product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"E45EEBC8C31C52BC_DF18A1C45D52966C_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC2=C(C)C=C(C=C2)F" | 21 | "4C1D8C9B80BA8914" |
"7A597AC99D9B68BB_79BB55B954CCB05F_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCCNC2CCCCC2" | 21 | "4C1D8C9B80BA8914" |
"762836AFD9A32F73_D75710582ED09BE3_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC2=C(C=CC=C2F)F" | 21 | "4C1D8C9B80BA8914" |
"97E9E6426BC0F831_82CA782A5B0F7E72_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC2=C(C=CC(=N2)F)Br" | 21 | "4C1D8C9B80BA8914" |
"E95D14FE542A968E_39900EF41D68C443_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC2=CC(=C(C)C=C2)F" | 21 | "4C1D8C9B80BA8914" |
"10E524BA55BE94D6_2E272091111DFCE4_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC2CCCC(CN)N2" | 21 | "4C1D8C9B80BA8914" |
"EFB2CD66AD4A9733_F3C454E4DBD3A001_6031_UN" | "CC[N]1N=C(C)C(=C1C)C(=O)OCC2=CC(=CC(=C2)C)Cl" | 21 | "4C1D8C9B80BA8914" |
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