[
  {
    "molid": "mol34683",
    "smiles": "CC(=O)C(=O)NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(=O)NO",
        "std_free_energy": -5.624431610107422,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)C(=O)N[O-]",
        "std_free_energy": -1.9799433946609497,
        "relative_population": 0.7169628247546405
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)C(=O)[N-]O",
        "std_free_energy": -1.0418111085891724,
        "relative_population": 0.28058920754459143
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]