product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"E54CEE6A8E94B8B2_E665147D143D459F_6031_UN" | "NC1(CCC(CC1)C2=CC=CC=C2)C(=O)OCC(Br)(Br)Br" | 21 | "AE29E477A0B4DA78" |
"3950CB89B88D574E_8695B7D2ABE5EB99_6031_UN" | "NC1(CCC(CC1)C2=CC=CC=C2)C(=O)OCC#CCBr" | 21 | "AE29E477A0B4DA78" |
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"604771CE18C2ABC6_2C6E69E73837EAE7_6031_UN" | "O(C(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)F)F)CC(Cl)Cl" | 21 | "444D1C4DF5290158" |
"86350405A4429CC4_7B9259F57FDCDE9E_6031_UN" | "O(C(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)F)F)CC(=C)Cl" | 21 | "444D1C4DF5290158" |
"44BD113337C17A89_1C7DE2ED201D6326_6031_UN" | "O(C(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)F)F)CC(C)F" | 21 | "444D1C4DF5290158" |
"334704B172641E8B_A231EBF056F8F2C1_6031_UN" | "O(C(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)F)F)CC=CCl" | 21 | "444D1C4DF5290158" |
"FBE79CD65ACCDB13_3CB9BEB26CBBE17A_6031_UN" | "O(C(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)F)F)CC(C)Br" | 21 | "444D1C4DF5290158" |
"30F83EC9906F0464_E919D8A641A57638_6031_UN" | "O(C(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)F)F)CCCI" | 21 | "444D1C4DF5290158" |
"D1E25A1B180EA084_5D93E9D6E34DBF36_6031_UN" | "COCC(C)C(=O)OCCNC1=NC2=C([N]1C)C=CC=C2" | 21 | "62D927534FAA4E2D" |
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