pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.36999988555908	QSARToolbox	1	0	CC(C)NC[C@@H](O)COc1ccccc1-c1ccccc1OC[C@@H](O)C[NH2+]C(C)C	CC(C)NC[C@@H](O)COc1ccccc1-c1ccccc1OC[C@@H](O)CNC(C)C	mol34489	CC(C)NCC(O)COc1ccccc1-c1ccccc1OCC(O)CNC(C)C