product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"B4B0CCA5231886FA_D193771C7CD0468F_1031_UN" | "[N]2(CCC1C(C1)(Cl)Cl)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "4E08C2935FE99A34" |
"131B4FB319774DB1_ADE33D836CAD4D56_6039_UN" | "COC1=C(C=CC(=C1)COCC)B2OC(C)(C)C(C)(C)O2" | 21 | "4E69F0CD81AED1C0" |
"1AAB29718247EF8D_97BE8BCBFFB7BC62_1031_UN" | "[N]1(OCCCC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "4E717E8626F69345" |
"889ABA392F7BE30A_5B40451D2189B405_6016_UN" | "C1(=CC=C(C=C1)C(=O)C2CCCO2)C(=O)C3=CC=CC=C3" | 21 | "4E94DCA320ADA429" |
"5E10460E2A51E27B_977557E1405E2E2F_1031_UN" | "CC(F)(F)CCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "4EBAA2AC991F0108" |
"3F2B9503E86F8BB8_9709FF9FB064B78A_1031_UN" | "CC1=NC(=CC=C1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "4EC60AD2692598AD" |
"23B548DABC83E102_926C3BF470A647BB_6008_UN" | "C[N]1N=CC=C1C3=CC(=NCCC2=NC=CC=C2)C=CN3" | 21 | "4EDEB482F63413F6" |
"D6186DFD8F009BC2_97204DAF61A76FC6_1031_UN" | "CC2=NOC(C)(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2" | 21 | "4EEFB8E2B8E640E1" |
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