← сравнение complex #595 3D Viewer

Complex #595 — Ru(2)

GT: {"N": 5, "O": 2} · Δ = +0.33

{"N": 5, "O": 2}

Ground Truth

0.100

Single-lig

0.429

Sequential

+0.329

Δ Sequential

Single-ligand (v1) — 198 candidates

Pred: {"N": 1}

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

Sequential multi-lig (v2) — 198 candidates

Pred: {"N": 3}

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#2 CCOC(=O)c1ccc[n](->[Ru+2])c1 0.995

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#3 [OH][Ru+] 0.950

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#4 [O-][Ru+] 0.764

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#5 O=N[O][Ru+] 0.614

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#6 N1[O][Ru+]<-[O]=1 0.612

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#7 CCOC(=O)c1ccc[n](->[Ru+2]<-[n]2cccc(C(=O)OCC)c2)c1 0.195

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#8 O=N[O][Ru][O]N=O 0.086

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#9 O=[N]([O-])->[Ru+2] 0.011

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#10 CCOC(=O)c1ccc[n](->[Ru+][O]N=O)c1 0.007

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#11 CCOC(=O)c1ccc[n](->[Ru+]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.002

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#12 CCOC(=O)c1cnc[cH]2->[Ru+2]<-[cH]12 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+2])c1cccnc1 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#14 [O-]N=[O]->[Ru+2] 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#15 CCOC(=O)c1ccc[n](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#16 CCOC(=[O]->[Ru+2]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#17 CCOC(=O)C1=CN=C[CH]2[Ru+2][CH]12 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=[O]->[Ru+2]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#19 CC[O](->[Ru+2])C(=O)c1cccnc1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#20 CCOC(=O)c1cnc[cH](->[Ru+2])c1 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+2] 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+2]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000

#23 CCOC(=O)c1cnc[cH](->[Ru+2]2<-[cH]3cncc(C(=O)OCC)[cH]->23)c1 0.000