view 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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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