pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.9	Baltruschat ChEMBL	1	0	O=C1CN(Cc2ccc(-c3cccc(C[NH+]4CCCCC4)n3)cc2)C(=O)N1CC1CC1,O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)[nH+]3)cc2)C(=O)N1CC1CC1	O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1	mol21401	O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)cc2)C(=O)N1CC1CC1