[
  {
    "molid": "mol15715",
    "smiles": "Cc1c(O)c(=O)n(-c2ccccc2)n1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(O)c(=O)n(-c2ccccc2)n1C",
        "std_free_energy": -6.524720191955566,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1c(O)c(=[OH+])n(-c2ccccc2)n1C",
        "std_free_energy": 9.492365837097168,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -0.22,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]