[
  {
    "molid": "mol9370",
    "smiles": "O=C(O)Cn1cccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])Cn1ccc[nH+]1",
        "std_free_energy": -3.664853096008301,
        "relative_population": 0.5353585568252232
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(O)Cn1cccn1",
        "std_free_energy": -3.5231823921203613,
        "relative_population": 0.4646414431747769
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cn1cccn1",
        "std_free_energy": -12.46149730682373,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.31,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]