NO
8.42000007629395	QSARToolbox	1	0	CC[NH+](CC)CCOc1ccccc1C(=O)NO	CC[NH+](CC)CCOc1ccccc1C(=O)N[O-],CCN(CC)CCOc1ccccc1C(=O)NO	mol11888	CCN(CC)CCOc1ccccc1C(=O)NO