pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.40000009536743	QSARToolbox	0	-1	O=C(O)c1ncnc2ccccc12	O=C([O-])c1ncnc2ccccc12	mol7855	O=C(O)c1ncnc2ccccc12
3.4	AttenGpKa training set	0	-1	O=C(O)c1ncnc2ccccc12	O=C([O-])c1ncnc2ccccc12	mol7855	O=C(O)c1ncnc2ccccc12