[
  {
    "molid": "mol18327",
    "smiles": "Cc1cc(C(=O)N2CCCC2c2ccc(-c3cccc(Cl)c3)nc2)no1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(-c3cccc(Cl)c3)nc2)no1",
        "std_free_energy": -6.350440979003906,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(-c3cccc(Cl)c3)[nH+]c2)no1",
        "std_free_energy": -0.20719486474990845,
        "relative_population": 0.72248681797965
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(-c3cccc(Cl)c3)nc2)[nH+]o1",
        "std_free_energy": 0.7496358752250671,
        "relative_population": 0.27751318202035
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]