pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.71	Datawarrior	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.88	OCHEM	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.5	QSARToolbox	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.88000011444092	QSARToolbox	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.80000019073486	QSARToolbox	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.75	QSARToolbox	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.89000034332275	QSARToolbox	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.85999965667725	QSARToolbox	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.89999961853027	QSARToolbox	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.8100004196167	QSARToolbox	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1
8.81	AttenGpKa training set	0	-1	O=C(NO)c1ccccc1	O=C(N[O-])c1ccccc1	mol475	O=C(NO)c1ccccc1