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[O-1]
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[\S@@+1]
|
[SH1]
|
[/O-1]
|
[\B]
|
[Br]
|
[125I]
|
[131I]
|
[127I]
|
[/S@+1]
|
[=NH1+1]
|
[3H]
|
[#Ring2]
|
[N-1]
|
[=PH1]
|
[\CH1]
|
[B]
|
[=N+1]
|
[/Si]
|
[/CH2-1]
|
[#NH0]
|
[SnH2]
|
[/N@@+1]
|
[Si-1]
|
[CH1]
|
[\123I]
|
[/NH0]
|
[=CH0]
|
[17O]
|
[/P]
|
[/O+1]
|
[/I]
|
[N@@]
|
[Branch1]
|
[/C]
|
[124I]
|
[/N+1]
|
[/123I]
|
[/P@@]
|
[Sn+2]
|
[N@+1]
|
[SH0]
|
[O+1]
|
[C-1]
|
[/S@@+1]
|
[32P]
|
[#Branch1]
|
[S@@H1]
|
[\B-1]
|
[SnH6+3]
|
[P@H1]
|
[\C@@]
|
[33P]
|
[=S@@]
|
[14CH3]
|
[=SH1]
|
[CH1+1]
|
[123I]
|
[C@@H1]
|
[C+1]
|
[135I]
|
[=Ring1]
|
[P@@H1]
|
[\NH1]
|
[=Branch1]
|
[#C-1]
|
[/NH1]
|
[/F]
|
[/131I]
|
[/S+1]
|
[11CH3]
|
[Sn+1]
|
[/125I]
|
[/OH0]
|
[76Br]
|
[\S@]
|
[PH4]
|
[18OH1]
|
[Sn@@H1]
|
[/B-1]
|
[/CH1-1]
|
[N+1]
|
[/C-1]
|
[\CH0]
|
[=P]
|
[\O-1]
|
[I+3]
|
[\F]
|
[=P@]
|
[/S]
|
[BH3-1]
|
[B@@H1-1]
|
[=Branch2]
|
[\Sn]
|
[C@@]
|
[N]
|
[\I]
|
[\C@@H1]
|
[Cl]
|
[P@]
|
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1,863,903,840 samples.
Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the ZINC-20 dataset found at https://zinc20.docking.org/tranches/home/ with react set to standard and purchasability set to annotated. ZINC-20 compounds collected in 17 August 2023.
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