[
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    "molid": "mol32198",
    "smiles": "O=C(C[n+]1cccc(/C=N/O)c1)Nc1nc(-c2ccccc2)cs1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(C[n+]1cccc(/C=N/O)c1)[N-]c1nc(-c2ccccc2)cs1",
        "std_free_energy": -4.772688388824463,
        "relative_population": 0.8729036134962798
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(C[n+]1cccc(/C=N/[O-])c1)Nc1nc(-c2ccccc2)cs1",
        "std_free_energy": -2.8278956413269043,
        "relative_population": 0.12483993464350328
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      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(C[n+]1cccc(/C=N/[O-])c1)[N-]c1nc(-c2ccccc2)cs1",
        "std_free_energy": -2.3396246433258057,
        "relative_population": 0.9565364902294746
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.85,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]