pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.61000001430511	QSARToolbox	1	0	COc1ccc(/C=N/NC(=[OH+])c2ccncc2)cc1,COc1ccc(/C=N/NC(=O)c2cc[nH+]cc2)cc1,COc1ccc(/C=[NH+]/NC(=O)c2ccncc2)cc1	COc1ccc(/C=N/NC(=O)c2ccncc2)cc1	mol34623	COc1ccc(/C=N/NC(=O)c2ccncc2)cc1