[
  {
    "molid": "mol32356",
    "smiles": "Cc1cc(N=Nc2nc3ccccc3s2)c(O)c2ncccc12",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(N=Nc2nc3ccccc3s2)c(O)c2ncccc12",
        "std_free_energy": -7.098380088806152,
        "relative_population": 0.9972868697896997
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(N=Nc2nc3ccccc3s2)c([O-])c2ncccc12",
        "std_free_energy": -0.12588845193386078,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.6000004,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.60000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]