pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	Baltruschat ChEMBL	1	0	O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC([NH+]2CCCC2)CC1	O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCCC2)CC1	mol19991	O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(N2CCCC2)CC1