[
  {
    "molid": "mol34170",
    "smiles": "Cc1ccnc(N=Cc2ccc(O)cc2)n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1ccnc(N=Cc2ccc(O)cc2)n1",
        "std_free_energy": -7.259078025817871,
        "relative_population": 0.9987018949906283
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccnc(N=Cc2ccc([O-])cc2)n1",
        "std_free_energy": -1.516424536705017,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.44999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]