[
  {
    "molid": "mol38253",
    "smiles": "O=C(Nc1nnn[nH]1)c1ccccc1O",
    "microspecies": [
      {
        "id": "-1_1",
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        "smiles": "O=C(Nc1nnn[nH]1)c1ccccc1[O-]",
        "std_free_energy": -1.7864534854888916,
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        "smiles": "O=C([N-]c1nnn[nH]1)c1ccccc1O",
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        "id": "-1_3",
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        "smiles": "O=C(Nc1nnn[n-]1)c1ccccc1O",
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        "id": "-2_1",
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        "smiles": "O=C(Nc1nnn[n-]1)c1ccccc1[O-]",
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        "id": "-2_2",
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        "smiles": "O=C([N-]c1nnn[n-]1)c1ccccc1O",
        "std_free_energy": -0.8599393963813782,
        "relative_population": 0.3585803630204393
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    ],
    "macro_pka_values": [
      {
        "pka_value": 6.63000011444092,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]