3
Candidates
{"N": 7}
Ground Truth
{"N": 12}
Top-1 Prediction
0.583
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
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.31 ± 0.00
c1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c2c1)<-[n]1ccccc1-c1cccc[n]->31
#1
TOP-1
0.94 ± 0.09
Cc1cc[n]2->[Ru+2]<-[n]3ccc(CN=C(O)c4cc(O)c5c(c4)C(=O)c4cccc(O)c4C5=O)cc3-c2c1
#1
TOP-1
0.01 ± 0.02
Cc1cc[n]2->[Ru+2]3(<-[n]4ccccc4-c4cccc[n]->34)<-[n]3ccc(CN=C(O)c4cc(O)c5c(c4)C(=O)c4cccc(O)c4C5=O)cc...
#1
TOP-1
0.02 ± 0.04
Cc1cc[n]2->[Ru+2]34(<-[n]5ccccc5-c5cccc[n]->35)(<-[n]3ccccc3-c3cccc[n]->43)<-[n]3ccc(CN=C(O)c4cc(O)c...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.17 ± 0.00
Cc1ccnc(-c2cc(C[N](=C(O)c3cc(O)c4c(c3)C(=O)c3cccc(O)c3C4=O)->[Ru+2]3<-[n]4ccccc4-c4cccc[n]->34)ccn2)...
#2
0.79 ± 0.13
Cc1cc[n]2->[Ru+2]3<-[N](Cc4cc[n]->3c(-c2c1)c4)=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
#2
0.00 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccccc3-c3ccccn3)<-[n]3ccc(CN=C(O)c4cc(O)c5c(c4)C(=O)c4cccc(O)c4C5=O)cc3-c2c1
#2
0.00 ± 0.01
Cc1cc[n]2->[Ru+]345(<-[cH]6cnc(-c7ccccn7)[cH]->3[cH]->46)(<-[n]3ccccc3-c3cccc[n]->53)<-[n]3ccc(CN=C(...
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1
#3
0.01 ± 0.00
c1ccc(-c2cccc[n]2->[Ru+2]2<-[n]3ccccc3-c3cccc[n]->23)nc1