diff --git "a/data/45.csv" "b/data/45.csv" --- "a/data/45.csv" +++ "b/data/45.csv" @@ -1,64882 +1,64294 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""B59658876A43158C_0A631E2EBEAC68FD_6026_UN""","""[S](=O)(=O)(C1=CC(=CC=C1)Br)NC2=C(C=C(C=C2)SC#N)Br""",21,"""13CA2D10A5368532""" -"""8CEA9F47D56954FD_FB41E49293736C32_6026_UN""","""[S](=O)(=O)(C1=CC(=CC=C1)Br)N(C)CC2=CC(=CC=C2)OC""",21,"""13CA2D10A5368532""" -"""7D37B02349BC1EAF_CF46BA66B75F5184_6026_UN""","""[S](=O)(=O)(C1=CC(=CC=C1)Br)NC2=C(C=C(C=C2)SC#N)Cl""",21,"""13CA2D10A5368532""" -"""CDA72B9676D38C9B_BB47A1B53E8CE873_6026_UN""","""[S](=O)(=O)(C1=CC(=CC=C1)Br)NCCSCC2=CC=CC=C2""",21,"""13CA2D10A5368532""" -"""7AF74AD0238A8371_5D693C70BE9A544D_6026_UN""","""[S](=O)(=O)(C1=CC(=CC=C1)Br)NC2=CC3=C(C=C2)OC(=N3)C""",21,"""13CA2D10A5368532""" -"""71D465E7307C5BD1_77921A8F8B5D8C15_6026_UN""","""[S](=O)(=O)(C1=CC(=CC=C1)Br)NC2=C([S](C)(=O)=O)C=CC=C2""",21,"""13CA2D10A5368532""" 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