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. Author manuscript; available in PMC: 2019 Nov 13.
Published in final edited form as: J Chem Theory Comput. 2018 Oct 30;14(11):6076–6092. doi: 10.1021/acs.jctc.8b00640

Figure 7. Example molecules from the AlkEthOH (alkanes, ethers, and alcohols) 1500 molecule set.

Figure 7.

Selected cyclic compounds are shown at left, and selected chain compounds are shown at right. While the set consists only of alkanes, ethers, and hydroxyls, these occur in considerable diversity. The full set of AlkEthOH compounds is provided in the Supporting Information.