Compare #659 — BiometalDB

{"N": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 261 candidates

Pred: C:6(eta)

#2 Cn1c(-c2[c-][cH]3->[Ir+2]4<-[cH](c2)[cH]->43)nc2ccccc21 0.000

#3 c1ccc2nc3c(nc2c1)c1ccc[n]2->[Ir+3]4<-[cH]5cnc(c3[cH]->45)c12 0.000

#4 Cn1c(-c2[c-]cccc2)nc2c[cH]3->[Ir+2]4<-[cH](c21)[cH]->43 0.000

#5 Cn1c(-c2[c-]cccc2)[n](->[Ir+3]<-[n]2cccc3c4nc5ccccc5nc4c4cccnc4c32)c2ccccc21 0.000

#6 C1=Nc2c(c3nc4ccccc4nc3c3cccnc23)[CH]2[Ir+3][CH]12 0.000

#7 [Ir+3]<-[cH]1cccc2nc3c4cccnc4c4ncccc4c3nc21 0.000

#8 Cn1c(-c2[c-]cccc2)[n](->[Ir+3]23<-[n]4cccc5c6nc7ccccc7[n]->2c6c2ccc[n]->3c2c54)c... 0.000

#9 Cn1c(-c2[c-]cccc2)nc2c[cH]3->[Ir+3](<-[cH]3cc21)<-[n]1c2ccccc2nc2c3cccnc3c3ncccc... 0.000

#10 Cn1c2-c3[c-]cc[cH]4->[Ir+3](<-[cH]5cccc1c5n2)<-[cH]34 0.000

#11 Cn1c2-c3[c-]c[cH](->[Ir+3]4<-[cH]5ccc1c(n2)[cH]->45)cc3 0.000

#12 Cn1c2-c3[c-]c[cH]4->[Ir+3](<-[cH]5ccc(n2)c1c5)<-[cH]4c3 0.000

#13 Cn1c(-c2[c-]cccc2)[n](->[Ir+3]2(<-[n]3cccc4c5nc6ccccc6[n]->2c5c2cccnc2c43)<-[n]2... 0.000

#14 Cn1c(-c2[c-]cccc2)nc2cc[cH]3->[Ir+3](<-[cH]4cccc5nc6c7cccnc7c7ncccc7c6nc54)<-[cH... 0.000

#15 Cn1c(-c2[c-]cccc2)nc2ccc[cH](->[Ir+3]3<-[cH]4ccc5nc6c7cccnc7c7ncccc7c6nc5[cH]->3... 0.000

#16 Cn1c(-c2[c-]cc[cH]3->[Ir+3](<-[cH]4cccc5nc6c7cccnc7c7ncccc7c6nc54)<-[cH]23)nc2cc... 0.000

#17 Cn1c(-c2[c-]cccc2)nc2c1cc[cH]1->[Ir+3](<-[cH]3cccc4nc5c6cccnc6c6ncccc6c5nc43)<-[... 0.000

#18 Cn1c(-c2[c-]cccc2)nc2cc[cH](->[Ir+3]3<-[cH]4ccc5nc6c7cccnc7c7ncccc7c6nc5[cH]->34... 0.000

#19 Cn1c(-c2[c-]cccc2)nc2c[cH]3->[Ir+3](<-[cH]4cccc5nc6c7cccnc7c7ncccc7c6nc54)<-[cH]... 0.000

#20 Cn1c(-c2[c-][cH](->[Ir+3]3<-[cH]4cc5nc(-c6[c-]cccc6)n(C)c5c[cH]->34)ccc2)nc2cccc... 0.000

#21 Cn1c(-c2[c-][cH]3->[Ir+3](<-[cH]4cccc5c4nc(-c4[c-]cccc4)n5C)<-[cH]3cc2)nc2ccccc2... 0.000

#22 Cn1c(-c2[c-]cccc2)nc2c1cc[cH]1->[Ir+3](<-[cH]3cccc4nc(-c5[c-]cccc5)n(C)c43)<-[cH... 0.000

#23 Cn1c(-c2[c-]c[cH]3->[Ir+3](<-[cH]4cccc5nc(-c6[c-]cccc6)n(C)c54)<-[cH]3c2)nc2cccc... 0.000

#24 Cn1c(-c2[c-]c[cH](->[Ir+3]3<-[cH]4[c-]c(-c5nc6ccccc6n5C)cc[cH]->34)cc2)nc2ccccc2... 0.000

#25 Cn1c(-c2[c-]cc[cH](->[Ir+3]3<-[cH]4cc5nc(-c6[c-]cccc6)n(C)c5c[cH]->34)c2)nc2cccc... 0.000

#26 Cn1c(-c2[c-]c[cH](->[Ir+3]3<-[cH]4cc5nc(-c6[c-]cccc6)n(C)c5c[cH]->34)cc2)nc2cccc... 0.000

#27 Cn1c(-c2[c-]ccc[cH]2->[Ir+3]2<-[cH]3ccc4c(nc(-c5[c-]cccc5)n4C)[cH]->23)nc2ccccc2... 0.000

#28 Cn1c2nc3c1[CH]1[CH](C=C3)[Ir+3]13[CH]1[C-]=C2C=C[CH]13 0.000

#29 Cn1c(-c2[c-]cccc2)nc2c1C=C[CH]1[CH]2[Ir+3]12[CH]1[C-]=C(c3nc4ccccc4n3C)C=C[CH]12 0.000

#30 Cn1c(-c2[c-]cccc2)nc2c[cH]3->[Ir+3](<-[cH]4ccc[c-]c4-c4nc5ccccc5n4C)<-[cH]3cc21 0.000

Sequential multi-lig (v2) — 261 candidates

Pred: {"N": 2}