3
Candidates
{"N": 7}
Ground Truth
{"N": 12}
Top-1 Prediction
0.583
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
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.99 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
1.00 ± 0.00
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]<-[N]=3N2)cc1
#1
TOP-1
0.69 ± 0.34
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]4(<-[N]=3N2)<-[n]2c(C)ccc3ccc5ccc(C)[n]->4c5c32)cc1
#1
TOP-1
0.96 ± 0.09
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[N]=3N2)(<-[n]2c(C)ccc3ccc6ccc(C)[n]->4c6c32)<-[n]2c(C)ccc3ccc4c...
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.96 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#2
0.00 ± 0.00
COc1ccc(C2CC(c3cccc[n]3->[Ru+2])=NN2)cc1
#2
0.23 ± 0.22
COc1ccc(C2CC3c4cccc[n]4->[Ru+2](<-[N]=3N2)<-[n]2c(C)ccc3ccc4ccc(C)nc4c32)cc1
#2
0.52 ± 0.44
COc1ccc(C2CC3c4cccc[n]4->[Ru+2]45(<-[N]=3N2)(<-[n]2c(C)ccc3ccc6ccc(C)[n]->4c6c32)<-[n]2c3c(ccc4ccc(C...
#3
0.09 ± 0.00
Cc1ccc2ccc3ccc(C)[n](->[Ru+2]4<-[n]5c(C)ccc6ccc7ccc(C)[n]->4c7c65)c3c2n1
#3
0.09 ± 0.00
Cc1ccc2ccc3ccc(C)[n](->[Ru+2]4<-[n]5c(C)ccc6ccc7ccc(C)[n]->4c7c65)c3c2n1
#3
0.09 ± 0.00
Cc1ccc2ccc3ccc(C)[n](->[Ru+2]4<-[n]5c(C)ccc6ccc7ccc(C)[n]->4c7c65)c3c2n1
#3
0.09 ± 0.00
Cc1ccc2ccc3ccc(C)[n](->[Ru+2]4<-[n]5c(C)ccc6ccc7ccc(C)[n]->4c7c65)c3c2n1
#3
0.09 ± 0.00
Cc1ccc2ccc3ccc(C)[n](->[Ru+2]4<-[n]5c(C)ccc6ccc7ccc(C)[n]->4c7c65)c3c2n1
#3
0.09 ± 0.00
Cc1ccc2ccc3ccc(C)[n](->[Ru+2]4<-[n]5c(C)ccc6ccc7ccc(C)[n]->4c7c65)c3c2n1