pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8	IUPAC digitized pKa	0	-1	CN1C[C@H](O)C2=CC(=NNC(N)=O)C(=O)C=C21	CN1C[C@H](O)C2=CC(=N[N-]C(N)=O)C(=O)C=C21	mol11377	CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21
10.8000001907349	QSARToolbox	0	-1	CN1C[C@H](O)C2=CC(=NNC(N)=O)C(=O)C=C21	CN1C[C@H](O)C2=CC(=N[N-]C(N)=O)C(=O)C=C21	mol11377	CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C21