pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	IUPAC digitized pKa	0	-1	O=C(O)c1ccn(-c2ccccc2)n1	O=C([O-])c1ccn(-c2ccccc2)n1	mol11296	O=C(O)c1ccn(-c2ccccc2)n1
3.61	AttenGpKa training set	0	-1	O=C(O)c1ccn(-c2ccccc2)n1	O=C([O-])c1ccn(-c2ccccc2)n1	mol11296	O=C(O)c1ccn(-c2ccccc2)n1