Compare #750 — BiometalDB

{"N": 1, "O": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 270 candidates

Pred: {"O": 2}

#2 CC(=O)OCC1C(OC(C)=O)OC(n2cc[n+](C)[c-]2->[Ru]2[O]C(=O)C(=O)[O]2)C(OC(C)=O)C1OC(C... 0.815

#3 O=C([O-])C(=O)[O-]->[Ru+2] 0.001

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

#5 CC(=O)OCC1C(OC(C)=O)C(OC(C)=O)C([n+]2[c-]n(C)cc2)[O](->[Ru]2[O]C(=O)C(=O)[O]2)C1... 0.000

#6 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

#7 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

#8 CC(=O)OCC1C2OC(C)=[O]->[Ru+2]<-[O](C1OC(C)=O)C([n+]1[c-]n(C)cc1)C2OC(C)=O 0.000

#9 CC(=O)OC1C2COC(C)=[O]->[Ru+2]<-[O](C2OC(C)=O)C([n+]2[c-]n(C)cc2)C1OC(C)=O 0.000

#10 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C(OC(C)=O)C1C[O](C(C)=O)->[Ru]1[O]C(=O)C(... 0.000

#11 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1[O](C(C)=O)->[Ru]1[O]C(=O)C(... 0.000

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

#13 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

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

#15 CC(=O)OC1C2COC(C)=[O]->[Ru+2]<-[O]=C(C)OC2OC([n+]2[c-]n(C)cc2)C1OC(C)=O 0.000

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

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

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

#19 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C2OC(C)=[O]->[Ru+2]<-[O](C(C)=O)C12 0.000

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

#21 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

#22 CC(=O)OC1C2COC(C)=[O]->[Ru+2]<-[O](C(C)=O)C2OC([n+]2[c-]n(C)cc2)C1OC(C)=O 0.000

#23 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

#24 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C(OC(C)=O)C1C[O](->[Ru+2])C(C)=O 0.000

#25 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

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

#27 CC(=O)OC1OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C(OC(C)=O)C1COC(C)=[O]->[Ru+][O]C(=O)C(=O... 0.000

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

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

#30 CC(=O)OCC1C(OC(C)=O)OC([n+]2[c-]n(C)cc2)C(OC(C)=O)C1[O](->[Ru+2]<-[O]=C([O-])C(=... 0.000

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

Sequential multi-lig (v2) — 270 candidates