[
  {
    "molid": "mol38438",
    "smiles": "CCC(C)[C@H](N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](C)[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -12.319011688232422,
        "relative_population": 0.9999884539653787
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@@H](C)[C@H]([NH3+])C(=O)O",
        "std_free_energy": -2.62095308303833,
        "relative_population": 0.9973477730888958
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.25999999046326,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]