[
  {
    "molid": "mol33973",
    "smiles": "O=C1CN2CCOC2(c2ccccc2Cl)c2cc(Cl)ccc2N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CN2CCO[C@@]2(c2ccccc2Cl)c2cc(Cl)ccc2N1",
        "std_free_energy": -6.97434139251709,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CN2CCO[C@@]2(c2ccccc2Cl)c2cc(Cl)ccc2[N-]1",
        "std_free_energy": 5.655195236206055,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.8000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]