Compare #768 — BiometalDB

{"N": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 243 candidates

Pred: C:6(eta)

#2 Nc1nc2Nc3ccc[cH](->[Re+]4<-[cH]5ccnc(-c(n1)n2)[cH]->45)c3 0.000

#3 Nc1nc(Nc2ccccc2)nc(-c2ncc[cH]3->[Re+]<-[cH]23)n1 0.000

#4 Nc1nc(NC2=C[CH]3[CH]4[CH]5[CH]2[Re+]345)nc(-c2ccccn2)n1 0.000

#5 Nc1nc(-c2ccccn2)nc(Nc2ccccc2)[n]1->[Re+] 0.000

#6 Nc1nc2Nc3ccc[cH]4->[Re+](<-[cH]34)<-[n]2c(-c2ccccn2)n1 0.000

#7 Nc1nc2Nc3cc[cH]4->[Re+](<-[cH]4c3)<-[n]1c(-c1ccccn1)n2 0.000

#8 Nc1nc(Nc2ccccc2)nc(-c2cccc[n]2->[Re+])n1 0.000

#9 Nc1nc(NC2=C[CH]3[Re+][CH]3C=C2)nc(-c2ccccn2)n1 0.000

#10 Nc1nc2Nc3cc[cH]4->[Re+](<-[cH]5cccnc5-c(n1)n2)<-[cH]4c3 0.000

#11 Nc1nc(Nc2ccccc2)nc(-c2nc[cH]3->[Re]4<-[cH]2[cH]->43)n1 0.000

#12 Nc1nc(Nc2c[cH]3->[Re+]45<-[cH]2[cH]->4[cH]->53)nc(-c2ccccn2)n1 0.000

#13 Nc1nc(Nc2ccccc2)[n]2->[Re+]<-[n]1c2-c1ccccn1 0.000

#14 c1ccc(Nc2nc3[NH2]->[Re+]<-[n]2c(-c2ccccn2)n3)cc1 0.000

#15 Nc1nc(Nc2ccc[cH]3->[Re+]<-[cH]23)nc(-c2ccccn2)n1 0.000

#16 Nc1nc(Nc2cc[cH]3->[Re]4<-[cH]2[cH]->43)nc(-c2ccccn2)n1 0.000

#17 Nc1nc(Nc2ccccc2)nc2-c3c[cH]4->[Re+](<-[cH]4cn3)<-[n]12 0.000

#18 Nc1nc2Nc3ccc[cH]4->[Re+](<-[cH]5ccc(-c(n1)n2)nc5)<-[cH]34 0.000

#19 Nc1nc(Nc2ccccc2)[n](->[Re+])c(-c2ccccn2)n1 0.000

#20 Nc1nc2-c3ncc[cH]4->[Re+](<-[cH]34)<-[n]1c(Nc1ccccc1)n2 0.000

#21 Nc1nc2Nc3ccc[cH]4->[Re+](<-[cH]34)<-[n]1c(-c1ccccn1)n2 0.000

#22 Nc1nc(Nc2ccccc2)[n]2->[Re+]3<-[cH]4ccnc(-c2n1)[cH]->34 0.000

#23 [Re+]<-[NH2]c1nc(Nc2ccccc2)nc(-c2ccccn2)n1 0.000

#24 Nc1nc(Nc2c[cH]3->[Re]4<-[cH](c2)[cH]->43)nc(-c2ccccn2)n1 0.000

#25 Nc1nc(Nc2ccccc2)nc2-c3cccc[n]3->[Re+]<-[n]12 0.000

#26 Nc1nc2Nc3cc[cH]4->[Re+](<-[cH]4c3)<-[n]3ccccc3-c(n1)n2 0.000

#27 Nc1nc(-c2ccccn2)[n]2->[Re+]<-[n]1c2Nc1ccccc1 0.000

#28 Nc1nc2Nc3cccc[cH]3->[Re+]3<-[cH]4cnc(-c(n1)n2)c[cH]->34 0.000

Sequential multi-lig (v2) — 243 candidates

Pred: {"N": 4}