pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.44999980926514	QSARToolbox	1	0	CC(=O)O[C@@H](C[NH2+]C(C)C)COc1cccc2ccccc12	CC(=O)O[C@@H](CNC(C)C)COc1cccc2ccccc12	mol34477	CC(=O)OC(CNC(C)C)COc1cccc2ccccc12
9.27999973297119	QSARToolbox	1	0	CC(=O)O[C@@H](C[NH2+]C(C)C)COc1cccc2ccccc12	CC(=O)O[C@@H](CNC(C)C)COc1cccc2ccccc12	mol34477	CC(=O)OC(CNC(C)C)COc1cccc2ccccc12