3
Candidates
{"N": 6}
Ground Truth
{"N": 15}
Top-1 Prediction
0.400
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
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.15 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#1
TOP-1
0.94 ± 0.04
c1cc2ccc3cccc4c5n[n]6->[Ru+2]<-[n]7ccncc7-c6nc5c(c1)c2c34
#1
TOP-1
0.27 ± 0.42
c1cc2ccc3cccc4c5n[n]6->[Ru+2]7(<-[n]8ccncc8-c6nc5c(c1)c2c34)<-[n]1cccc2ccc3ccc[n]->7c3c21
#1
TOP-1
0.20 ± 0.44
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[n]9ccncc9-c6nc5c(c1)c2c34)(<-[n]1cccc2ccc3ccc[n]->7c3c21)<-[n]1cc...
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.05 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]3(<-[n]5cccc6ccc7ccc[n]->3c7c65)<-[n]2c41
#2
0.31 ± 0.29
[Ru+2]<-[n]1ccnc(-c2nnc3c4cccc5ccc6cccc(c3n2)c6c54)c1
#2
0.07 ± 0.12
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]3<-[n]4ccncc4-c4nc5c6cccc7ccc8cccc(c5n[n]->34)c8c76)c12
#2
0.14 ± 0.20
C1=Nc2c(ccc3cccnc23)[CH]2[CH]1[Ru+2]213(<-[n]2ccncc2-c2nc4c5cccc6ccc7cccc(c4n[n]->12)c7c65)<-[n]1ccc...
#3
0.00 ± 0.00
c1cc2ccc3cccc4c5nc(-c6cncc[n]6->[Ru+2]6<-[n]7cccc8ccc9ccc[n]->6c9c87)nnc5c(c1)c2c34
#3
0.00 ± 0.00
c1cc2ccc3cccc4c5nc(-c6cncc[n]6->[Ru+2]6<-[n]7cccc8ccc9ccc[n]->6c9c87)nnc5c(c1)c2c34
#3
0.00 ± 0.00
c1cc2ccc3cccc4c5nc(-c6cncc[n]6->[Ru+2]6<-[n]7cccc8ccc9ccc[n]->6c9c87)nnc5c(c1)c2c34
#3
0.00 ± 0.00
c1cc2ccc3cccc4c5nc(-c6cncc[n]6->[Ru+2]6<-[n]7cccc8ccc9ccc[n]->6c9c87)nnc5c(c1)c2c34
#3
0.00 ± 0.00
c1cc2ccc3cccc4c5nc(-c6cncc[n]6->[Ru+2]6<-[n]7cccc8ccc9ccc[n]->6c9c87)nnc5c(c1)c2c34
#3
0.00 ± 0.00
c1cc2ccc3cccc4c5nc(-c6cncc[n]6->[Ru+2]6<-[n]7cccc8ccc9ccc[n]->6c9c87)nnc5c(c1)c2c34