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. Author manuscript; available in PMC: 2021 Jan 7.
Published in final edited form as: Comput Toxicol. 2019 Nov 1;12:10.1016/j.comtox.2019.100096. doi: 10.1016/j.comtox.2019.100096

Fig. 5.

Fig. 5.

Two ChemID substance records listing the same structure (and InChIKey) for two different Substance Names and CAS RNs. In this case, the Names and CAS RNs are correctly paired, but the structure assigned to the top record is an approximate representation given that the position of the triple bond is unspecified.