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Complex #404 — Ru(3) [Ru-cipro]

GT: {"S": 1, "O": 1, "N": 3} → Top-1: {"S": 2, "O": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
2
Candidates
{"S": 1, "O": 1, "N": 3}
Ground Truth
{"S": 2, "O": 1}
Top-1 Prediction
0.333
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
⚠ 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 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#1 TOP-1 0.00 ± 0.00
C[S](C)(=O)->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#2 0.00 ± 0.00
CS(C)=[O]->[Ru+3]
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#3 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc([N]34->[Ru+3]<-[NH](CC3)CC4)c(F)cc2c1=O
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]
#4 0.00 ± 0.00
O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=[O]->[Ru+3]