← сравнение complex #534 3D Viewer

Complex #534 — Ru(2)

GT: {"N": 2} · Δ = -0.50
{"N": 2}
Ground Truth
0.500
Single-lig
0.000
Sequential
-0.500
Δ Sequential
Single-ligand (v1) — 189 candidates
Pred: {"N": 2}
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
Sequential multi-lig (v2) — 189 candidates
Pred: {"N": 2}
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#2 c1ccc2[NH2]->[Ru+]<-[NH2]c2c1 0.979
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#3 c1ccc2[NH2]->[Ru+2]<-[NH2]c2c1 0.948
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#4 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.358
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#5 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.095
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#6 Nc1ccccc1[NH2]->[Ru+2] 0.026
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#7 Nc1cc[cH]2->[Ru+2]<-[cH]2c1N 0.004
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#8 NC1=C(N)[CH]2[Ru+2][CH]2C=C1 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#9 NC1=C(N)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#10 Nc1c(N)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.001
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#11 Nc1c[cH]2->[Ru+]3<-[cH](c1N)[cH]->32 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#12 Nc1c[cH]2->[Ru+2]<-[cH]2cc1N 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3ccc(N)c(N)[cH]->23)c1 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#14 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc(N)c(N)[cH]->12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccc(N)c3N)<-[cH]12 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#16 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#17 Cc1ccc(C(C)C)c[cH]1->[Ru+2] 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#18 Nc1ccc[cH](->[Ru+2])c1N 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#19 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc(N)c(N)c[cH]->23)c1 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#20 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc(N)c(N)c[cH]->12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#21 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc(N)c(N)c3)<-[cH]12 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000
#22 Nc1cc[cH](->[Ru+2])cc1N 0.000