pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.0	Baltruschat ChEMBL	1	0	Nc1ccc[nH+]c1N1CCc2ccccc2C1,[NH3+]c1cccnc1N1CCc2ccccc2C1,Nc1cccnc1[NH+]1CCc2ccccc2C1	Nc1cccnc1N1CCc2ccccc2C1	mol18452	Nc1cccnc1N1CCc2ccccc2C1