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Complex #111 — Ru(2) [2]

GT: {"O": 1, "N": 2} → Top-1: {"N": 1, "O": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
27
Candidates
{"O": 1, "N": 2}
Ground Truth
{"N": 1, "O": 1}
Top-1 Prediction
0.950
Match Score
#1 TOP-1 0.95 ± 0.10
Clc1ccc(C2=N/[N](=C\c3cccs3)->[Ru+][O]2)cc1
#1 TOP-1 0.54 ± 0.33
Clc1ccc(C2=N/[N](=C\c3cccs3)->[Ru+]345([O]2)[CH]2C=C[CH]3[CH]4[CH]25)cc1
#2 0.05 ± 0.11
Clc1ccc(/C(=N/N=C\c2cccs2)[O][Ru+])cc1
#2 0.24 ± 0.38
Clc1ccc(C2=N/[N](=C\c3cccs3)->[Ru+]34567([O]2)<-[cH]2[cH]->3[cH]->4[cH]->5[cH]->6[cH]->72)cc1
#3 0.01 ± 0.01
Clc1ccc(C2=N[N]3=Cc4ccc[s]4->[Ru+]<-3[O]2)cc1
#3 0.24 ± 0.39
Clc1ccc(C2=N/[N](=C\c3cccs3)->[Ru+]3([O]2)[CH]2C=CC=C[CH]23)cc1
#4 0.01 ± 0.01
Clc1ccc(C2[O][Ru+]<-[N]=2/N=C\c2cccs2)cc1
#4 0.13 ± 0.20
Clc1ccc(C2=N/[N](=C\c3cccs3)->[Ru+]3([O]2)<-[cH]2cccc[cH]->32)cc1
#5 0.00 ± 0.00
[O-]/C(c1ccc(Cl)cc1)=[N]1->[Ru+2]<-[N]/1=C/c1cccs1
#5 0.08 ± 0.15
Clc1ccc(C2=N/[N](=C\c3cccs3)->[Ru+]345([O]2)<-[cH]2cc[cH]->3[cH]->4[cH]->52)cc1
#6 0.00 ± 0.00
Clc1ccc(/C(=N/N=C\c2cccs2)[O-]->[Ru+2])cc1
#6 0.03 ± 0.08
Clc1ccc(C2=N/[N](=C\c3cccs3)->[Ru+]([O]2)<-[cH]2ccccc2)cc1
#7 0.00 ± 0.00
[O-]/C(=N\[N](->[Ru+2])=C/c1cccs1)c1ccc(Cl)cc1
#7 0.00 ± 0.00
Clc1ccc(C2=N/[N](=C\c3cccs3)->[Ru]34([O]2)<-[cH]2ccc[cH]->3[cH]->42)cc1
#8 0.00 ± 0.00
[O-]/C(c1ccc(Cl)cc1)=[N](->[Ru+2])\N=C/c1cccs1
#9 0.00 ± 0.00
[O-]/C(=N\N=C/c1ccc[s]1->[Ru+2])c1ccc(Cl)cc1
#10 0.00 ± 0.00
[O-]/C(=N\N=C/c1c[cH]2->[Ru+2]<-[cH]2s1)c1ccc(Cl)cc1
#11 0.00 ± 0.00
[O-]/C(=N\N=C/c1sc[cH]2->[Ru+2]<-[cH]12)c1ccc(Cl)cc1
#12 0.00 ± 0.00
[O-]/C(=N\N=C/c1cccs1)c1ccc(Cl)[cH]2->[Ru+2]<-[cH]12
#13 0.00 ± 0.00
[O-]/C(=N\N=C/c1c[cH](->[Ru+2])cs1)c1ccc(Cl)cc1
#14 0.00 ± 0.00
[O-]/C(=N\N=C/c1scc[cH]1->[Ru+2])c1ccc(Cl)cc1
#15 0.00 ± 0.00
[O-]/C(=N\N=C/c1cccs1)c1ccc(Cl)[cH](->[Ru+2])c1
#16 0.00 ± 0.00
[O-]/C(=N\N=C/c1cccs1)c1ccc(Cl)c[cH]1->[Ru+2]
#17 0.00 ± 0.00
[O-]/C1=N\N=C/c2sc[cH]3->[Ru+2](<-[cH]4cc1ccc4Cl)<-[cH]23
#18 0.00 ± 0.00
[O-]/C1=N\N=C/c2c[cH](->[Ru+2]3<-[cH]4c(Cl)ccc1[cH]->34)cs2
#19 0.00 ± 0.00
[O-]/C1=N\N=C/c2scc[cH]2->[Ru+2]2<-[cH]3c(Cl)ccc1[cH]->23
#20 0.00 ± 0.00
[O-]/C1=N\N=C/c2sc[cH]3->[Ru+2](<-[cH]4cc(Cl)ccc41)<-[cH]23