3
Candidates
{"N": 6}
Ground Truth
{"N": 16}
Top-1 Prediction
0.375
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
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.99 ± 0.01
Fc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1F)c6c45
#1
TOP-1
0.41 ± 0.36
Fc1cc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2cc1F)c9c45)<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c2cc(...
#1
TOP-1
0.57 ± 0.45
Fc1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2cc1F)c%10c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.14 ± 0.00
Fc1cc2c(cc1F)[n]1->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3cc(F)c(F)cc3[n]->45)<-[n]2c2c3cccnc3c3n...
#2
0.47 ± 0.12
Fc1cc2c(cc1F)[n]1->[Ru+2]<-[n]2c2c3cccnc3c3ncccc3c21
#2
0.17 ± 0.28
Fc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1F)c7c45)<-[n]1c2cc(F)c(F)cc2[n]->6c2c3cccnc3c3ncccc3c...
#2
0.48 ± 0.48
Fc1cc2nc3c4ccc[n]5->[Ru+2]6789%10%11(<-[n]%12cccc(c3nc2cc1F)c%12c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c...
#3
0.13 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1F)c7c45)<-[n]1c2cc(F)c(F)cc2[n]->6c2c3cccnc3c3ncccc3c...
#3
0.13 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1F)c7c45)<-[n]1c2cc(F)c(F)cc2[n]->6c2c3cccnc3c3ncccc3c...
#3
0.13 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1F)c7c45)<-[n]1c2cc(F)c(F)cc2[n]->6c2c3cccnc3c3ncccc3c...
#3
0.13 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1F)c7c45)<-[n]1c2cc(F)c(F)cc2[n]->6c2c3cccnc3c3ncccc3c...
#3
0.13 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1F)c7c45)<-[n]1c2cc(F)c(F)cc2[n]->6c2c3cccnc3c3ncccc3c...
#3
0.13 ± 0.00
Fc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1F)c7c45)<-[n]1c2cc(F)c(F)cc2[n]->6c2c3cccnc3c3ncccc3c...