pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.7	IUPAC digitized pKa	0	-1	O=C(O)c1ccnn1-c1ccccc1	O=C([O-])c1ccnn1-c1ccccc1	mol11298	O=C(O)c1ccnn1-c1ccccc1
2.73	AttenGpKa training set	0	-1	O=C(O)c1ccnn1-c1ccccc1	O=C([O-])c1ccnn1-c1ccccc1	mol11298	O=C(O)c1ccnn1-c1ccccc1