dsC7O2H10nsd.xyz.tar.bz2 (3.96 MB)

Data for 6095 constitutional isomers of C7H10O2

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posted on 06.06.2017 by Raghunathan Ramakrishnan, Pavlo Dral, Matthias Rupp, O. Anatole von Lilienfeld

Data for 6095 constitutional isomers of C7H10O2


In an earlier version of this dataset the titles of the files "Data for 133885 GDB-9 molecules" and "Data for 6095 constitutional isomers of C7H10O2" were swapped. This has now been corrected.

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