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 |
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date | Sat, 10 Oct 2020 09:43:40 +0000 |
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-1:000000000000 | 0:2f59c6239f25 |
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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 |