[
  {
    "molid": "mol33953",
    "smiles": "CC1C(=O)N(C)C(=O)N(C)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1C(=O)N(C)C(=O)N(C)C1=O",
        "std_free_energy": -4.851665496826172,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[c-]1c(=O)n(C)c(=O)n(C)c1=O",
        "std_free_energy": -0.9159510731697083,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]