[
  {
    "molid": "mol9327",
    "smiles": "CC(CC(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H](CC(=O)O)C(=O)O",
        "std_free_energy": -2.327458381652832,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@H](CC(=O)[O-])C(=O)O",
        "std_free_energy": -8.664484977722168,
        "relative_population": 0.4255299270265161
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](CC(=O)O)C(=O)[O-]",
        "std_free_energy": -8.964597702026367,
        "relative_population": 0.5744700729734838
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@@H](CC(=O)[O-])C(=O)[O-]",
        "std_free_energy": -10.901102066040039,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.88,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 3.91000008583069,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.13000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 5.35,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.79,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.6399998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]