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View Code? Open in Web Editor NEWA Smaller Computational Chemistry DataBase
License: GNU General Public License v3.0
A Smaller Computational Chemistry DataBase
License: GNU General Public License v3.0
Dear Roberto, the CSV files are very useful, but I believe there is a problem on two lines:
The product 2733_05MeOHMeOH100_monA_S66x8
is listed twice, but it should be listed only once with stoichiometry -2
:
Line 7 in 8f77eec
Here the stoichiometry of the last product is missing. I believe it should be -1
:
Line 106 in 8f77eec
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