[
  {
    "molid": "mol37378",
    "smiles": "Oc1c(Cl)cc(Cl)cc1/C=N/c1nnc(-c2ccccc2)s1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Oc1c(Cl)cc(Cl)cc1/C=N/c1nnc(-c2ccccc2)s1",
        "std_free_energy": -4.866145133972168,
        "relative_population": 0.9977685451137056
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1c(Cl)cc(Cl)cc1/C=N/c1nnc(-c2ccccc2)s1",
        "std_free_energy": -4.450675010681152,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8600001335144,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]