[
  {
    "molid": "mol33261",
    "smiles": "c1ccc(C2CCCNC2)nc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc([C@@H]2CCC[NH2+]C2)nc1",
        "std_free_energy": -9.349678039550781,
        "relative_population": 0.974050188882389
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "c1ccc([C@@H]2CCC[NH2+]C2)[nH+]c1",
        "std_free_energy": -2.615206718444824,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.82,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]