pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.1000003814697	QSARToolbox	-1	-2	O=C([N-]CO)c1ccccc1Cl,O=C(NC[O-])c1ccccc1Cl	O=C([N-]C[O-])c1ccccc1Cl	mol27227	O=C(NCO)c1ccccc1Cl
13.1400003433228	QSARToolbox	-1	-2	O=C([N-]CO)c1ccccc1Cl,O=C(NC[O-])c1ccccc1Cl	O=C([N-]C[O-])c1ccccc1Cl	mol27227	O=C(NCO)c1ccccc1Cl
13.14	AttenGpKa training set	-1	-2	O=C([N-]CO)c1ccccc1Cl,O=C(NC[O-])c1ccccc1Cl	O=C([N-]C[O-])c1ccccc1Cl	mol27227	O=C(NCO)c1ccccc1Cl