product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"EA1BBD6AFDCFA2E8_1F04BF46B7304B64_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC3=NSN=C3" | 21 | "0BB23A64081A1340" |
"8BFB3ACD593A4B0D_76B44019D602B321_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCCC(C)Cl" | 21 | "0BB23A64081A1340" |
"C3A19E00B7DB6D73_EEB5114BA145DA27_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCC(=C(C)C)C" | 21 | "0BB23A64081A1340" |
"7AC7336FCD39519B_29EFCCF65AD37607_6031_UN" | "CC1=C(SC2=C1C=CC=C2)C(=O)C(=O)OCCC3(C)N=N3" | 21 | "0BB23A64081A1340" |
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