pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.59999990463257	QSARToolbox	1	0	C[n+]1cccc(/C(O)=C/C(N)=O)c1	C[n+]1cccc(/C([O-])=C/C(N)=O)c1	mol31197	C[n+]1cccc(/C(O)=C/C(N)=O)c1
5.6	AttenGpKa training set	1	0	C[n+]1cccc(/C(O)=C/C(N)=O)c1	C[n+]1cccc(/C([O-])=C/C(N)=O)c1	mol31197	C[n+]1cccc(/C(O)=C/C(N)=O)c1