product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"3EA8170EDDC334E5_29F4A0E70E92FB70_6006_UN" | "FC1=CC=C(C=C1)C4=CC2=C(C(=NC=N2)C3=C[NH]N=C3)S4" | 21 | "445ACFBE1156D015" |
"F9579E00E631E77E_F809457F63337031_6008_UN" | "C1(=CC2=C(C=C1)OCC2)C=CC3=CC=CC(=C3)C(F)(F)F" | 21 | "4507CEBAB67B7DC8" |
"FF2AA36A6BB2B09C_47134CC1E516AF33_6008_UN" | "C1(=CC2=C(C=C1)OCC2)C3=CC(N(CC(OC)=O)C=C3)=O" | 21 | "4507CEBAB67B7DC8" |
"D252263C1AE6D3D2_70BC5001461F8D0D_6008_UN" | "C1(=CC2=C(C=C1)OCC2)C4=CC=C3C(=O)OCCN3C4=O" | 21 | "4507CEBAB67B7DC8" |
"AB97DE9BE4F4DACA_F88855811D9F6083_6008_UN" | "C1(=C(C(=CC=C1)C#N)Cl)C=CC2=CC=CC(=C2)C(F)(F)F" | 21 | "4586DE44C8D76D7A" |
"26B4FDF77C087192_47925C3F9BBABF81_6008_UN" | "C1(=C(C(=CC=C1)C#N)Cl)C2=CC(N(CC(OC)=O)C=C2)=O" | 21 | "4586DE44C8D76D7A" |
"D3932BA93EB04457_703D40FF38B39DBF_6008_UN" | "C1(=C(C(=CC=C1)C#N)Cl)C3=CC=C2C(=O)OCCN2C3=O" | 21 | "4586DE44C8D76D7A" |
"62152AC6468FBCD4_220157D19EE2A37C_6006_UN" | "NC1=CC(=C(C=C1)C(=O)NCC2CCCO2)C3=CSC=C3" | 21 | "458C069776D0BAB8" |
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