[
  {
    "molid": "mol35288",
    "smiles": "NNP(=O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNP(=O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -6.42777681350708,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NNP(=[OH+])(c1ccccc1)c1ccccc1",
        "std_free_energy": 3.022069215774536,
        "relative_population": 0.1569253539948146
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]NP(=O)(c1ccccc1)c1ccccc1",
        "std_free_energy": 1.340783953666687,
        "relative_population": 0.8430746460051853
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.01999998092651,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]