[
  {
    "molid": "mol8841",
    "smiles": "Cc1ccc(NN)c(C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(NN)c(C)c1",
        "std_free_energy": -5.265937805175781,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccc([NH2+]N)c(C)c1",
        "std_free_energy": -1.7950358390808105,
        "relative_population": 0.3741236054997373
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccc(N[NH3+])c(C)c1",
        "std_free_energy": -2.3096024990081787,
        "relative_population": 0.6258763945002627
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.72,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.71999979019165,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]