product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"67A25F257E8CB8E1_632B90153DE83417_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCCOCCBr" | 21 | "28093096634A9A09" |
"F5D9F6BB25628994_9167989AAEE71455_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC[S](C)(=O)=O" | 21 | "28093096634A9A09" |
"2627ED91749CB47B_0389EE043494344D_6031_DP" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCCC3(N)CC3" | 21 | "28093096634A9A09" |
"7A7FD29AE1F2105C_5C6198E89212C846_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC(C)N(C)N" | 21 | "28093096634A9A09" |
"31A35F739C5DA1E6_DE0D7143AADB63F9_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCCN(CC)N" | 21 | "28093096634A9A09" |
"6508F998446CD0E8_A481E8B19A2E5D94_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC[S](=O)(=O)F" | 21 | "28093096634A9A09" |
"455F4A0E7639DEC8_405E25311ABE87B9_6031_UN" | "C[N]1C=C(C=N1)C2=CC(=CN=C2)C(=O)OCC3CC=CC3" | 21 | "28093096634A9A09" |
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