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Complex #30 — Ru(2) [RAPTA-T,3,4]

GT: {"N": 3, "P": 1} → Top-1: {"P": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
17
Candidates
{"N": 3, "P": 1}
Ground Truth
{"P": 1}
Top-1 Prediction
0.990
Match Score
#1 TOP-1 0.99 ± 0.02
[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#1 TOP-1 0.44 ± 0.38
CC1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234<-[P]12CN3CN(CN(C3)C1)C2
#2 0.02 ± 0.04
C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4
#2 0.35 ± 0.37
CC1=CC=C[CH]2[CH]1[Ru+2]2<-[P]12CN3CN(CN(C3)C1)C2
#3 0.01 ± 0.01
[Ru+2]<-[N]12CN3CN(CP(C3)C1)C2
#3 0.31 ± 0.34
CC1=C[CH]2[CH](C=C1)[Ru+2]2<-[P]12CN3CN(CN(C3)C1)C2
#4 0.00 ± 0.01
C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4
#4 0.21 ± 0.17
C[c]12->[Ru+2]3456(<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62)<-[P]12CN3CN(CN(C3)C1)C2
#5 0.00 ± 0.00
C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4
#5 0.07 ± 0.12
Cc1cc[cH]2->[Ru+]3(<-[cH]1[cH]->32)<-[P]12CN3CN(CN(C3)C1)C2
#6 0.04 ± 0.08
Cc1c[cH]2->[Ru+2]34(<-[cH]1[cH]->3[cH]->42)<-[P]12CN3CN(CN(C3)C1)C2
#7 0.02 ± 0.04
Cc1c[cH]2->[Ru+]3(<-[cH](c1)[cH]->32)<-[P]12CN3CN(CN(C3)C1)C2
#8 0.02 ± 0.03
Cc1ccc[cH]2->[Ru+2](<-[cH]12)<-[P]12CN3CN(CN(C3)C1)C2
#9 0.01 ± 0.02
Cc1cc[cH]2->[Ru+2](<-[cH]2c1)<-[P]12CN3CN(CN(C3)C1)C2
#10 0.00 ± 0.00
Cc1cccc[cH]1->[Ru+2]<-[P]12CN3CN(CN(C3)C1)C2
#11 0.00 ± 0.00
Cc1ccc[cH](->[Ru+2]<-[P]23CN4CN(CN(C4)C2)C3)c1
#12 0.00 ± 0.00
Cc1cc[cH](->[Ru+2]<-[P]23CN4CN(CN(C4)C2)C3)cc1