Mercurial > repos > bgruening > chembl

comparison test-data/out1.smi @ 0:915e9be38994 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/chembl/chembl_webresource_client commit 2e3c3c2bd7ecdc9c2968a32f91e81136e0cb3835
author bgruening
date Mon, 05 Aug 2019 05:21:58 -0400
parents
children f56492688f43
comparison
equal deleted inserted replaced
-1:000000000000 0:915e9be38994
1 CN1CCCC1c2cccnc2
2 CN1CCC[C@@H]1c2cccnc2
3 CN1CCC[C@H]1c2cccnc2
4 CCN1CCCC1c2cccnc2
5 CN1CCCC1c2ccc(C)nc2
6 CCc1ccc(cn1)C2CCCN2C
7 CN1CCCC1c2cncc(C)c2
8 CCCc1ccc(cn1)C2CCCN2C
9 CCc1cncc(c1)C2CCCN2C
10 CN1CCCC[C@H]1c2cccnc2
11 CN1CCCCC1c2cccnc2
12 CCCc1cncc(c1)C2CCCN2C
13 CN1CCCC1c2cccnc2C
14 CCCCc1ccc(cn1)C2CCCN2C
15 CCCCCc1ccc(cn1)C2CCCN2C
16 CC1CCN(C)[C@@H]1c2cccnc2
17 CN1CCCC1c2ccc(CCCc3ccccc3)nc2
18 CN1CCCC1c2cncc(Cl)c2
19 CN1CCCC1c2ccc(CCc3ccccc3)nc2
20 CN1CCC[C@H]1c2ccccc2
21 CN1CCCC1c2ccccc2
22 CN1CCC[C@H]1c2ccccn2
23 CN1CCCC1c2cncc(F)c2
24 COc1cncc(c1)C2CCCN2C
25 CN1CCCC1c2cncc(Br)c2
26 CN1CCCC1c2ccc(nc2)c3ccccc3
27 CN1CCCC1c2ccc(\C=C\c3ccccc3)nc2
28 COc1ccncc1C2CCCN2C
29 CCCC[C@H]1CC[C@H](N1C)c2cccnc2
30 CCCC[C@@H]1CC[C@H](N1C)c2cccnc2
31 CN1CCCC1c2cnccc2N
32 C[C@H]1C[C@H](N(C)C1)c2cccnc2
33 CC[C@H]1C[C@H](N(C)C1)c2cccnc2
34 CN1CCCC1c2ccc(CCc3ccc(Cl)cc3)nc2
35 CN1CCCC1c2ccc(Cl)nc2
36 CN1CCCC1c2ccc(C)cc2
37 COCC1CCN(C)[C@@H]1c2cccnc2
38 C(N1CCCC1c2cccnc2)c3ccccc3
39 C[C@H]1CC[C@H](N1C)c2cccnc2
40 C[C@@H]1CC[C@H](N1C)c2cccnc2
41 CN1CCCC1c2ccc(Cl)cc2
42 CN1CCCC1c2ccc(F)nc2
43 CN1CCC(CF)[C@H]1c2cccnc2
44 CN1CCCC1c2ccc(Br)nc2
45 COc1ccc(CCc2ccc(cn2)C3CCCN3C)cc1
46 CN1CCC(CO)[C@H]1c2cccnc2
47 CN1CCCC1c2cnc3ccccc3c2