[
  {
    "molid": "mol29908",
    "smiles": "CC(Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O",
        "std_free_energy": -4.232509136199951,
        "relative_population": 0.9988670491524927
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H](Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)[O-]",
        "std_free_energy": -11.913447380065918,
        "relative_population": 0.9999998916094888
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]