pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.78	OCHEM	1	0	COc1ccc2c[nH+]cnc2c1C,COc1ccc2cnc[nH+]c2c1C	COc1ccc2cncnc2c1C	mol7917	COc1ccc2cncnc2c1C
3.77999997138977	QSARToolbox	1	0	COc1ccc2c[nH+]cnc2c1C,COc1ccc2cnc[nH+]c2c1C	COc1ccc2cncnc2c1C	mol7917	COc1ccc2cncnc2c1C