pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	Novartis	1	0	COc1ccc(/C=C/C(=O)N2CC[NH+](c3ccccn3)CC2)cc1,COc1ccc(/C=C/C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1	COc1ccc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1	mol2850	COc1ccc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1