pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Datawarrior	-1	-2	CC(=O)OCC(=N[O-])C(C)=NO,CC(=O)OCC(=NO)C(C)=N[O-]	CC(=O)OCC(=N[O-])C(C)=N[O-]	mol12871	CC(=O)OCC(=NO)C(C)=NO
11.5	Datawarrior	-1	-2	CC(=O)OCC(=N[O-])C(C)=NO,CC(=O)OCC(=NO)C(C)=N[O-]	CC(=O)OCC(=N[O-])C(C)=N[O-]	mol12871	CC(=O)OCC(=NO)C(C)=NO
9.6999998	OCHEM	-1	-2	CC(=O)OCC(=N[O-])C(C)=NO,CC(=O)OCC(=NO)C(C)=N[O-]	CC(=O)OCC(=N[O-])C(C)=N[O-]	mol12871	CC(=O)OCC(=NO)C(C)=NO
9.69999980926514	QSARToolbox	-1	-2	CC(=O)OCC(=N[O-])C(C)=NO,CC(=O)OCC(=NO)C(C)=N[O-]	CC(=O)OCC(=N[O-])C(C)=N[O-]	mol12871	CC(=O)OCC(=NO)C(C)=NO