Compare #416 — BiometalDB

{"N": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 207 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.362

#3 Cc1ccc(C(C)C)[cH]2->[Ru+2]<-[cH]12 0.074

#4 Cn1cc[n+]2CC(c3ccccc3)[O](C)->[Ru+2]<-[c-]12 0.031

#5 COC1C[n+]2ccn(C)[c-]2->[Ru+2]23456<-[cH]7[cH]->2[cH]->3[c]->41[cH]->5[cH]->67 0.011

#6 Cc1ccc(C(C)C)[cH](->[Ru+2])c1 0.000

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

#8 COC(Cn1[c-][n+](C)cc1)[c]12->[Ru+2]3456<-[cH]([cH]->3[cH]->41)[cH]->5[cH]->62 0.000

#9 COC(Cn1[c-][n+](C)cc1)c1cc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#10 COC(Cn1[c-][n+](C)cc1)c1ccc[cH]2->[Ru+2]<-[cH]12 0.000

#11 COC(Cn1[c-][n+](C)cc1)c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#12 COC(Cn1[c-][n+](C)cc1)c1cc[cH]2->[Ru+2]<-[cH]2c1 0.000

#13 COC(Cn1[c-][n+](C)cc1)c1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.000

#14 COC(Cn1[c-][n+](C)cc1)C1=CC=C[CH]2[Ru+2][CH]12 0.000

#15 COC(Cn1[c-][n+](C)cc1)c1cccc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#16 COC(Cn1[c-][n+](C)cc1)C1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234 0.000

#17 COC(Cn1[c-][n+](C)cc1)c1ccc[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000

#18 COC(Cn1[c-][n+](C)cc1)c1ccc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000

#19 COC(Cn1[c-][n+](C)cc1)c1cc[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]2c1 0.000

#20 COC(Cn1[c-][n+](C)cc1)c1cc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)cc1 0.000

#21 COC(Cn1[c-][n+](C)cc1)c1ccc[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000

#22 COC(Cn1[c-][n+](C)cc1)c1cc[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]2c1 0.000

#23 COC(Cn1[c-][n+](C)cc1)c1ccc[cH](->[Ru+2])c1 0.000

#24 COC(Cn1[c-][n+](C)cc1)c1cc[cH](->[Ru+2])cc1 0.000

Sequential multi-lig (v2) — 207 candidates