PC-Substances ::= { { sid { id 129979534, version 3 }, source db { name "816", source-id str "5F1CA2B314D35F28C7F94168627B29E3" }, comment { "Additional information relative to associated patents", "Structure location(s): Body, Claims", "Molecule type(s): Whole Molecule", "InChIKey(s): ZZZYZHXVKYMQIN-UHFFFAOYSA-N" }, xref { regid "5F1CA2B314D35F28C7F94168627B29E3", dburl "http://www.ibm.com/gbs/nih/", sburl "http://www.ibm.com/gbs/nih/?sid=5F1CA2B314D35F28C7F94168627B29E3& ik=ZZZYZHXVKYMQIN-UHFFFAOYSA-N", patent "EP0094348A1", patent "US4566901", patent "US4759789", patent "US5032169", patent "US5041663" }, compound { { id { type deposited }, atoms { aid { 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17 }, element { cl, f, f, f, o, n, c, c, c, c, c, c, c, c, c, c, c } }, bonds { aid1 { 1, 2, 3, 4, 5, 5, 6, 7, 7, 9, 9, 10, 11, 12, 12, 15, 16 }, aid2 { 12, 8, 8, 8, 6, 15, 7, 8, 9, 10, 11, 13, 14, 13, 14, 16, 17 }, order { single, single, single, single, single, single, double, single, single, double, single, single, double, double, single, single, single } }, charge 0 }, { id { type standardized, id cid 54575060 } } } } }