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author | Christoph Helma <helma@in-silico.ch> | 2019-08-24 15:06:53 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2019-08-24 15:06:53 +0200 |
commit | 8e1e8b94539dbdd74bd4ac28295cbfd1b84036ab (patch) | |
tree | 28528e19dc6ed4cca7ed824e939dedd6c4acc94c /test/data/batch_prediction.csv | |
parent | 1ee7de09c969e16fd11522d22179224e694b0161 (diff) | |
parent | 488ce9fe6d4b715680675861105b8c52a7535140 (diff) |
Merge remote-tracking branch 'origin/development'
Diffstat (limited to 'test/data/batch_prediction.csv')
-rw-r--r-- | test/data/batch_prediction.csv | 25 |
1 files changed, 0 insertions, 25 deletions
diff --git a/test/data/batch_prediction.csv b/test/data/batch_prediction.csv deleted file mode 100644 index c9c45e1..0000000 --- a/test/data/batch_prediction.csv +++ /dev/null @@ -1,25 +0,0 @@ -SMILES, batch -CCCCCCCCOC(=O)C1=CC=C(C(=O)OCCCCCCCC)C=C1 -OCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCOC(=O)C2=CC=CC=C2C(=O)OCCCCO -C1([N+](=O)[O-])=CC=C(C)C=C1OP(=O)(OC2=C([N+](=O)[O-])C=CC(C)=C2)OC3=C([N+]([O-])=O)C=CC(C)=C3 -C1=C([N+]([O-])=O)C=CC=C1P(=O)(C2=CC([N+](=O)[O-])=CC=C2)C3=CC([N+](=O)[O-])=CC=C3 -O=C1NC(=O)NC=C1 -O=C2C1=NC3=C(C=C(C)C(C)=C3)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(N2)=O -O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3 -CCC1=C(Br)C(Br)=C(Br)C(Br)=C1Br -C1CCCCC1C2CCCCC2 -C1=CC(C)=CC=C1SSC2=CC=C(C)C=C2 -CCCCCCCCCCCCCO -O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC -CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC -CCCCCCCCCCCCCC=O -OCCCCCCCC\C=C/CCCCCCCC -CCCCCCC(=O)CCCCCC -N1=C(C2=CC=CC=C2)NC(C3=CC=CC=C3)=C1C4=CC=CC=C4 -C1=CC=CC=C1[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 -C1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=CC=C3 -IC1=CC=C(I)C=C1 -C1=CC(N(C)C)=CC=C1P(=O)(C2=CC=C(N(C)C)C=C2)C3=CC=C(N(C)C)C=C3 -C1=CC=CC=C1C2=CC=C(C3=CC=CC=C3)O2 -CCCCCCCCCCCC(=O)N -N1=C(CCN)C=CC=C1 |