pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.4	Baltruschat ChEMBL	0	-1	Cc1cc(O)n(Cc2cc(C)nn2-c2ccccc2)n1	Cc1cc([O-])n(Cc2cc(C)nn2-c2ccccc2)n1	mol16454	Cc1cc(O)n(Cc2cc(C)nn2-c2ccccc2)n1
2.3	Baltruschat ChEMBL	1	0	Cc1cc(Cn2[nH+]c(C)cc2O)n(-c2ccccc2)n1,Cc1cc(O)n(Cc2cc(C)[nH+]n2-c2ccccc2)n1	Cc1cc(O)n(Cc2cc(C)nn2-c2ccccc2)n1	mol16454	Cc1cc(O)n(Cc2cc(C)nn2-c2ccccc2)n1