pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.38	SAMPL8	1	0	COc1cc(Cc2c(OC)nc(N)[nH+]c2N)cc(OC)c1O,COc1cc(Cc2c(N)nc([NH3+])nc2OC)cc(OC)c1O,COc1cc(Cc2c(N)nc(N)[nH+]c2OC)cc(OC)c1O,COc1cc(Cc2c([NH3+])nc(N)nc2OC)cc(OC)c1O	COc1cc(Cc2c(N)nc(N)nc2OC)cc(OC)c1O	SAMPL8-21	COc1cc(Cc2c(N)nc(N)nc2OC)cc(OC)c1O