[
  {
    "molid": "mol19559",
    "smiles": "CN(C)CC1C2c3ccccc3C(c3ccccc32)C1CN(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)C[C@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@@H]1CN(C)C",
        "std_free_energy": -0.7680052518844604,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CN(C)C[C@H]1[C@H]2c3ccccc3[C@H](c3ccccc32)[C@@H]1C[NH+](C)C",
        "std_free_energy": -7.490500450134277,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.19,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]