[
  {
    "molid": "mol28073",
    "smiles": "N=C(NCCc1ccccc1)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(NCCc1ccccc1)N[N+](=O)[O-]",
        "std_free_energy": -5.334476470947266,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])NCCc1ccccc1",
        "std_free_energy": -4.4630208015441895,
        "relative_population": 0.9338020720102002
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[N-]=C(NCCc1ccccc1)N[N+](=O)[O-]",
        "std_free_energy": -1.8117625713348389,
        "relative_population": 0.06589129055399653
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]