← сравнение complex #714 3D Viewer

Complex #714 — Ru(3)

GT: {"O": 1} · Δ = -0.50
{"O": 1}
Ground Truth
0.500
Single-lig
0.000
Sequential
-0.500
Δ Sequential
Single-ligand (v1) — 99 candidates
Pred: {"O": 1}
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
Sequential multi-lig (v2) — 99 candidates
Pred: {"O": 2}
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#2 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O][Ru+2])CC[C@]5(C)[C@H]... 0.162
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#3 C[C@@H]1CC[C@@]2(OC1)O[C@@]13[CH]4[C@]56[C@@H]7CC=C8C[C@@H]([O-])CC[C@]8(C)[C@H]... 0.002
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#4 C[C@@H]1CC[C@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([O-])CC[C@]6(C)[C@H]5CC[C@]4(C... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#5 C[C@@H]1CC[C@]2(OC1)[C@@H](C)[C@H]1[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H]([O-])CC[C@]5... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#6 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H]([O-]->[Ru+3])CC[C@]5(C)[C... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#7 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH](->[Ru+3])=C5C[C@@H]([O-])CC[C@]5... 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#8 Cc1ccc(C(C)C)[cH]2->[Ru+3]<-[cH]12 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#9 Cc1ccc(C(C)C)[cH](->[Ru+3])c1 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#10 C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[CH]5[Ru+3][C]56C[C@@H]([O-])CC[C@]6(... 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#11 Cc1ccc(C(C)C)c[cH]1->[Ru+3] 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000
#12 CC(C)[c]12->[Ru+3]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.000