3
Candidates
{"O": 1, "N": 5}
Ground Truth
{"N": 12}
Top-1 Prediction
0.385
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
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#1
TOP-1
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#1
TOP-1
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#1
TOP-1
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#1
TOP-1
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#1
TOP-1
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#1
TOP-1
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#1
TOP-1
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#1
TOP-1
0.09 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4[nH]c5c6cccnc6c6ncccc6c5[n]4->[Ru+2]45(<-[n]6ccccc6-c6cccc[n]->46)<-[...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#2
0.08 ± 0.00
O=[N+]([O-])c1ccc2nc(-c3ccc(-c4nc5c6ccc[n](->[Ru+2]7<-[n]8ccccc8-c8cccc[n]->78)c6c6ncccc6c5[nH]4)cc3...
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#3
0.00 ± 0.00
O=[N+]1[O][Ru+]2<-[n]3cccc4c5nc(-c6ccc(-c7[nH]c8cc1ccc8[n]->27)cc6)[nH]c5c1cccnc1c43
#4
0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1
#4
0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1
#4
0.00 ± 0.00
c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1