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Molecule ID: FYI-1001324 Edit
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Molecule Summary: ID: FYI-1001998 SMILES: CCCCC/C=C\\C/C=C\\CCCCCC CCC(OC(=O)CCCN(C)C)CCCCC CCC/C=C\\C...
Molecule Summary: ID: FYI-1004334 Names: InChIKey: VERNMKKMBJGSQB-UHFFFAOYS A-NSMILES: C[Si](C)(O)O[...
Molecule Summary: ID: FYI-1003053 Names: InChIKey: GOTQYQJBHFXCPO-UHFFFAOYS A-NSMILES: N#Cc3cc(c2ccc...
What Is "obminimize" command? How to use it to optimize the geometry and minimize the energy for a g...
Molecule Summary: ID: FYI-1003436 Names: InChIKey: YSUUIPAGPVQNSM-UHFFFAOYS A-NSMILES: COc1ccc2c(c1)...