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2 3 0 0 0\n 15 16 1 0 0 0 0\n 17 18 1 0 0 0 0\n 19 20 1 0 0 0 0\n 20 21 1 0 0 0 0\n 21 22 1 0 0 0 0\n 22 23 2 0 0 0 0\n 19 23 1 0 0 0 0\n 22 24 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 21 25 1 0 0 0 0\n 18 20 2 3 0 0 0\n 16 17 2 3 0 0 0\n 16 32 1 0 0 0 0\n 3 6 1 0 0 0 0\n 3 4 1 0 0 0 0\n 6 7 1 0 0 0 0\n 4 5 2 0 0 0 0\n 7 8 1 0 0 0 0\n 1 5 1 0 0 0 0\n 8 9 1 0 0 0 0\n 9 10 1 0 0 0 0\n 10 11 1 0 0 0 0\n 11 12 1 0 0 0 0\n 2 13 1 0 0 0 0\n 4 14 1 0 0 0 0\n 39 40 1 0 0 0 0\n 40 41 1 0 0 0 0\n 41 42 1 0 0 0 0\n 42 43 1 0 0 0 0\n 43 44 1 0 0 0 0\n 33 32 1 0 0 0 0\n 32 34 2 0 0 0 0\n 34 35 1 0 0 0 0\n 35 36 2 0 0 0 0\n 33 36 1 0 0 0 0\n 35 37 1 0 0 0 0\n 34 38 1 0 0 0 0\n 38 39 1 0 0 0 0\n 1 2 1 0 0 0 0\n 2 3 2 0 0 0 0\nM CHG 4 3 1 34 1 45 -1 46 -1\nM STY 1 1 MUL\nM SCN 1 1 HT \nM SAL 1 2 45 46\nM SPA 1 1 45\nM SDI 1 4 23.1214 -7.1747 23.1214 -6.3347\nM SDI 1 4 23.9614 -6.3347 23.9614 -7.1747\nM SMT 1 2\nM END", "smiles": "CCCCCCC[n+]1c(C)csc1C=CC(=CC=C2N(CCCCCCC)C(=CS2)C)c3[n+](CCCCCCC)c(C)cs3.[I-].[I-]", "formula": "C38H61N3S3.2I", "atropisomerism": "No", "charge": 0, "count": 1, "stereochemistry": "ACHIRAL", "defined_stereo": 0, "ez_centers": 0, "molecular_weight": "909.9197", "optical_activity": "NONE", "references": [ "08562736-dc69-4c28-8ad7-5fbc8cca1eb9", "a8b5b971-e696-493d-be84-dec6c60fce9d" ], "stereo_centers": 0 }, "unii": "0X9JDS6MF1" } ] }