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        "molfile": "\n  Marvin  01132108472D          \n\n 32 30  0  0  0  0            999 V2000\n   11.3087   -5.8004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7198   -5.0818    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   11.7198   -6.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9029   -6.5164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4842   -5.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0680   -5.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.4080   -0.7521    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   13.9194   -1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8965   -0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2248   -0.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0771    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0923   -1.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8168   -7.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3105   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9905   -3.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4764   -2.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3010   -2.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7896   -1.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6089   -1.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1274   -6.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6159   -5.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4431   -5.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9264   -5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7458   -5.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2420   -4.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0589   -4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5474   -4.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3694   -4.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8580   -3.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6774   -3.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1737   -3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -7.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  6  5  1  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10  7  1  0  0  0  0\n 11  7  1  0  0  0  0\n 12  8  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 20  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 12  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 15  1  0  0  0  0\n 32 13  1  0  0  0  0\nM  CHG  2   2  -1   7   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]",
        "formula": "C25H54N.CH3O4S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "479.8022",
        "optical_activity": "NONE",
        "references": [
          "bbbde5a0-edd8-4c5a-a3fc-dbd622900174",
          "308303ff-6c31-46ef-9327-1d7578e7c935"
        ],
        "stereo_centers": 0
      },
      "unii": "5SHP745C61"
    }
  ]
}