[
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    "molid": "mol38222",
    "smiles": "Nc1cccc2c1nnn2[C@H]1C[C@H](O)[C@@H](CO)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2c1nnn2[C@H]1C[C@H](O)[C@@H](CO)O1",
        "std_free_energy": -7.77535343170166,
        "relative_population": 1.0
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      {
        "id": "1_3",
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        "smiles": "Nc1cccc2c1n[nH+]n2[C@H]1C[C@H](O)[C@@H](CO)O1",
        "std_free_energy": 3.951916217803955,
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        "id": "1_4",
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        "smiles": "Nc1cccc2c1[nH+]nn2[C@H]1C[C@H](O)[C@@H](CO)O1",
        "std_free_energy": 4.13532829284668,
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      {
        "id": "1_5",
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        "smiles": "[NH3+]c1cccc2c1nnn2[C@H]1C[C@H](O)[C@@H](CO)O1",
        "std_free_energy": 4.014407157897949,
        "relative_population": 0.3225767985240492
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    "macro_pka_values": [
      {
        "pka_value": 1.89999997615814,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]