[
  {
    "molid": "mol11671",
    "smiles": "CCC(C(=O)O)(C(=O)O)c1cccc(C)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCC(C(=O)[O-])(C(=O)O)c1cccc(C)c1",
        "std_free_energy": -10.089672088623047,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCC(C(=O)[O-])(C(=O)[O-])c1cccc(C)c1",
        "std_free_energy": -11.320043563842773,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.21,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.24,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]