[
  {
    "molid": "mol2246",
    "smiles": "O=C(O)c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)c1ccc(O)cc1",
        "std_free_energy": -3.7252211570739746,
        "relative_population": 1.0
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        "smiles": "O=C([O-])c1ccc(O)cc1",
        "std_free_energy": -8.744140625,
        "relative_population": 0.9987156426435685
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        "smiles": "O=C([O-])c1ccc([O-])cc1",
        "std_free_energy": -2.047572612762451,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
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      },
      {
        "pka_value": 4.6,
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        "data_source": "IUPAC digitized pKa"
      },
      {
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        "data_source": "IUPAC digitized pKa"
      },
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        "data_source": "IUPAC digitized pKa"
      },
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        "data_source": "IUPAC digitized pKa"
      },
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        "data_source": "IUPAC digitized pKa"
      },
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        "data_source": "Datawarrior"
      },
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      },
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 9.02,
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "Datawarrior"
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        "pka_value": 9.4,
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]