Mercurial > repos > bgruening > openbabel_change_title
comparison test-data/8_mol.smi @ 0:fd7097abe45a draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
| author | bgruening |
|---|---|
| date | Sat, 20 May 2017 08:36:52 -0400 |
| parents | |
| children |
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| -1:000000000000 | 0:fd7097abe45a |
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| 1 C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl | |
| 2 C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl | |
| 3 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC | |
| 4 CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl | |
| 5 CCC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=CC=C5)C=C2N1C6=CC=CC=C6)CC | |
| 6 CCC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=CC=C5)C=C2N1C6=CC=CC=C6)C | |
| 7 CC(=O)OC1=CC=CC=C1C(=O)[O-] | |
| 8 CC(=O)OC1=CC=CC=C1C(=O)[O-] |