pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.85	Baltruschat ChEMBL	1	0	O=C1NC[C@@H](c2ccccc2)C12CC[NH+]([C@H]1CCCC[C@H]1c1ccccc1)CC2	O=C1NC[C@@H](c2ccccc2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2	mol16082	O=C1NC[C@@H](c2ccccc2)C12CCN(C1CCCCC1c1ccccc1)CC2