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Long-RInChIKey=SA-FUHFF-ZIXJXGZTXWDLOI-UHFFFAOYSA-N-MXFYYFVVIIWKFE-UHFFFAOYSA-N-MFRIHAYPQRLWNB-UHFFFAOYSA-N-XKWZLZLVNFUCBL-UHFFFAOYSA-N--DVBSTJFLWXUBPD-UHFFFAOYSA-N--CYPYTURSJDMMMP-UHFFFAOYSA-N-YXFVVABEGXRONW-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-NYBAFRLSYX-DVBSTJFLWX-ISMMBBLDAW-NUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=ZCRWBOWXVBRPHXWVM-NUHFFFADPSCTJSA