[
  {
    "molid": "mol8375",
    "smiles": "CN(C)c1c2ccccc2nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1c2ccccc2nc2ccccc12",
        "std_free_energy": -4.033545017242432,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)c1c2ccccc2[nH+]c2ccccc12",
        "std_free_energy": -10.166821479797363,
        "relative_population": 0.4244192087472764
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)c1c2ccccc2nc2ccccc12",
        "std_free_energy": -10.471479415893555,
        "relative_population": 0.5755807912527237
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.08,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]