Compare #6723 — BiometalDB

{"N": 3}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 261 candidates

Pred: C:6(eta)

#2 Cc1c2oc(=O)c(-c3ccccn3)cc2[cH]2->[Ru+]3<-[cH]1[cH]->32 0.671

#3 Cc1c[cH]2->[Ru+2]3<-[cH]4ccc(-c5cc(c1oc5=O)[cH]->32)nc4 0.069

#4 Cc1c2oc(=O)c3-c4c[cH]5->[Ru+2](<-[cH]1ccc2c3)<-[cH]5cn4 0.036

#5 Cc1cccc2cc(-c3ccccn3)c(=O)[o](->[Ru+2])c12 0.000

#6 Cc1cccc2c1oc(=O)c1-c3c[cH]4->[Ru+2](<-[cH]12)<-[cH]4cn3 0.000

#7 Cc1c[cH]2->[Ru+2]<-[cH]2c2cc(-c3ccccn3)c(=O)oc12 0.000

#8 Cc1cccc2cc(-c3nccc[cH]3->[Ru+2])c(=O)oc12 0.000

#9 Cc1cccc2cc(-c3ncc[cH]4->[Ru+2]<-[cH]34)c(=O)oc12 0.000

#10 Cc1cc[cH]2->[Ru+2]3<-[cH]4cnc(-c5cc2c1oc5=O)c[cH]->34 0.000

#11 Cc1c2oc(=O)c3-c4nccc[cH]4->[Ru+2]4<-[cH](cc2c3)[cH]->41 0.000

#12 Cc1c[cH]2->[Ru+2]3<-[cH]4ccnc(-c5cc(c1oc5=O)[cH]->32)c4 0.000

#13 Cc1cccc2cc(-c3cc[cH](->[Ru+2])cn3)c(=O)oc12 0.000

#14 Cc1cccc2cc(-c3ccccn3)c(=[O]->[Ru+2])oc12 0.000

#15 Cc1c[cH]2->[Ru+2]3<-[cH]4ccnc(-c5cc(c2)c1oc5=O)[cH]->34 0.000

#16 Cc1cccc2c1oc(=O)c1-c3ncc[cH]4->[Ru+2](<-[cH]12)<-[cH]34 0.000

#17 C[S](C)(=O)->[Ru+2]<-[S](C)(C)=O 0.000

#18 Cc1cc[cH]2->[Ru+2]3<-[cH]4ccnc(-c5cc2c1oc5=O)[cH]->34 0.000

#19 Cc1c[cH]2->[Ru+2]3<-[cH]2c2cc(-c4cccc[n]->34)c(=O)oc12 0.000

#20 Cc1c2oc(=O)c3-c4c[cH](->[Ru+2]5<-[cH](cc2c3)[cH]->51)ccn4 0.000

#21 Cc1c2oc(=O)c3-c4cc[cH](->[Ru+2]5<-[cH](cc2c3)[cH]->51)cn4 0.000

#22 Cc1c2oc(=O)c(-c3ccccn3)cc2cc[cH]1->[Ru+2] 0.000

#23 Cc1cc[cH](->[Ru+2])c2cc(-c3ccccn3)c(=O)oc12 0.000

#24 Cc1cccc2c1oc(=O)c(-c1ccccn1)[cH]2->[Ru+2] 0.000

#25 CS(C)=[O]->[Ru+2]<-[O]=S(C)C 0.000

#26 C[S](C)(=O)->[Ru+2] 0.000

#27 Cc1c2oc(=O)c3-c4cccc[n]4->[Ru+2]4<-[cH](cc2c3)[cH]->41 0.000

#28 Cc1c[cH]2->[Ru+2]3<-[cH]4cccnc4-c4cc(c1oc4=O)[cH]->32 0.000

#29 Cc1c[cH](->[Ru+2])cc2cc(-c3ccccn3)c(=O)oc12 0.000

#30 Cc1c2oc(=O)c(-c3ccccn3)cc2c[cH]2->[Ru+2]<-[cH]12 0.000

Sequential multi-lig (v2) — 261 candidates