[
  {
    "molid": "mol33053",
    "smiles": "O=C(O)CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -2.7345590591430664,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
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        "smiles": "O=C([O-])CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -8.10791015625,
        "relative_population": 0.2491436532573376
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        "id": "-1_2",
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        "smiles": "O=C(O)CCCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.211094856262207,
        "relative_population": 0.7508563467426623
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      {
        "id": "-2_1",
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        "smiles": "O=C([O-])CCCCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.817510604858398,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.32999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.63,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.38000011444092,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]