3
Candidates
{"N": 5, "O": 1}
Ground Truth
{"N": 12}
Top-1 Prediction
0.385
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
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
0.20 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)<-[n]1cccc2c5[nH]c(-c6ccccc6[N+](=O)[O-])[n]->3c5c3ccc[n]->...
#1
TOP-1
1.00 ± 0.00
Cc1cc[n]2->[Ru+2]<-[n]3ccc(C)cc3-c2c1
#1
TOP-1
0.25 ± 0.41
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31
#1
TOP-1
0.31 ± 0.38
Cc1cc[n]2->[Ru+2]345(<-[n]6ccc(C)cc6-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c6cc...
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.02 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1cccc2c1c1ncccc1c1[nH]c(-c4ccccc4[N+](=O)[O-])[n]->3c21
#2
0.00 ± 0.00
Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2])c1
#2
0.00 ± 0.00
Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2]2<-[n]3ccc(C)cc3-c3cc(C)cc[n]->23)c1
#2
0.19 ± 0.39
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c5ccc...
#3
0.01 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c4cccc...
#3
0.01 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c4cccc...
#3
0.01 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c4cccc...
#3
0.01 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c4cccc...
#3
0.01 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c4cccc...
#3
0.01 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c4cccc...