pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	IUPAC digitized pKa	0	-1	Cc1ccnc(O)n1	Cc1ccnc([O-])n1	mol2147	Cc1ccnc(O)n1
9.8	Datawarrior	0	-1	Cc1ccnc(O)n1	Cc1ccnc([O-])n1	mol2147	Cc1ccnc(O)n1
9.8000002	OCHEM	0	-1	Cc1ccnc(O)n1	Cc1ccnc([O-])n1	mol2147	Cc1ccnc(O)n1
3.06	IUPAC digitized pKa	1	0	Cc1ccnc(O)[nH+]1,Cc1cc[nH+]c(O)n1	Cc1ccnc(O)n1	mol2147	Cc1ccnc(O)n1
3.15	Datawarrior	1	0	Cc1ccnc(O)[nH+]1,Cc1cc[nH+]c(O)n1	Cc1ccnc(O)n1	mol2147	Cc1ccnc(O)n1