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Chem.ReplaceCore(labelByIndex = True): Issue with 0-indexed atoms
bug
stale
#7562
opened Jun 25, 2024 by
ZCCheng97
Canonical tautomer choice depends on stereochemistry elsewhere in the molecule
bug
#7499
opened Jun 5, 2024 by
zpincus
Tautomer enumeration can halt too soon when stereochemistry is present / not ignored
bug
stale
#7488
opened Jun 4, 2024 by
zpincus
wrong ETKDG potential matching for non-aromatic rings with unsaturations
bug
stale
#7463
opened May 27, 2024 by
brje01
Unable to preserve explicit hydrogen in Postgres Cartridge
stale
#7455
opened May 22, 2024 by
lounsbrough
dotnet csharp tests can only be built/run when cairo builds are enabled
bug
infrastructure
build infrastructure and the like
stale
#7447
opened May 16, 2024 by
greglandrum
Postgres data type reaction has no equality operator
bug
stale
#7425
opened May 8, 2024 by
lounsbrough
SetRemoveSp3Stereo(False) does not keep isotope (deuterium) induced stereochemistry
bug
stale
#7410
opened May 1, 2024 by
pechersky
PDB Import issue : MolFromPDBFile() vs MolFromPDBBlock()
bug
stale
#7362
opened Apr 15, 2024 by
urekam712
Add automatic data type inference to PandasTools.LoadSDF
enhancement
stale
#7348
opened Apr 10, 2024 by
ichxw
Bond Missing on Phytomedicine document : drawing option
bug
stale
#7336
opened Apr 5, 2024 by
urekam712
Atropisomeric stereo is removed during canonicalization when aryl ketone is present
bug
stale
#7290
opened Mar 22, 2024 by
pechersky
Atom coordinates in CXSMILES disrupt exact matches when do_enhanced_stereo_sss==true
bug
stale
#7268
opened Mar 17, 2024 by
someonetookmyname
Enhanced stereochemistry leads to incorrect RegistrationHash for Meso compounds
bug
stale
#7266
opened Mar 16, 2024 by
mc-robinson
ProTip!
Updated in the last three days: updated:>2024-12-21.