[
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    "molid": "mol4297",
    "smiles": "Nc1nnnn1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nnnn1Cc1ccccc1",
        "std_free_energy": -6.77400016784668,
        "relative_population": 1.0
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      {
        "id": "1_1",
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        "smiles": "Nc1nn[nH+]n1Cc1ccccc1",
        "std_free_energy": 6.321367263793945,
        "relative_population": 0.21951939157412256
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1nnnn1Cc1ccccc1",
        "std_free_energy": 5.7621588706970215,
        "relative_population": 0.38400246276253547
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        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1n[nH+]nn1Cc1ccccc1",
        "std_free_energy": 6.685463905334473,
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        "id": "1_4",
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        "smiles": "Nc1[nH+]nnn1Cc1ccccc1",
        "std_free_energy": 6.215841293334961,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 1.44,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 1.4400001,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 1.44000005722046,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]