product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"8CA10802CAAB5B99_E514F6E4549525C1_6031_UN" | "CC(CC(=O)OCC1=CC(=NC=N1)C)C2=C(C=CC=C2)F" | 21 | "6AACA0BD498C39D5" |
"BB92B088BD662521_901BB0774019268C_6031_UN" | "CC(CC(=O)OCCCN(CC)CC)C1=C(C=CC=C1)F" | 21 | "6AACA0BD498C39D5" |
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