pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.17	Datawarrior	0	-1	O=C([O-])c1cc2cc(Cn3cc[nH+]c3)ccc2o1	O=C([O-])c1cc2cc(Cn3ccnc3)ccc2o1	mol14835	O=C(O)c1cc2cc(Cn3ccnc3)ccc2o1
7.1700001	OCHEM	0	-1	O=C([O-])c1cc2cc(Cn3cc[nH+]c3)ccc2o1	O=C([O-])c1cc2cc(Cn3ccnc3)ccc2o1	mol14835	O=C(O)c1cc2cc(Cn3ccnc3)ccc2o1
2.38	Datawarrior	1	0	O=C(O)c1cc2cc(Cn3cc[nH+]c3)ccc2o1	O=C([O-])c1cc2cc(Cn3cc[nH+]c3)ccc2o1	mol14835	O=C(O)c1cc2cc(Cn3ccnc3)ccc2o1
2.3800001	OCHEM	1	0	O=C(O)c1cc2cc(Cn3cc[nH+]c3)ccc2o1	O=C([O-])c1cc2cc(Cn3cc[nH+]c3)ccc2o1	mol14835	O=C(O)c1cc2cc(Cn3ccnc3)ccc2o1
2.38000011444092	QSARToolbox	1	0	O=C(O)c1cc2cc(Cn3cc[nH+]c3)ccc2o1	O=C([O-])c1cc2cc(Cn3cc[nH+]c3)ccc2o1	mol14835	O=C(O)c1cc2cc(Cn3ccnc3)ccc2o1