[
  {
    "molid": "mol32999",
    "smiles": "CCC(C#N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@@H](C#N)C(=O)O",
        "std_free_energy": -2.1061935424804688,
        "relative_population": 0.9998274494195825
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@@H](C#N)C(=O)[O-]",
        "std_free_energy": -12.017359733581543,
        "relative_population": 0.9999999464516366
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.42,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.42000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]