pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.4	Baltruschat ChEMBL	1	0	C1CCN2C[C@H]3C[C@H](C[NH+]4CCCC[C@@H]34)[C@H]2C1	C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1	mol16676	C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1