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
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.98 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.99 ± 0.01
Brc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Br)c6c45
#1
TOP-1
0.39 ± 0.38
Brc1cc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2cc1Br)c9c45)<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c2c...
#1
TOP-1
0.56 ± 0.47
Brc1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2cc1Br)c%10c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.10 ± 0.00
Brc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Br)c7c45)<-[n]1c2cc(Br)c(Br)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.41 ± 0.15
Brc1cc2c(cc1Br)[n]1->[Ru+2]<-[n]2c2c3cccnc3c3ncccc3c21
#2
0.16 ± 0.36
Brc1cc2nc3c4c(c5ncccc5c3nc2cc1Br)N=C[CH]1[CH]4[Ru+2]12<-[n]1cccc3c4nc5cc(Br)c(Br)cc5nc4c4ccc[n]->2c4...
#2
0.48 ± 0.48
Brc1cc2nc3c4ccc[n]5->[Ru+2]6789%10%11(<-[n]%12cccc(c3nc2cc1Br)c%12c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c...
#3
0.10 ± 0.00
Brc1cc2c(cc1Br)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c1c6[n]->42
#3
0.10 ± 0.00
Brc1cc2c(cc1Br)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c1c6[n]->42
#3
0.10 ± 0.00
Brc1cc2c(cc1Br)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c1c6[n]->42
#3
0.10 ± 0.00
Brc1cc2c(cc1Br)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c1c6[n]->42
#3
0.10 ± 0.00
Brc1cc2c(cc1Br)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c1c6[n]->42
#3
0.10 ± 0.00
Brc1cc2c(cc1Br)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c1c6[n]->42