2
Candidates
{"P": 1, "N": 3}
Ground Truth
{"O": 2, "N": 2}
Top-1 Prediction
0.000
Match Score
⚠ Per-candidate scores unavailable for sequential. Showing 30 candidates from single-ligand scoring.
For sequential results only top-1 prediction is stored.
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.49 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.78 ± 0.06
CCC1=C(C)C2=C(c3ccc(P(=NC4=[O]->[Ru+2]<-[n]5ccccc54)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#1
TOP-1
0.10 ± 0.23
CCC1=C(C)C2=C(c3ccc(P(=NC4=[O]->[Ru+2]56789(<-[cH]%10[cH]->5[c]->6(C(C)C)[cH]->7[cH]->8[c]->9%10C)<-...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=O)c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)([CH3]->[Ru+2])...
#2
0.50 ± 0.29
CCC1=C(C)C2=C(c3ccc(P(c4ccccc4)(c4ccccc4)=[N]4->[Ru+2]<-[n]5ccccc5C4=O)cc3)c3c(C)c(CC)c(C)n3[B-](C)(...
#2
0.04 ± 0.09
CCC1=C(C)C2=C(c3ccc(P(=NC4=[O]->[Ru+2]5(<-[cH]6c(C)ccc(C(C)C)[cH]->56)<-[n]5ccccc54)(c4ccccc4)c4cccc...
#3
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=[O]->[Ru+2])c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N...
#3
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=[O]->[Ru+2])c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N...
#3
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=[O]->[Ru+2])c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N...
#3
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=[O]->[Ru+2])c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N...
#3
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=[O]->[Ru+2])c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N...
#3
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=[O]->[Ru+2])c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N...
#3
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=[O]->[Ru+2])c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N...
#3
0.00 ± 0.00
CCC1=C(C)C2=C(c3ccc(P(=NC(=[O]->[Ru+2])c4ccccn4)(c4ccccc4)c4ccccc4)cc3)c3c(C)c(CC)c(C)n3[B-](C)(C)[N...