3
Candidates
{"S": 2, "O": 4}
Ground Truth
{"S": 6, "O": 6}
Top-1 Prediction
0.500
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
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.98 ± 0.03
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1
TOP-1
0.99 ± 0.01
CC[S]1(=O)CC[S](=O)(CC)->[Ru+]<-12[O]c1c(C)occc1=[O]->2
#1
TOP-1
0.99 ± 0.02
CC[S]1(=O)CC[S](=O)(CC)->[Ru]<-123([O]c1c(C)occc1=[O]->2)[O]c1c(C)occc1=[O]->3
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.98 ± 0.00
Cc1occc2=[O]->[Ru+][O]c12
#2
0.14 ± 0.10
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#2
0.86 ± 0.11
CC[S]1(=O)CC[S](=O)(CC)->[Ru+]<-1[O]c1c(C)occc1=O
#2
0.98 ± 0.05
CC[S]1(=O)CC[S](=O)(CC)->[Ru]<-12([O]c1c(C)occc1=O)[O]c1c(C)occc1=[O]->2
#3
0.19 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.19 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.19 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.19 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.19 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#3
0.19 ± 0.00
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1