[
  {
    "molid": "mol17260",
    "smiles": "Cc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(C(CCCN)(c2ccccc2)c2ccccc2)c1",
        "std_free_energy": -1.1693854331970215,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc(C(CCC[NH3+])(c2ccccc2)c2ccccc2)c1",
        "std_free_energy": -8.603179931640625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]