[
  {
    "molid": "mol18672",
    "smiles": "O=C1NC(c2ccccc2)CC(O)=C1Nc1ccccc1Cl",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C1N[C@H](c2ccccc2)CC(O)=C1Nc1ccccc1Cl",
        "std_free_energy": -5.756009101867676,
        "relative_population": 0.9999967226819648
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1N[C@H](c2ccccc2)CC([O-])=C1Nc1ccccc1Cl",
        "std_free_energy": -2.795564651489258,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]