pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Jensen	1	0	C[C@@H](CN1c2ccccc2CCc2ccccc21)C[NH+](C)C	C[C@H](CN(C)C)CN1c2ccccc2CCc2ccccc21	mol2603	C[C@H](CN(C)C)CN1c2ccccc2CCc2ccccc21