[
  {
    "molid": "mol15130",
    "smiles": "CC(C)CCCN(C)CCCNC(=O)/C=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CCCN(C)CCCNC(=O)/C=N/O",
        "std_free_energy": -2.9753997325897217,
        "relative_population": 0.291361731041615
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)CCC[NH+](C)CCCNC(=O)/C=N/[O-]",
        "std_free_energy": -3.8641793727874756,
        "relative_population": 0.7086382689583849
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC(C)CCC[NH+](C)CCCNC(=O)/C=N/O",
        "std_free_energy": -9.435544967651367,
        "relative_population": 0.9837771104461958
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)CCCN(C)CCCNC(=O)/C=N/[O-]",
        "std_free_energy": 4.394806861877441,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.15,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.72,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]