[
  {
    "molid": "mol38182",
    "smiles": "CN1C(=O)CN=C(c2ccc(Cl)cc2)c2cc(F)ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)CN=C(c2ccc(Cl)cc2)c2cc(F)ccc21",
        "std_free_energy": -6.243198394775391,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN1C(=[OH+])CN=C(c2ccc(Cl)cc2)c2cc(F)ccc21",
        "std_free_energy": 2.351564407348633,
        "relative_population": 0.07535890083518476
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN1C(=O)C[NH+]=C(c2ccc(Cl)cc2)c2cc(F)ccc21",
        "std_free_energy": -0.15557920932769775,
        "relative_population": 0.9246410991648153
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.98000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]