Compare #6725 — BiometalDB

{"N": 3}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 252 candidates

Pred: C:6(eta)

#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Rh+2]2345 0.976

#3 Clc1ccc(C2=[N]3->[Rh+3]<-[n]4c(N3C(c3ccccc3)C2)sc2ccccc24)cc1 0.000

#4 Clc1ccc(C2=[N](->[Rh+3])N(c3nc4ccccc4s3)C(c3ccccc3)C2)cc1 0.000

#5 Clc1ccc(C2=NN(c3sc4ccccc4[n]3->[Rh+3])C(c3ccccc3)C2)cc1 0.000

#6 Clc1ccc(C2=NN(c3nc4c(c[cH]5->[Rh+2]6<-[cH]4[cH]->65)s3)C(c3ccccc3)C2)cc1 0.000

#7 Clc1ccc(C2=NN(c3nc4c[cH]5->[Rh+2]6<-[cH](c4s3)[cH]->65)C(c3ccccc3)C2)cc1 0.000

#8 Clc1ccc(C2=NN(c3nc4ccccc4s3)C(c3c[cH]4->[Rh+2]5<-[cH](c3)[cH]->54)C2)cc1 0.000

#9 Clc1ccc(C2=NN(c3sc4c5cc[cH]6->[Rh+3](<-[cH]46)<-[n]35)C(c3ccccc3)C2)cc1 0.000

#10 Clc1ccc(C2=NN(c3nc4ccccc4s3)C(c3ccc[cH]4->[Rh+3]<-[cH]34)C2)cc1 0.000

#11 Clc1ccc(C2=NN(c3nc4cc[cH](->[Rh+3])cc4s3)C(c3ccccc3)C2)cc1 0.000

#12 Clc1ccc(C2=NN(c3nc4c(ccc[cH]4->[Rh+3])s3)C(c3ccccc3)C2)cc1 0.000

#13 Clc1ccc(C2=NN(c3nc4ccc[cH](->[Rh+3])c4s3)C(c3ccccc3)C2)cc1 0.000

#14 Clc1ccc(C2=NN3c4nc5c(cc[cH]6->[Rh+3](<-[cH]7cccc(C3C2)c7)<-[cH]56)s4)cc1 0.000

#15 Clc1ccc(C2=NN3c4nc5cc[cH]6->[Rh+3](<-[cH]7ccc(C3C2)cc7)<-[cH]6c5s4)cc1 0.000

#16 Clc1ccc2C3=NN(c4nc5cc[cH]6->[Rh+3](<-[cH]2c1)<-[cH]6c5s4)C(c1ccccc1)C3 0.000

#17 Clc1ccc(C2=NN3c4nc5c(ccc[cH]5->[Rh+3]5<-[cH]6ccc(C3C2)c[cH]->56)s4)cc1 0.000

#18 Clc1ccc2C3=NN(c4nc5ccccc5s4)C(c4ccc[cH](->[Rh+3]5<-[cH]1[cH]->52)c4)C3 0.000

#19 Clc1ccc(C2=NN3c4nc5c[cH]6->[Rh+3](<-[cH]7cccc(C3C2)c7)<-[cH]6cc5s4)cc1 0.000

#20 Clc1ccc2C3=NN(c4nc5c[cH]6->[Rh+3](<-[cH]2c1)<-[cH]6cc5s4)C(c1ccccc1)C3 0.000

#21 Clc1ccc2C3=NN(c4nc5c[cH](->[Rh+3]6<-[cH]1[cH]->62)ccc5s4)C(c1ccccc1)C3 0.000

#22 Clc1ccc(C2=NN3c4nc5c[cH]6->[Rh+3](<-[cH]7ccc(C3C2)cc7)<-[cH]6cc5s4)cc1 0.000

#23 Clc1ccc2C3=NN(c4nc5cc[cH]6->[Rh+3](<-[cH]1c2)<-[cH]6c5s4)C(c1ccccc1)C3 0.000

#24 Clc1ccc2C3=NN(c4nc5ccccc5s4)C(c4cccc[cH]4->[Rh+3]4<-[cH]1[cH]->42)C3 0.000

#25 Clc1ccc2C3=NN(c4nc5ccccc5s4)C(c4ccc[cH]5->[Rh+3](<-[cH]1c2)<-[cH]45)C3 0.000

#26 Clc1ccc(C2=NN(c3nc4ccccc4s3)C(c3c[cH]4->[Rh+3]56<-[cH]3[cH]->5[cH]->64)C2)cc1 0.000

#27 Clc1ccc(C2=NN(c3nc4ccccc4s3)C([c]34->[Rh+3]5678<-[cH]([cH]->5[cH]->63)[cH]->7[cH... 0.000

#28 Clc1ccc(C2=NN3c4sc5ccccc5[n]4->[Rh+3]45678<-[cH]9[cH]->4[cH]->5[c]->6(C3C2)[cH]-... 0.000

#29 Clc1ccc(C2=NN3c4nc5c(s4)[CH]4[CH](C=C5)[Rh+3]45[CH]4C=CC=C(C3C2)[CH]45)cc1 0.000

Sequential multi-lig (v2) — 252 candidates

Pred: {"N": 2}