pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.77	Datawarrior	0	-1	O=C([O-])c1cc2cc(Cn3cc[nH+]c3)ccc2s1	O=C([O-])c1cc2cc(Cn3ccnc3)ccc2s1	mol14822	O=C(O)c1cc2cc(Cn3ccnc3)ccc2s1
6.76999998092651	QSARToolbox	0	-1	O=C([O-])c1cc2cc(Cn3cc[nH+]c3)ccc2s1	O=C([O-])c1cc2cc(Cn3ccnc3)ccc2s1	mol14822	O=C(O)c1cc2cc(Cn3ccnc3)ccc2s1
2.74	Datawarrior	1	0	O=C(O)c1cc2cc(Cn3cc[nH+]c3)ccc2s1	O=C([O-])c1cc2cc(Cn3cc[nH+]c3)ccc2s1	mol14822	O=C(O)c1cc2cc(Cn3ccnc3)ccc2s1