Compare #6387 — BiometalDB

{"O": 1}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 243 candidates

Pred: C:6(eta)

#2 CCOC(=O)c1sc(N/N=C\c2cc3c([cH]4->[Ru+2]<-[cH]24)N(CC)c2ccccc2S3)nc1C 0.372

#3 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)Sc2c[cH]4->[Ru+2]<-[cH]4cc2N3CC)nc1C 0.153

#4 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)Sc2c(c[cH]4->[Ru+]5<-[cH]2[cH]->54)N3CC)nc1C 0.000

#5 CCOC(=O)c1sc(N/N=C\c2cc3c4c[cH]2->[Ru+2]2<-[cH]5cc(c(c[cH]->25)N4CC)S3)nc1C 0.000

#6 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)SC2=C(C=C[CH]4[Ru+2][CH]24)N3CC)nc1C 0.000

#7 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)Sc2ccccc2N3CC)[n](->[Ru+2])c1C 0.000

#8 CCOC(=O)c1sc(N/[N](->[Ru+2])=C\c2ccc3c(c2)Sc2ccccc2N3CC)nc1C 0.000

#9 CCOC(=O)c1sc(N/N=C\c2cc3c4[cH](->[Ru+2]5<-[cH]6cc(c(c[cH]->56)N4CC)S3)c2)nc1C 0.000

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

#11 CCOC(=O)c1sc(N/N=C\c2cc3c4[cH]5->[Ru+2](<-[cH]6ccc(c(c6)N4CC)S3)<-[cH]25)nc1C 0.000

#12 CCOC(=[O]->[Ru+2])c1sc(N/N=C\c2ccc3c(c2)Sc2ccccc2N3CC)nc1C 0.000

#13 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)SC2=C([CH]4[Ru+2][CH]4C=C2)N3CC)nc1C 0.000

#14 CCOC(=O)c1sc2N/N=C\c3ccc4c(c3)Sc3cc[cH]5->[Ru+2](<-[cH]5c3N4CC)<-[n]2c1C 0.000

#15 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)Sc2c[cH]4->[Ru+]5<-[cH](c2N3CC)[cH]->54)nc1C 0.000

#16 CCN1c2ccccc2Sc2cc(/C=N\Nc3nc(C)c(C(=O)[O](->[Ru+2])CC)s3)ccc21 0.000

#17 CCOC(=O)c1c(C)nc(N/N=C\c2ccc3c(c2)Sc2ccccc2N3CC)[s]1->[Ru+2] 0.000

#18 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)SC2=C([CH]4[CH]5[CH]6[CH]2[Ru+2]465)N3CC)nc1C 0.000

#19 CCOC(=O)c1sc(N/N=C\c2cc3c4[cH]5->[Ru+2](<-[cH]6ccc(c(c6)S3)N4CC)<-[cH]25)nc1C 0.000

#20 CCOC(=O)c1sc(N/N=C\c2ccc3c([cH]2->[Ru+2]2<-[cH]4c(C)ccc(C(C)C)[cH]->24)Sc2ccccc2... 0.000

#21 CCOC(=O)c1sc(N/N=C\c2cc3c([cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)c2)N(CC)c2... 0.000

#22 CCOC(=O)c1sc(N/N=C\c2cc3c4[cH](->[Ru+2]5<-[cH]6ccc(c([cH]->56)N4CC)S3)c2)nc1C 0.000

#23 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)Sc2c[cH](->[Ru+2]4<-[cH]5c(C)ccc(C(C)C)[cH]->45)cc... 0.000

#24 CCOC(=O)c1sc(N/N=C\c2cc3c4[cH](->[Ru+2]5<-[cH]6ccc(c([cH]->56)S3)N4CC)c2)nc1C 0.000

#25 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)Sc2c[cH]4->[Ru+2](<-[cH]5cc(C)ccc5C(C)C)<-[cH]4cc2... 0.000

#26 CCOC(=O)c1sc(N/N=C\c2ccc3c(c2)Sc2c(cc[cH]4->[Ru+2](<-[cH]5cc(C(C)C)ccc5C)<-[cH]2... 0.000

#27 CCOC(=O)c1sc(N/N=C\c2ccc3c4[cH]2->[Ru+2]2<-[cH]5cc(c(c[cH]->25)N3CC)S4)nc1C 0.000

#28 CCOC(=O)c1sc(N/N=C\c2cc3c4c[cH]2->[Ru+2]2<-[cH]5ccc(c([cH]->25)N4CC)S3)nc1C 0.000

Sequential multi-lig (v2) — 243 candidates

Pred: {"S": 2, "O": 2}