product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"CCFC9DEAC2DD3DBB_324311D593D7AD3D_6031_UN" | "O(C(=O)CNCC(F)(F)F)CCN[C@H](C)C1=CC=CC=C1" | 21 | "2E471FBA68EACE92" |
"B13A9FE9D5DF0C0C_3F30B586E2B88238_6031_UN" | "O(C(=O)CNCC(F)(F)F)CCNCCOCC(F)(F)F" | 21 | "2E471FBA68EACE92" |
"9C82ACFDE5F5E77D_6EF5EC3AB682B3BA_6031_UN" | "O(C(=O)CNCC(F)(F)F)CCCCOC1=CC=CC=C1" | 21 | "2E471FBA68EACE92" |
"075360DCC7B499BB_94A4E2EC4306E884_6031_UN" | "O(C(=O)CNCC(F)(F)F)CCOC1=C(C=CC(=C1)Cl)Cl" | 21 | "2E471FBA68EACE92" |
"63F86129F652A394_BCB5F6D294BD5979_6031_UN" | "O(C(=O)CNCC(F)(F)F)CCCOC1=NC(=CN=C1)Cl" | 21 | "2E471FBA68EACE92" |
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