[
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    "molid": "mol13089",
    "smiles": "Nc1nnnn1CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1nnnn1CC(=O)O",
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        "relative_population": 0.9802517548719344
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        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1n[nH+]nn1CC(=O)O",
        "std_free_energy": 9.844598770141602,
        "relative_population": 0.13144682719991949
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        "id": "1_4",
        "charge": 1,
        "smiles": "Nc1[nH+]nnn1CC(=O)O",
        "std_free_energy": 8.746155738830566,
        "relative_population": 0.39427374222028017
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      {
        "id": "1_5",
        "charge": 1,
        "smiles": "[NH3+]c1nnnn1CC(=O)O",
        "std_free_energy": 9.00947380065918,
        "relative_population": 0.3029983571150728
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        "id": "1_6",
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        "smiles": "Nc1nn[nH+]n1CC(=O)O",
        "std_free_energy": 9.857885360717773,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.38,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.3800001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.38000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]