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Complex #53 — Ru(2) [1b]

GT: {"O": 4, "S": 2} → Top-1: {"O": 4, "S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
20
Candidates
{"O": 4, "S": 2}
Ground Truth
{"O": 4, "S": 1}
Top-1 Prediction
0.990
Match Score
#1 TOP-1 0.98 ± 0.01
Cc1occc2=[O]->[Ru+][O]c12
#1 TOP-1 0.87 ± 0.18
Cc1occc2=[O]->[Ru]3([O]c12)[O]c1c(C)occc1=[O]->3
#1 TOP-1 0.99 ± 0.02
Cc1occc2=[O]->[Ru]3([O]c12)([O]c1c(C)occc1=[O]->3)<-[S]1(=O)CCCC1
#1 TOP-1 0.98 ± 0.03
Cc1occc2=[O]->[Ru]3([O]c12)([O]c1c(C)occc1=[O]->3)(<-[S]1(=O)CCCC1)<-[S]1(=O)CCCC1
#2 0.08 ± 0.10
Cc1occc(=O)c1[O][Ru+]
#2 0.67 ± 0.23
Cc1occc(=O)c1[O][Ru]1[O]c2c(C)occc2=[O]->1
#2 0.70 ± 0.37
Cc1occc2=[O]->[Ru]3([O]c12)([O]c1c(C)occc1=[O]->3)<-[O]=S1CCCC1
#2 0.94 ± 0.09
Cc1occc2=[O]->[Ru]3([O]c12)([O]c1c(C)occc1=[O]->3)(<-[O]=S1CCCC1)<-[S]1(=O)CCCC1
#3 0.01 ± 0.01
Cc1occc2=[O]->[Ru+2]<-[O-]c12
#3 0.11 ± 0.12
Cc1occc2=[O]->[Ru+]3([O]c12)<-[O]=c1ccoc(C)c1[O-]->3
#4 0.00 ± 0.00
Cc1oc[cH]2->[Ru+][O]c1c2=O
#4 0.02 ± 0.02
Cc1occc(=O)c1[O-]->[Ru+]1[O]c2c(C)occc2=[O]->1
#5 0.00 ± 0.00
Cc1occc(=O)c1[O-]->[Ru+2]
#5 0.01 ± 0.01
Cc1occc2=[O]->[Ru]3([O]c12)[O]c1c(C)oc[cH]->3c1=O
#6 0.00 ± 0.00
Cc1occc(=[O]->[Ru+2])c1[O-]
#6 0.00 ± 0.00
Cc1occc(=[O]->[Ru+]2[O]c3c(C)occc3=[O]->2)c1[O-]
#7 0.00 ± 0.00
Cc1c([O-])c(=O)cc[o]1->[Ru+2]
#7 0.00 ± 0.00
Cc1occc2=[O]->[Ru+]([O]c12)<-[o]1ccc(=O)c([O-])c1C
#8 0.00 ± 0.00
Cc1oc[cH](->[Ru+2])c(=O)c1[O-]
#8 0.00 ± 0.00
Cc1occc2=[O]->[Ru+]([O]c12)<-[cH]1coc(C)c([O-])c1=O