[
  {
    "molid": "mol11583",
    "smiles": "CC(=O)C(C(C)=O)C1NC(=O)Nc2nccnc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(C(C)=O)[C@H]1NC(=O)Nc2nccnc21",
        "std_free_energy": -7.389716148376465,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)C(C(C)=O)[C@H]1[N-]C(=O)Nc2nccnc21",
        "std_free_energy": 0.5616704225540161,
        "relative_population": 0.13092886156543893
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(C(C)=O)[C@H]1NC(=O)Nc2nccnc21",
        "std_free_energy": 1.1349637508392334,
        "relative_population": 0.07380015308526107
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)[C-](C(C)=O)[C@H]1NC(=O)Nc2nccnc21",
        "std_free_energy": -1.0457515716552734,
        "relative_population": 0.6533259277559669
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "CC(=O)C(C(C)=O)[C@H]1NC(=O)[N-]c2nccnc21",
        "std_free_energy": 0.48088449239730835,
        "relative_population": 0.1419450575933332
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]