pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Datawarrior	0	-1	Cc1cnc(-c2ccccc2)c(O)n1	Cc1cnc(-c2ccccc2)c([O-])n1	mol13403	Cc1cnc(-c2ccccc2)c(O)n1
9.3000002	OCHEM	0	-1	Cc1cnc(-c2ccccc2)c(O)n1	Cc1cnc(-c2ccccc2)c([O-])n1	mol13403	Cc1cnc(-c2ccccc2)c(O)n1
0.7	Datawarrior	1	0	Cc1c[nH+]c(-c2ccccc2)c(O)n1,Cc1cnc(-c2ccccc2)c(O)[nH+]1	Cc1cnc(-c2ccccc2)c(O)n1	mol13403	Cc1cnc(-c2ccccc2)c(O)n1
0.69999999	OCHEM	1	0	Cc1c[nH+]c(-c2ccccc2)c(O)n1,Cc1cnc(-c2ccccc2)c(O)[nH+]1	Cc1cnc(-c2ccccc2)c(O)n1	mol13403	Cc1cnc(-c2ccccc2)c(O)n1
-6.0	Datawarrior	2	1	Cc1c[nH+]c(-c2ccccc2)c(O)[nH+]1	Cc1c[nH+]c(-c2ccccc2)c(O)n1,Cc1cnc(-c2ccccc2)c(O)[nH+]1	mol13403	Cc1cnc(-c2ccccc2)c(O)n1