product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"0D99CE80B02A121D_45689B251252BFE5_6006_UN" | "CCOC2=C(C=C1C(=CC=NC1=C2)C3=C[NH]N=C3)OCC" | 21 | "28C6F47C0D969480" |
"6FCD4E8790651427_9770E7F478A5FF3A_6008_UN" | "C1(=C(C(=CC=C1O)F)F)C=CC2=CC=CC(=C2)C(F)(F)F" | 21 | "2A7E6C31ADEDF2C3" |
"70ECAF0E2D6FD4F2_286AEE4AFE802038_6008_UN" | "C1(=C(C(=CC=C1O)F)F)C2=CC(N(CC(OC)=O)C=C2)=O" | 21 | "2A7E6C31ADEDF2C3" |
"24021DFD5700D197_1FC5F28A5D890206_6008_UN" | "C1(=C(C(=CC=C1O)F)F)C3=CC=C2C(=O)OCCN2C3=O" | 21 | "2A7E6C31ADEDF2C3" |
"EEE2C410289CC127_4CF42097FD13C78F_6006_UN" | "COC1=CC2=C(C(=C1)OC)N=CC(=C2C3=CSC=C3)C#N" | 21 | "2B7971D11521DE4B" |
"D615DB27DF1637FB_D5AF84C3A06D7126_6006_UN" | "COC1=CC2=C(C(=C1)OC)N=CC(=C2C3=CON=C3)C#N" | 21 | "2B7971D11521DE4B" |
"3492F1CC807B50AC_46D71E880AE5F52E_6006_UN" | "COC1=CC2=C(C(=C1)OC)N=CC(=C2C3=C[NH]N=C3)C#N" | 21 | "2B7971D11521DE4B" |
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