pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.5	Baltruschat ChEMBL	0	-1	Cc1cc(OCc2cc(C)nn2-c2ccccc2)[nH]n1	Cc1cc(OCc2cc(C)nn2-c2ccccc2)[n-]n1	mol16453	Cc1cc(OCc2cc(C)nn2-c2ccccc2)[nH]n1
2.4	Baltruschat ChEMBL	1	0	Cc1cc(OCc2cc(C)[nH+]n2-c2ccccc2)[nH]n1,Cc1cc(COc2cc(C)[nH+][nH]2)n(-c2ccccc2)n1	Cc1cc(OCc2cc(C)nn2-c2ccccc2)[nH]n1	mol16453	Cc1cc(OCc2cc(C)nn2-c2ccccc2)[nH]n1