[
  {
    "molid": "mol38265",
    "smiles": "Oc1ccccc1/C=N/CC/N=C/c1ccccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccccc1/C=N/CC/N=C/c1ccccc1O",
        "std_free_energy": -5.460694313049316,
        "relative_population": 0.6777830409567513
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      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1ccccc1/C=N/CC/[NH+]=C/c1ccccc1O",
        "std_free_energy": -3.4735000133514404,
        "relative_population": 0.0929101538395728
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        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1ccccc1/C=[NH+]/CC/N=C/c1ccccc1O",
        "std_free_energy": -4.376920700073242,
        "relative_population": 0.229305144472257
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      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Oc1ccccc1/C=N/CC/[NH+]=C/c1ccccc1O",
        "std_free_energy": -4.43435001373291,
        "relative_population": 0.9792949057773386
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.52999973297119,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]