[
  {
    "molid": "mol18509",
    "smiles": "CN(C)CCCc1ccc(-c2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)CCCc1ccc(-c2ccc(O)cc2)cc1",
        "std_free_energy": -2.401655912399292,
        "relative_population": 0.38458277410857195
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[NH+](C)CCCc1ccc(-c2ccc([O-])cc2)cc1",
        "std_free_energy": -2.8717973232269287,
        "relative_population": 0.6154172258914281
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)CCCc1ccc(-c2ccc([O-])cc2)cc1",
        "std_free_energy": 5.301466464996338,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.32,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]