[
  {
    "molid": "mol370",
    "smiles": "CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCOc1cc(CC(=O)N[C@H](CC(C)C)c2ccccc2[NH+]2CCCCC2)ccc1C(=O)[O-]",
        "std_free_energy": -6.9758710861206055,
        "relative_population": 0.9691295323361103
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCOc1cc(CC(=O)N[C@H](CC(C)C)c2ccccc2[NH+]2CCCCC2)ccc1C(=O)O",
        "std_free_energy": 1.4720343351364136,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.75,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]