product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"A9691B7DB279B670_0F50CA886ABF8261_6043_UN" | "OC(=O)C(C1=CC=CC=C1)C2=CC=C(C=C2)N[S](C)(=O)=O" | 21 | "6840823DCA1C7142" |
"6189C2FF946263BB_B1A6E46971721463_1031_UN" | "CC2=CC=C(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)[N]2C" | 21 | "68691124A8333B44" |
"D1CE4E7A67ED3CAB_F70F6CA1D9CFC7D0_1031_UN" | "CCC1=NOC(=C1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "6894D92EFAF61B6B" |
"81728365BB2A6798_7D12C4544EC6319F_6016_UN" | "C1(=CC(=CC(=C1)C#N)N2CCCC2)C(=O)C3=CC=CC=C3" | 21 | "68C65DEA4FE221B3" |
"09644FFDCAF5D73C_B1280188B45C7B1E_1031_UN" | "CCC1=NC(=NO1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "68E7F4C56D1D5439" |
"E59CA8FC91EED731_7D3BF0C990147C1E_6016_UN" | "CC(C)(C)C1=CN=C2[N]1C=C(C=C2)C(=O)C3=CC=CC=C3" | 21 | "68EF697791306C32" |
"40105F5A1C1F887C_F76EE47504AC26AC_1031_UN" | "CN(C)C(=O)CC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2" | 21 | "68F551FA2795FA17" |
"4E8074DDF987F5C1_B13186A21F4B27D1_1031_UN" | "C[S](=O)(=O)CC(O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "68FE73EFC60A08F6" |
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