2
Candidates
{"N": 8}
Ground Truth
{"N": 7}
Top-1 Prediction
0.875
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
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.02 ± 0.00
O=C1c2ccccc2C(=O)[N]12CCCOc1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-25<-[n]2ccccc2-c(c3)[n]->54)cc1
#1
TOP-1
0.98 ± 0.02
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5cccc[n]5->[Ru+2]5<-[n]6ccccc6-c(c3)[n]->54)cc1)c1c(C)cc(C)n1[B-]2...
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#2
0.16 ± 0.11
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)[n]4->[Ru+2]<-[n]5ccccc5-c4c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]4<-[n]5ccccc5-c5cc(-c6ccc(OCCCN7C(=O...
#3
0.00 ± 0.00
CC1=[N+]2C(=C(c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c3c(C)cc(C)n3[B-]2(F)F)[C]2(C)[Ru+2][CH]12