[
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    "molid": "mol15787",
    "smiles": "CCOC(=O)Nc1ncnc2nc[nH]c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
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        "std_free_energy": -7.163693904876709,
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        "smiles": "CCOC(=O)Nc1nc[nH+]c2nc[nH]c12",
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        "smiles": "CCOC(=O)Nc1ncnc2[nH+]c[nH]c12",
        "std_free_energy": 3.4735891819000244,
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        "id": "1_3",
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        "id": "-2_1",
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        "smiles": "CCOC(=O)[N-]c1ncnc2nc[n-]c12",
        "std_free_energy": 9.471151351928711,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 9.63,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.6300001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 2.4,
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        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
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        "pka_value": 2.4000001,
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        "data_source": "OCHEM"
      },
      {
        "pka_value": 12.2,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Datawarrior"
      }
    ]
  }
]