[
  {
    "molid": "mol32355",
    "smiles": "Cc1cc(N=Nc2nc3ccccc3s2)c2cccnc2c1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cc(N=Nc2nc3ccccc3s2)c2cccnc2c1O",
        "std_free_energy": -5.08843994140625,
        "relative_population": 0.9036256360511296
      },
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1cc(N=Nc2nc3ccccc3s2)c2ccc[nH+]c2c1[O-]",
        "std_free_energy": -2.849865198135376,
        "relative_population": 0.09633583923612199
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(N=Nc2nc3ccccc3s2)c2cccnc2c1[O-]",
        "std_free_energy": -2.712468147277832,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]