[
  {
    "molid": "mol38138",
    "smiles": "c1ccc(CONC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(CONC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1",
        "std_free_energy": -6.055213928222656,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(CO[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1",
        "std_free_energy": 0.7330584526062012,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]