[
  {
    "molid": "mol35565",
    "smiles": "Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)nc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])[nH+]c1",
        "std_free_energy": -4.505388259887695,
        "relative_population": 0.36160126344886684
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc([NH+]=Cc2cc([N+](=O)[O-])ccc2[O-])nc1",
        "std_free_energy": -3.279832124710083,
        "relative_population": 0.10616409757496591
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)nc1",
        "std_free_energy": -4.89193058013916,
        "relative_population": 0.5322346389761673
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])nc1",
        "std_free_energy": -4.143193244934082,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.16400003433228,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]