pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.97	Baltruschat ChEMBL	1	0	CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)[nH+]c2C)c1C,CCC(CC)Oc1cc(C)[nH+]c(Oc2c(C)cc(C)nc2C)c1C	CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)nc2C)c1C	mol16241	CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)nc2C)c1C