[
  {
    "molid": "mol16124",
    "smiles": "Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)cn1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(Oc2ccccc2Oc2ccccc2)c(CN(C)C)c[nH+]1",
        "std_free_energy": -6.061221599578857,
        "relative_population": 0.17129628243042483
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(Oc2ccccc2Oc2ccccc2)c(C[NH+](C)C)cn1",
        "std_free_energy": -7.637689590454102,
        "relative_population": 0.8287037175695752
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1cc(Oc2ccccc2Oc2ccccc2)c(C[NH+](C)C)c[nH+]1",
        "std_free_energy": -3.8529305458068848,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.4,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]