[
  {
    "molid": "mol22612",
    "smiles": "O=C(O)CN(CC(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CC(=O)O)c1ccccc1",
        "std_free_energy": -3.64608097076416,
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        "smiles": "O=C(O)CN(CC(=O)O)c1ccccc1",
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        "relative_population": 0.28376365522135116
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        "id": "-1_1",
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        "smiles": "O=C([O-])C[NH+](CC(=O)[O-])c1ccccc1",
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        "relative_population": 0.8352416768801765
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        "smiles": "O=C([O-])CN(CC(=O)[O-])c1ccccc1",
        "std_free_energy": -10.754264831542969,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
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        "pka_value": 2.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.50999999046326,
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        "data_source": "QSARToolbox"
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        "pka_value": 2.40000009536743,
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      {
        "pka_value": 2.425,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 5.0,
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        "charge_state_post": -2,
        "data_source": "OCHEM"
      },
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        "pka_value": 5.17000007629395,
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        "data_source": "QSARToolbox"
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        "pka_value": 4.98000001907349,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
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      {
        "pka_value": 5.04,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 5.105,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]