product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"D858E82177F81F9F_87E62BE461CF3401_6043_UN" | "CC1=C(C2=C(N=C1Cl)C(=C(C(=C2)F)N3CC[S]3(=O)=O)F)Cl" | 21 | "107D0333A3CEEF19" |
"D535E7F57BB33EDB_0EEEBFF51D19D296_6043_UN" | "CC1=C(C2=C(N=C1Cl)C(=C(C(=C2)F)N[S](CC)(=O)=O)F)Cl" | 21 | "107D0333A3CEEF19" |
"FCAB9521D1B39E21_66A7DF9C5524A1A3_6043_UN" | "CC1=C(C2=C(N=C1Cl)C(=C(C(=C2)F)N[S](=O)(=O)C=C)F)Cl" | 21 | "107D0333A3CEEF19" |
"9BAFDC338544627D_C4B4A85DE0905941_2875_DP" | "FC1=CC=C(C=C1)C([N]2N=NC(=C2)CN)C(=O)NC3CC3" | 21 | "146F74B930190C67" |
"5D2A5BEDFF0321BE_9189E3A7C568848F_2875_UN" | "FC1=CC=C(C=C1)C([N]2N=NC(=C2)CBr)C(=O)NC3CC3" | 21 | "146F74B930190C67" |
"8D6F6F3A38D5A9A9_2F7D48F61D3CD3E4_2875_UN" | "FC1=CC=C(C=C1)C([N]2N=NC(=C2)CO)C(=O)NC3CC3" | 21 | "146F74B930190C67" |
"1E4888C019314E83_2877CC2BE50891F9_2875_UN" | "FC1=CC=C(C=C1)C([N]2N=NC(=C2)SC)C(=O)NC3CC3" | 21 | "146F74B930190C67" |
"E5E4FACA0D66410A_B504EAB6CC7AEA63_1171_UN" | "CC3(C)CN(CC2=NC(=C(C1=CC=CC=C1)S2)C)CCS3" | 21 | "15164C1DD2924304" |
"EFF1EB80625A6F49_A1080F533093F018_1171_UN" | "CC2(C)CN(CC1=NC(=C(C)S1)CCC(OC)=O)CCS2" | 21 | "15164C1DD2924304" |
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