[
  {
    "molid": "mol35543",
    "smiles": "Nc1cccc(-c2cccc(Br)n2)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc(-c2cccc(Br)n2)n1",
        "std_free_energy": -6.862661361694336,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cccc(-c2cccc(Br)[nH+]2)n1",
        "std_free_energy": -1.324949026107788,
        "relative_population": 0.18473619858764273
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1cccc(-c2cccc(Br)n2)n1",
        "std_free_energy": -1.8700374364852905,
        "relative_population": 0.3186257651915733
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cccc(-c2cccc(Br)n2)[nH+]1",
        "std_free_energy": -2.3138816356658936,
        "relative_population": 0.496638036220784
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    ],
    "macro_pka_values": [
      {
        "pka_value": 5.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]