pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.0200004577637	QSARToolbox	-1	-2	O=C([N-]CO)c1cccc(Cl)c1,O=C(NC[O-])c1cccc(Cl)c1	O=C([N-]C[O-])c1cccc(Cl)c1	mol27229	O=C(NCO)c1cccc(Cl)c1
13.02	AttenGpKa training set	-1	-2	O=C([N-]CO)c1cccc(Cl)c1,O=C(NC[O-])c1cccc(Cl)c1	O=C([N-]C[O-])c1cccc(Cl)c1	mol27229	O=C(NCO)c1cccc(Cl)c1