product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"5DE7F73DE4E3A128_B36435C156D0534E_6016_UN" | "C[N]1N=C(C(=C1C(=O)O)C(=O)C2=CC=CC=C2)C(F)(F)F" | 21 | "A6B0AC7F57F44362" |
"44F372FCBBF37DC3_7ABDFB58B40D8FB5_6016_UN" | "C[N]1N=NC2=C1C=CC(=C2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "A6B9F4DDF8F9473A" |
"1E612C567C9B7ABE_7AC47D160CD352A2_6016_UN" | "CC2=C[N]1C=C(C=CC1=N2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "A6C0729340279A2D" |
"113C1C0AAA88EFAF_7F0E5BE00C8C564E_1031_UN" | "C[N]1C(=NN=C1S)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "A6C1AEADD5CD7969" |
"748A71E5DCC60347_7F1D46B6B7916033_1031_UN" | "CCC(CC)(CC)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "A6D2B3FB6ED04F14" |
"19224390615EBF14_B30CA0AB38BBA3EB_6016_UN" | "CC(C)(C)C1=C[N]2C(=N1)C=C(C=C2)C(=O)C3=CC=CC=C3" | 21 | "A6D83915399FB3C7" |
"A0A4B728D38CAE91_7AF4073FFA9500B5_6016_UN" | "NC(=NO)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "A6F008BAB661C83A" |
"07C8346D30A26F92_396D253B7AE9D5FA_1031_UN" | "[N]2(CC1COCCC1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "A6F690B459D00941" |
"FB5CAEB7F03E222F_7B05A5337BF3EEA4_6016_UN" | "CC1=C(C=CC(=C1)C(=N)N)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "A701AAB63707262B" |
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