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
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.11 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#1
TOP-1
0.99 ± 0.01
Clc1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1Cl)c6c45
#1
TOP-1
0.42 ± 0.37
Clc1cc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2cc1Cl)c9c45)<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c2c...
#1
TOP-1
0.55 ± 0.45
Clc1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2cc1Cl)c%10c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.08 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1cccc2c3nc4cc(Cl)c(Cl)cc4nc3c3ccc[n]->...
#2
0.44 ± 0.12
Clc1cc2c(cc1Cl)[n]1->[Ru+2]<-[n]2c2c3cccnc3c3ncccc3c21
#2
0.15 ± 0.25
Clc1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1Cl)c7c45)<-[n]1c2cc(Cl)c(Cl)cc2[n]->6c2c3cccnc3c3ncc...
#2
0.48 ± 0.48
Clc1cc2nc3c4ccc[n]5->[Ru+2]6789%10%11(<-[n]%12cccc(c3nc2cc1Cl)c%12c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c...
#3
0.05 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(Cl)c(Cl)cc6[n]->78)<-[n]6cccc(c3nc...
#3
0.05 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(Cl)c(Cl)cc6[n]->78)<-[n]6cccc(c3nc...
#3
0.05 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(Cl)c(Cl)cc6[n]->78)<-[n]6cccc(c3nc...
#3
0.05 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(Cl)c(Cl)cc6[n]->78)<-[n]6cccc(c3nc...
#3
0.05 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(Cl)c(Cl)cc6[n]->78)<-[n]6cccc(c3nc...
#3
0.05 ± 0.00
Clc1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(Cl)c(Cl)cc6[n]->78)<-[n]6cccc(c3nc...