[
  {
    "molid": "mol32783",
    "smiles": "CC1=CC(C)=NC1=Cc1[nH]c(C)cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=CC(C)=NC1=Cc1[nH]c(C)cc1C",
        "std_free_energy": -4.280449390411377,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=CC(C)=NC1=Cc1[n-]c(C)cc1C",
        "std_free_energy": 14.097234725952148,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.3999996,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.39999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]