[
  {
    "molid": "mol7901",
    "smiles": "CCc1ncc2ccccc2n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCc1ncc2ccccc2n1",
        "std_free_energy": -7.325867176055908,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCc1ncc2ccccc2[nH+]1",
        "std_free_energy": -0.5861245393753052,
        "relative_population": 0.6662439379593139
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCc1nc2ccccc2c[nH+]1",
        "std_free_energy": 0.10512096434831619,
        "relative_population": 0.33375606204068614
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.51,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]