[
  {
    "molid": "mol33952",
    "smiles": "Nc1nc(=O)c2cc[nH]c2[nH]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nc(=O)c2cc[nH]c2[nH]1",
        "std_free_energy": -6.757510185241699,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1nc(=O)c2cc[nH]c2[nH]1",
        "std_free_energy": -1.2365655899047852,
        "relative_population": 0.3380273137876621
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1[nH]c2[nH]ccc2c(=O)[nH+]1",
        "std_free_energy": -1.8641197681427002,
        "relative_population": 0.6331332341453475
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]