pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.9	IUPAC digitized pKa	0	-1	Oc1cc(O)c2ccccc2n1	[O-]c1cc(O)c2ccccc2n1,[O-]c1cc(O)nc2ccccc12	mol4410	Oc1cc(O)c2ccccc2n1
5.86	Datawarrior	0	-1	Oc1cc(O)c2ccccc2n1	[O-]c1cc(O)c2ccccc2n1,[O-]c1cc(O)nc2ccccc12	mol4410	Oc1cc(O)c2ccccc2n1
5.8600001335144	QSARToolbox	0	-1	Oc1cc(O)c2ccccc2n1	[O-]c1cc(O)c2ccccc2n1,[O-]c1cc(O)nc2ccccc12	mol4410	Oc1cc(O)c2ccccc2n1
5.90000009536743	QSARToolbox	0	-1	Oc1cc(O)c2ccccc2n1	[O-]c1cc(O)c2ccccc2n1,[O-]c1cc(O)nc2ccccc12	mol4410	Oc1cc(O)c2ccccc2n1
0.76	Datawarrior	1	0	Oc1cc(O)c2ccccc2[nH+]1	Oc1cc(O)c2ccccc2n1	mol4410	Oc1cc(O)c2ccccc2n1
0.75999999	OCHEM	1	0	Oc1cc(O)c2ccccc2[nH+]1	Oc1cc(O)c2ccccc2n1	mol4410	Oc1cc(O)c2ccccc2n1
0.759999990463257	QSARToolbox	1	0	Oc1cc(O)c2ccccc2[nH+]1	Oc1cc(O)c2ccccc2n1	mol4410	Oc1cc(O)c2ccccc2n1