[
  {
    "molid": "mol7346",
    "smiles": "Cn1cc(-c2ccc([N+](=O)[O-])cc2)cnc1=N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1cc(-c2ccc([N+](=O)[O-])cc2)cnc1=N",
        "std_free_energy": -2.2372939586639404,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1cc(-c2ccc([N+](=O)[O-])cc2)cnc1=[NH2+]",
        "std_free_energy": -8.60672378540039,
        "relative_population": 0.6810946005844449
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1cc(-c2ccc([N+](=O)[O-])cc2)c[nH+]c1=N",
        "std_free_energy": -7.847917079925537,
        "relative_population": 0.31890539941555507
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.05,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]