pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.68	Datawarrior	0	-1	O=C([O-])c1c[nH+]c2ccccc2c1,O=C(O)c1cnc2ccccc2c1	O=C([O-])c1cnc2ccccc2c1	mol13798	O=C(O)c1cnc2ccccc2c1
4.6799998	OCHEM	0	-1	O=C([O-])c1c[nH+]c2ccccc2c1,O=C(O)c1cnc2ccccc2c1	O=C([O-])c1cnc2ccccc2c1	mol13798	O=C(O)c1cnc2ccccc2c1
4.67999982833862	QSARToolbox	0	-1	O=C([O-])c1c[nH+]c2ccccc2c1,O=C(O)c1cnc2ccccc2c1	O=C([O-])c1cnc2ccccc2c1	mol13798	O=C(O)c1cnc2ccccc2c1
2.17	AttenGpKa training set	1	0	O=C(O)c1c[nH+]c2ccccc2c1	O=C([O-])c1c[nH+]c2ccccc2c1,O=C(O)c1cnc2ccccc2c1	mol13798	O=C(O)c1cnc2ccccc2c1