← сравнение complex #532 3D Viewer

Complex #532 — Ru(2)

GT: {"N": 1, "S": 1} · Δ = -0.50
{"N": 1, "S": 1}
Ground Truth
0.500
Single-lig
0.000
Sequential
-0.500
Δ Sequential
Single-ligand (v1) — 108 candidates
Pred: {"S": 2}
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
Sequential multi-lig (v2) — 108 candidates
Pred: {"S": 2}
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#2 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C2[S][Ru+]<-[S]=2)c(C)c1 0.419
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#3 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[S][Ru+])c(C)c1 0.380
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.241
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.111
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#6 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C(=S)[SH-]->[Ru+2])c(C)c1 0.083
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#7 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#8 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)cc3C)=C2C([S-])=[S]->[Ru+2])c(C)c1 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#9 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#10 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#11 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c3C)=C... 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#12 Cc1cc(C)c([N+]2=C(C(=S)[S-])N(c3c(C)cc(C)[cH](->[Ru+2])c3C)CC2)c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000
#13 Cc1cc(C)c(N2CC[N+](c3c(C)cc(C)[cH](->[Ru+2])c3C)=C2C(=S)[S-])c(C)c1 0.000