109
Candidates
{"N": 6}
Ground Truth
{"N": 2}
Top-1 Prediction
0.940
Match Score
#1
TOP-1
0.94 ± 0.04
c1cc2ccc3cccc4c5n[n]6->[Ru+2]<-[n]7ccncc7-c6nc5c(c1)c2c34
#1
TOP-1
0.27 ± 0.42
c1cc2ccc3cccc4c5n[n]6->[Ru+2]7(<-[n]8ccncc8-c6nc5c(c1)c2c34)<-[n]1cccc2ccc3ccc[n]->7c3c21
#1
TOP-1
0.20 ± 0.44
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[n]9ccncc9-c6nc5c(c1)c2c34)(<-[n]1cccc2ccc3ccc[n]->7c3c21)<-[n]1cc...
#2
0.31 ± 0.29
[Ru+2]<-[n]1ccnc(-c2nnc3c4cccc5ccc6cccc(c3n2)c6c54)c1
#2
0.07 ± 0.12
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]3<-[n]4ccncc4-c4nc5c6cccc7ccc8cccc(c5n[n]->34)c8c76)c12
#2
0.14 ± 0.20
C1=Nc2c(ccc3cccnc23)[CH]2[CH]1[Ru+2]213(<-[n]2ccncc2-c2nc4c5cccc6ccc7cccc(c4n[n]->12)c7c65)<-[n]1ccc...
#3
0.17 ± 0.14
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]<-[n]1nc2-c1cnccn1
#3
0.06 ± 0.13
C1=Nc2c(ccc3cccnc23)[CH]2[CH]1[Ru+2]21<-[n]2ccncc2-c2nc3c4cccc5ccc6cccc(c3n[n]->12)c6c54
#3
0.02 ± 0.05
c1cnc2c(c1)ccc1ccc[n](->[Ru+2]34(<-[n]5ccncc5-c5nc6c7cccc8ccc9cccc(c6n[n]->35)c9c87)<-[n]3cccc5ccc6c...
#4
0.15 ± 0.07
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3cncc[n]3->[Ru+2]<-[n]2c41
#4
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[cH]9c%10cccnc%10c%10c(ccc[n]->7%10)[cH]->89)<-[n]7ccncc7-c6nc5c(c...
#4
0.01 ± 0.02
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[cH]9c%10cccnc%10c%10ncccc%10[cH]->79)(<-[n]7ccncc7-c6nc5c(c1)c2c3...
#5
0.12 ± 0.10
c1cc2ccc3cccc4c3c2c(c1)c1c4[n]2->[Ru+2]3<-[n]4ccncc4-c2n[n]->31
#5
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[cH]9cnc%10c(ccc%11ccc[n]->7c%11%10)[cH]->89)<-[n]7ccncc7-c6nc5c(c...
#5
0.01 ± 0.01
c1cc2ccc3cccc4c5n[n]6->[Ru+2]789(<-[cH]%10c%11cccnc%11c%11c(ccc[n]->7%11)[cH]->8%10)(<-[n]7ccncc7-c6...
#6
0.04 ± 0.06
[Ru+2]<-[n]1nc(-c2cnccn2)nc2c3cccc4ccc5cccc(c5c43)c21
#6
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]7(<-[cH]8c9cccnc9c9ncccc9[cH]->78)<-[n]7ccncc7-c6nc5c(c1)c2c34
#6
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]789(<-[cH]%10cnc%11c(ccc%12ccc[n]->7c%12%11)[cH]->8%10)(<-[n]7ccncc7-c6...
#7
0.01 ± 0.01
c1cc2c3c(c1)c1nnc(-c4cnccn4)nc1c1cccc(c13)[CH]1[Ru+2][CH]21
#7
0.00 ± 0.00
c1cnc2c(c1)ccc1c2nc[cH]2->[Ru+2]3(<-[cH]12)<-[n]1ccncc1-c1nc2c4cccc5ccc6cccc(c2n[n]->31)c6c54
#7
0.00 ± 0.00
c1cnc2c(c1)ccc1c2nc[cH]2->[Ru+2]34(<-[cH]12)(<-[n]1ccncc1-c1nc2c5cccc6ccc7cccc(c2n[n]->31)c7c65)<-[n...
#8
0.01 ± 0.01
[Ru+2]<-[n]1nc2c3cccc4ccc5cccc(c2nc1-c1cnccn1)c5c43
#8
0.00 ± 0.00
c1cnc2c(c1)c[cH](->[Ru+2]1<-[n]3ccncc3-c3nc4c5cccc6ccc7cccc(c4n[n]->13)c7c65)c1cccnc21
#8
0.00 ± 0.00
c1cnc2c(c1)ccc1c2ncc[cH]1->[Ru+2]12(<-[n]3ccncc3-c3nc4c5cccc6ccc7cccc(c4n[n]->13)c7c65)<-[n]1cccc3cc...
#9
0.00 ± 0.00
C1=c2c3nc(-c4cnccn4)nnc3c3cccc4ccc(c2c43)[CH]2[Ru+2][CH]12
#9
0.00 ± 0.00
c1cnc2c(c1)ccc1c2ncc[cH]1->[Ru+2]1<-[n]2ccncc2-c2nc3c4cccc5ccc6cccc(c3n[n]->12)c6c54
#9
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]789(<-[cH]%10cc%11c(nc[cH]->7[cH]->8%11)c7ncccc7%10)(<-[n]7ccncc7-c6nc5...
#10
0.00 ± 0.00
c1cc2ccc3cccc4c5nc(-c6c[n]7->[Ru+2]<-[n]6cc7)nnc5c(c1)c2c34
#10
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[cH]9ccnc%10c%11nc[cH]->7[cH]->8c%11ccc%109)<-[n]7ccncc7-c6nc5c(c1...
#10
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]789(<-[cH]%10cnc%11c%12ncccc%12[cH]->7[cH]->8c%11c%10)(<-[n]7ccncc7-c6n...
#11
0.00 ± 0.00
C1=c2c3nnc(-c4cnccn4)nc3c3cccc4ccc(c2c43)[CH]2[Ru+2][CH]12
#11
0.00 ± 0.00
c1cnc2c(c1)ccc1c[cH](->[Ru+2]3<-[n]4ccncc4-c4nc5c6cccc7ccc8cccc(c5n[n]->34)c8c76)cnc12
#11
0.00 ± 0.00
c1cnc2c(c1)c[cH](->[Ru+2]13(<-[n]4ccncc4-c4nc5c6cccc7ccc8cccc(c5n[n]->14)c8c76)<-[n]1cccc4ccc5ccc[n]...
#12
0.00 ± 0.00
c1cc2c3nnc(-c4cnccn4)nc3c3ccc[c]45->[Ru+2]6789<-[cH]([cH]->64)[c]->7(c1)[c]->82[c]->935
#12
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[cH]9cc%10c(nc[cH]->7[cH]->8%10)c7ncccc79)<-[n]7ccncc7-c6nc5c(c1)c...
#12
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]789(<-[cH]%10ccnc%11c%12nc[cH]->7[cH]->8c%12ccc%11%10)(<-[n]7ccncc7-c6n...
#13
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]7<-[n]8cc[n]->7c(-c6nc5c(c1)c2c34)c8
#13
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[cH]9cnc%10c%11ncccc%11[cH]->7[cH]->8c%10c9)<-[n]7ccncc7-c6nc5c(c1...
#13
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]789(<-[cH]%10cnc%11c(ccc%12c%11nc[cH]->7[cH]->8%12)c%10)(<-[n]7ccncc7-c...
#14
0.00 ± 0.00
C1=c2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c2c34)[CH]2[Ru+2][CH]12
#14
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]78(<-[cH]9cnc%10c(ccc%11c%10nc[cH]->7[cH]->8%11)c9)<-[n]7ccncc7-c6nc5c(...
#14
0.00 ± 0.00
c1cnc2c(c1)ccc1c[cH](->[Ru+2]34(<-[n]5ccncc5-c5nc6c7cccc8ccc9cccc(c6n[n]->35)c9c87)<-[n]3cccc5ccc6cc...
#15
0.00 ± 0.00
[Ru+2]<-[n]1c(-c2cnccn2)nnc2c3cccc4ccc5cccc(c5c43)c21
#16
0.00 ± 0.00
C1=c2ccc3cccc4c5nnc(-c6cnccn6)nc5c(c2c34)[CH]2[Ru+2][CH]12
#17
0.00 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nc2-c3cncc[n]3->[Ru+2]<-[n](n2)c41
#18
0.00 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nc2-c3c[n](->[Ru+2]<-[n](n2)c41)ccn3
#19
0.00 ± 0.00
c1cc2c3nnc(-c4cnccn4)nc3c3cccc4c3c2c(c1)[cH]1->[Ru+2]<-[cH]41
#20
0.00 ± 0.00
c1cc2ccc3cccc4c5n[n]6->[Ru+2]<-[n]7ccnc(-c6nc5c(c1)c2c34)c7
#21
0.00 ± 0.00
c1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)[c]21->[Ru+2]<-[c]341
#22
0.00 ± 0.00
c1cc2ccc3ccc[c]45->[Ru+2]<-[c]34c2c(c1)c1nc(-c2cnccn2)nnc15
#23
0.00 ± 0.00
c1cc2ccc3c4c2c(c1)c1nnc(-c2cnccn2)nc1c4[cH]1->[Ru+]2<-[cH]3[cH]->21
#24
0.00 ± 0.00
[Ru+2]<-[n]1ccncc1-c1nnc2c3cccc4ccc5cccc(c2n1)c5c43
#25
0.00 ± 0.00
C1=C(c2nnc3c4cccc5ccc6cccc(c3n2)c6c54)[N]2[CH]3[CH]4[N]1[Ru+2]432
#26
0.00 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3c[n]5->[Ru+2](<-[n]3cc5)<-[n]2c41
#27
0.00 ± 0.00
c1cc2ccc3ccc[c]45->[Ru+2]<-[c]34c2c(c1)c1nnc(-c2cnccn2)nc15
#28
0.00 ± 0.00
c1cc2ccc3c4c2c(c1)c1nc(-c2cnccn2)nnc1c4[cH]1->[Ru+]2<-[cH]3[cH]->21
#29
0.00 ± 0.00
c1cc2ccc3c[cH]4->[Ru+2]<-[cH]4c4c5nc(-c6cnccn6)nnc5c(c1)c2c34
#30
0.00 ± 0.00
c1cc2ccc3c4c(c[cH]5->[Ru+2]<-[cH]35)c3nc(-c5cnccn5)nnc3c(c1)c24
#31
0.00 ± 0.00
c1cc2ccc3c4c(c[cH]5->[Ru+2]<-[cH]35)c3nnc(-c5cnccn5)nc3c(c1)c24
#32
0.00 ± 0.00
c1cc2ccc3c[cH]4->[Ru+2]<-[cH]4c4c5nnc(-c6cnccn6)nc5c(c1)c2c34
#33
0.00 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nc(-c2cnccn2)[n]2->[Ru+2]<-[n]2c41
#34
0.00 ± 0.00
c1cc2cc[c]34->[Ru+2]<-[c]35c(ccc4)c3nc(-c4cnccn4)nnc3c(c1)c25
#35
0.00 ± 0.00
c1cc2cc[c]34->[Ru+2]<-[c]35c(ccc4)c3nnc(-c4cnccn4)nc3c(c1)c25
#36
0.00 ± 0.00
c1cc2ccc3cccc4c3c2c(c1)c1nnc2-c3c[n](->[Ru+2]<-[n]2c41)ccn3
#37
0.00 ± 0.00
c1cc2c3nnc4-c5c[n](->[Ru+2]6<-[cH]7c(c1)c2c1c(cccc1[cH]->67)c3n4)ccn5
#38
0.00 ± 0.00
c1cc2c3nnc4-c5cncc[n]5->[Ru+2]5<-[cH]6c(c1)c2c1c(cccc1[cH]->56)c3n4
#39
0.00 ± 0.00
c1cc2ccc3c[cH]4->[Ru+2]5<-[cH]4c4c6nc(-c7c[n]->5ccn7)nnc6c(c1)c2c34
#40
0.00 ± 0.00
c1cc2ccc3c[cH]4->[Ru+2]5<-[cH]4c4c6nnc(-c7c[n]->5ccn7)nc6c(c1)c2c34
#41
0.00 ± 0.00
c1cc2ccc3c4c5c[cH]6->[Ru+2](<-[cH]36)<-[n]3ccnc(-c6nnc(c(c1)c24)c5n6)c3
#42
0.00 ± 0.00
c1cc2ccc3c4c5c[cH]6->[Ru+2](<-[cH]36)<-[n]3ccnc(-c6nnc5c(n6)c(c1)c24)c3
#43
0.00 ± 0.00
c1cc2ccc3c[cH]4->[Ru+2]5<-[cH]4c4c6nc(-c7cncc[n]->57)nnc6c(c1)c2c34
#44
0.00 ± 0.00
c1cc2ccc3c[cH]4->[Ru+2]5<-[cH]4c4c6nnc(-c7cncc[n]->57)nc6c(c1)c2c34
#45
0.00 ± 0.00
c1cc2ccc3c4c5c[cH]6->[Ru+2](<-[cH]36)<-[n]3ccncc3-c3nnc(c(c1)c24)c5n3
#46
0.00 ± 0.00
c1cc2ccc3c4c5c[cH]6->[Ru+2](<-[cH]36)<-[n]3ccncc3-c3nnc5c(n3)c(c1)c24
#47
0.00 ± 0.00
c1cc2c3nnc(-c4cnccn4)[n]4->[Ru+2]5<-[cH]6c(c1)c2c1c(cccc1[cH]->56)c34
#48
0.00 ± 0.00
c1cc2ccc3c[cH]4->[Ru+2]5<-[cH]4c4c6nnc(-c7cnccn7)[n]->5c6c(c1)c2c34
#49
0.00 ± 0.00
c1cc2ccc3c[cH]4->[Ru+2]5<-[cH]4c4c3c2c(c1)c1nnc(-c2cnccn2)[n]->5c14
#50
0.00 ± 0.00
c1cc2ccc3c4c5c[cH]6->[Ru+2](<-[cH]36)<-[n]3c(-c6cnccn6)nnc5c3c(c1)c24
#51
0.00 ± 0.00
c1cc2ccc3c4c5c[cH]6->[Ru+2](<-[cH]36)<-[n]3c(-c6cnccn6)nnc(c(c1)c24)c53
#52
0.00 ± 0.00
c1cc2c3nnc(-c4cnccn4)nc3c3c4c2c(c1)[cH]1->[Ru+2]2<-[cH]3ccc4[cH]->21
#53
0.00 ± 0.00
c1cc2c3nc(-c4cnccn4)nnc3c3c4c2c(c1)[cH]1->[Ru+2]2<-[cH]3ccc4[cH]->21
#54
0.00 ± 0.00
c1cnc(-c2nnc3c(n2)c2c4c5ccc6c[cH]7->[Ru+2](<-[cH]2cc5)<-[cH]7c3c64)cn1
#55
0.00 ± 0.00
c1cnc(-c2nnc3c(n2)c2c4c5ccc6cc[cH](->[Ru+2]7<-[cH](c5)[cH]->72)c3c64)cn1
#56
0.00 ± 0.00
c1cnc(-c2nnc3c4cc[cH]5->[Ru+2]6<-[cH]7cc8ccc5c4c8c(c3n2)[cH]->67)cn1
#57
0.00 ± 0.00
c1cnc(-c2nnc3c(n2)c2cc[cH]4->[Ru+2]5<-[cH]6cc7ccc4c2c7c3[cH]->56)cn1
#58
0.00 ± 0.00
c1cc2c3nnc(-c4cnccn4)nc3c3c4c5c[cH](->[Ru+2]6<-[cH](c5)[cH]->63)c(c1)c24
#59
0.00 ± 0.00
c1cnc(-c2nnc3c4c[cH]5->[Ru+2]6<-[cH]7ccc8ccc(c4c8c7c3n2)[cH]->65)cn1
#60
0.00 ± 0.00
c1cc2c3nc(-c4cnccn4)nnc3c3c4c5c[cH](->[Ru+2]6<-[cH](c5)[cH]->63)c(c1)c24
#61
0.00 ± 0.00
c1cnc(-c2nnc3c4cc[cH]5->[Ru+2]6<-[cH]7cc(c3n2)c2c4c5ccc2[cH]->67)cn1
#62
0.00 ± 0.00
c1cnc(-c2nnc3c4c[cH]5->[Ru+2]6<-[cH]7ccc(c3n2)c2c4c(ccc27)[cH]->65)cn1
#63
0.00 ± 0.00
c1cnc(-c2nnc3c(n2)c2c[cH]4->[Ru+2]5<-[cH]6ccc7ccc(c2c7c36)[cH]->54)cn1
#64
0.00 ± 0.00
c1cc2c3nnc(-c4cnccn4)nc3c3c[cH]4->[Ru+2]5<-[cH]6cc(c3c2c6c1)[cH]->54
#65
0.00 ± 0.00
c1cc2c3nnc(-c4cnccn4)nc3c3c[cH]4->[Ru+2]5<-[cH]6c(c1)c2c3c(c4)[cH]->56
#66
0.00 ± 0.00
c1cc2c3nc(-c4cnccn4)nnc3c3c[cH]4->[Ru+2]5<-[cH]6cc(c3c2c6c1)[cH]->54
#67
0.00 ± 0.00
c1cc2c3nc(-c4cnccn4)nnc3c3c[cH]4->[Ru+2]5<-[cH]6c(c4)c3c2c(c1)[cH]->56
#68
0.00 ± 0.00
[Ru+2]<-[cH]1ccc2ccc3cccc4c5nnc(-c6cnccn6)nc5c1c2c34
#69
0.00 ± 0.00
[Ru+2]<-[cH]1cc2cccc3c4nc(-c5cnccn5)nnc4c4cccc1c4c23
#70
0.00 ± 0.00
[Ru+2]<-[cH]1cc2cccc3c4nnc(-c5cnccn5)nc4c4cccc1c4c23
#71
0.00 ± 0.00
[Ru+2]<-[cH]1ccc2c3nc(-c4cnccn4)nnc3c3cccc4ccc1c2c43
#72
0.00 ± 0.00
[Ru+2]<-[cH]1ccc2c3nnc(-c4cnccn4)nc3c3cccc4ccc1c2c43
#73
0.00 ± 0.00
c1cnc(-c2nnc3c4c[cH]5->[Ru+2]6<-[cH]7cc8ccc(c5)c4c8c(c3n2)[cH]->67)cn1
#74
0.00 ± 0.00
c1cnc(-c2nnc3c(n2)c2c[cH]4->[Ru+2]5<-[cH]6cc7ccc(c4)c2c7c3[cH]->56)cn1
#75
0.00 ± 0.00
c1cc2c[cH]3->[Ru+2]4<-[cH]5cc3c3c2c(c1)c1nnc(-c2cnccn2)nc1c3[cH]->45
#76
0.00 ± 0.00
c1cc2c[cH]3->[Ru+2]4<-[cH]5cc3c3c2c(c1)c1nc(-c2cnccn2)nnc1c3[cH]->45
#77
0.00 ± 0.00
[Ru+2]<-[cH]1ccc2ccc3cccc4c5nc(-c6cnccn6)nnc5c1c2c34
#78
0.00 ± 0.00
[Ru+2]<-[cH]1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)c2c34
#79
0.00 ± 0.00
c1cnc(-c2nnc3c4c[cH]5->[Ru+2]6<-[cH]7cc(c3n2)c2c4c(ccc2[cH]->67)c5)cn1
#80
0.00 ± 0.00
c1cnc(-c2nnc3c4c[cH]5->[Ru+2]6<-[cH]7cc8ccc(c4c8c(c7)c3n2)[cH]->65)cn1
#81
0.00 ± 0.00
[Ru+2]<-[cH]1cc2ccc3cccc4c5nnc(-c6cnccn6)nc5c(c1)c2c34