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Complex #278 — Ru(2) [Ru3]

GT: {"O": 1} → Top-1: {"O": 1, "S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
19
Candidates
{"O": 1}
Ground Truth
{"O": 1, "S": 1}
Top-1 Prediction
0.690
Match Score
#1 TOP-1 0.69 ± 0.41
CSC1C=C([O][Ru+]<-[S]=1)c1cccc(O)c1
#1 TOP-1 0.25 ± 0.41
CSC1C=C([O][Ru+]23456(<-[S]=1)<-[cH]1[cH]->2[c]->3(C(C)C)[cH]->4[cH]->5[c]->61C)c1cccc(O)c1
#2 0.00 ± 0.01
CSC(=S)/C=C(\[O][Ru+])c1cccc(O)c1
#2 0.11 ± 0.16
CSC1C=C([O][Ru+]2(<-[S]=1)<-[cH]1c(C)ccc(C(C)C)[cH]->21)c1cccc(O)c1
#3 0.00 ± 0.00
CSC(=S)C=C([O][Ru+])c1cccc(O)c1
#3 0.01 ± 0.02
CSC1C=C([O][Ru+](<-[S]=1)<-[cH]1cc(C(C)C)ccc1C)c1cccc(O)c1
#4 0.00 ± 0.00
CSC(C=C([O-])c1cccc(O)c1)=[S]->[Ru+2]
#4 0.01 ± 0.02
CSC1C=C([O][Ru+](<-[S]=1)<-[cH]1cc(C)ccc1C(C)C)c1cccc(O)c1
#5 0.00 ± 0.00
CSC(=S)C=C([O-]->[Ru+2])c1cccc(O)c1
#6 0.00 ± 0.00
CSC(=S)C=C([O-])c1cccc([OH]->[Ru+2])c1
#7 0.00 ± 0.00
C[S](->[Ru+2])C(=S)C=C([O-])c1cccc(O)c1
#8 0.00 ± 0.00
CSC(=S)C=C([O-])c1cc(O)[cH]2->[Ru+2]<-[cH]2c1
#9 0.00 ± 0.00
CSC(=S)C=C([O-])c1cc(O)c[cH]2->[Ru+2]<-[cH]12
#10 0.00 ± 0.00
CSC(=S)C=C([O-])c1cc(O)[cH]2->[Ru+]3<-[cH]1[cH]->32
#11 0.00 ± 0.00
CSC(=S)[CH](->[Ru+2])=C([O-])c1cccc(O)c1
#12 0.00 ± 0.00
CSC(=S)C=C([O-])c1cc(O)c[cH](->[Ru+2])c1
#13 0.00 ± 0.00
CSC(=S)C=C([O-])c1cc[cH](->[Ru+2])c(O)c1
#14 0.00 ± 0.00
CSC(=S)C=C([O-])c1cc(O)cc[cH]1->[Ru+2]
#15 0.00 ± 0.00
CSC(=S)C=C([O-])c1cccc(O)[cH]1->[Ru+2]