home← all results complex #196

Complex #196 — Ru(2) [2]

GT: {"N": 2, "O": 1} → Top-1: {"O": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
37
Candidates
{"N": 2, "O": 1}
Ground Truth
{"O": 1, "N": 1}
Top-1 Prediction
0.660
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.66 ± 0.34
CC(c1ccccc1)=[N]1N=C([O][Ru+]<-1)c1ccc(Cl)cc1
#1 TOP-1 0.39 ± 0.31
CC(c1ccccc1)=[N]1N=C([O][Ru+]<-1234[CH]1C=C[CH]2[CH]3[CH]14)c1ccc(Cl)cc1
#2 0.01 ± 0.03
CC(=N[N]1->[Ru+][O]C=1c1ccc(Cl)cc1)c1ccccc1
#2 0.12 ± 0.24
CC(c1ccccc1)=[N]1N=C([O][Ru+]<-123456<-[cH]1[cH]->2[cH]->3[cH]->4[cH]->5[cH]->61)c1ccc(Cl)cc1
#3 0.00 ± 0.00
CC1=NN=C([O][Ru+]23456<-[cH]7[cH]->2[cH]->3[c]->41[cH]->5[cH]->67)c1ccc(Cl)cc1
#3 0.08 ± 0.10
CC(c1ccccc1)=[N]1N=C([O][Ru+]<-12[CH]1C=CC=C[CH]12)c1ccc(Cl)cc1
#4 0.00 ± 0.00
CC(c1ccccc1)=[N]1->[Ru+2]<-[N]1=C([O-])c1ccc(Cl)cc1
#4 0.02 ± 0.02
CC(c1ccccc1)=[N]1N=C([O][Ru+]<-12<-[cH]1cccc[cH]->21)c1ccc(Cl)cc1
#5 0.00 ± 0.00
CC(=NN=C([O][Ru+])c1ccc(Cl)cc1)c1ccccc1
#5 0.01 ± 0.01
CC(c1ccccc1)=[N]1N=C([O][Ru+]<-1234<-[cH]1cc[cH]->2[cH]->3[cH]->41)c1ccc(Cl)cc1
#6 0.00 ± 0.00
CC(=N[N](->[Ru+2])=C([O-])c1ccc(Cl)cc1)c1ccccc1
#6 0.00 ± 0.00
CC(c1ccccc1)=[N]1N=C([O][Ru+]<-1<-[cH]1ccccc1)c1ccc(Cl)cc1
#7 0.00 ± 0.00
CC(c1ccccc1)=[N](->[Ru+2])N=C([O-])c1ccc(Cl)cc1
#7 0.00 ± 0.00
CC(c1ccccc1)=[N]1N=C([O][Ru]<-123<-[cH]1ccc[cH]->2[cH]->31)c1ccc(Cl)cc1
#8 0.00 ± 0.00
CC(=NN=C([O-]->[Ru+2])c1ccc(Cl)cc1)c1ccccc1
#9 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)[c]12->[Ru+2]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62
#10 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)c1cc[cH]2->[Ru+2]<-[cH]2c1
#11 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)C1=C[CH]2[Ru+2][CH]2C=C1
#12 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)[cH]2->[Ru+2]<-[cH]12)c1ccccc1
#13 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)C1=CC=C[CH]2[Ru+2][CH]12
#14 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)c1ccc[cH]2->[Ru+2]<-[cH]12
#15 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)c1cc[cH]2->[Ru+]3<-[cH]1[cH]->32
#16 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32
#17 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#18 0.00 ± 0.00
CC1=NN=C([O-])c2ccc(Cl)[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)c2
#19 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)c1cc[cH](->[Ru+2])cc1
#20 0.00 ± 0.00
CC1=NN=C([O-])c2ccc(Cl)[cH]3->[Ru+2](<-[cH]4ccc1cc4)<-[cH]23
#21 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)c1ccc[cH](->[Ru+2])c1
#22 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)[cH](->[Ru+2])c1)c1ccccc1
#23 0.00 ± 0.00
CC1=NN=C([O-])c2ccc(Cl)[cH]3->[Ru+2](<-[cH]4cccc1c4)<-[cH]23
#24 0.00 ± 0.00
CC1=NN=C([O-])c2ccc(Cl)c[cH]2->[Ru+2]2<-[cH]3ccc1c[cH]->23
#25 0.00 ± 0.00
CC1=NN=C([O-])c2ccc(Cl)[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)c2
#26 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234
#27 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)c[cH]1->[Ru+2])c1ccccc1
#28 0.00 ± 0.00
CC1=NN=C([O-])c2ccc(Cl)c[cH]2->[Ru+2]2<-[cH]3cccc1[cH]->23
#29 0.00 ± 0.00
CC1=NN=C([O-])c2ccc(Cl)[cH]3->[Ru+2](<-[cH]4ccccc41)<-[cH]23
#30 0.00 ± 0.00
CC(=NN=C([O-])c1ccc(Cl)cc1)c1cccc[cH]1->[Ru+2]