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Complex #6728 — Rh(3) [1c]

GT: {"O": 3} → Top-1: {"O": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
30
Candidates
{"O": 3}
Ground Truth
{"O": 1}
Top-1 Prediction
0.333
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#1 TOP-1 0.38 ± 0.00
[OH][Ru+2]
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#2 0.32 ± 0.00
N1[O][Ru+2]<-[O]=1
#3 0.18 ± 0.00
O=N[O][Ru+2]
#3 0.18 ± 0.00
O=N[O][Ru+2]
#3 0.18 ± 0.00
O=N[O][Ru+2]
#3 0.18 ± 0.00
O=N[O][Ru+2]
#3 0.18 ± 0.00
O=N[O][Ru+2]
#3 0.18 ± 0.00
O=N[O][Ru+2]
#3 0.18 ± 0.00
O=N[O][Ru+2]
#3 0.18 ± 0.00
O=N[O][Ru+2]
#3 0.18 ± 0.00
O=N[O][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#4 0.14 ± 0.00
[O-][Ru+2]
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#5 0.08 ± 0.00
O=N[O][Ru+][O]N=O
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#6 0.01 ± 0.00
[N]=[O]->[Ru+3]
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#7 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2][O]N=O)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#8 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+2]([O]N=O)<-[n]2ccc(C(=O)OCC)cc2)cc1
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#9 0.00 ± 0.00
O=[N]([O-])->[Ru+3]
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#10 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3])cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#11 0.00 ± 0.00
CCOC(=O)c1cc[n](->[Ru+3]<-[n]2ccc(C(=O)OCC)cc2)cc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#12 0.00 ± 0.00
CCOC(=[O]->[Ru+3])c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#13 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1ccncc1)c1ccncc1
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#14 0.00 ± 0.00
[O-]N=[O]->[Ru+3]
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#15 0.00 ± 0.00
CC[O](->[Ru+3])C(=O)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#16 0.00 ± 0.00
CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1ccncc1)c1ccncc1
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]
#17 0.00 ± 0.00
CCOC(=O)c1ccnc[cH]1->[Ru+3]