pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.9	Baltruschat ChEMBL	1	0	CCC(CC)Nc1cc(C)[nH+]c(Oc2c(C)cc(C)cc2C)c1C,CCC(CC)[NH2+]c1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C	CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C	mol16322	CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C