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Complex #286 — Ru(2) [Ru11]

GT: {"O": 1} → Top-1: {"O": 1, "S": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
14
Candidates
{"O": 1}
Ground Truth
{"O": 1, "S": 1}
Top-1 Prediction
0.750
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.75 ± 0.35
CCSC1C=C([O][Ru+]<-[S]=1)c1ccc(OC)cc1
#1 TOP-1 0.28 ± 0.40
CCSC1C=C([O][Ru+]23456(<-[S]=1)<-[cH]1[cH]->2[c]->3(C(C)C)[cH]->4[cH]->5[c]->61C)c1ccc(OC)cc1
#2 0.00 ± 0.01
CCSC(=S)/C=C(\[O][Ru+])c1ccc(OC)cc1
#2 0.13 ± 0.16
CCSC1C=C([O][Ru+]2(<-[S]=1)<-[cH]1c(C)ccc(C(C)C)[cH]->21)c1ccc(OC)cc1
#3 0.00 ± 0.00
CCSC(=S)C=C([O][Ru+])c1ccc(OC)cc1
#3 0.01 ± 0.02
CCSC1C=C([O][Ru+](<-[S]=1)<-[cH]1cc(C)ccc1C(C)C)c1ccc(OC)cc1
#4 0.00 ± 0.00
CCSC(C=C([O-])c1ccc(OC)cc1)=[S]->[Ru+2]
#4 0.01 ± 0.02
CCSC1C=C([O][Ru+](<-[S]=1)<-[cH]1cc(C(C)C)ccc1C)c1ccc(OC)cc1
#5 0.00 ± 0.00
CCSC(=S)C=C([O-]->[Ru+2])c1ccc(OC)cc1
#6 0.00 ± 0.00
CC[S](->[Ru+2])C(=S)C=C([O-])c1ccc(OC)cc1
#7 0.00 ± 0.00
CCSC(=S)C=C([O-])c1ccc(OC)[cH]2->[Ru+2]<-[cH]12
#8 0.00 ± 0.00
CCSC(=S)[CH](->[Ru+2])=C([O-])c1ccc(OC)cc1
#9 0.00 ± 0.00
CCSC(=S)C=C([O-])c1ccc(OC)c[cH]1->[Ru+2]
#10 0.00 ± 0.00
CCSC(=S)C=C([O-])c1ccc(OC)[cH](->[Ru+2])c1