product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"3C945EFA8EC7FFA5_B41BFEBC3454A0FB_6036_UN" | "CN2C(C(CN1CC[S]1(=O)=O)CC2=O)C3=CC(=CC=C3)Cl" | 21 | "2380D66BF6557BE3" |
"660021058B00BDD2_9F5D07F43544D086_2238_DP" | "BrC5=C2C1=C(CN(CC1)C23C(NCC34CCNCC4)=O)S5" | 21 | "25D85C9B0B62DAB2" |
"6DE1B3AB437E9E7D_603BF1B8180C990F_2238_UN" | "BrC5=C2C1=C(CN(CC1)C23C4(CNC3=O)CCCCC4)S5" | 21 | "25D85C9B0B62DAB2" |
"66FF40CCC8992C3A_1171F7AF0CA26DCB_6036_UN" | "CC(C1=C(C=C(C=C1)N2CCOCC2)Cl)N(C)[S](=O)(=O)C" | 21 | "2681BA99E70B137D" |
"F6010F9406F76D72_B11A924E250AC865_6036_UN" | "CC(C1=C(C=C(C=C1)N2CCOCC2)Cl)N3CC[S]3(=O)=O" | 21 | "2681BA99E70B137D" |
"034F09826E9CB529_11782E2F3C99F407_6036_UN" | "C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)N(C)[S](=O)(=O)C" | 21 | "26886319D7308AB1" |
"82DCC92A621DC729_B1134BCE153151A9_6036_UN" | "C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)N3CC[S]3(=O)=O" | 21 | "26886319D7308AB1" |
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