← сравнение complex #719 3D Viewer

Complex #719 — Ru(2)

GT: {"S": 2, "O": 2, "N": 2} · Δ = +0.86
{"S": 2, "O": 2, "N": 2}
Ground Truth
0.000
Single-lig
0.857
Sequential
+0.857
Δ Sequential
Single-ligand (v1) — 171 candidates
Pred: {"N": 2}
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
Sequential multi-lig (v2) — 171 candidates
Pred: {"O": 3, "S": 2, "N": 2}
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#2 O=C(O)c1ccc[n]2->[Ru+2]<-[n]3cccc(C(=O)O)c3-c12 0.999
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#3 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.967
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#4 CS(C)=[O]->[Ru+2] 0.654
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#5 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.615
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#6 C[S](C)(=O)->[Ru+2] 0.039
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#7 O=C(O)c1cccnc1-c1c(C(=O)O)ccc[n]1->[Ru+2] 0.001
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#8 OC1=[O]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#9 O=C1[OH]->[Ru+2]<-[n]2cccc(C(=O)O)c2-c2ncccc21 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#10 O=C(O)c1ccc[n]2->[Ru+2]3<-[cH]4cnc(-c12)c(C(=O)O)[cH]->34 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#11 O=C(O)c1cccnc1-c1c2C(=O)[OH]->[Ru+2]<-[n]1ccc2 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#12 O=C1[OH]->[Ru+2]<-[O]=C(O)c2cccnc2-c2ncccc21 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#13 O=C(O)c1cccnc1-c1ncccc1C(O)=[O]->[Ru+2] 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#14 O=C(O)C1=C(c2ncccc2C(=O)O)N=C[CH]2[Ru+2][CH]12 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#15 O=C(O)c1cccnc1-c1ncccc1C(=O)[OH]->[Ru+2] 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#16 O=C(O)c1cccnc1-c1nc[cH]2->[Ru+2]<-[cH]2c1C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#17 O=C(O)c1c2-c3nc[cH]4->[Ru+2](<-[cH]1ccn2)<-[cH]4c3C(=O)O 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#18 O=C(O)c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c(C(=O)O)[cH]->34 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#19 O=C(O)c1cccnc1-c1nc[cH](->[Ru+2])cc1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000
#20 O=C(O)c1cccnc1-c1ncc[cH](->[Ru+2])c1C(=O)O 0.000