rdkit/Code/GraphMol/FileParsers/test_data/cdk2_stereo.csv at df609d45f80032bc64b9461dbab595db4eed2b9d

mirror of https://github.com/rdkit/rdkit.git synced 2026-06-07 22:44:25 +08:00

Files

Greg Landrum 75a79b6327 initial import

2006-05-06 22:20:08 +00:00

1	c1cc(Cl)ccc1c(n[o]2)nc2CSC/3=[NH+]/CCN3,mol_14069
2	[C@@H]12/C=C\[C@@H](C(C(=O)O)C1C(=O)O)c3cccc(c23)[N+]([O-])=O,mol_12186,None,4.50,Scaffold_00,divscreen,0