Compare #6722 — BiometalDB

{"O": 1, "N": 1, "P": 1, "F": 4}

Ground Truth

0.000

Single-lig

0.000

Sequential

+0.000

Δ Sequential

Single-ligand (v1) — 261 candidates

Pred: C:6(eta)

#2 CC(C)(C)c1ccc(C[n+]2[c-]n(Cc3c4ccccc4cc4ccccc34)c3c2[cH]2->[Ru+2]45<-[cH]3[cH]->... 0.000

#3 CC(C)(C)c1ccc(C[n+]2[c-]n(Cc3c4ccccc4c[c]45->[Ru+2]6789<-[cH]([cH]->6[cH]->7[c]-... 0.000

#4 CC(C)(C)c1ccc(C[n+]2[c-]n(Cc3c4ccccc4cc4c3cc[cH]3->[Ru+2]<-[cH]43)c3ccccc32)cc1 0.000

#5 CC(C)(C)c1ccc(C[n+]2[c-]n3Cc4c5ccccc5[cH](->[Ru+2]5<-[cH]6ccc3c2[cH]->56)c2ccccc... 0.000

#6 CC(C)(C)c1ccc(C[n+]2[c-]n(Cc3c4ccccc4cc4ccccc34)c3ccccc32)[cH]2->[Ru+2]<-[cH]12 0.000

#7 CC(C)(C)c1ccc(C[n+]2[c-]n3Cc4c5ccccc5[cH](->[Ru+2]5<-[cH]6ccc2c3[cH]->56)c2ccccc... 0.000

#8 CC(C)(C)c1ccc(C[n+]2[c-]n3c4c2C=C[CH]2[CH]4[Ru+2]24[CH]2C=Cc5c(cc6ccccc6c5C3)[CH... 0.000

#9 CC(C)(C)c1ccc(C[n+]2[c-]n(Cc3c4ccccc4[cH]4->[Ru+2]5<-[cH]6ccc4c3[cH]->56)c3ccccc... 0.000

#10 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5[cH](->[Ru+2]5<-[cH]2[cH]->51)c1ccccc41)c1c... 0.000

#11 CC(C)(C)c1ccc(C[n+]2[c-]n(Cc3c4ccc[cH]5->[Ru+2]6<-[cH]7ccc(cc45)c3[cH]->67)c3ccc... 0.000

#12 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5cc5cc[cH]6->[Ru+2](<-[cH]1c2)<-[cH]6c45)c1c... 0.000

#13 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3c(C[n+]4[c-]n(Cc5c6ccccc6cc6ccccc56)c5ccccc54)... 0.000

#14 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5cc5c4ccc[cH]5->[Ru+2]4<-[cH]2[cH]->41)c1ccc... 0.000

#15 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc4cc5ccccc5c(Cn5[c-][n+](Cc6ccc(C(C)(C)C)cc6... 0.000

#16 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc3c(Cn4[c-][n+](Cc5ccc(C(C)(C)C)cc5)c5ccccc... 0.000

#17 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5cc5cc[cH]6->[Ru+2](<-[cH]2c1)<-[cH]6c45)c1c... 0.000

#18 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5cc5c[cH](->[Ru+2]6<-[cH]2[cH]->61)ccc45)c1c... 0.000

#19 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3cc(C(C)(C)C)ccc3C[n+]3[c-]n(Cc4c5ccccc5cc5cccc... 0.000

#20 Cc1ccc(C(C)C)[cH]2->[Ru+2](<-[cH]3ccc4c(c3)n(Cc3c5ccccc5cc5ccccc35)[c-][n+]4Cc3c... 0.000

#21 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5cc5c4cc[cH]4->[Ru+2](<-[cH]2c1)<-[cH]54)c1c... 0.000

#22 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2ccc3c([cH]->12)n(Cc1c2ccccc2cc2ccccc12)[c-][n... 0.000

#23 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5cc5cc[cH](->[Ru+2]6<-[cH]2[cH]->61)cc45)c1c... 0.000

#24 Cc1ccc(C(C)C)c[cH]1->[Ru+2]1<-[cH]2cc3cc4ccccc4c(Cn4[c-][n+](Cc5ccc(C(C)(C)C)cc5... 0.000

#25 CC(C)(C)c1ccc(C[n+]2[c-]n(Cc3c4cc[cH]5->[Ru+2]6<-[cH]7cc(cc4c5)c3c[cH]->67)c3ccc... 0.000

#26 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5cc5ccccc45)c4c[cH](->[Ru+2]5<-[cH]2[cH]->51... 0.000

#27 CC(C)(C)c1ccc2C[n+]3[c-]n(Cc4c5ccccc5cc5ccccc45)c4cc[cH](->[Ru+2]5<-[cH]2[cH]->5... 0.000

#28 Cc1ccc(C(C)C)[cH](->[Ru+2]2<-[cH]3cc4c(c[cH]->23)[n+](Cc2ccc(C(C)(C)C)cc2)[c-]n4... 0.000

#29 CC(C)(C)c1ccc(C[n+]2[c-]n3Cc4c5ccccc5cc5cc[cH](->[Ru+2]6<-[cH]7cc3c2c[cH]->67)cc... 0.000

#30 CC(C)(C)c1ccc(C[n+]2[c-]n(Cc3c4ccccc4cc4ccccc34)c3c2ccc[cH]3->[Ru+2])cc1 0.000

Sequential multi-lig (v2) — 261 candidates

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