[
  {
    "molid": "mol32347",
    "smiles": "Oc1ccc(N=Nc2nc3ccccc3s2)c2cccnc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccc(N=Nc2nc3ccccc3s2)c2cccnc12",
        "std_free_energy": -5.368803024291992,
        "relative_population": 0.9305191521465004
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1ccc(N=Nc2nc3ccccc3s2)c2ccc[nH+]c12",
        "std_free_energy": -2.773662567138672,
        "relative_population": 0.069449661929112
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccc(N=Nc2nc3ccccc3s2)c2cccnc12",
        "std_free_energy": -3.7437257766723633,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1999998,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]