product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"945EA7042EA713E0_5071341CA39ED8F5_6016_UN" | "COC(=O)C1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2)OC)N" | 21 | "45A5ADA2A2BAC8D9" |
"496E9C086B05FA5A_99B3E2F8735A51FE_6016_UN" | "OC(=O)C1=C(N=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl" | 21 | "45B7ED7D3FAE9971" |
"A92E85742EAAE6DE_DA273DFCDA8E39BB_1031_UN" | "[N]2(CC1CNC(=O)C1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "45BC8873F9B7E500" |
"78B238215D5C0352_DA5C73B4169C575B_1031_DP" | "NC3(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CCCC3" | 21 | "45C7C63B35A58BE0" |
"CFD7FDAB7DDE203C_9C33924FCC7B715E_1031_UN" | "CC(C)C1=COC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "45FC6702153A5E79" |
"730A9A8770677CC0_53D5D5E2DAE421EC_6016_UN" | "N[N]1C(=NN=C1C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)S" | 21 | "46014C5CDBC031C0" |
"52C06F05A8A1E412_9FD0EC29116C640C_1031_UN" | "COCC1=NOC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "461F1964C82D4B2B" |
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