[
  {
    "molid": "mol33051",
    "smiles": "O=C(O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -2.4808833599090576,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
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        "smiles": "O=C([O-])CCCCC(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -7.981683731079102,
        "relative_population": 0.22696412620082826
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        "id": "-1_2",
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        "smiles": "O=C(O)CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.2072172164917,
        "relative_population": 0.7730358737991717
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        "id": "-2_1",
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        "smiles": "O=C([O-])CCCCC(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -10.423166275024414,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 4.28000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.58,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.3899998664856,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]