Compare #790 — BiometalDB

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

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 216 candidates

Pred: C:6(eta)

#2 CC(C)[c]12->[Ru+2]3456<-[cH]([cH]->31)[c]->4(C)[cH]->5[cH]->62 0.069

#3 CCS(=O)(=O)/N=C(/Nc1ccccc1)[SH-]->[Ru+2] 0.001

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

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

#6 CCS(=O)(=O)/[N](->[Ru+2])=C(\[S-])Nc1ccccc1 0.000

#7 CCS(=O)(/N=C(\[S-])Nc1ccccc1)=[O]->[Ru+2] 0.000

#8 CCS(=O)(=O)/N=C(\[S-])[NH](->[Ru+2])c1ccccc1 0.000

#9 CCS(=O)(=O)/N=C(\[S-])Nc1cc[cH]2->[Ru+2]<-[cH]2c1 0.000

#10 CCS(=O)(=O)/N=C(\[S-])Nc1ccc[cH]2->[Ru+2]<-[cH]12 0.000

#11 CCS(=O)(=O)/N=C(\[S-])Nc1cc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#12 CCS(=O)(=O)/N=C(\[S-])NC1=C[CH]2[Ru+2][CH]2C=C1 0.000

#13 CCS(=O)(=O)/N=C(\[S-])NC1=CC=C[CH]2[Ru+2][CH]12 0.000

#14 CCS(=O)(=O)/N=C(\[S-])Nc1c[cH]2->[Ru+]3<-[cH](c1)[cH]->32 0.000

#15 CCS(=O)(=O)/N=C(\[S-])Nc1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#16 CCS(=O)(=O)/N=C(\[S-])Nc1cccc[cH]1->[Ru+2]1<-[cH]2c(C)ccc(C(C)C)[cH]->12 0.000

#17 CCS(=O)(=O)/N=C(\[S-])Nc1ccc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c1 0.000

#18 CCS(=O)(=O)/N=C(\[S-])NC1=C[CH]2[CH]3[CH]4[CH]1[Ru+2]234 0.000

#19 CCS(=O)(=O)/N=C(\[S-])Nc1ccc[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]12 0.000

#20 CCS(=O)(=O)/N=C(\[S-])Nc1cc[cH]2->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[cH]2c1 0.000

#21 CCS(=O)(=O)/N=C(\[S-])Nc1cc[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)cc1 0.000

#22 CCS(=O)(=O)/N=C(\[S-])Nc1ccc[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]12 0.000

#23 CCS(=O)(=O)/N=C(\[S-])Nc1cc[cH]2->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[cH]2c1 0.000

#24 CCS(=O)(=O)/N=C(\[S-])Nc1ccc[cH](->[Ru+2])c1 0.000

#25 CCS(=O)(=O)/N=C(\[S-])Nc1cc[cH](->[Ru+2])cc1 0.000

Sequential multi-lig (v2) — 216 candidates

Pred: {"S": 2}