83
Candidates
{"N": 5, "O": 1}
Ground Truth
{"N": 2}
Top-1 Prediction
1.000
Match Score
#1
TOP-1
1.00 ± 0.00
Cc1cc[n]2->[Ru+2]<-[n]3ccc(C)cc3-c2c1
#1
TOP-1
0.25 ± 0.41
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31
#1
TOP-1
0.31 ± 0.38
Cc1cc[n]2->[Ru+2]345(<-[n]6ccc(C)cc6-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c6cc...
#2
0.00 ± 0.00
Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2])c1
#2
0.00 ± 0.00
Cc1ccnc(-c2cc(C)cc[n]2->[Ru+2]2<-[n]3ccc(C)cc3-c3cc(C)cc[n]->23)c1
#2
0.19 ± 0.39
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c5ccc...
#3
0.00 ± 0.00
Cc1ccnc(-c2cc(C)[cH](->[Ru+2])cn2)c1
#3
0.00 ± 0.00
Cc1ccnc(-c2cc(C)[cH](->[Ru+2]3<-[n]4ccc(C)cc4-c4cc(C)cc[n]->34)cn2)c1
#3
0.18 ± 0.36
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c1c1ncccc1c1[n...
#4
0.00 ± 0.00
Cc1ccnc(-c2nccc(C)[cH]2->[Ru+2])c1
#4
0.00 ± 0.00
Cc1ccnc(-c2nccc(C)[cH]2->[Ru+2]2<-[n]3ccc(C)cc3-c3cc(C)cc[n]->23)c1
#4
0.10 ± 0.20
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3nc(-c5ccccc5...
#5
0.05 ± 0.11
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1c(-c2ccccc2[N+](=O)[...
#6
0.03 ± 0.05
Cc1cc[n]2->[Ru+]345([O][N+](=O)c6ccccc6-c6[nH]c7c8ccc[n]->3c8c3ncccc3c7[n]->46)(<-[n]3ccc(C)cc3-c2c1...
#7
0.02 ± 0.04
Cc1cc[n]2->[Ru+]345([O][N+](=O)c6ccccc6-c6[nH]c7c8cccnc8c8c(ccc[n]->38)c7[n]->46)(<-[n]3ccc(C)cc3-c2...
#8
0.01 ± 0.01
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3[nH]c(-c4cccc...
#9
0.00 ± 0.01
Cc1cc[n]2->[Ru+2]3(<-[O-][N+](=O)c4ccccc4-c4nc5c6cccnc6c6ncccc6c5[nH]4)(<-[n]4ccc(C)cc4-c2c1)<-[n]1c...
#10
0.00 ± 0.01
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)[CH]1C=Nc2c(c3[nH]c(-c5cc...
#11
0.00 ± 0.01
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc([N+](=O)[O-])c(-c7[nH]c8c9cccnc9c9ncccc9c8[n]->37)[cH]->46)(<-[n]3cc...
#12
0.00 ± 0.01
Cc1cc[n]2->[Ru+]34([O][N+](=O)c5ccccc5-c5[nH]c6c7cccnc7c7ncccc7c6[n]->35)(<-[n]3ccc(C)cc3-c2c1)<-[n]...
#13
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3456(<-[n]7ccc(C)cc7-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)[CH]1C(c2nc3c7cccnc7c7n...
#14
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)[CH]1C=Nc2c(c3nc(-c5ccccc...
#15
0.00 ± 0.00
Cc1cc[n]2->[Ru+]345([O][N+](=O)c6ccccc6-c6nc7c8ccc[n]->3c8c3c(ccc[n]->43)c7[nH]6)(<-[n]3ccc(C)cc3-c2...
#16
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c8ncccc8c8[nH]c(-c9ccccc9[N+](=O)[O-])[n]->3c8c7[cH]->46)(<-[n]3ccc(...
#17
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc(-c7[nH]c8c9cccnc9c9ncccc9c8[n]->37)c([N+](=O)[O-])[cH]->46)(<-[n]3cc...
#18
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[n]4ccc(C)cc4-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)<-[n]1cccc2c3nc(-c4ccccc4[...
#19
0.00 ± 0.00
Cc1cc[n]2->[Ru+]345(<-[cH]6cc(-c7nc8c9cccnc9c9ncccc9c8[nH]7)c([N+](=O)[O-])[cH]->3[cH]->46)(<-[n]3cc...
#20
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c8ncccc8c8c([nH]c(-c9ccccc9[N+](=O)[O-])[n]->38)c7[cH]->46)(<-[n]3cc...
#21
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)[CH]1C=CC([N+](=O)[O-])=C...
#22
0.00 ± 0.00
Cc1cc[n]2->[Ru+]345(<-[cH]6cc([N+](=O)[O-])c(-c7nc8c9cccnc9c9ncccc9c8[nH]7)[cH]->3[cH]->46)(<-[n]3cc...
#23
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[n]5ccc(C)cc5-c2c1)(<-[n]1ccc(C)cc1-c1cc(C)cc[n]->31)[CH]1C=CC(c2nc3c5cccnc5c5...
#24
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cc(-c7[nH]c8c9cccnc9c9ncccc9c8[n]->37)c([N+](=O)[O-])c[cH]->46)(<-[n]3cc...
#25
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[O]=[N+]([O-])c4ccccc4-c4nc5c6cccnc6c6ncccc6c5[nH]4)(<-[n]4ccc(C)cc4-c2c1)<-[n]...
#26
0.00 ± 0.00
Cc1cc[n]2->[Ru+]34([O][N+](=O)c5ccccc5-c5nc6c7cccnc7c7c(ccc[n]->37)c6[nH]5)(<-[n]3ccc(C)cc3-c2c1)<-[...
#27
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c8[nH]c(-c9ccccc9[N+](=O)[O-])nc8c8ccc[n]->3c87)[cH]->46)(<-[n]3cc...
#28
0.00 ± 0.00
Cc1cc[n]2->[Ru+]34([O][N+](=O)c5ccccc5-c5nc6c7ccc[n]->3c7c3ncccc3c6[nH]5)(<-[n]3ccc(C)cc3-c2c1)<-[n]...
#29
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc(-c7nc8c9cccnc9c9c(ccc[n]->39)c8[nH]7)c([N+](=O)[O-])[cH]->46)(<-[n]3...
#30
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c8nc(-c9ccccc9[N+](=O)[O-])[nH]c8c8ccc[n]->3c87)[cH]->46)(<-[n]3cc...
#31
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[cH]5cnc6c7ncccc7c7nc(-c8ccccc8[N+](=O)[O-])[nH]c7c6[cH]->35)(<-[n]3ccc(C)cc3-...
#32
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cc(-c7nc8c9cccnc9c9c(ccc[n]->39)c8[nH]7)c([N+](=O)[O-])c[cH]->46)(<-[n]3...
#33
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc([N+](=O)[O-])c(-c7nc8c9cccnc9c9c(ccc[n]->39)c8[nH]7)[cH]->46)(<-[n]3...
#34
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[cH]5ccc(-c6nc7c8cccnc8c8ncccc8c7[nH]6)c([N+](=O)[O-])[cH]->35)(<-[n]3ccc(C)cc...
#35
0.00 ± 0.00
Cc1cc[n]2->[Ru+]3([O][N+](=O)c4ccccc4-c4nc5c6cccnc6c6ncccc6c5[nH]4)(<-[n]4ccc(C)cc4-c2c1)<-[n]1ccc(C...
#36
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc(-c7nc8c9ccc[n]->3c9c3ncccc3c8[nH]7)c([N+](=O)[O-])[cH]->46)(<-[n]3cc...
#37
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cc(-c7nc8c9ccc[n]->3c9c3ncccc3c8[nH]7)c([N+](=O)[O-])c[cH]->46)(<-[n]3cc...
#38
0.00 ± 0.00
Cc1cc[n]2->[Ru+]34([O][N+](=[O]->3)c3ccccc3-c3nc5c6cccnc6c6ncccc6c5[nH]3)(<-[n]3ccc(C)cc3-c2c1)<-[n]...
#39
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc([N+](=O)[O-])c(-c7nc8c9ccc[n]->3c9c3ncccc3c8[nH]7)[cH]->46)(<-[n]3cc...
#40
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[cH]5ccc([N+](=O)[O-])c(-c6nc7c8cccnc8c8ncccc8c7[nH]6)[cH]->35)(<-[n]3ccc(C)cc...
#41
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[cH]5cnc6c7ncccc7c7[nH]c(-c8ccccc8[N+](=O)[O-])nc7c6[cH]->35)(<-[n]3ccc(C)cc3-...
#42
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]34(<-[cH]5cc(-c6nc7c8cccnc8c8ncccc8c7[nH]6)c([N+](=O)[O-])c[cH]->35)(<-[n]3ccc(C)cc...
#43
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3456(<-[cH]7c(-c8nc9c%10cccnc%10c%10ncccc%10c9[nH]8)c([N+](=O)[O-])[cH]->3[cH]->4[c...
#44
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4cccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)c4[N+](=O)[O-])(<-[n]4ccc(C)cc4-c2c1)<-...
#45
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cccc(-c7nc8c9cccnc9c9nc[cH]->3[cH]->4c9c8[nH]7)c6[N+](=O)[O-])(<-[n]3ccc...
#46
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cccc([N+](=O)[O-])c6-c6nc7c8cccnc8c8nc[cH]->3[cH]->4c8c7[nH]6)(<-[n]3ccc...
#47
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cccc(-c7nc8c([nH]7)c7cccnc7c7nc[cH]->3[cH]->4c78)c6[N+](=O)[O-])(<-[n]3c...
#48
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8ncccc8c8nc(-c9cc[cH]->3[cH]->4c9[N+](=O)[O-])[nH]c8c76)(<-[n]3ccc...
#49
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6nc(-c8ccccc8[N+](=O)[O-])[nH]c6c6c7nc[cH]->3[cH]->46)(<-[n]3c...
#50
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8nc[cH]->3[cH]->4c8c3nc(-c4ccccc4[N+](=O)[O-])[nH]c3c76)(<-[n]3ccc...
#51
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8ncccc8c8nc(-c9c([N+](=O)[O-])cc[cH]->3[cH]->49)[nH]c8c76)(<-[n]3c...
#52
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4ccnc5c6ncccc6c6nc(-c7ccccc7[N+](=O)[O-])[nH]c6c54)(<-[n]4ccc(C)cc4-c2c1)<-...
#53
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cccc([N+](=O)[O-])c6-c6nc7c([nH]6)c6cccnc6c6nc[cH]->3[cH]->4c67)(<-[n]3c...
#54
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4cccc([N+](=O)[O-])c4-c4nc5c6cccnc6c6ncccc6c5[nH]4)(<-[n]4ccc(C)cc4-c2c1)<-...
#55
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6[nH]c(-c8ccccc8[N+](=O)[O-])nc6c6c7nc[cH]->3[cH]->46)(<-[n]3c...
#56
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8nc[cH]->3[cH]->4c8c3[nH]c(-c4ccccc4[N+](=O)[O-])nc3c76)(<-[n]3ccc...
#57
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc(-c7nc8c9cccnc9c9nc[cH]->3[cH]->4c9c8[nH]7)c([N+](=O)[O-])c6)(<-[n]3c...
#58
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6[nH]c(-c8cc[cH]->3[cH]->4c8[N+](=O)[O-])nc6c3cccnc37)(<-[n]3c...
#59
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4ccnc5c6ncccc6c6[nH]c(-c7ccccc7[N+](=O)[O-])nc6c54)(<-[n]4ccc(C)cc4-c2c1)<-...
#60
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8ncccc8c8nc(-c9c[cH]->3[cH]->4cc9[N+](=O)[O-])[nH]c8c76)(<-[n]3ccc...
#61
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6[nH]c(-c8c([N+](=O)[O-])cc[cH]->3[cH]->48)nc6c3cccnc37)(<-[n]...
#62
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6nc(-c8cc[cH]->3[cH]->4c8[N+](=O)[O-])[nH]c6c3cccnc37)(<-[n]3c...
#63
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8ncccc8c8[nH]c(-c9cc[cH]->3[cH]->4c9[N+](=O)[O-])nc8c76)(<-[n]3ccc...
#64
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc(-c7nc8c([nH]7)c7cccnc7c7nc[cH]->3[cH]->4c78)c([N+](=O)[O-])c6)(<-[n]...
#65
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6nc(-c8c([N+](=O)[O-])cc[cH]->3[cH]->48)[nH]c6c3cccnc37)(<-[n]...
#66
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc([N+](=O)[O-])c(-c7nc8c9cccnc9c9nc[cH]->3[cH]->4c9c8[nH]7)c6)(<-[n]3c...
#67
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8ncccc8c8[nH]c(-c9c([N+](=O)[O-])cc[cH]->3[cH]->49)nc8c76)(<-[n]3c...
#68
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6[nH]c(-c8c[cH]->3[cH]->4cc8[N+](=O)[O-])nc6c3cccnc37)(<-[n]3c...
#69
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccc([N+](=O)[O-])c(-c7nc8c([nH]7)c7cccnc7c7nc[cH]->3[cH]->4c78)c6)(<-[n]...
#70
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6cnc7c(c6)c6nc(-c8c[cH]->3[cH]->4cc8[N+](=O)[O-])[nH]c6c3cccnc37)(<-[n]3c...
#71
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]345(<-[cH]6ccnc7c8ncccc8c8[nH]c(-c9c[cH]->3[cH]->4cc9[N+](=O)[O-])nc8c76)(<-[n]3ccc...
#72
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)c([N+](=O)[O-])c4)(<-[n]4ccc(C)cc4-c2c1)...
#73
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4cnc5c(c4)c4nc(-c6ccccc6[N+](=O)[O-])[nH]c4c4cccnc45)(<-[n]4ccc(C)cc4-c2c1)...
#74
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4cnc5c(c4)c4[nH]c(-c6ccccc6[N+](=O)[O-])nc4c4cccnc45)(<-[n]4ccc(C)cc4-c2c1)...
#75
0.00 ± 0.00
Cc1cc[n]2->[Ru+2]3(<-[cH]4ccc([N+](=O)[O-])c(-c5nc6c7cccnc7c7ncccc7c6[nH]5)c4)(<-[n]4ccc(C)cc4-c2c1)...