[
  {
    "molid": "mol1132",
    "smiles": "c1ccc(CCCNC(Cc2ccccc2)Cc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(CCCNC(Cc2ccccc2)Cc2ccccc2)cc1",
        "std_free_energy": -1.4307773113250732,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)cc1",
        "std_free_energy": -9.202606201171875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]