pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	Baltruschat ChEMBL	1	0	COc1cccc(C[C@@H]2CCC[NH2+]C2)c1	COc1cccc(C[C@@H]2CCCNC2)c1	mol19252	COc1cccc(CC2CCCNC2)c1