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Please cite
if you use this service for scientific purposes.
You have two options to format your comma or tab sperated spreadsheet for batch predictions:
SMILES |
---|
C1ccccc1NN |
Cc1ccc(cc1\N=C=O)/N=C=O |
OC(=O)c1ccc(cc1)C(=O)O |
... |
ID | SMILES |
---|---|
2735 | C1ccccc1NN |
A2 | O=C(OCCCC)C1=CC=CC=C1C(OCCCC)=O |
82 B-6 304663 | CC(C)(C)C1=CC2(C=C(C1=O)C(C)(C)C)CCC(=O)O2 |
... | ... |