pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.05	Datawarrior	-1	-2	O=C(NC[O-])c1ccccc1,O=C([N-]CO)c1ccccc1	O=C([N-]C[O-])c1ccccc1	mol14209	O=C(NCO)c1ccccc1
13.1000003814697	QSARToolbox	-1	-2	O=C(NC[O-])c1ccccc1,O=C([N-]CO)c1ccccc1	O=C([N-]C[O-])c1ccccc1	mol14209	O=C(NCO)c1ccccc1
13.0500001907349	QSARToolbox	-1	-2	O=C(NC[O-])c1ccccc1,O=C([N-]CO)c1ccccc1	O=C([N-]C[O-])c1ccccc1	mol14209	O=C(NCO)c1ccccc1