pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.98999977111816	QSARToolbox	2	1	C[n+]1ccc(C(=O)CC(N)=[OH+])cc1,C[n+]1ccc(C(=[OH+])CC(N)=O)cc1	C[n+]1ccc(C(=O)CC(N)=O)cc1	mol26879	C[n+]1ccc(C(=O)CC(N)=O)cc1
5.99	AttenGpKa training set	2	1	C[n+]1ccc(C(=O)CC(N)=[OH+])cc1,C[n+]1ccc(C(=[OH+])CC(N)=O)cc1	C[n+]1ccc(C(=O)CC(N)=O)cc1	mol26879	C[n+]1ccc(C(=O)CC(N)=O)cc1