3
Candidates
{"O": 1, "N": 4}
Ground Truth
{"O": 6, "N": 6}
Top-1 Prediction
0.417
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
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.36 ± 0.00
CC1=CC(=O)c2c([O][Ru+]3<-[n]4ccccc4-c4cccc[n]->34)cccc2C1=O
#1
TOP-1
0.62 ± 0.20
CC1=CC2=[O]->[Ru+][O]c3cccc(c32)C1=O
#1
TOP-1
0.43 ± 0.42
CC1=CC2=[O]->[Ru+]3([O]c4cccc(c42)C1=O)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.29 ± 0.37
CC1=CC2=[O]->[Ru+]34([O]c5cccc(c52)C1=O)(<-[n]1ccccc1-c1cccc[n]->31)<-[n]1ccccc1-c1cccc[n]->41
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.00 ± 0.00
CC1=CC(=O)c2c3[O-]->[Ru+2]<-[O]=C1c2ccc3
#2
0.16 ± 0.10
CC1=CC(=O)c2c([O][Ru+])cccc2C1=O
#2
0.00 ± 0.01
CC1=CC2=[O]->[Ru+]34([O]c5cccc(c52)C1=O)<-[cH]1ccnc(-c2cccc[n]->32)[cH]->41
#2
0.09 ± 0.21
CC1=CC2=[O]->[Ru+]345([O]c6cccc(c62)C1=O)(<-[cH]1cccnc1-c1ncc[cH]->3[cH]->41)<-[n]1ccccc1-c1cccc[n]-...
#3
0.00 ± 0.00
CC1=CC(=O)c2c([O][Ru+]<-[n]3ccccc3-c3ccccn3)cccc2C1=O
#3
0.00 ± 0.00
CC1=CC(=O)c2c([O][Ru+]<-[n]3ccccc3-c3ccccn3)cccc2C1=O
#3
0.00 ± 0.00
CC1=CC(=O)c2c([O][Ru+]<-[n]3ccccc3-c3ccccn3)cccc2C1=O
#3
0.00 ± 0.00
CC1=CC(=O)c2c([O][Ru+]<-[n]3ccccc3-c3ccccn3)cccc2C1=O
#3
0.00 ± 0.00
CC1=CC(=O)c2c([O][Ru+]<-[n]3ccccc3-c3ccccn3)cccc2C1=O
#3
0.00 ± 0.00
CC1=CC(=O)c2c([O][Ru+]<-[n]3ccccc3-c3ccccn3)cccc2C1=O