product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"65C80CD00A42F2CE_ACFB292592C8B991_6003_UN" | "COC(=O)CCC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+]#[C-]" | 21 | "B0DCE81BCFB2B362" |
"AFD1BA21343C1D2B_22C0ACC72DE56EEF_6003_UN" | "COC(=O)CCC1=CC=C(C=C1)OC2=CC=CC(=C2)[N+]#[C-]" | 21 | "B0DCE81BCFB2B362" |
"373A688B5CFC66C3_FFA32C4FD71A7788_6006_UN" | "NC(=N)NC(=O)NC1=CC(=C(C=C1)C#N)C2=CC=N[N]2C" | 21 | "B17D98CD212E647E" |
"6B770D7071233551_0DB492536117CB91_6006_UN" | "NC(=N)NC(=O)NC1=CC(=C(C=C1)C#N)C2=C[N](C)N=C2" | 21 | "B17D98CD212E647E" |
"64AB8D98DB8037A1_CB62A81747FAEDDE_6006_UN" | "NC(=N)NC(=O)NC1=CC(=C(C=C1)C#N)C2=CN=CN=C2" | 21 | "B17D98CD212E647E" |
"09DB436C468FA6A3_B4B10C264CF7821B_6006_UN" | "NC(=N)NC(=O)NC1=CC(=C(C=C1)C#N)C2=CC=CC=C2" | 21 | "B17D98CD212E647E" |
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