[
  {
    "molid": "mol16593",
    "smiles": "OCCNc1c2ccccc2nc2c1oc1ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OCCNc1c2ccccc2nc2c1oc1ccccc12",
        "std_free_energy": -4.936182498931885,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "OCCNc1c2ccccc2[nH+]c2c1oc1ccccc12",
        "std_free_energy": -7.104377746582031,
        "relative_population": 0.5260724358680952
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OCC[NH2+]c1c2ccccc2nc2c1oc1ccccc12",
        "std_free_energy": -6.999993324279785,
        "relative_population": 0.47392756413190484
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]