50
Candidates
{"N": 7}
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
0.97 ± 0.07
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[N]7=C(c8cccc[n]->58)CC(c5ccc(Cl)cc5)N7)(<-[n]1c2c34)<-[n]1c(C)ccc...
#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
0.34 ± 0.35
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[n]1c2c34)(<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21)<-[n]1cccc[c]->61C1...
#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
0.31 ± 0.40
Cc1ccc2ccc3ccc(C)[n]4->[Ru+]567(<-[cH]8cnc(C9=NNC(c%10ccc(Cl)cc%10)C9)[cH]->5[cH]->68)(<-[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
0.26 ± 0.42
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[n]6ccccc6C6=NNC(c7ccc(Cl)cc7)C6)(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3ccc...
#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
0.25 ± 0.35
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8c(Cl)ccc(C9CC(c%10cccc[n]->5%10)=NN9)[cH]->68)(<-[n]1c2c34)<...
#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
0.13 ± 0.22
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[cH]7c(Cl)ccc(C8CC(c9ccccn9)=NN8)[cH]->57)(<-[n]1c2c34)<-[n]1c(C)c...
#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
0.13 ± 0.22
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[cH]7ccnc(C8=NNC(c9ccc(Cl)cc9)C8)[cH]->57)(<-[n]1c2c34)<-[n]1c(C)c...
#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
0.09 ± 0.09
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[N]6=C(c7ccccn7)CC(c7ccc(Cl)cc7)N6)(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3c...
#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
0.09 ± 0.08
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[n]1c2c34)(<-[n]1c(C)ccc2ccc3ccc(C)[n]->5c3c21)[CH]1C=NC(C2=NNC(c3...
#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
0.03 ± 0.07
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cccnc8C8=NNC(c9ccc(Cl)[cH]->5[cH]->69)C8)(<-[n]1c2c34)<-[n]1...
#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
0.01 ± 0.03
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cc(C9CC(c%10ncc[cH]->5[cH]->6%10)=NN9)ccc8Cl)(<-[n]1c2c34)<-...
#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
0.01 ± 0.02
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cc(Cl)ccc8C8CC(c9ncc[cH]->5[cH]->69)=NN8)(<-[n]1c2c34)<-[n]1...
#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
0.01 ± 0.01
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]56(<-[cH]7cnc(C8=NNC(c9ccc(Cl)cc9)C8)c[cH]->57)(<-[n]1c2c34)<-[n]1c(C)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
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cc(C9CC(c%10c[cH]->5[cH]->6cn%10)=NN9)ccc8Cl)(<-[n]1c2c34)<-...
#15
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6cc(Cl)ccc6C6CC(c7ccccn7)=NN6)(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3cc...
#16
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8cc(Cl)ccc8C8CC(c9c[cH]->5[cH]->6cn9)=NN8)(<-[n]1c2c34)<-[n]1...
#17
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6cc(C7CC(c8ccccn8)=NN7)ccc6Cl)(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3cc...
#18
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6cccnc6C6=NNC(c7ccc(Cl)cc7)C6)(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3cc...
#19
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8ccc(C9=NNC(c%10ccc(Cl)[cH]->5[cH]->6%10)C9)nc8)(<-[n]1c2c34)...
#20
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]567(<-[cH]8ccnc(C9=NNC(c%10ccc(Cl)[cH]->5[cH]->6%10)C9)c8)(<-[n]1c2c34)...
#21
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6ccc(C7=NNC(c8ccc(Cl)cc8)C7)nc6)(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3...
#22
0.00 ± 0.00
Cc1ccc2ccc3ccc(C)[n]4->[Ru+2]5(<-[cH]6ccnc(C7=NNC(c8ccc(Cl)cc8)C7)c6)(<-[n]1c2c34)<-[n]1c(C)ccc2ccc3...