[
  {
    "molid": "mol13324",
    "smiles": "O=C(O)/C=C/C(=O)CC(=O)CC(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
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        "smiles": "O=C([O-])/C=C/C(=O)[CH-]C(=O)CC(=O)[O-]",
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        "relative_population": 0.2215984008474374
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        "id": "-3_2",
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        "smiles": "O=C(O)/C=C/C(=O)[CH-]C(=O)[CH-]C(=O)[O-]",
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        "relative_population": 0.12871306957121306
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        "id": "-3_3",
        "charge": -3,
        "smiles": "O=C([O-])/C=C/C(=O)[CH-]C(=O)[CH-]C(=O)O",
        "std_free_energy": -5.321037292480469,
        "relative_population": 0.39481136338149675
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        "id": "-3_4",
        "charge": -3,
        "smiles": "O=C([O-])/C=C/C(=O)CC(=O)[CH-]C(=O)[O-]",
        "std_free_energy": -4.883410930633545,
        "relative_population": 0.2548771661998528
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        "id": "-1_1",
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        "smiles": "O=C(O)/C=C/C(=O)CC(=O)CC(=O)[O-]",
        "std_free_energy": -7.019964218139648,
        "relative_population": 0.5276521532028002
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      {
        "id": "-1_2",
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        "smiles": "O=C([O-])/C=C/C(=O)CC(=O)CC(=O)O",
        "std_free_energy": -6.909242630004883,
        "relative_population": 0.4723478467971997
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      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])/C=C/C(=O)CC(=O)CC(=O)[O-]",
        "std_free_energy": -10.36703872680664,
        "relative_population": 1.0
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    ],
    "macro_pka_values": [
      {
        "pka_value": 3.6,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.4,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "Datawarrior"
      }
    ]
  }
]