[
  {
    "molid": "mol18684",
    "smiles": "O=C(O)Cc1cccc(Nc2c3ccccc3nc3ccccc23)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])Cc1cccc([NH2+]c2c3ccccc3nc3ccccc23)c1",
        "std_free_energy": -10.949121475219727,
        "relative_population": 0.373324823655813
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])Cc1cccc(Nc2c3ccccc3[nH+]c3ccccc23)c1",
        "std_free_energy": -11.466806411743164,
        "relative_population": 0.626490629991656
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])Cc1cccc(Nc2c3ccccc3nc3ccccc23)c1",
        "std_free_energy": -6.43358039855957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.82,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]