57
Candidates
{"N": 6}
Ground Truth
{"N": 2}
Top-1 Prediction
0.960
Match Score
#1
TOP-1
0.96 ± 0.05
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]<-[n]4cccc1c4c23
#1
TOP-1
0.14 ± 0.28
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7ccc[n]->4c7c65)<-[n]4cccc1c4c23
#1
TOP-1
0.17 ± 0.37
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[n]6cccc7ccc8ccc[n]->4c8c76)(<-[n]4cccc6ccc7ccc[n]->5...
#2
0.16 ± 0.17
O=c1n2CCCCCNc3cc4ccc[n]5->[Ru+2](<-[n]1c(O)c(F)c2)<-[n]1cccc3c1c45
#2
0.06 ± 0.14
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc1c5c23)[CH]1C=Nc2c(ccc3cccnc23)[CH]14
#2
0.03 ± 0.06
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[n]6cccc7ccc8ccc[n]->4c8c76)(<-[n]4cccc1c4c23)[CH]1C=...
#3
0.02 ± 0.01
O=c1n2CCCCCNc3cc4ccc[n](->[Ru+2]<-[n]1c(O)c(F)c2)c4c1ncccc31
#3
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2](<-[n]4cccc5ccc6cccnc6c54)<-[n]4cccc1c4c23
#3
0.00 ± 0.01
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[n]5cccc6ccc7cccnc7c65)(<-[n]5cccc6ccc7ccc[n]->4c7c65)...
#4
0.01 ± 0.01
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1ccc[n]2->[Ru+2]
#4
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6c7cccnc7c7c(ccc[n]->47)[cH]->56)<-[n]4cccc1c4c23
#4
0.00 ± 0.01
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6c7cccnc7c7ncccc7[cH]->46)(<-[n]4cccc6ccc7ccc[n]-...
#5
0.01 ± 0.01
O=c1n2CCCCCNc3cc4cccnc4c4c3ccc[n]4->[Ru+2]<-[n]1c(O)c(F)c2
#5
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cnc7c(ccc8ccc[n]->4c87)[cH]->56)<-[n]4cccc1c4c23
#5
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7c8cccnc8c8c(ccc[n]->48)[cH]->57)(<-[n]4cccc5ccc...
#6
0.01 ± 0.01
O=c1n(CCCCCNc2cc3cccnc3c3ncccc23)cc(F)c(O)[n]1->[Ru+2]
#6
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5c6cccnc6c6ncccc6[cH]->45)<-[n]4cccc1c4c23
#6
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7cnc8c(ccc9ccc[n]->4c98)[cH]->57)(<-[n]4cccc5ccc...
#7
0.01 ± 0.01
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n](->[Ru+2])c2c2ncccc12
#7
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5cnc6c7ncccc7ccc6[cH]->45)<-[n]4cccc1c4c23
#7
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cnc7c8ncccc8ccc7[cH]->46)(<-[n]4cccc6ccc7ccc[n]-...
#8
0.00 ± 0.01
Oc1c(F)cn(CCCCCNc2cc3cccnc3c3ncccc23)c2=[O]->[Ru+2]<-[n]12
#8
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2](<-[cH]4cc5cccnc5c5ncccc54)<-[n]4cccc1c4c23
#8
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7cc8c(nc[cH]->4[cH]->58)c4ncccc47)(<-[n]4cccc5cc...
#9
0.00 ± 0.00
Oc1nc(=[O]->[Ru+2])n(CCCCCNc2cc3cccnc3c3ncccc23)cc1F
#9
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2](<-[cH]4ccnc5c6ncccc6ccc54)<-[n]4cccc1c4c23
#9
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7cnc8c9ncccc9[cH]->4[cH]->5c8c7)(<-[n]4cccc5ccc7...
#10
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCC[NH](->[Ru+2])c1cc2cccnc2c2ncccc12
#10
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cc7c(nc[cH]->4[cH]->57)c4ncccc46)<-[n]4cccc1c4c2...
#10
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5ccnc6c7ncccc7ccc65)(<-[n]5cccc6ccc7ccc[n]->4c7c65...
#11
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2c1[CH]1[Ru+2][CH]1C=N2
#11
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2](<-[cH]4cnc5c(ccc6cccnc65)c4)<-[n]4cccc1c4c23
#11
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7ccnc8c9nc[cH]->4[cH]->5c9ccc87)(<-[n]4cccc5ccc7...
#12
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c(c3ncccc13)N=C[CH]1[Ru+2][CH]21
#12
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6ccnc7c8nc[cH]->4[cH]->5c8ccc76)<-[n]4cccc1c4c23
#12
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5cc6cccnc6c6ncccc65)(<-[n]5cccc6ccc7ccc[n]->4c7c65...
#13
0.00 ± 0.00
O=c1n2CCCCCNc3cc4c(nc[cH]5->[Ru+2](<-[cH]45)<-[n]1c(O)c(F)c2)c1ncccc31
#13
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cnc7c8ncccc8[cH]->4[cH]->5c7c6)<-[n]4cccc1c4c23
#13
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]456(<-[cH]7cnc8c(ccc9c8nc[cH]->4[cH]->59)c7)(<-[n]4cccc5cc...
#14
0.00 ± 0.00
O=c1n2CCCCCNc3cc4cccnc4c4nc[cH]5->[Ru+2](<-[cH]5c34)<-[n]1c(O)c(F)c2
#14
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]45(<-[cH]6cnc7c(ccc8c7nc[cH]->4[cH]->58)c6)<-[n]4cccc1c4c2...
#14
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4(<-[cH]5cnc6c(ccc7cccnc76)c5)(<-[n]5cccc6ccc7ccc[n]->4c7c...
#15
0.00 ± 0.00
O=c1nc([OH]->[Ru+2])c(F)cn1CCCCCNc1cc2cccnc2c2ncccc12
#16
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2ccc[n]3->[Ru+2]4<-[cH]5cnc(c1[cH]->45)c23
#17
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c(nc[cH]3->[Ru+2]<-[cH]23)c2ncccc12
#18
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c3nc[cH]4->[Ru+2](<-[cH]24)<-[n]2cccc1c32
#19
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2nc[cH]3->[Ru+2]<-[cH]3c12
#20
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1c2c3nc[cH]4->[Ru+2](<-[cH]1c1cccnc31)<-[cH]24
#21
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1c2cccnc2c2ncccc2[cH]1->[Ru+2]
#22
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c3nc[cH]4->[Ru+2](<-[cH]5ccnc3c15)<-[cH]24
#23
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c3nc[cH]4->[Ru+2](<-[cH]5cnc3c1c5)<-[cH]24
#24
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c3ncc[cH]2->[Ru+2]2<-[cH]4cnc3c1[cH]->24
#25
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c[cH]3->[Ru+2]4<-[cH]5cnc(c2nc3)c1[cH]->45
#26
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c[cH](->[Ru+2])cnc2c2ncccc12
#27
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2nc[cH](->[Ru+2])cc12
#28
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2cccnc2c2ncc[cH](->[Ru+2])c12
#29
0.00 ± 0.00
O=c1nc(O)c(F)cn1CCCCCNc1cc2c(ncc[cH]2->[Ru+2])c2ncccc12