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Complex #645 — Ru(2) [(1)]

GT: {"N": 4, "O": 1, "P": 2} → Top-1: {"N": 8, "P": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
3
Candidates
{"N": 4, "O": 1, "P": 2}
Ground Truth
{"N": 8, "P": 2}
Top-1 Prediction
0.545
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 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#1 TOP-1 0.67 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[n]1cc([N+](=O)[O-])n(CCO)c1C
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#2 0.07 ± 0.00
Cc1cc[n]2->[Ru+2](<-[n]3ccc(C)cc3-c2c1)<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#3 0.04 ± 0.00
Cc1n2CC[OH]->[Ru+2]<-[n]1cc2[N+](=O)[O-]
#4 0.01 ± 0.00
[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#4 0.01 ± 0.00
[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
#4 0.01 ± 0.00
[Ru+2]<-[P](CCCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1