product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"D9BE234833F5D86B_4BBB8CF107473A28_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CC(=CC=C2)F)C" | 21 | "82BCC4E1E17351EF" |
"AEFC3562DCE84CEB_B105C394AC1C65C8_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2=C(C)N=CS2)C" | 21 | "82BCC4E1E17351EF" |
"5AE1A2B98D9C0492_BBA897ECC76B98F1_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CC=C(C=C2)Cl)C" | 21 | "82BCC4E1E17351EF" |
"D3F3B7B9AD4F4DD4_01E9D1817688CC87_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(F)(F)C(F)(F)F)C" | 21 | "82BCC4E1E17351EF" |
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