[
  {
    "molid": "mol2745",
    "smiles": "O=C1CN(c2ccc(Cl)cc2Cl)C(=O)C1C(=O)C1CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CN(c2ccc(Cl)cc2Cl)C(=O)[C@H]1C(=O)C1CC1",
        "std_free_energy": -3.636107921600342,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CN(c2ccc(Cl)cc2Cl)C(=O)[C-]1C(=O)C1CC1",
        "std_free_energy": -6.902416229248047,
        "relative_population": 0.7837628048831426
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C1[CH-]N(c2ccc(Cl)cc2Cl)C(=O)[C@H]1C(=O)C1CC1",
        "std_free_energy": -5.417311191558838,
        "relative_population": 0.17750546409817972
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]