[
  {
    "molid": "mol38030",
    "smiles": "CN(C)/C=N/c1ccc([N+](=O)[O-])cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)/C=N/c1ccc([N+](=O)[O-])cn1",
        "std_free_energy": -5.367804527282715,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)/C=N/c1ccc([N+](=O)[O-])c[nH+]1",
        "std_free_energy": -2.860295057296753,
        "relative_population": 0.1321713266898804
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CN(C)/C=[NH+]/c1ccc([N+](=O)[O-])cn1",
        "std_free_energy": -4.742190361022949,
        "relative_population": 0.8678286733101195
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.36999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]