3
Candidates
{"N": 6}
Ground Truth
{"N": 18}
Top-1 Prediction
0.333
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
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.15 ± 0.00
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[n]->45)<-[n]1c1ccccc...
#1
TOP-1
0.99 ± 0.01
c1ccc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2c1)c6c45
#1
TOP-1
0.35 ± 0.36
c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2c1)c9c45)<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c2ccccc...
#1
TOP-1
0.54 ± 0.44
c1ccc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2c1)c%10c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[n]->7c...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.06 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc8c7c7ncccc7c7c8[n]->...
#2
0.50 ± 0.17
c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]<-[n]1c1ccccc12
#2
0.22 ± 0.43
c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2c1)c9c45)[CH]1c2nc3c4cccnc4c4ncccc4c3nc2[CH]6[CH]7[CH]...
#2
0.46 ± 0.49
c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10%11(<-[n]%12cccc(c3nc2c1)c%12c45)(<-[n]1cccc2c1c1c(ccc[n]->61)c1c2[...
#3
0.05 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]567<-[n]8cccc9c8c8c(ccc[n]->58)c5c9[n]->6c6ccccc6[n]->75)c4c4ncccc4c3nc2c1
#3
0.05 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]567<-[n]8cccc9c8c8c(ccc[n]->58)c5c9[n]->6c6ccccc6[n]->75)c4c4ncccc4c3nc2c1
#3
0.05 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]567<-[n]8cccc9c8c8c(ccc[n]->58)c5c9[n]->6c6ccccc6[n]->75)c4c4ncccc4c3nc2c1
#3
0.05 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]567<-[n]8cccc9c8c8c(ccc[n]->58)c5c9[n]->6c6ccccc6[n]->75)c4c4ncccc4c3nc2c1
#3
0.05 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]567<-[n]8cccc9c8c8c(ccc[n]->58)c5c9[n]->6c6ccccc6[n]->75)c4c4ncccc4c3nc2c1
#3
0.05 ± 0.00
c1ccc2nc3c4ccc[n](->[Ru+2]567<-[n]8cccc9c8c8c(ccc[n]->58)c5c9[n]->6c6ccccc6[n]->75)c4c4ncccc4c3nc2c1