88
Candidates
{"N": 7}
Ground Truth
{"N": 3}
Top-1 Prediction
0.980
Match Score
#1
TOP-1
0.98 ± 0.02
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5cccc[n]5->[Ru+2]5<-[n]6ccccc6-c(c3)[n]->54)cc1)c1c(C)cc(C)n1[B-]2...
#1
TOP-1
0.87 ± 0.22
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]456(<-[n]7ccccc7-c(c2)[n]->43)<-[n]2ccccc2-c2cc(-c3ccc(C4=C7C(C)=CC...
#2
0.16 ± 0.11
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)[n]4->[Ru+2]<-[n]5ccccc5-c4c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#2
0.12 ± 0.26
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]45(<-[n]6ccccc6-c3c2)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#3
0.00 ± 0.00
CC1=[N+]2C(=C(c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c3c(C)cc(C)n3[B-]2(F)F)[C]2(C)[Ru+2][CH]12
#3
0.01 ± 0.01
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc[n]3->[Ru+2]34<-[n]5ccccc5-c5cc(-c6ccc(C7=C8C(C)=CC(C)=[N+]8[B-](F...
#4
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)nc(-c6cccc[n]6->[Ru+2]6[CH]1[C]36C)c5)cc4)c1c(C)cc(C)n1[B-]2(F)F
#4
0.00 ± 0.00
COc1ccc(-c2cc(C3=C[CH]4[CH](C=N3)[Ru+2]435<-[n]4ccccc4-c4cc(-c6ccc(C7=C8C(C)=CC(C)=[N+]8[B-](F)(F)n8...
#5
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2])c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#5
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3nc[cH]4->[Ru+]567(<-[cH]3[cH]->54)<-[n]3ccccc3-c3cc(-c4ccc(C5=C8C(C)=C...
#6
0.00 ± 0.00
CC1=[N+]2C3=C(c4ccc(-c5cc(-c6ccccn6)[n](->[Ru+2]6[CH]1[C]36C)c(-c1ccccn1)c5)cc4)c1c(C)cc(C)n1[B-]2(F...
#6
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]456(<-[cH]7ccnc(-c3c2)[cH]->47)<-[n]2ccccc2-c2cc(-c3ccc(C4=C7C(C...
#7
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)[cH]3->[Ru+2]<-[cH]13)c1c(C)cc(C)n1[B-]2(F...
#7
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4cccc[n]4->[Ru+2]456(<-[cH]1[cH]->42)<-[n]1ccccc1-c1cc(-c2ccc(C4=C7C(C)...
#8
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5cccc[n]5->[Ru+2]<-[n]5ccccc5-c(c3)n4)cc1)c1c(C)cc(C)n1[B-]2(F)F
#8
0.00 ± 0.00
COc1ccc(-c2cc3-c4cccc[n]4->[Ru+2]45(<-[n]6ccccc6-c(c2)n3)<-[n]2ccccc2-c2cc(-c3ccc(C6=C7C(C)=CC(C)=[N...
#9
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)[n](->[Ru+2])c(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#9
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)[cH]2->[Ru+2]34(<-[cH]12)<-[n]1ccccc1-c1cc(-c2ccc(C5=C6C(C)=...
#10
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5cccc[n]5->[Ru+2]5<-[cH]1[cH]->53)c4)c1c(C)cc(C)n1[B-...
#10
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n](->[Ru+2]34<-[n]5ccccc5-c5cc(-c6ccc(C7=C8C(C)=CC(C)=[N+]8[B-](F)(F)n8c(C)...
#11
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ncc[cH]5->[Ru+2]<-[cH]45)c3)cc1)c1c(C)cc(C)n1[B-]2(F...
#11
0.00 ± 0.00
COc1ccc(-c2cc3-c4ncc[cH]5->[Ru+2]67(<-[cH]45)(<-[n]4ccccc4-c(c2)n3)<-[n]2ccccc2-c2cc(-c3ccc(C4=C5C(C...
#12
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4c[cH]5->[Ru+2]<-[cH]5cn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F...
#12
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3ncc[cH]4->[Ru+2]56(<-[cH]34)<-[n]3ccccc3-c3cc(-c4ccc(C7=C8C(C)=CC(C)=[...
#13
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4nc[cH]5->[Ru+]6<-[cH]4[cH]->65)c3)cc1)c1c(C)cc(C)n1[...
#13
0.00 ± 0.00
COc1ccc(-c2cc3-c4c[cH]5->[Ru+2]67(<-[cH]5cn4)(<-[n]4ccccc4-c(c2)n3)<-[n]2ccccc2-c2cc(-c3ccc(C4=C5C(C...
#14
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(C4=C[CH]5[Ru+2][CH]5C=N4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#14
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)[n]3->[Ru+2]456(<-[cH]7cnc(-c3c2)c[cH]->47)<-[n]2ccccc2-c2cc(-c3ccc(C4=C7C(C...
#15
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)[n](->[Ru+2]5<-[cH]1[cH]->53)c(-c1ccccn1)c4)c1c(C)cc(C)n1[...
#15
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)[n](->[Ru+2]456(<-[cH]1[cH]->42)<-[n]1ccccc1-c1cc(-c2ccc(C4=C7C(C)=CC(C)=[N+...
#16
0.00 ± 0.00
CC1=[CH](->[Ru+2])C(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#16
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3c[cH]4->[Ru+2]56(<-[cH]4cn3)<-[n]3ccccc3-c3cc(-c4ccc(C7=C8C(C)=CC(C)=[...
#17
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)[n]4->[Ru+2]5<-[cH]6ccnc(-c4c3)[cH]->56)cc1)c1c(C)cc(C)n1[...
#17
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4ccccn4)[cH]3->[Ru+2]345(<-[cH]1[cH]->32)<-[n]1ccccc1-c1cc(-c2ccc(C3=C6...
#18
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5c[cH]6->[Ru+2](<-[cH]6cn5)<-[n]5ccccc5-c(c3)n4)cc1)c1c(C)cc(C)n1[...
#18
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc3-c4ncc[cH]5->[Ru+2]67(<-[cH]23)(<-[cH]45)<-[n]2ccccc2-c2cc(-c3ccc(C4=C5C(...
#19
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5ncc[cH]6->[Ru+2](<-[cH]56)<-[n]5ccccc5-c(c3)n4)cc1)c1c(C)cc(C)n1[...
#19
0.00 ± 0.00
COc1ccc(-c2cc3-c4ncc[cH]5->[Ru+2]67(<-[cH]2c(-c2ccccn2)n3)(<-[cH]45)<-[n]2ccccc2-c2cc(-c3ccc(C4=C5C(...
#20
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)[n]4->[Ru+2]5<-[cH]6cnc(-c4c3)c[cH]->56)cc1)c1c(C)cc(C)n1[...
#20
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)[cH]2->[Ru+2]23<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]7[B...
#21
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C1c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)[cH]4->[Ru+2](<-[cH]5c(C)c1n(c5C)[B-]2(F)F...
#21
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4ncc[cH]5->[Ru+2]67(<-[cH]2c1)(<-[cH]45)<-[n]1ccccc1-c1cc(-c2ccc(C4=C5C...
#22
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5c[cH]6->[Ru+2](<-[cH]1c3)<-[cH]6cn5)c4)c1c(C)cc(C)n1...
#22
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4ncc[cH]5->[Ru+2]67(<-[cH]1c2)(<-[cH]45)<-[n]1ccccc1-c1cc(-c2ccc(C4=C5C...
#23
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C1c3ccc(-c4cc(-c5ccccn5)nc(-c5c[cH]6->[Ru+2](<-[cH]7c(C)c1n(c7C)[B-]2(F)F)<-[cH]6c...
#23
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)[cH](->[Ru+2]23<-[n]4ccccc4-c4cc(-c5ccc(C6=C7C(C)=CC(C)=[N+]...
#24
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5cc[cH](->[Ru+2]6<-[cH]1[cH]->63)cn5)c4)c1c(C)cc(C)n1...
#24
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4nccc[cH]4->[Ru+2]456(<-[cH]1[cH]->42)<-[n]1ccccc1-c1cc(-c2ccc(C4=C7C(C...
#25
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5c[cH]6->[Ru+2](<-[cH]3c1)<-[cH]6cn5)c4)c1c(C)cc(C)n1...
#25
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc3-c4c[cH]5->[Ru+2]67(<-[cH]23)(<-[cH]5cn4)<-[n]2ccccc2-c2cc(-c3ccc(C4=C5C(...
#26
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c[cH]1->[Ru+2])c1c(C)cc(C)n1[B-]2(F)F
#26
0.00 ± 0.00
COc1ccc(-c2cc3-c4c[cH]5->[Ru+2]67(<-[cH]2c(-c2ccccn2)n3)(<-[cH]5cn4)<-[n]2ccccc2-c2cc(-c3ccc(C4=C5C(...
#27
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5ncc[cH]6->[Ru+2](<-[cH]1c3)<-[cH]56)c4)c1c(C)cc(C)n1...
#27
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c[cH]1->[Ru+2]12<-[n]3ccccc3-c3cc(-c4ccc(C5=C6C(C)=CC(C)=[N+...
#28
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C1c3ccc(-c4cc(-c5ccccn5)nc(-c5ncc[cH]6->[Ru+2](<-[cH]7c(C)c1n(c7C)[B-]2(F)F)<-[cH]...
#28
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3nccc[cH]3->[Ru+2]34<-[n]5ccccc5-c5cc(-c6ccc(C7=C8C(C)=CC(C)=[N+]8[B-](...
#29
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5ncc[cH]6->[Ru+2](<-[cH]3c1)<-[cH]56)c4)c1c(C)cc(C)n1...
#29
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4c[cH]5->[Ru+2]67(<-[cH]1c2)(<-[cH]5cn4)<-[n]1ccccc1-c1cc(-c2ccc(C4=C5C...
#30
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5c[cH](->[Ru+2]6<-[cH]1[cH]->63)ccn5)c4)c1c(C)cc(C)n1...
#30
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4c[cH]5->[Ru+2]67(<-[cH]2c1)(<-[cH]5cn4)<-[n]1ccccc1-c1cc(-c2ccc(C4=C5C...
#31
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)[cH](->[Ru+2])c1)c1c(C)cc(C)n1[B-]2(F)F
#31
0.00 ± 0.00
COc1ccc(-c2cc3-c4nccc[cH]4->[Ru+2]456(<-[cH]7ccnc(-c(c2)n3)[cH]->47)<-[n]2ccccc2-c2cc(-c3ccc(C4=C7C(...
#32
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4cc[cH](->[Ru+2])cn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#32
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4cc[cH](->[Ru+2]567(<-[cH]1[cH]->52)<-[n]1ccccc1-c1cc(-c2ccc(C5=C8C(C)=...
#33
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)[cH](->[Ru+2])c(C)n1[B-]2(F)F
#33
0.00 ± 0.00
COc1ccc(-c2cc3-c4c[cH]5->[Ru+2]67(<-[cH]8cccnc8-c(c2)n3)(<-[cH]5cn4)<-[n]2ccccc2-c2cc(-c3ccc(C4=C5C(...
#34
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5nccc[cH]5->[Ru+2]5<-[cH]1[cH]->53)c4)c1c(C)cc(C)n1[B...
#34
0.00 ± 0.00
COc1ccc(-c2cc3-c4cc[cH](->[Ru+2]567(<-[cH]8ccnc(-c(c2)n3)[cH]->58)<-[n]2ccccc2-c2cc(-c3ccc(C5=C8C(C)...
#35
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc3-c4cc(-c5ccccn5)nc(-c5ccccn5)[cH]4->[Ru+2]4<-[cH]1[cH]->43)c1c(C)cc(C)n1[B...
#35
0.00 ± 0.00
COc1ccc2-c3cc(-c4ccccn4)nc(-c4c[cH](->[Ru+2]567(<-[cH]1[cH]->52)<-[n]1ccccc1-c1cc(-c2ccc(C5=C8C(C)=C...
#36
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5cc[cH](->[Ru+2]6<-[cH]7cnc(-c(c3)n4)c[cH]->67)cn5)cc1)c1c(C)cc(C)...
#36
0.00 ± 0.00
COc1ccc(-c2cc3-c4cc[cH](->[Ru+2]567(<-[cH]8cnc(-c(c2)n3)c[cH]->58)<-[n]2ccccc2-c2cc(-c3ccc(C5=C8C(C)...
#37
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4nccc[cH]4->[Ru+2])c3)cc1)c1c(C)cc(C)n1[B-]2(F)F
#37
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3cc[cH](->[Ru+2]45<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)...
#38
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc4-c5ncc[cH]6->[Ru+2](<-[cH]34)<-[cH]56)cc1)c1c(C)cc(C)n1...
#38
0.00 ± 0.00
COc1ccc(-c2cc3-c4c[cH](->[Ru+2]567(<-[cH]8ccnc(-c(c2)n3)[cH]->58)<-[n]2ccccc2-c2cc(-c3ccc(C5=C8C(C)=...
#39
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5cc[cH](->[Ru+2]6<-[cH]7ccnc(-c(c3)n4)[cH]->67)cn5)cc1)c1c(C)cc(C)...
#39
0.00 ± 0.00
COc1ccc(-c2cc3-c4c[cH](->[Ru+2]567(<-[cH]8cnc(-c(c2)n3)c[cH]->58)<-[n]2ccccc2-c2cc(-c3ccc(C5=C8C(C)=...
#40
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5c[cH](->[Ru+2]6<-[cH]7cnc(-c(c3)n4)c[cH]->67)ccn5)cc1)c1c(C)cc(C)...
#40
0.00 ± 0.00
COc1ccc(-c2cc(-c3ccccn3)nc(-c3c[cH](->[Ru+2]45<-[n]6ccccc6-c6cc(-c7ccc(C8=C9C(C)=CC(C)=[N+]9[B-](F)(...
#41
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)[cH]3->[Ru+2])cc1)c1c(C)cc(C)n1[B-]2(F)F
#42
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc4-c5c[cH]6->[Ru+2](<-[cH]34)<-[cH]6cn5)cc1)c1c(C)cc(C)n1...
#43
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5c[cH]6->[Ru+2](<-[cH]3c(-c3ccccn3)n4)<-[cH]6cn5)cc1)c1c(C)cc(C)n1...
#44
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5c[cH](->[Ru+2]6<-[cH]7ccnc(-c(c3)n4)[cH]->67)ccn5)cc1)c1c(C)cc(C)...
#45
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5c[cH]6->[Ru+2](<-[cH]7cccnc7-c(c3)n4)<-[cH]6cn5)cc1)c1c(C)cc(C)n1...
#46
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5ncc[cH]6->[Ru+2](<-[cH]3c(-c3ccccn3)n4)<-[cH]56)cc1)c1c(C)cc(C)n1...
#47
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc4-c5nccc[cH]5->[Ru+2]5<-[cH]6ccnc(-c(c3)n4)[cH]->56)cc1)c1c(C)cc(C)n1...
#48
0.00 ± 0.00
CC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4c[cH](->[Ru+2])ccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F