product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"D2B15678E47B3AAB_5009B1BDCE58D479_1031_UN" | "C[N]1C=NC(=C1C#N)[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "89C644F01719FB5E" |
"A1E8F319CEE7FA76_9C06BB6A0E237E15_6016_UN" | "CC1=C(C(C2=C(N1)C=CC(=C2)C(=O)C3=CC=CC=C3)=O)C" | 21 | "89D222D40F076E39" |
"CBD998261DBAFBF4_164F6894EB730E7B_1031_UN" | "[N]2(CC[N]1N=NC=N1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "89D4DD1BC84AD2C0" |
"546A4EA29207DB5F_5039A6329DCEC0F0_1031_UN" | "CCC1=NOC(=N1)C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "89F6537F448FEFD7" |
"279F00586E9CCF1C_5630A3EA4EB35FF5_6016_UN" | "CC1=C(C2=C(C=C1)CNC2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "8A34AC6F0247977A" |
"8EBB48DEB59C9129_538DF745C91E52B5_1031_UN" | "[N]2(CC1=NNC(C=C1)=O)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "8A420208105F7D92" |
"EB5180119E829EE4_B16FA8A8CE6580B4_2218_UN" | "CC1=C(C=CC(=C1)F)NCC2=CC(=CC=C2)C3=N[NH]N=N3" | 21 | "8A44028F215E4190" |
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