pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.41	Baltruschat ChEMBL	1	0	COc1cccc(C(=O)NCC[NH+]2CCN(c3ccc(C#N)cc3)CC2)c1	COc1cccc(C(=O)NCCN2CCN(c3ccc(C#N)cc3)CC2)c1	mol20575	COc1cccc(C(=O)NCCN2CCN(c3ccc(C#N)cc3)CC2)c1