Compare #570 — BiometalDB

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

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 252 candidates

Pred: C:6(eta)

#2 C1=C[CH]2[Ru+2][CH]2C=C1 0.020

#3 [O-]/C(c1ccccc1)=[N](->[Ru+2])\N=C\c1ccc2c(c1)Cc1ccccc1-2 0.002

#4 c1c[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#5 [O-]/C(=N\N=C\c1ccc2c(c1)CC1=C2C=C[CH]2[Ru+2][CH]12)c1ccccc1 0.000

#6 [O-]/C(=N\N=C\c1ccc2c(c1)Cc1c-2[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42)c1ccccc1 0.000

#7 [O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)C1=C[CH]2[Ru+2][CH]2C=C1 0.000

#8 [O-]/C(=N\N=C\c1ccc2c(c1)Cc1c[cH]3->[Ru+2]<-[cH]3cc1-2)c1ccccc1 0.000

#9 [O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1cc[cH]2->[Ru+2]<-[cH]2c1 0.000

#10 [O-]/C(=N\N=C\c1ccc2c(c1)CC1=C2[CH]2[CH](C=C1)[Ru+2]21[CH]2C=CC=C[CH]21)c1ccccc1 0.000

#11 [O-]/C1=N\N=C\c2ccc3c(c2)CC2=C3C=C[CH]3[CH]2[Ru+2]32[CH]3C=CC1=C[CH]32 0.000

#12 [O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1cc[cH](->[Ru+2])cc1 0.000

#13 [O-]/C(=N\N=C\c1cc2c(c[cH]1->[Ru+2])-c1ccccc1C2)c1ccccc1 0.000

#14 [O-]/C(=N\N=C\c1cc2c3[cH](->[Ru+2]4<-[cH]5ccc-3c([cH]->45)C2)c1)c1ccccc1 0.000

#15 [O-]/C(=N\N=C\c1ccc2c3[cH]1->[Ru+2]1<-[cH]4ccc-2c([cH]->14)C3)c1ccccc1 0.000

#16 [O-]/C(=N\N=C\c1cc2c3[cH]4->[Ru+2](<-[cH]5cccc-3c5C2)<-[cH]14)c1ccccc1 0.000

#17 [O-]/C(=N\N=C\c1cc2c3[cH]4->[Ru+2](<-[cH]5cccc(c5-3)C2)<-[cH]14)c1ccccc1 0.000

#18 [O-]/C(=N\N=C\c1cc2c([cH](->[Ru+2]3<-[cH]4cccc[cH]->34)c1)-c1ccccc1C2)c1ccccc1 0.000

#19 [O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1cc[cH](->[Ru+2]2<-[cH]3cccc[cH]->23)cc1 0.000

#20 [O-]/C(=N\N=C\c1ccc2c([cH]1->[Ru+2]1<-[cH]3cccc[cH]->13)Cc1ccccc1-2)c1ccccc1 0.000

#21 [O-]/C1=N\N=C\c2ccc3c(c2)Cc2c[cH]4->[Ru+2](<-[cH]5ccc1cc5)<-[cH]4cc2-3 0.000

#22 [O-]/C1=N\N=C\c2cc3c([cH](->[Ru+2]4<-[cH]5ccc1c[cH]->45)c2)-c1ccccc1C3 0.000

#23 [O-]/C(=N\N=C\c1ccc2c(c1)Cc1ccccc1-2)c1ccc[cH]2->[Ru+2](<-[cH]3ccccc3)<-[cH]12 0.000

#24 [O-]/C1=N\N=C\c2ccc3c(c2)Cc2c-3cc[cH]3->[Ru+2](<-[cH]4ccccc41)<-[cH]23 0.000

#25 [O-]/C(=N\N=C\c1cc2c3c[cH]1->[Ru+2]1<-[cH]4ccc-3c([cH]->14)C2)c1ccccc1 0.000

#26 [O-]/C1=N\N=C\c2ccc3c(c2)Cc2cc[cH](->[Ru+2]4<-[cH]5ccc1c[cH]->45)cc2-3 0.000

#27 [O-]/C1=N\N=C\c2ccc3c(c2)Cc2c[cH]4->[Ru+2](<-[cH]5ccccc51)<-[cH]4cc2-3 0.000

#28 [O-]/C(=N\N=C\c1cc2c3c[cH]1->[Ru+2]1<-[cH]4cc(c-3c[cH]->14)C2)c1ccccc1 0.000

#29 [O-]/C1=N\N=C\c2cc3c(c[cH]2->[Ru+2]2<-[cH]4cccc1[cH]->24)-c1ccccc1C3 0.000

Sequential multi-lig (v2) — 252 candidates

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