← сравнение complex #567 3D Viewer

Complex #567 — Ru(2)

GT: {"O": 1, "N": 3} · Δ = -0.50
{"O": 1, "N": 3}
Ground Truth
0.500
Single-lig
0.000
Sequential
-0.500
Δ Sequential
Single-ligand (v1) — 144 candidates
Pred: {"O": 1, "S": 1}
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
Sequential multi-lig (v2) — 144 candidates
Pred: {"O": 3, "S": 4}
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#2 Cc1c2[O][Ru+]<-[S]=c2ccn1C 0.940
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#3 NC(N)=[S]->[Ru+2] 0.872
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.265
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#5 Cc1c([O][Ru+]<-[S]=C(N)N)c(=S)ccn1C 0.083
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#6 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.036
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#7 Cc1c([O][Ru+])c(=S)ccn1C 0.009
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#8 Cc1c([O-])c(=[S]->[Ru+2])ccn1C 0.001
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#9 NC(=S)[NH2]->[Ru+2] 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#10 Cc1c2[O][Ru+]<-[cH](cn1C)c2=S 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#11 Cc1ccc(C(C)C)[cH](->[Ru+][O]c2c(C)n(C)ccc2=S)c1 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#12 Cc1ccc(C(C)C)c[cH]1->[Ru+][O]c1c(C)n(C)ccc1=S 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#13 Cc1c([O-]->[Ru+2])c(=S)ccn1C 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#14 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#15 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cn(C)c(C)c([O-])c3=S)<-[cH]12 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000
#17 Cc1c([O-])c(=S)[cH](->[Ru+2])cn1C 0.000