3
Candidates
{"N": 6}
Ground Truth
{"N": 12}
Top-1 Prediction
0.500
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
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.13 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2]6(<-[n]1c(O)c(F)c2)(<-[n]1cccc2ccc7ccc[n]->6c7c21)<-[n]1cccc3c1c45
#1
TOP-1
0.96 ± 0.05
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]<-[n]4cccc1c4c23
#1
TOP-1
0.14 ± 0.28
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7ccc[n]->4c7c65)<-[n]4cccc1c4c23
#1
TOP-1
0.17 ± 0.37
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[n]6cccc7ccc8ccc[n]->4c8c76)(<-[n]4cccc6ccc7ccc[n]->5...
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.04 ± 0.00
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]5(<-[n]1c(O)c(F)c2)<-[n]1cccc2ccc6ccc[n]->5c6c21)c4c1ncccc31
#2
0.16 ± 0.17
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2](<-[n]1c(O)c(F)c2)<-[n]1cccc3c1c45
#2
0.06 ± 0.14
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)[CH]1C=Nc2c(ccc3cccnc23)[CH]14
#2
0.03 ± 0.06
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[n]6cccc7ccc8ccc[n]->4c8c76)(<-[n]4cccc1c4c23)[CH]1C=...
#3
0.01 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]
#3
0.01 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]
#3
0.01 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]
#3
0.01 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]
#3
0.01 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]
#3
0.01 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]