[
  {
    "molid": "mol14185",
    "smiles": "O=C(O)C(O)Cc1c[nH]cn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])[C@@H](O)Cc1c[nH]c[nH+]1",
        "std_free_energy": -11.115845680236816,
        "relative_population": 0.9996022818086655
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(O)[C@@H](O)Cc1c[nH]c[nH+]1",
        "std_free_energy": -2.6245481967926025,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])[C@@H](O)Cc1c[nH]cn1",
        "std_free_energy": -8.687196731567383,
        "relative_population": 0.9999998491152581
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.3200002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.99,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]