pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.59	Baltruschat ChEMBL	1	0	COc1ccccc1OC[C@H](O)C[NH+]1CCN(CC(=O)Nc2c(C)cccc2C)CC1,COc1ccccc1OC[C@H](O)CN1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1	COc1ccccc1OC[C@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1	mol20857	COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1