home← all results complex #98

Complex #98 — Ru(2) [1]

GT: {"O": 1, "N": 2} → Top-1: {"O": 1, "N": 1}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
84
Candidates
{"O": 1, "N": 2}
Ground Truth
{"O": 1, "N": 1}
Top-1 Prediction
0.870
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 0.87 ± 0.27
C(\c1c2ccccc2cc2ccccc12)=[N]1\N=C([O][Ru+]<-1)c1ccccc1
#1 TOP-1 0.63 ± 0.39
C1=C[CH]2[CH]3[CH]4[CH]1[Ru+]2431[O]C(=N/[N]->1=C\c1c2ccccc2cc2ccccc12)c1ccccc1
#2 0.13 ± 0.28
[Ru+][O]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccccc1
#2 0.37 ± 0.37
C1=C[CH]2[CH](C=C1)[Ru+]21[O]C(=N/[N]->1=C\c1c2ccccc2cc2ccccc12)c1ccccc1
#3 0.05 ± 0.11
C1=C[CH]2[Ru+]3[O]/C(=N\N=C/c4c5ccccc5cc5ccccc45)[C]23C=C1
#3 0.27 ± 0.43
C(\c1c2ccccc2cc2ccccc12)=[N]1\N=C([O][Ru+]<-123456<-[cH]1[cH]->2[cH]->3[cH]->4[cH]->5[cH]->61)c1cccc...
#4 0.01 ± 0.01
C(=N\[N]1->[Ru+][O]C=1c1ccccc1)\c1c2ccccc2cc2ccccc12
#4 0.27 ± 0.41
C(\c1c2ccccc2cc2ccccc12)=[N]1\N=C([O][Ru+]<-12<-[cH]1cccc[cH]->21)c1ccccc1
#5 0.00 ± 0.00
[O-]/C(c1ccccc1)=[N]1->[Ru+2]<-[N]/1=C/c1c2ccccc2cc2ccccc12
#5 0.14 ± 0.25
C(\c1c2ccccc2cc2ccccc12)=[N]1\N=C([O][Ru+]<-1234<-[cH]1cc[cH]->2[cH]->3[cH]->41)c1ccccc1
#6 0.00 ± 0.00
[O-]/C(=N\[N](->[Ru+2])=C/c1c2ccccc2cc2ccccc12)c1ccccc1
#6 0.08 ± 0.19
C(\c1c2ccccc2cc2ccccc12)=[N]1\N=C([O][Ru+]<-1<-[cH]1ccccc1)c1ccccc1
#7 0.00 ± 0.00
[Ru+2]<-[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccccc1
#7 0.00 ± 0.00
C(\c1c2ccccc2cc2ccccc12)=[N]1\N=C([O][Ru]<-123<-[cH]1ccc[cH]->2[cH]->31)c1ccccc1
#8 0.00 ± 0.00
[O-]/C(c1ccccc1)=[N](->[Ru+2])\N=C/c1c2ccccc2cc2ccccc12
#9 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c(cc3ccccc13)[CH]1[Ru+2][CH]1C=C2)c1ccccc1
#10 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c(cc3ccccc13)C=C[CH]1[Ru+2][CH]21)c1ccccc1
#11 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2c[c]23->[Ru+2]4567<-[cH]([cH]->4[cH]->5[c]->612)[cH]->73)c1ccccc1
#12 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)[c]12->[Ru+2]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62
#13 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c(cc3ccccc13)=C[CH]1[Ru+2][CH]1C=2)c1ccccc1
#14 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c(cc3ccccc13)[CH]1[CH]3[CH]4[CH]2[Ru+2]134)c1ccccc1
#15 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c3cc4c1C=C[CH]1[CH]4[Ru+2]14[CH](C=C2)[CH]34)c1ccccc1
#16 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c3cc4c1[CH]1[CH](C=C4)[Ru+2]14[CH](C=C2)[CH]34)c1ccccc1
#17 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c3cc4c1[CH]1[CH](C=C4)[Ru+2]14[CH](C=C3)[CH]24)c1ccccc1
#18 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2cc[cH]3->[Ru+2]<-[cH]3c12)c1ccccc1
#19 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)C1=C[CH]2[Ru+2][CH]2C=C1
#20 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2c1cc[cH]1->[Ru+2]<-[cH]21)c1ccccc1
#21 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3c(cc4ccccc24)[CH]2[CH](C=C3)[Ru+2]23[CH]2C=CC1=C[CH]23
#22 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2c1c[cH]1->[Ru+]3<-[cH]2[cH]->31)c1ccccc1
#23 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2c[cH]3->[Ru+]4<-[cH](c12)[cH]->43)c1ccccc1
#24 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3c(cc4ccccc24)[CH]2[CH](C=C3)[Ru+2]23[CH]2C=CC=C1[CH]23
#25 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3c(cc4ccccc24)C=C[CH]2[CH]3[Ru+2]23[CH]2C=CC1=C[CH]23
#26 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)C1=CC=C[CH]2[Ru+2][CH]12
#27 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3c(cc4ccccc24)C=C[CH]2[CH]3[Ru+2]23[CH]2C=CC=C1[CH]23
#28 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1cc[cH]2->[Ru+]3<-[cH]1[cH]->32
#29 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1cc[cH]2->[Ru+2]<-[cH]2c1
#30 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32
#31 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2c1[cH]1->[Ru+2]34<-[cH]2[cH]->3[cH]->41)c1ccccc1
#32 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2c[cH]3->[Ru+2]<-[cH]3cc12)c1ccccc1
#33 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccc[cH]2->[Ru+2]<-[cH]12
#34 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2[cH](->[Ru+2])c2ccccc12)c1ccccc1
#35 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234
#36 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2c[c]23->[Ru+2]<-[c]12cccc3)c1ccccc1
#37 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42
#38 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1cc[cH](->[Ru+2])cc1
#39 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2c[cH](->[Ru+2])ccc12)c1ccccc1
#40 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccc[cH](->[Ru+2])c12)c1ccccc1
#41 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2cc[cH](->[Ru+2])cc12)c1ccccc1
#42 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1ccc[cH](->[Ru+2])c1
#43 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2c1ccc[cH]2->[Ru+2])c1ccccc1
#44 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2[cH]2->[Ru+2]3<-[cH]4ccc2c1[cH]->34)c1ccccc1
#45 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c3ccc[cH]2->[Ru+2]2<-[cH]4ccc(c3)c1[cH]->24)c1ccccc1
#46 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3[cH](->[Ru+2]3<-[cH]4ccc1c[cH]->34)c1ccccc21
#47 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3[cH](->[Ru+2]3<-[cH]4cccc1[cH]->34)c1ccccc21
#48 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccc[cH]3->[Ru+2]4<-[cH]5ccc(cc23)c1[cH]->45)c1ccccc1
#49 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccc[cH]3->[Ru+2]4<-[cH]5ccc1c(cc23)[cH]->45)c1ccccc1
#50 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2[cH]2->[Ru+2]3<-[cH]4cc1c2c[cH]->34)c1ccccc1
#51 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c2cc[cH]2->[Ru+2](<-[cH]4ccc1cc4)<-[cH]32
#52 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2cc[cH]3->[Ru+2]4<-[cH]5cccc(cc2[cH]->43)c15)c1ccccc1
#53 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3cc[cH]4->[Ru+2](<-[cH]5cccc1c5)<-[cH]4c23
#54 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c2cc[cH]2->[Ru+2](<-[cH]4cccc1c4)<-[cH]32
#55 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3cc[cH]4->[Ru+2](<-[cH]5ccc1cc5)<-[cH]4c23
#56 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2ccccc2cc2ccccc12)c1cccc[cH]1->[Ru+2]
#57 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c2ccc[cH]3->[Ru+2]2<-[cH]3ccc1c[cH]->23
#58 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c[cH]3->[Ru+2]4<-[cH]5ccc1c(cc2cc3)[cH]->45)c1ccccc1
#59 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c[cH]3->[Ru+2]4<-[cH]5ccc(cc2cc3)c1[cH]->45)c1ccccc1
#60 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2cc[cH]3->[Ru+2]4<-[cH]5ccc(cc2c3)c1[cH]->45)c1ccccc1
#61 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c[cH]4->[Ru+2](<-[cH]5ccc1cc5)<-[cH]4cc23
#62 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3ccc[cH](->[Ru+2]4<-[cH]5cccc1[cH]->45)c23
#63 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c[cH]3->[Ru+2]4<-[cH]5cccc1c5cc2c[cH]->43)c1ccccc1
#64 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2cc[cH]3->[Ru+2]4<-[cH]5ccc1c(cc2c3)[cH]->45)c1ccccc1
#65 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c2ccc[cH]3->[Ru+2]2<-[cH]3cccc1[cH]->23
#66 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3ccc[cH](->[Ru+2]4<-[cH]5ccc1c[cH]->45)c23
#67 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c[cH]4->[Ru+2](<-[cH]5cccc1c5)<-[cH]4cc23
#68 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c[cH]3->[Ru+2]4<-[cH]5cccc(cc2c[cH]->43)c15)c1ccccc1
#69 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3cc[cH](->[Ru+2]4<-[cH]5ccc1c[cH]->45)cc23
#70 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2c[cH]3->[Ru+2]4<-[cH]5cc(cc2cc3)c1c[cH]->45)c1ccccc1
#71 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c[cH](->[Ru+2]4<-[cH]5ccc1c[cH]->45)ccc23
#72 0.00 ± 0.00
[O-]/C(=N\N=C/c1c2cc[cH]3->[Ru+2]4<-[cH]5cc(cc2c3)c1c[cH]->45)c1ccccc1
#73 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3cc[cH](->[Ru+2]4<-[cH]5cccc1[cH]->45)cc23
#74 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c[cH](->[Ru+2]4<-[cH]5cccc1[cH]->45)ccc23
#75 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c2cc[cH]2->[Ru+2](<-[cH]4ccccc41)<-[cH]32
#76 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3cc[cH]4->[Ru+2](<-[cH]5ccccc51)<-[cH]4c23
#77 0.00 ± 0.00
[O-]/C1=N\N=C/c2c3ccccc3cc3c[cH]4->[Ru+2](<-[cH]5ccccc51)<-[cH]4cc23