[
  {
    "molid": "mol38610",
    "smiles": "CC(=O)OCC(=O)C(C)=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)OCC(=O)C(C)=NO",
        "std_free_energy": -6.147124290466309,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)OCC(=O)C(C)=N[O-]",
        "std_free_energy": -0.8748456835746765,
        "relative_population": 0.7446268891298191
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)O[CH-]C(=O)C(C)=NO",
        "std_free_energy": 0.19531193375587463,
        "relative_population": 0.25537311087018083
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]