pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.75	OCHEM	1	0	COc1nccc[nH+]1	COc1ncccn1	mol4207	COc1ncccn1
1.0	QSARToolbox	1	0	COc1nccc[nH+]1	COc1ncccn1	mol4207	COc1ncccn1
1.5	QSARToolbox	1	0	COc1nccc[nH+]1	COc1ncccn1	mol4207	COc1ncccn1