Re: [Rdkit-discuss] rdkit cartridge stereo search is inconsistent

On Thu, Nov 14, 2019 at 11:24 PM Webster Homer < webster.ho...@milliporesigma.com> wrote: > I have a database which contains these three molecules. > > N[C@H](Cc1ccc(B(O)O)cc1)C(=O)O > > N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O > > NC(Cc1ccc(B(O)O)cc1)C(=O)O > > > > It seems that the exact search does not

[Rdkit-discuss] rdkit cartridge stereo search is inconsistent

I have a database which contains these three molecules. N[C@H](Cc1ccc(B(O)O)cc1)C(=O)O N[C@@H](Cc1ccc(B(O)O)cc1)C(=O)O NC(Cc1ccc(B(O)O)cc1)C(=O)O It seems that the exact search does not respect the rdkit.do_chiral_sss # select * from rdk.mols where m@=