67
Candidates
{"N": 8}
Ground Truth
{"N": 2}
Top-1 Prediction
0.980
Match Score
#1
TOP-1
0.98 ± 0.03
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]<-[n]1c2c34
#1
TOP-1
0.97 ± 0.02
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#1
TOP-1
0.80 ± 0.26
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[n]8cccc9c%10[nH]c(/C=C/c%11ccc(F)cc%11)[n]->5c%10c5ccc[n]->6c5c9...
#2
0.01 ± 0.01
Cc1ccc2ccc3ccc(C)[n](->[Ru+2])c3c2n1
#2
0.09 ± 0.15
Cc1ccc2ccc3cc[c]4(C)->[Ru+2]5(<-[n]6c(C)ccc7ccc8ccc(C)[n]->5c8c76)<-[n]4c3c2n1
#2
0.64 ± 0.44
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[n]7cccc8c9[nH]c(/C=C/c%10ccc(F)cc%10)[n]->5c9c5cccnc5c87)(<-[n]1c...
#3
0.00 ± 0.00
Cc1ccc2c(n1)c1c3ccc(C)[n]1->[Ru+2]1<-[cH]2[cH]->13
#3
0.08 ± 0.09
Cc1ccc2ccc3ccc(C)[n](->[Ru+2]4<-[n]5c(C)ccc6ccc7ccc(C)[n]->4c7c65)c3c2n1
#3
0.64 ± 0.45
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[n]7cccc8c7c7ncccc7c7[nH]c(/C=C/c9ccc(F)cc9)[n]->5c87)(<-[n]1c2c34...
#4
0.00 ± 0.00
Cc1ccc2c(n1)c1nc(C)ccc1[cH]1->[Ru+2]<-[cH]21
#4
0.01 ± 0.01
Cc1ccc2c(n1)c1c3ccc(C)[n]1->[Ru+2]14(<-[cH]2[cH]->13)<-[n]1c(C)ccc2ccc3ccc(C)[n]->4c3c21
#4
0.62 ± 0.38
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[n]8c([CH]5[CH]6c5ccc(F)cc5)[nH]c5c6cccnc6c6ncccc6c58)(<-[n]1c2c3...
#5
0.00 ± 0.00
Cc1ccc2ccc3c(nc(C)[cH]4->[Ru+2]<-[cH]34)c2n1
#5
0.00 ± 0.01
Cc1nc2c3ccc4ccc(C)[n](->[Ru+2]56(<-[cH]1[cH]->53)<-[n]1c(C)ccc3ccc5ccc(C)[n]->6c5c31)c42
#5
0.60 ± 0.45
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]6c(/C=C/c7ccc(F)cc7)[nH]c7c8cccnc8c8ncccc8c76)(<-[n]1c2c34)<-[n]...
#6
0.00 ± 0.00
Cc1nc2c3ccc4ccc(C)[n](->[Ru+2]5<-[cH]1[cH]->53)c42
#6
0.00 ± 0.00
Cc1ccc2c(n1)c1nc(C)ccc1[cH]1->[Ru+2]3(<-[cH]21)<-[n]1c(C)ccc2ccc4ccc(C)[n]->3c4c21
#6
0.54 ± 0.45
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[n]7cccc8c9nc(/C=C/c%10ccc(F)cc%10)[nH]c9c9ccc[n]->5c9c87)(<-[n]1c...
#7
0.00 ± 0.00
Cc1ccc2ccc3cc[c]4(C)->[Ru+2]<-[n]4c3c2n1
#7
0.00 ± 0.00
Cc1ccc2ccc3c(nc(C)[cH]4->[Ru+2]5(<-[cH]34)<-[n]3c(C)ccc4ccc6ccc(C)[n]->5c6c43)c2n1
#7
0.54 ± 0.47
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8c(F)ccc(/C=C/c9[nH]c%10c%11cccnc%11c%11ncccc%11c%10[n]->59)[...
#8
0.00 ± 0.00
Cc1ccc2c(n1)c1nc(C)[cH]3->[Ru+2]4<-[cH]2cc1[cH]->43
#8
0.00 ± 0.00
Cc1ccc2c(n1)c1nc(C)[cH]3->[Ru+2]45(<-[cH]2cc1[cH]->43)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#8
0.44 ± 0.44
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cnc9c%10ncccc%10c%10[nH]c(/C=C/c%11ccc(F)cc%11)[n]->5c%10c9[...
#9
0.00 ± 0.00
Cc1ccc2c(n1)c1nc(C)[cH]3->[Ru+2]4<-[cH]2[cH]->4c1c3
#9
0.00 ± 0.00
Cc1c[cH]2->[Ru+2]34(<-[cH]5c(C)nc6c(n1)c2ccc6[cH]->35)<-[n]1c(C)ccc2ccc3ccc(C)[n]->4c3c21
#9
0.40 ± 0.40
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cnc9c%10ncccc%10c%10c([nH]c(/C=C/c%11ccc(F)cc%11)[n]->5%10)c...
#10
0.00 ± 0.00
Cc1c[cH]2->[Ru+2]3<-[cH]4c(C)nc5c(n1)c2ccc5[cH]->34
#10
0.00 ± 0.00
Cc1ccc2c(n1)c1nc(C)[cH]3->[Ru+2]45(<-[cH]2[cH]->4c1c3)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#10
0.25 ± 0.39
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8c(F)ccc(/C=C/c9nc%10c%11cccnc%11c%11c(ccc[n]->5%11)c%10[nH]9...
#11
0.00 ± 0.00
Cc1nc2c3ccc4c2nc(C)[cH]2->[Ru+2](<-[cH]1c3)<-[cH]42
#11
0.00 ± 0.00
Cc1nc2c3ccc4c2nc(C)[cH]2->[Ru+2]5(<-[cH]1c3)(<-[cH]42)<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21
#11
0.24 ± 0.35
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]6cccc7c8[nH]c(/C=C/c9ccc(F)cc9)nc8c8cccnc8c76)(<-[n]1c2c34)<-[n]...
#12
0.00 ± 0.00
Cc1ccc2c[cH](->[Ru+2])c3ccc(C)nc3c2n1
#12
0.00 ± 0.00
Cc1ccc2ccc3c[cH](->[Ru+2]4<-[n]5c(C)ccc6ccc7ccc(C)[n]->4c7c65)c(C)nc3c2n1
#12
0.22 ± 0.32
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[n]1c2c34)(<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21)[CH]1C=Nc2c(c3[nH]c...
#13
0.00 ± 0.00
Cc1ccc2ccc3c[cH](->[Ru+2])c(C)nc3c2n1
#13
0.00 ± 0.00
Cc1ccc2c[cH](->[Ru+2]3<-[n]4c(C)ccc5ccc6ccc(C)[n]->3c6c54)c3ccc(C)nc3c2n1
#13
0.22 ± 0.33
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[n]1c2c34)(<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21)[CH](c1ccc(F)cc1)[C...
#14
0.00 ± 0.00
Cc1ccc2ccc3c(nc(C)c[cH]3->[Ru+2])c2n1
#14
0.00 ± 0.00
Cc1ccc2ccc3c(nc(C)c[cH]3->[Ru+2]3<-[n]4c(C)ccc5ccc6ccc(C)[n]->3c6c54)c2n1
#14
0.21 ± 0.39
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8c(F)ccc(/C=C/c9nc%10c%11ccc[n]->5c%11c5ncccc5c%10[nH]9)[cH]-...
#15
0.20 ± 0.31
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[cH]7c(F)ccc(/C=C/c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)[cH]->57)(<...
#16
0.14 ± 0.24
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]6cccc7c8nc(/C=C/c9ccc(F)cc9)[nH]c8c8cccnc8c76)(<-[n]1c2c34)<-[n]...
#17
0.14 ± 0.24
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[n]1c2c34)(<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21)[CH]1C=Nc2c(c3nc(/C...
#18
0.08 ± 0.16
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cnc9c(c%10[nH]c(/C=C/c%11ccc(F)cc%11)nc%10c%10ccc[n]->5c%109...
#19
0.07 ± 0.15
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cnc9c(c%10nc(/C=C/c%11ccc(F)cc%11)[nH]c%10c%10ccc[n]->5c%109...
#20
0.07 ± 0.12
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[cH]7cnc8c9ncccc9c9nc(/C=C/c%10ccc(F)cc%10)[nH]c9c8[cH]->57)(<-[n]...
#21
0.02 ± 0.04
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8ccnc9c%10ncccc%10c%10nc(/C=C/c%11ccc(F)[cH]->5[cH]->6%11)[nH...
#22
0.01 ± 0.02
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[cH]7cnc8c9ncccc9c9[nH]c(/C=C/c%10ccc(F)cc%10)nc9c8[cH]->57)(<-[n]...
#23
0.01 ± 0.02
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8ccnc9c%10ncccc%10c%10[nH]c(/C=C/c%11ccc(F)[cH]->5[cH]->6%11)...
#24
0.00 ± 0.01
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cc(F)ccc8/C=C/c8nc9c%10cccnc%10c%10nc[cH]->5[cH]->6c%10c9[nH...
#25
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cc(/C=C/c9nc%10c%11cccnc%11c%11nc[cH]->5[cH]->6c%11c%10[nH]9...
#26
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cc(F)ccc8/C=C/c8nc9c([nH]8)c8cccnc8c8nc[cH]->5[cH]->6c89)(<-...
#27
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cc(/C=C/c9nc%10c([nH]9)c9cccnc9c9nc[cH]->5[cH]->6c9%10)ccc8F...
#28
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8ccnc9c%10nc[cH]->5[cH]->6c%10c5[nH]c(/C=C/c6ccc(F)cc6)nc5c98...
#29
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cnc9c(c8)c8[nH]c(/C=C/c%10ccc(F)[cH]->5[cH]->6%10)nc8c5cccnc...
#30
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8ccnc9c%10nc[cH]->5[cH]->6c%10c5nc(/C=C/c6ccc(F)cc6)[nH]c5c98...
#31
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cnc9c(c8)c8nc(/C=C/c%10ccc(F)[cH]->5[cH]->6%10)[nH]c8c5cccnc...
#32
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6cc(F)ccc6/C=C/c6nc7c8cccnc8c8ncccc8c7[nH]6)(<-[n]1c2c34)<-[n]1...
#33
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cnc9c(c8)c8nc(/C=C/c%10ccc(F)cc%10)[nH]c8c8c9nc[cH]->5[cH]->...
#34
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cnc9c(c8)c8[nH]c(/C=C/c%10ccc(F)cc%10)nc8c8c9nc[cH]->5[cH]->...
#35
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6cc(/C=C/c7nc8c9cccnc9c9ncccc9c8[nH]7)ccc6F)(<-[n]1c2c34)<-[n]1...
#36
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6ccnc7c8ncccc8c8nc(/C=C/c9ccc(F)cc9)[nH]c8c76)(<-[n]1c2c34)<-[n...
#37
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6ccnc7c8ncccc8c8[nH]c(/C=C/c9ccc(F)cc9)nc8c76)(<-[n]1c2c34)<-[n...
#38
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6cnc7c(c6)c6nc(/C=C/c8ccc(F)cc8)[nH]c6c6cccnc67)(<-[n]1c2c34)<-...
#39
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6cnc7c(c6)c6[nH]c(/C=C/c8ccc(F)cc8)nc6c6cccnc67)(<-[n]1c2c34)<-...