product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"68C0433873792C0C_EDE1DCF74DDE7BDB_6006_UN" | "CC(=O)NC1=C(C=C(C(=C1)[N](=O)=O)C2=CON=C2)C(=O)O" | 21 | "133729E5F892D4B6" |
"B8D88D935964CDE1_7E9946BCE756FFD3_6006_UN" | "CC(=O)NC1=C(C=C(C(=C1)[N](=O)=O)C2=C[NH]N=C2)C(=O)O" | 21 | "133729E5F892D4B6" |
"D39317AF8C28BB7C_74EB3F65D75CBB7F_6006_UN" | "OC(=O)CNC(=O)C1=CC(=C(C=C1)C2=CSC=C2)[N](=O)=O" | 21 | "13666E233F6EA2BB" |
"A07E10AC9A01C7AB_EDB09B318A220DD6_6006_UN" | "OC(=O)CNC(=O)C1=CC(=C(C=C1)C2=CON=C2)[N](=O)=O" | 21 | "13666E233F6EA2BB" |
"C48709770538D4E5_7EC8017A20AA89DE_6006_UN" | "OC(=O)CNC(=O)C1=CC(=C(C=C1)C2=C[NH]N=C2)[N](=O)=O" | 21 | "13666E233F6EA2BB" |
"D2C9DC4400DE19F3_725AB6FAC4C58466_6006_UN" | "NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CSC=C3" | 21 | "15D7E7BC2CF79DA2" |
"36895DE9A26EF1F2_EB0112AE99BB32CF_6006_UN" | "NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=CON=C3" | 21 | "15D7E7BC2CF79DA2" |
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