product_smiles string | product_name string | heavy_atoms int64 | r1_hashisy string | r2_hashisy string | InChI_Key string | fp string | score float64 |
|---|---|---|---|---|---|---|---|
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O(C(=O)C1=C(OC=N1)C2=CC=CS2)CC(F)(F)C3CC3 | D9AA9E9B8DDE2F6E_2E9518EAAFC2C41E_6031_UN | 20 | "DAC2E62A2A9F4109" | "F457FEC0855D8517" | WQUIOJZCLHSHJT-UHFFFAOYSA-N | 00000000000000000000001000000000000010000010000000000000010000100100000000000000010100001100000110000000000101101000010011010110110000100100000010110010111111010110110 | 4.561174 |
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