[
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    "molid": "mol31397",
    "smiles": "O=C(CC(=O)NO)NO",
    "microspecies": [
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        "smiles": "O=C([CH-]C(=O)NO)N[O-]",
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        "id": "-2_3",
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        "smiles": "O=C(CC(=O)[N-]O)[N-]O",
        "std_free_energy": 6.560971260070801,
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      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=C(CC(=O)N[O-])[N-]O",
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      {
        "id": "-2_6",
        "charge": -2,
        "smiles": "O=C(CC(=O)NO)[N-][O-]",
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        "relative_population": 0.5663654144047464
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.14000034332275,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.14,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 9.63,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]