← сравнение complex #28 3D Viewer

Complex #28 — Ru(2)

GT: {"N": 3, "P": 1} · Δ = +0.00
{"N": 3, "P": 1}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 54 candidates
Pred: P:1
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.990
#2 CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[P]12CN3CN(CN(... 0.370
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.020
#3 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[P]12CN3CN(CN(C3)C1)C2 0.040
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.010
#4 Cc1ccc(C(C)C)[cH](->[Ru+2]<-[P]23CN4CN(CN(C4)C2)C3)c1 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#5 Cc1ccc(C(C)C)c[cH]1->[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#6 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
Sequential multi-lig (v2) — 54 candidates
Pred: {"P": 2}
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#1 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.000
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.990
#2 CC(C)[c]12->[Ru+2]3456(<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62)<-[P]12CN3CN(CN(... 0.370
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.000
#3 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.020
#3 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]12)<-[P]12CN3CN(CN(C3)C1)C2 0.040
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#4 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.010
#4 Cc1ccc(C(C)C)[cH](->[Ru+2]<-[P]23CN4CN(CN(C4)C2)C3)c1 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#5 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.000
#5 Cc1ccc(C(C)C)c[cH]1->[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.000
#6 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000