[
  {
    "molid": "mol19127",
    "smiles": "Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c2cc(OCCCN3CCCC3)c([O-])cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O",
        "std_free_energy": 3.8750417232513428,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cn1c2cc(OCCCN3CCCC3)c([O-])cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)[N-]C3=O",
        "std_free_energy": 13.29074478149414,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]