Mercurial > repos > bgruening > chembl
diff test-data/out1.smi @ 0:915e9be38994 draft
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 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out1.smi Mon Aug 05 05:21:58 2019 -0400 @@ -0,0 +1,47 @@ +CN1CCCC1c2cccnc2 +CN1CCC[C@@H]1c2cccnc2 +CN1CCC[C@H]1c2cccnc2 +CCN1CCCC1c2cccnc2 +CN1CCCC1c2ccc(C)nc2 +CCc1ccc(cn1)C2CCCN2C +CN1CCCC1c2cncc(C)c2 +CCCc1ccc(cn1)C2CCCN2C +CCc1cncc(c1)C2CCCN2C +CN1CCCC[C@H]1c2cccnc2 +CN1CCCCC1c2cccnc2 +CCCc1cncc(c1)C2CCCN2C +CN1CCCC1c2cccnc2C +CCCCc1ccc(cn1)C2CCCN2C +CCCCCc1ccc(cn1)C2CCCN2C +CC1CCN(C)[C@@H]1c2cccnc2 +CN1CCCC1c2ccc(CCCc3ccccc3)nc2 +CN1CCCC1c2cncc(Cl)c2 +CN1CCCC1c2ccc(CCc3ccccc3)nc2 +CN1CCC[C@H]1c2ccccc2 +CN1CCCC1c2ccccc2 +CN1CCC[C@H]1c2ccccn2 +CN1CCCC1c2cncc(F)c2 +COc1cncc(c1)C2CCCN2C +CN1CCCC1c2cncc(Br)c2 +CN1CCCC1c2ccc(nc2)c3ccccc3 +CN1CCCC1c2ccc(\C=C\c3ccccc3)nc2 +COc1ccncc1C2CCCN2C +CCCC[C@H]1CC[C@H](N1C)c2cccnc2 +CCCC[C@@H]1CC[C@H](N1C)c2cccnc2 +CN1CCCC1c2cnccc2N +C[C@H]1C[C@H](N(C)C1)c2cccnc2 +CC[C@H]1C[C@H](N(C)C1)c2cccnc2 +CN1CCCC1c2ccc(CCc3ccc(Cl)cc3)nc2 +CN1CCCC1c2ccc(Cl)nc2 +CN1CCCC1c2ccc(C)cc2 +COCC1CCN(C)[C@@H]1c2cccnc2 +C(N1CCCC1c2cccnc2)c3ccccc3 +C[C@H]1CC[C@H](N1C)c2cccnc2 +C[C@@H]1CC[C@H](N1C)c2cccnc2 +CN1CCCC1c2ccc(Cl)cc2 +CN1CCCC1c2ccc(F)nc2 +CN1CCC(CF)[C@H]1c2cccnc2 +CN1CCCC1c2ccc(Br)nc2 +COc1ccc(CCc2ccc(cn2)C3CCCN3C)cc1 +CN1CCC(CO)[C@H]1c2cccnc2 +CN1CCCC1c2cnc3ccccc3c2 \ No newline at end of file