[
  {
    "molid": "mol10577",
    "smiles": "COC(=O)c1ccc(C(=O)O)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)c1ccc(C(=O)O)nc1",
        "std_free_energy": -3.762463331222534,
        "relative_population": 0.544774493192359
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COC(=O)c1ccc(C(=O)[O-])[nH+]c1",
        "std_free_energy": -3.5828843116760254,
        "relative_population": 0.45522550680764096
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)c1ccc(C(=O)[O-])nc1",
        "std_free_energy": -11.135680198669434,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.62,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]