pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.83	Datawarrior	0	-1	ONc1ccc(O)cc1	[O-]Nc1ccc(O)cc1,[O-]c1ccc(NO)cc1	mol13636	ONc1ccc(O)cc1
9.8299999	OCHEM	0	-1	ONc1ccc(O)cc1	[O-]Nc1ccc(O)cc1,[O-]c1ccc(NO)cc1	mol13636	ONc1ccc(O)cc1
4.17000007629395	QSARToolbox	1	0	O[NH2+]c1ccc(O)cc1	ONc1ccc(O)cc1	mol13636	ONc1ccc(O)cc1
4.14	AttenGpKa training set	1	0	O[NH2+]c1ccc(O)cc1	ONc1ccc(O)cc1	mol13636	ONc1ccc(O)cc1