[
  {
    "molid": "mol36416",
    "smiles": "CN(C)c1cccc2c(S(=O)(=O)NCCN3CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC3)cccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(C)c1cccc2c(S(=O)(=O)NCCN3CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC3)cccc12",
        "std_free_energy": -7.245908260345459,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)c1cccc2c(S(=O)(=O)NCCN3CCN(CC([NH-])=O)CCN(CC(N)=O)CCN(CC(N)=O)CC3)cccc12",
        "std_free_energy": 5.42303991317749,
        "relative_population": 0.060496642897221516
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN(C)c1cccc2c(S(=O)(=O)NCCN3CCN(CC(N)=O)CCN(CC([NH-])=O)CCN(CC(N)=O)CC3)cccc12",
        "std_free_energy": 5.271556854248047,
        "relative_population": 0.07039138849195513
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CN(C)c1cccc2c(S(=O)(=O)[N-]CCN3CCN(CC(N)=O)CCN(CC(N)=O)CCN(CC(N)=O)CC3)cccc12",
        "std_free_energy": 2.7581558227539062,
        "relative_population": 0.8691119686108234
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.6000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]