diff --git "a/data/73.csv" "b/data/73.csv" --- "a/data/73.csv" +++ "b/data/73.csv" @@ -1,64526 +1,41979 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""2A70A6DE77289FE8_CCA4F1B2C8D54297_6035_UN""","""O(C(=CC#N)C1CCC1)C2=NN=C(S)[N]2CC3CCCO3""",21,"""9212887AB5E14CA0""" -"""3213D92322B471CD_C3A8DBEFF6E79AF9_6035_UN""","""O(C(=CC#N)C1CCC1)C2=CC=C(OCCCCC)C=C2""",21,"""9212887AB5E14CA0""" -"""8604265BEE7ADC00_92CBF4B1C0D705DD_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(COC)C=C(C=C2)C(=O)C""",21,"""9212887AB5E14CA0""" -"""85BCE83E47C0D8D4_36CFF6B38186C6AE_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(C(C)=O)C=C(C=C2CCl)Cl""",21,"""9212887AB5E14CA0""" -"""56D02FBB5277288B_4017632D5D84EDFF_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(C=CC=C2)C3=NN=C(S)[NH]3""",21,"""9212887AB5E14CA0""" -"""AF6E8219E68F0002_499B9685646569F3_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C3C(=C(C=C2)CCl)C=CC=N3""",21,"""9212887AB5E14CA0""" -"""3245ED1080E2E884_DE6950957801E4A5_6035_UN""","""O(C(=CC#N)C1CCC1)C2=CC=C(C(OC(C)C)=O)C=C2""",21,"""9212887AB5E14CA0""" -"""3D596B39EF8E1E19_DF891596BC6ED75B_6035_UN""","""O(C(=CC#N)C1CCC1)C2=CC(=CC=C2)N3CCNCC3""",21,"""9212887AB5E14CA0""" -"""3E56629BE46240A3_4C4BA7B226335B34_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(C=NNC(N)=O)C=CC=C2""",21,"""9212887AB5E14CA0""" -"""DE0BE96C74AC134D_1CB77CAC152DA27B_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(C(C)=O)C=C(C=C2CCl)F""",21,"""9212887AB5E14CA0""" -"""DC40CEE477D4DE97_A5A372F5B09CD54B_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(C=C(C(OC)=O)C=C2Cl)Cl""",21,"""9212887AB5E14CA0""" -"""A303EEBCF7D03CBB_094F398CE0453A84_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(OCC)C=C(C=C2Br)C#N""",21,"""9212887AB5E14CA0""" -"""400648149BA5FB0A_950DB969F726A37C_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(C=C(OCC)C=C2)CC=C""",21,"""9212887AB5E14CA0""" -"""F0BD6F79F8496A4A_6C8C1F3BEC2CA49D_6035_UN""","""O(C(=CC#N)C1CCC1)C2=C(C(OC)=O)C=CC=C2OC""",21,"""9212887AB5E14CA0""" 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