home← all results complex #57

Complex #57 — Ru(2) [3]

GT: {"S": 1, "O": 2, "N": 2} → Top-1: {"S": 6, "N": 3}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"S": 1, "O": 2, "N": 2}
Ground Truth
{"S": 6, "N": 3}
Top-1 Prediction
0.273
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 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.99 ± 0.00
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.98 ± 0.03
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1
#1 TOP-1 0.81 ± 0.19
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.88 ± 0.14
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-1(<-[n]1cc([N+](=O)[O-])n(CCO)c1C)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.98 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]
#2 0.14 ± 0.10
CCS1CCS(CC)=[O]->[Ru+2]<-[O]=1
#2 0.51 ± 0.30
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-12<-[OH]CCn1c([N+](=O)[O-])c[n]->2c1C
#2 0.82 ± 0.20
CC[S]1(=O)CC[S](=O)(CC)->[Ru+2]<-12(<-[OH]CCn1c([N+](=O)[O-])c[n]->2c1C)<-[n]1cc([N+](=O)[O-])n(CCO)...
#3 0.62 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#3 0.62 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#3 0.62 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#3 0.62 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#3 0.62 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#3 0.62 ± 0.00
Cc1n(CCO)c([N+](=O)[O-])c[n]1->[Ru+2]<-[n]1cc([N+](=O)[O-])n(CCO)c1C