← сравнение complex #702 3D Viewer

Complex #702 — Ru(3)

GT: {"N": 5, "O": 3} · Δ = +0.30

{"N": 5, "O": 3}

Ground Truth

0.100

Single-lig

0.400

Sequential

+0.300

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: {"O": 1}

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

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

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

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

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

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

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

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

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

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

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

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

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

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

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

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

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

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

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

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

Sequential multi-lig (v2) — 207 candidates

Pred: {"N": 9, "O": 11}

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#2 [OH][Ru+2] 0.952

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#3 O=N[O][Ru+2] 0.632

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#4 N1[O][Ru+2]<-[O]=1 0.473

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#5 [O-][Ru+2] 0.395

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#6 [N]=[O]->[Ru+3] 0.116

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#7 O=N[O][Ru+][O]N=O 0.099

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#8 CCOC(=O)c1ccc[n](->[Ru+2]([O]N=O)<-[n]2cccc(C(=O)OCC)c2)c1 0.010

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#9 CCOC(=O)c1ccc[n](->[Ru+2][O]N=O)c1 0.008

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#10 CCOC(=O)c1ccc[n](->[Ru+3])c1 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#11 O=[N]([O-])->[Ru+3] 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#12 CCOC(=O)c1ccc[n](->[Ru+3]<-[n]2cccc(C(=O)OCC)c2)c1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#13 CCOC(=[O]->[Ru+3])c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#14 CCOC(=[O]->[Ru+3]<-[O]=C(OCC)c1cccnc1)c1cccnc1 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#15 [O-]N=[O]->[Ru+3] 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#16 CC[O](->[Ru+3])C(=O)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#17 CCOC(=[O]->[Ru+3]<-[O](CC)C(=O)c1cccnc1)c1cccnc1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#18 CCOC(=O)c1cnc[cH](->[Ru+3])c1 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

#19 CCOC(=O)c1cnc[cH]2->[Ru+3]<-[cH]12 0.000

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

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

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

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

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

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

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

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

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

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#21 CCOC(=O)c1cncc[cH]1->[Ru+3] 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#22 CCOC(=O)c1cncc[cH]1->[Ru+3]1<-[cH]2cncc(C(=O)OCC)[cH]->12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

#23 CCOC(=O)C1=CN=C[CH]2[Ru+3][CH]12 0.000

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

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

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

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

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

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

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

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

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