[
  {
    "molid": "mol14660",
    "smiles": "CCCNc1ccncc1S(=O)(=O)NC(=O)NC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCNc1ccncc1S(=O)(=O)NC(=O)NC(C)C",
        "std_free_energy": -5.078157901763916,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCNc1ccncc1S(=O)(=O)[N-]C(=O)NC(C)C",
        "std_free_energy": -5.661980152130127,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.5799999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]