3
Candidates
{"N": 5, "O": 1}
Ground Truth
{"O": 3, "N": 9}
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
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC([O-])=Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc[n]1->[Ru+2]12(<-[n]3ccccc3-c3cccc[n]->13)...
#1
TOP-1
0.23 ± 0.33
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
#1
TOP-1
0.42 ± 0.50
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]4(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)<-[n]3ccccc3-c3cccc[n]->43)cc2)ccn1
#1
TOP-1
0.39 ± 0.53
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)(<-[n]3ccccc3-c3cccc[n]->43)<-[n]3ccc...
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC1=[O]->[Ru+][O]C(=Nc2ccc(Cl)c(C(F)(F)F)c2)Nc2ccc(Oc3ccnc1c3)cc2
#2
0.00 ± 0.00
CNC(=O)c1cc(Oc2ccc(NC(=Nc3ccc(Cl)c(C(F)(F)F)c3)[O][Ru+])cc2)ccn1
#2
0.13 ± 0.28
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]45(<-[cH]6ccnc(-c7cccc[n]->47)[cH]->56)<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3)c...
#2
0.14 ± 0.23
CNC(=O)c1cc(Oc2ccc(NC3[O][Ru+]456(<-[cH]7ccnc(-c8cccc[n]->48)[cH]->57)(<-[N]=3c3ccc(Cl)c(C(F)(F)F)c3...
#3
0.00 ± 0.00
C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12
#3
0.00 ± 0.00
C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12
#3
0.00 ± 0.00
C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12
#3
0.00 ± 0.00
C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12
#3
0.00 ± 0.00
C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12
#3
0.00 ± 0.00
C1=NC(c2ccccn2)=C[CH]2[Ru+2][CH]12