[
  {
    "molid": "mol34728",
    "smiles": "CC(=O)N[C@H]1CC(=O)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)N[C@H]1CC(=O)NC1=O",
        "std_free_energy": -6.3436970710754395,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)[N-][C@H]1CC(=O)NC1=O",
        "std_free_energy": 0.26603463292121887,
        "relative_population": 0.2376026396622979
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)N[C@H]1CC(=O)[N-]C1=O",
        "std_free_energy": -0.8998335599899292,
        "relative_population": 0.7623973603377022
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]