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Long-RInChIKey=SA-FUHFF-BRUOAURMAFDGLP-UHFFFAOYSA-N-IFFQSTWSRPRHBQ-UHFFFAOYSA-N-CDBYLPFSWZWCQE-UHFFFAOYSA-L-XLYOFNOQVPJJNP-UHFFFAOYSA-N--VAYHOCGAPLPGPV-UHFFFAOYSA-N--WYURNTSHIVDZCO-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-MYPFAQBABB-VAYHOCGAPL-WYURNTSHIV-LUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=OHAJFNYLIDIGNMJFT-LUHFFFADPSCTJSA