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authorRanke Johannes <johannes.ranke@agroscope.admin.ch>2024-06-20 14:57:23 +0200
committerRanke Johannes <johannes.ranke@agroscope.admin.ch>2024-06-20 14:57:23 +0200
commit81dd5ed73a48ba811304ab9211d501b973eb640c (patch)
tree1903f61b5e0f91b7e10acb42e3631d24674ce6e2 /docs/deps/bootstrap-5.3.1/fonts/HI_SiYsKILxRpg3hIP6sJ7fM7PqlOevWjMY.woff2
parent463787e347b00bf4076027ffbcb69166bcc6646d (diff)
Fix rdkit availability, prefer user/isomeric SMILES
In cases that the user specifies an isomeric SMILES, we want to use that with rdkit. If the user does not specify a SMILES, we prefer the isomeric one from PubChem over the canonical one, where stereochemistry is not defined.
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