Compare #579 — BiometalDB

{"N": 2}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 225 candidates

Pred: C:6(eta)

#2 Cc1cc(C)c(/N=C/c2cc[cH]3->[Ru+2]<-[cH]3c2N)c(C)c1 0.012

#3 Cc1cc(C)c(/[N](->[Ru+2])=C/c2ccccc2N)c(C)c1 0.002

#4 Cc1cc(C)c(/N=C/c2c(N)c[cH]3->[Ru+]4<-[cH]2[cH]->43)c(C)c1 0.000

#5 Cc1cc(C)c([N]2=Cc3c(N)ccc[cH]3->[Ru+2]<-2)c(C)c1 0.000

#6 Cc1cc(C)c(/N=C/c2c[cH]3->[Ru+]4<-[cH](c2N)[cH]->43)c(C)c1 0.000

#7 Cc1cc(C)c(/N=C/C2=C(N)C=C[CH]3[Ru+2][CH]23)c(C)c1 0.000

#8 Cc1cc(C)c(/N=C/c2c(N)[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)c(C)c1 0.000

#9 Cc1cc(C)c(/N=C/C2=C(N)[CH]3[CH]4[CH]5[CH]2[Ru+2]345)c(C)c1 0.000

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

#11 Cc1cc(C)c(/N=C/c2ccc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)c2N)c(C)c1 0.000

#12 Cc1cc(C)c(/N=C/c2cc[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]3c2N)c(C)c1 0.000

#13 Cc1cc(C)[cH](->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(C)c1/N=C/c1ccccc1N 0.000

#14 Cc1cc(C)c(/N=C/c2cc[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]3c2N)c(C)c1 0.000

#15 Cc1cc(C)c(/N=C/c2c(N)cc[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]23)c(C)c1 0.000

#16 Cc1cc(C)c(/N=C/c2c(N)ccc[cH]2->[Ru+2]2<-[cH]3c(C)ccc(C(C)C)[cH]->23)c(C)c1 0.000

#17 Cc1cc(C)c(/N=C/c2ccc[cH](->[Ru+2])c2N)c(C)c1 0.000

#18 Cc1cc(C)[cH]2->[Ru+2]3<-[cH]4ccc(/C=N/c1c2C)c(N)[cH]->34 0.000

#19 Cc1cc(C)c(/N=C/c2cc[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)cc2N)c(C)c1 0.000

#20 Cc1cc(C)c(/N=C/c2c[cH]3->[Ru+2](<-[cH]4cc(C)ccc4C(C)C)<-[cH]3cc2N)c(C)c1 0.000

#21 Cc1cc(C)c(/N=C/c2c(N)ccc[cH]2->[Ru+2])c(C)c1 0.000

#22 Cc1cc(C)c(/N=C/c2c[cH](->[Ru+2]3<-[cH]4c(C)ccc(C(C)C)[cH]->34)ccc2N)c(C)c1 0.000

#23 Cc1cc(C)c(/N=C/c2c[cH]3->[Ru+2](<-[cH]4cc(C(C)C)ccc4C)<-[cH]3cc2N)c(C)c1 0.000

#24 Cc1cc(C)[cH]2->[Ru+2]3<-[cH]4cc(N)c(/C=N/c1c2C)c[cH]->34 0.000

#25 Cc1cc(C)c(/N=C/c2cc[cH](->[Ru+2])cc2N)c(C)c1 0.000

#26 Cc1cc(C)c(/N=C/c2c[cH](->[Ru+2])ccc2N)c(C)c1 0.000

Sequential multi-lig (v2) — 225 candidates

Pred: {"N": 2}