[
  {
    "molid": "mol8835",
    "smiles": "N#Cc1cccc(NN)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1cccc(NN)c1",
        "std_free_energy": -6.017891883850098,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N#Cc1cccc([NH2+]N)c1",
        "std_free_energy": 1.0934839248657227,
        "relative_population": 0.26945660785174375
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N#Cc1cccc(N[NH3+])c1",
        "std_free_energy": 0.09610266238451004,
        "relative_population": 0.7305433921482563
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.47,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.46999979019165,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]