[
  {
    "molid": "mol12282",
    "smiles": "O=C(O)C1=CC(=C(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)C=CC1=O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "O=C([O-])C1=CC(=C(c2ccc([O-])c(C(=O)[O-])c2)c2ccc(O)c(C(=O)[O-])c2)C=CC1=O",
        "std_free_energy": -3.258946657180786,
        "relative_population": 0.9995370626260082
      },
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])C1=CC(=C(c2ccc(O)c(C(=O)[O-])c2)c2ccc(O)c(C(=O)[O-])c2)C=CC1=O",
        "std_free_energy": -12.593456268310547,
        "relative_population": 0.999385903634899
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.65,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.85,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.93,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.76,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]