pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.42	IUPAC digitized pKa	0	-1	Cc1cc(N)c(O)cc1C	Cc1cc(N)c([O-])cc1C	mol3359	Cc1cc(N)c(O)cc1C
10.4	Datawarrior	0	-1	Cc1cc(N)c(O)cc1C	Cc1cc(N)c([O-])cc1C	mol3359	Cc1cc(N)c(O)cc1C
10.3999996185303	QSARToolbox	0	-1	Cc1cc(N)c(O)cc1C	Cc1cc(N)c([O-])cc1C	mol3359	Cc1cc(N)c(O)cc1C
5.26	IUPAC digitized pKa	1	0	Cc1cc([NH3+])c(O)cc1C	Cc1cc(N)c(O)cc1C	mol3359	Cc1cc(N)c(O)cc1C
5.28	Datawarrior	1	0	Cc1cc([NH3+])c(O)cc1C	Cc1cc(N)c(O)cc1C	mol3359	Cc1cc(N)c(O)cc1C
5.2800002	OCHEM	1	0	Cc1cc([NH3+])c(O)cc1C	Cc1cc(N)c(O)cc1C	mol3359	Cc1cc(N)c(O)cc1C