diff --git "a/data/87.csv" "b/data/87.csv" --- "a/data/87.csv" +++ "b/data/87.csv" @@ -1,65628 +1,64438 @@ product_name,product_smiles,heavy_atoms,r1_hashisy -"""88415CA20CBDF651_9C1CE3B60D274256_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC3=C(C=C(C=C3)SC#N)Br""",21,"""85B5D08816BDAF99""" -"""7A81E8D9E60CEE60_B4BD077BE44D235D_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC3=C(C=C(C=N3)Br)[N](=O)=O""",21,"""85B5D08816BDAF99""" -"""0246634BDEB57AF0_593947FE04D47B2F_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC3=C(C=C(C=C3)SC#N)Cl""",21,"""85B5D08816BDAF99""" -"""A1D8C7D7B79A7E54_2D385C2D8D07C2D8_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NCCSCC3=CC=CC=C3""",21,"""85B5D08816BDAF99""" -"""8EA42989DD5918FB_CB16C1E80D117EE6_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC3=CC4=C(C=C3)OC(=N4)C""",21,"""85B5D08816BDAF99""" -"""2C427BF9A956D5B5_1896D13C0FB5351B_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC3=CC=N[N]3C4CCCC4""",21,"""85B5D08816BDAF99""" -"""BC1978E068963A06_5CA75360CEF5C141_7022_UN""","""C2(=C1OC=CC1=CC=C2F)OC3=CC=C(C=C3)C(F)(F)F""",21,"""85B5D08816BDAF99""" -"""9F2B770F969554BB_37C189FD68C4D494_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC(=O)C3=CC=C(C=C3)CCl""",21,"""85B5D08816BDAF99""" -"""16DFE38415A0EF71_EB1D4A80E9C47526_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC3=NN=C(S3)C4=CC=CO4""",21,"""85B5D08816BDAF99""" -"""1AD3247212757C22_48F2A31B09AEB98A_7022_UN""","""C2(=C1OC=CC1=CC=C2F)OCC4=CC3=C(C=CC=C3)O4""",21,"""85B5D08816BDAF99""" -"""A9712D70C302611A_E1EDE71738D6A6BE_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC3=C([S](C)(=O)=O)C=CC=C3""",21,"""85B5D08816BDAF99""" -"""4F9A515D69CF8C04_0F97CB11DD8F4449_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC4CCC3CCCCC3C4""",21,"""85B5D08816BDAF99""" -"""9F5C6AC1D7D3BBEC_2125667855533EDC_7022_UN""","""C2(=C1OC=CC1=CC=C2F)SC3=CC=C(C(OC)=O)C=C3""",21,"""85B5D08816BDAF99""" -"""78EA9CF82EC74C6F_7B7EA5274AA37BCD_7022_UN""","""C2(=C1OC=CC1=CC=C2F)NC3CCN(CC(C)C)CC3""",21,"""85B5D08816BDAF99""" 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