Compare #751 — BiometalDB

{"N": 3}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 252 candidates

Pred: {"N": 2}

#2 c1cc[n]2->[Ru+2]<-[n]3ccccc3-c2c1 0.992

#3 [Ru+2]<-[n]1ccccc1-c1ccccn1 0.001

#4 c1ccc(-c2nc[cH]3->[Ru+]4<-[cH]2[cH]->43)nc1 0.000

#5 c1cc[n]2->[Ru+2]3<-[cH]4cnc(-c2c1)c[cH]->34 0.000

#6 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cnc(-c4ccccn4)c[cH]->23)c1 0.000

#7 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cnc(-c3ccccn3)c[cH]->12 0.000

#8 [Ru+2]<-[cH]1ccc(-c2ccccn2)nc1 0.000

#9 c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c[cH]->34 0.000

#10 [Ru+2]<-[cH]1cccnc1-c1ccccn1 0.000

#11 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccnc(-c3ccccn3)[cH]->12 0.000

#12 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cccnc3-c3ccccn3)<-[cH]12 0.000

#13 c1cnc2-c3ncc[cH]4->[Ru+2](<-[cH]2c1)<-[cH]34 0.000

#14 [Ru+2]<-[cH]1ccnc(-c2ccccn2)c1 0.000

#15 c1cnc2-c3c[cH]4->[Ru+2](<-[cH]2c1)<-[cH]4cn3 0.000

#16 CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C([n+]2[c-]n(C)cc2)[O](->[Ru+2])C1OC(C)=O 0.000

#17 CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C([n+]2[c-]n(C)cc2)[O]2->[Ru+2]<-[O]=C(C)OC12 0.000

#18 CC(=O)OCC1C(OC(C)=O)C2OC(C)=[O]->[Ru+2]<-[O](C1OC(C)=O)C2[n+]1[c-]n(C)cc1 0.000

#19 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OC(C1OC(C)=O)C([n+]1[c-]n(C)cc1)O2 0.000

#20 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OCC1C2OC(C)=O 0.000

#21 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OC1C(OC(C)=O)C([n+]1[c-]n(C)cc1)O2 0.000

#22 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OC12 0.000

#23 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C2OC(C)=[O]->[Ru+2]<-[O]=C(C)OCC12 0.000

#24 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O](C(C)=O)C(C1OC(C)=O)C([n+]1[c-]n(C)cc1)O2 0.000

#25 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O](C(C)=O)C1C(OC(C)=O)C([n+]1[c-]n(C)cc1)O2 0.000

#26 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C2[O](->[Ru+2]<-[O]=C(C)OCC12)C(C)=O 0.000

#27 CC(=O)OC1C2C[O](->[Ru+2]<-[O]=C(C)OC2OC([n+]2[c-]n(C)cc2)C1OC(C)=O)C(C)=O 0.000

#28 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C2OC(C)=[O]->[Ru+2]<-[O](CC12)C(C)=O 0.000

#29 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C([O](->[Ru+2])C(C)=O)C1OC(C)=O 0.000

Sequential multi-lig (v2) — 252 candidates