3
Candidates
{"N": 8}
Ground Truth
{"N": 9}
Top-1 Prediction
0.889
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
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.88 ± 0.00
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.90 ± 0.10
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.19 ± 0.42
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8ccc9ccc[n]->6c9c87)<-[n]6cccc(c3[nH]2)c6c45)cc1
#1
TOP-1
0.20 ± 0.43
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)(<-[n]6cccc8ccc9ccc[n]->7c9c86)<-[...
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.17 ± 0.00
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9ccc%10ccc[n]->6c%10c98)<-[n]6cccc(c6c45)c3[n]->72)cc1
#2
0.12 ± 0.11
c1ccc(-c2[nH]c3c4ccc[n]5->[Ru+2]6<-[n]7cccc(c7c45)c3[n]->62)cc1
#2
0.01 ± 0.01
C1=Nc2c(ccc3cccnc23)[CH]2[CH]1[Ru+2]21<-[n]2cccc3c4nc(-c5ccccc5)[nH]c4c4ccc[n]->1c4c32
#2
0.02 ± 0.03
c1ccc(-c2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8ccc9cccnc9c87)(<-[n]7cccc8ccc9ccc[n]->6c9c87)<-[n]6cccc(c3...
#3
0.09 ± 0.00
c1ccc(-c2nc3c4cccnc4c4c(ccc[n]4->[Ru+2]4<-[n]5cccc6ccc7ccc[n]->4c7c65)c3[nH]2)cc1
#3
0.09 ± 0.00
c1ccc(-c2nc3c4cccnc4c4c(ccc[n]4->[Ru+2]4<-[n]5cccc6ccc7ccc[n]->4c7c65)c3[nH]2)cc1
#3
0.09 ± 0.00
c1ccc(-c2nc3c4cccnc4c4c(ccc[n]4->[Ru+2]4<-[n]5cccc6ccc7ccc[n]->4c7c65)c3[nH]2)cc1
#3
0.09 ± 0.00
c1ccc(-c2nc3c4cccnc4c4c(ccc[n]4->[Ru+2]4<-[n]5cccc6ccc7ccc[n]->4c7c65)c3[nH]2)cc1
#3
0.09 ± 0.00
c1ccc(-c2nc3c4cccnc4c4c(ccc[n]4->[Ru+2]4<-[n]5cccc6ccc7ccc[n]->4c7c65)c3[nH]2)cc1
#3
0.09 ± 0.00
c1ccc(-c2nc3c4cccnc4c4c(ccc[n]4->[Ru+2]4<-[n]5cccc6ccc7ccc[n]->4c7c65)c3[nH]2)cc1