Mercurial > repos > bgruening > chembl_structure_pipeline

comparison test-data/out1.smi @ 0:2f59c6239f25 draft default tip

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"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
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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