[
  {
    "molid": "mol25377",
    "smiles": "O=C(O)c1nn[nH]c1C(=O)O",
    "microspecies": [
      {
        "id": "0_4",
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        "std_free_energy": 1.133504033088684,
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        "relative_population": 1.0
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        "smiles": "O=C(O)c1nn[nH]c1C(=O)[O-]",
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        "smiles": "O=C([O-])c1nn[nH]c1C(=O)[O-]",
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        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C([O-])c1nn[n-]c1C(=O)O",
        "std_free_energy": -8.801993370056152,
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      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C(O)c1nn[n-]c1C(=O)[O-]",
        "std_free_energy": -9.982635498046875,
        "relative_population": 0.5526538142052178
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.86,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 5.9,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.3,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]