rdkit/Code/GraphMol/RGroupDecomposition/test_data/simple2.out1.json at master - rdkit - Gitea: Git with a cup of tea

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Gareth Jones b587a65a27 Fix github5222 (#5232 )

* Fix for github5222

* Remove stderr output

* Fix failing tests

* Fix comment

* Revert to old label ordering

* Fix failing tests

* Revert unnecessary change.  Hopefully fix notebook

* Modified RDG Jupyter notebook

* Fix kernelspec in rgd_testing.ipynb

2022-04-27 06:25:05 +02:00

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 [
     {
         "Core": "Cc1cccc([*:1])c1[*:3]",
         "R1": "[H][*:1]",
         "R3": "CO[*:3]"
     },
     {
         "Core": "Cc1cccc([*:1])c1[*:3]",
         "R1": "[H][*:1]",
         "R3": "CO[*:3]"
     },
     {
         "Core": "Cc1cccc([*:1])c1[*:3]",
         "R1": "CO[*:1]",
         "R3": "[H][*:3]"
     }
 ]