pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.35000038146973	QSARToolbox	1	0	CC(C)NC[C@@H](O)COc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c2ccccc12	CC(C)NC[C@@H](O)COc1ccc(OC[C@@H](O)CNC(C)C)c2ccccc12	mol34482	CC(C)NCC(O)COc1ccc(OCC(O)CNC(C)C)c2ccccc12