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
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.09 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2cc1I)c7c45)<-[n]1cccc2c3nc4cc(I)c(I)cc4nc3c3ccc[n]->6c3c...
#1
TOP-1
0.99 ± 0.01
Ic1cc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2cc1I)c6c45
#1
TOP-1
0.40 ± 0.36
Ic1cc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2cc1I)c9c45)<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c2cc(...
#1
TOP-1
0.58 ± 0.46
Ic1cc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2cc1I)c%10c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6cc(I)c(I)cc6[n]->78)<-[n]6cccc(c3nc2cc...
#2
0.46 ± 0.12
Ic1cc2c(cc1I)[n]1->[Ru+2]<-[n]2c2c3cccnc3c3ncccc3c21
#2
0.17 ± 0.37
Ic1cc2nc3c4c(c5ncccc5c3nc2cc1I)N=C[CH]1[CH]4[Ru+2]12<-[n]1cccc3c4nc5cc(I)c(I)cc5nc4c4ccc[n]->2c4c31
#2
0.48 ± 0.44
Ic1cc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2cc1I)c9c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c2cc...
#3
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc(c8c45)c3[n]->6c2cc1I)<-[n]1c2cc(I)c(I)cc2[n]->7c2c3cccnc3c3n...
#3
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc(c8c45)c3[n]->6c2cc1I)<-[n]1c2cc(I)c(I)cc2[n]->7c2c3cccnc3c3n...
#3
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc(c8c45)c3[n]->6c2cc1I)<-[n]1c2cc(I)c(I)cc2[n]->7c2c3cccnc3c3n...
#3
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc(c8c45)c3[n]->6c2cc1I)<-[n]1c2cc(I)c(I)cc2[n]->7c2c3cccnc3c3n...
#3
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc(c8c45)c3[n]->6c2cc1I)<-[n]1c2cc(I)c(I)cc2[n]->7c2c3cccnc3c3n...
#3
0.04 ± 0.00
Ic1cc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc(c8c45)c3[n]->6c2cc1I)<-[n]1c2cc(I)c(I)cc2[n]->7c2c3cccnc3c3n...