product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"8D6BC55051A4E664_1A4EDF6630985516_6031_UN" | "CC(N)(C(=O)OCCC1=C[NH]N=C1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"1DF3AC73EBA1BD05_EFF72CDB62FDFAF5_6031_DP" | "CC(N)(C(=O)OCC1NCCNC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
"83561A4F1A47913D_4FC46DEDA4EDB0BA_6031_UN" | "CC(N)(C(=O)OCCCCCCCl)C1=C(C=CC(=C1)F)F" | 21 | "52EEEE9CD8A875FF" |
"07E1FC304884EF34_13C7148C930A9E3B_6031_UN" | "CC(N)(C(=O)OCC(C)(N)C1CC1)C2=C(C=CC(=C2)F)F" | 21 | "52EEEE9CD8A875FF" |
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