79
Candidates
{"P": 2, "N": 4}
Ground Truth
{"P": 2}
Top-1 Prediction
1.000
Match Score
#1
TOP-1
0.99 ± 0.01
[Ru+2]<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#1
TOP-1
1.00 ± 0.00
c1ccc([P](->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#1
TOP-1
0.95 ± 0.09
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[n]4c(C[O]->2Cc2[nH]c5ccccc5[n]->32)[nH]c2ccccc24)<-[P](c2...
#2
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)cc1
#2
0.00 ± 0.00
C1=C(P(c2ccccc2)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#2
0.78 ± 0.35
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[n]3c(COCc4[nH]c5ccccc5[n]->24)[nH]c2ccccc23)<-[P](c2ccccc2...
#3
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)cc1
#3
0.00 ± 0.00
C1=C[CH]2[CH](C(P(c3ccccc3)c3ccccc3)=C1)[Ru+2]2<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#3
0.16 ± 0.32
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]234(<-[P](c5ccccc5)(c5ccccc5)c5ccccc5)[CH]5c6nc(COCc7nc8ccccc8[...
#4
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)cc1
#4
0.00 ± 0.00
C1=C[CH]2[CH](C=C1P(c1ccccc1)c1ccccc1)[Ru+2]2<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#4
0.06 ± 0.05
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[n]2c(COCc3nc4ccccc4[nH]3)[nH]c3ccccc32)<-[P](c2ccccc2)(c2cc...
#5
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+]4<-[cH](c2)[cH]->43)cc1
#5
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+]4(<-[cH]2[cH]->43)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#5
0.01 ± 0.03
C1=C[CH]2[CH](c3[nH]c(COCc4nc5ccccc5[nH]4)nc31)[Ru+2]2(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)<-[P](c1ccc...
#6
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)cc1
#6
0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=CC=C[CH]4[CH]1[Ru+2]243<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#6
0.01 ± 0.02
C1=C[CH]2[CH]3c4[nH]c(nc41)COCc1nc4c([nH]1)[CH]1[CH](C=C4)[Ru+2]231(<-[P](c1ccccc1)(c1ccccc1)c1ccccc...
#7
0.00 ± 0.00
C1=C[CH]2[Ru+2][CH]2C=C1P(c1ccccc1)c1ccccc1
#7
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH]3->[Ru+2](<-[cH]23)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#7
0.01 ± 0.02
C1=C[CH]2[CH]3c4[nH]c(nc41)COCc1nc4c([nH]1)C=C[CH]1[CH]4[Ru+2]123(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)...
#8
0.00 ± 0.00
C1=C[CH]2[Ru+2][CH]2C(P(c2ccccc2)c2ccccc2)=C1
#8
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+2]45(<-[cH]2[cH]->4[cH]->53)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#8
0.01 ± 0.02
C1=C[CH]2[CH]3c4nc([nH]c41)COCc1nc4c([nH]1)C=C[CH]1[CH]4[Ru+2]213(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)...
#9
0.00 ± 0.00
C1=C(P(c2ccccc2)c2ccccc2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243
#9
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH]3->[Ru+2](<-[cH]3c2)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#9
0.01 ± 0.01
C1=C[CH]2[CH](c3nc(COCc4nc5ccccc5[nH]4)[nH]c31)[Ru+2]2(<-[P](c1ccccc1)(c1ccccc1)c1ccccc1)<-[P](c1ccc...
#10
0.00 ± 0.00
[Ru+2]<-[cH]1ccccc1P(c1ccccc1)c1ccccc1
#10
0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]423<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#10
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5c([nH]c(COCc6nc7ccccc7[nH]6)[n]->25)[cH]->34)<-[P...
#11
0.00 ± 0.00
[Ru+2]<-[cH]1ccc(P(c2ccccc2)c2ccccc2)cc1
#11
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2c[cH]3->[Ru+]4(<-[cH](c2)[cH]->43)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#11
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(COCc6[nH]c7ccccc7[n]->26)[nH]c5[cH]->34)<-[P](...
#12
0.00 ± 0.00
c1ccc(P2c3cccc[cH]3->[Ru+2]3<-[cH]4cccc2[cH]->34)cc1
#12
0.00 ± 0.00
C1=C[CH]2[CH]3C=C1P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234<-[P](c1ccccc1)(c1ccccc1)c1ccccc1
#12
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cc5[nH]c(COCc6nc7ccccc7[nH]6)[n]->2c5c[cH]->34)<-[P](...
#13
0.00 ± 0.00
[Ru+2]<-[cH]1cccc(P(c2ccccc2)c2ccccc2)c1
#13
0.00 ± 0.00
c1ccc(P2c3cccc[cH]3->[Ru+2]3(<-[cH]4cccc2[cH]->34)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#13
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(COCc6[nH]c7ccccc7[n]->26)nc5[cH]->34)<-[P](...
#14
0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=CC=C[CH]4[CH]1[Ru+2]243
#14
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cccc[cH]2->[Ru+2]<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#14
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cc5nc(COCc6[nH]c7ccccc7[n]->26)[nH]c5c[cH]->34)<-[P](...
#15
0.00 ± 0.00
c1ccc(P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)<-[cH]4c3)cc1
#15
0.00 ± 0.00
c1ccc(P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)(<-[cH]4c3)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#15
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]234(<-[cH]5c6nc(COCc7nc8ccccc8[nH]7)[nH]c6[cH]->2[cH]->3[cH]->4...
#16
0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)c3)cc1
#16
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2cc[cH](->[Ru+2]<-[P](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
#16
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[cH]3ccc4nc(COCc5nc6ccccc6[nH]5)[nH]c4[cH]->23)<-[P](c2cccc...
#17
0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)c3)cc1
#17
0.00 ± 0.00
c1ccc(P(c2ccccc2)c2ccc[cH](->[Ru+2]<-[P](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1
#17
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[cH]3ccc4[nH]c(COCc5nc6ccccc6[nH]5)nc4[cH]->23)<-[P](c2cccc...
#18
0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)cc3)cc1
#18
0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4(<-[cH]5cccc2[cH]->45)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)c3)cc1
#18
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+]23(<-[cH]4cc5[nH]c(COCc6nc7ccccc7[nH]6)nc5[cH]->2[cH]->34)<-[P](...
#19
0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)cc3)cc1
#19
0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4(<-[cH]5cccc2[cH]->45)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc3)cc1
#19
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+]23(<-[cH]4cc5nc(COCc6nc7ccccc7[nH]6)[nH]c5[cH]->2[cH]->34)<-[P](...
#20
0.00 ± 0.00
C1=C[CH]2[CH]3C(=C1)P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]423
#20
0.00 ± 0.00
c1ccc(P2c3ccc[cH](->[Ru+2]4(<-[cH]5ccc2c[cH]->45)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)c3)cc1
#20
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[O](Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)<-[P](c2ccccc2)(c2cc...
#21
0.00 ± 0.00
C1=C[CH]2[CH]3C=C1P(c1ccccc1)C1=C[CH]4[CH](C=C1)[Ru+2]234
#21
0.00 ± 0.00
c1ccc(P2c3cc[cH](->[Ru+2]4(<-[cH]5ccc2c[cH]->45)<-[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc3)cc1
#21
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]2(<-[cH]3cc4nc(COCc5nc6ccccc6[nH]5)[nH]c4c[cH]->23)<-[P](c2cccc...
#22
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5nc(COCc6nc7cc[cH]->2[cH]->3c7[nH]6)[nH]c54)<-[P]...
#23
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5nc(COCc6nc7c(cc[cH]->2[cH]->37)[nH]6)[nH]c54)<-[...
#24
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5[nH]c(COCc6nc7cc[cH]->2[cH]->3c7[nH]6)nc54)<-[P]...
#25
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2cccc3[nH]c(COCc4nc5ccccc5[nH]4)nc32)<-[P](c2ccccc2)(c2c...
#26
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5[nH]c(COCc6nc7c(cc[cH]->2[cH]->37)[nH]6)nc54)<-[...
#27
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2cccc3nc(COCc4nc5ccccc5[nH]4)[nH]c32)<-[P](c2ccccc2)(c2c...
#28
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5nc(COCc6nc7c[cH]->2[cH]->3cc7[nH]6)[nH]c54)<-[P]...
#29
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4cccc5[nH]c(COCc6nc7c[cH]->2[cH]->3cc7[nH]6)nc54)<-[P]...
#30
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(COCc6nc7cc[cH]->2[cH]->3c7[nH]6)[nH]c5c4)<-[P]...
#31
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2ccc3nc(COCc4nc5ccccc5[nH]4)[nH]c3c2)<-[P](c2ccccc2)(c2c...
#32
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(COCc6nc7c(cc[cH]->2[cH]->37)[nH]6)[nH]c5c4)<-[...
#33
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(COCc6nc7cc[cH]->2[cH]->3c7[nH]6)nc5c4)<-[P]...
#34
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5nc(COCc6nc7c[cH]->2[cH]->3cc7[nH]6)[nH]c5c4)<-[P]...
#35
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(COCc6nc7c(cc[cH]->2[cH]->37)[nH]6)nc5c4)<-[...
#36
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2](<-[cH]2ccc3[nH]c(COCc4nc5ccccc5[nH]4)nc3c2)<-[P](c2ccccc2)(c2c...
#37
0.00 ± 0.00
c1ccc([P](c2ccccc2)(c2ccccc2)->[Ru+2]23(<-[cH]4ccc5[nH]c(COCc6nc7c[cH]->2[cH]->3cc7[nH]6)nc5c4)<-[P]...