[
  {
    "molid": "mol15910",
    "smiles": "CCNNC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCNNC",
        "std_free_energy": -3.6607730388641357,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH2+]NC",
        "std_free_energy": -5.2032012939453125,
        "relative_population": 0.5266186817043349
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCN[NH2+]C",
        "std_free_energy": -5.096625804901123,
        "relative_population": 0.47338131829566504
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 7.25,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]