[
  {
    "molid": "mol34808",
    "smiles": "CC(NOC(C)(C)C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](NOC(C)(C)C)C(=O)O",
        "std_free_energy": -3.5596299171447754,
        "relative_population": 0.363509961275543
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[C@@H]([NH2+]OC(C)(C)C)C(=O)[O-]",
        "std_free_energy": -4.1197919845581055,
        "relative_population": 0.6364900387244569
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H](NOC(C)(C)C)C(O)=[OH+]",
        "std_free_energy": 3.0544962882995605,
        "relative_population": 0.3613104520360393
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@H]([NH2+]OC(C)(C)C)C(=O)O",
        "std_free_energy": 2.4848153591156006,
        "relative_population": 0.6386895479639606
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.0900000333786,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]