[
  {
    "molid": "mol34598",
    "smiles": "c1ccc2c(c1)CNCCNCCNCCNC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc2c(c1)CNCCNCCNCCNC2",
        "std_free_energy": -1.7928013801574707,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc2c(c1)CNCCNCC[NH2+]CCNC2",
        "std_free_energy": -8.072537422180176,
        "relative_population": 0.39440116059453156
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1ccc2c(c1)CNCCNCCNCC[NH2+]C2",
        "std_free_energy": -8.501386642456055,
        "relative_population": 0.6055988394054684
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.86999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]