[
  {
    "molid": "mol26688",
    "smiles": "Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1c2ccccc2nc2ccc([N+](=O)[O-])cc12",
        "std_free_energy": -5.1158671379089355,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1c2ccccc2nc2ccc([N+](=O)[O-])cc12",
        "std_free_energy": -7.72783088684082,
        "relative_population": 0.3920394777682922
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1c2ccccc2[nH+]c2ccc([N+](=O)[O-])cc12",
        "std_free_energy": -8.16657829284668,
        "relative_population": 0.6079605222317079
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]