Mercurial > repos > bgruening > chembl_structure_pipeline
comparison test-data/out1.smi @ 0:2f59c6239f25 draft default tip
"planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 78f2261af4e00c830ea311337d0aed9b297aad8e-dirty"
| author | bgruening |
|---|---|
| date | Sat, 10 Oct 2020 09:43:40 +0000 |
| parents | |
| children |
comparison
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| -1:000000000000 | 0:2f59c6239f25 |
|---|---|
| 1 CN1CCCC1c2ccc(Cl)cc2 CHEMBL279352 | |
| 2 CCCC[C@H]1CC[C@H](N1C)c2cccnc2 CHEMBL119581 | |
| 3 CN1CCCC1c2ccc(F)nc2 CHEMBL72470 | |
| 4 C[C@H]1CC[C@H](N1C)c2cccnc2 CHEMBL116645 | |
| 5 CCCC[C@@H]1CC[C@H](N1C)c2cccnc2 CHEMBL119574 | |
| 6 CN1CCCC1c2ccc(CCc3ccc(Cl)cc3)nc2 CHEMBL189470 | |
| 7 CN1CCC[C@H]1c2cccnc2 CHEMBL3 | |
| 8 CN1CCCC1c2cncc(Cl)c2 CHEMBL61013 | |
| 9 CCCCCc1ccc(cn1)C2CCCN2C CHEMBL103566 | |
| 10 CN1CCCC1c2cccnc2 CHEMBL440464 | |
| 11 CN1CCCC1c2ccc(nc2)c3ccccc3 CHEMBL350748 | |
| 12 CN1CCCC1c2cnccc2N CHEMBL193763 | |
| 13 C(N1CCCC1c2cccnc2)c3ccccc3 CHEMBL163552 | |
| 14 COCC1CCN(C)[C@@H]1c2cccnc2 CHEMBL119020 | |
| 15 CN1CCCC1c2ccc(C)nc2 CHEMBL294757 | |
| 16 CN1CCCC1c2ccc(C)cc2 CHEMBL180376 | |
| 17 CN1CCCC[C@H]1c2cccnc2 CHEMBL3640783 | |
| 18 C[C@@H]1CC[C@H](N1C)c2cccnc2 CHEMBL118038 | |
| 19 CN1CCC[C@H]1c2ccccn2 CHEMBL2068760 | |
| 20 CN1CCCC1c2cccnc2C CHEMBL160034 | |
| 21 CCc1ccc(cn1)C2CCCN2C CHEMBL103225 | |
| 22 C[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL432837 | |
| 23 CC[C@H]1C[C@H](N(C)C1)c2cccnc2 CHEMBL115793 | |
| 24 CN1CCCC1c2ccccc2 CHEMBL367126 | |
| 25 CN1CCCC1c2ccc(CCCc3ccccc3)nc2 CHEMBL361703 | |
| 26 CC1CCN(C)[C@@H]1c2cccnc2 CHEMBL119019 | |
| 27 CN1CCCC1c2ccc(Br)nc2 CHEMBL58231 | |
| 28 CN1CCCCC1c2cccnc2 CHEMBL102246 | |
| 29 CN1CCCC1c2ccc(CCc3ccccc3)nc2 CHEMBL190295 | |
| 30 CN1CCC[C@H]1c2ccccc2 CHEMBL1199383 | |
| 31 COc1cncc(c1)C2CCCN2C CHEMBL303530 | |
| 32 COc1ccc(CCc2ccc(cn2)C3CCCN3C)cc1 CHEMBL190652 | |
| 33 CN1CCCC1c2cncc(F)c2 CHEMBL62128 | |
| 34 CN1CCCC1c2cncc(C)c2 CHEMBL364003 | |
| 35 CN1CCC(CO)[C@H]1c2cccnc2 CHEMBL325426 | |
| 36 CCN1CCCC1c2cccnc2 CHEMBL163042 | |
| 37 COc1ccncc1C2CCCN2C CHEMBL370168 | |
| 38 CCc1cncc(c1)C2CCCN2C CHEMBL111526 | |
| 39 CN1CCC[C@@H]1c2cccnc2 CHEMBL9732 | |
| 40 CN1CCC(CF)[C@H]1c2cccnc2 CHEMBL119016 | |
| 41 CN1CCCC1c2ccc(Cl)nc2 CHEMBL70050 | |
| 42 CN1CCCC1c2cncc(Br)c2 CHEMBL61772 | |
| 43 CN1CCCC1c2ccc(\C=C\c3ccccc3)nc2 CHEMBL190678 | |
| 44 CCCc1cncc(c1)C2CCCN2C CHEMBL382287 | |
| 45 CN1CCCC1c2cnc3ccccc3c2 CHEMBL161944 | |
| 46 CCCc1ccc(cn1)C2CCCN2C CHEMBL103537 | |
| 47 CCCCc1ccc(cn1)C2CCCN2C CHEMBL320023 |