Compare #80 — BiometalDB

{"N": 8}

Ground Truth

0.375

Single-lig

0.000

Sequential

-0.375

Δ Sequential

Single-ligand (v1) — 409 candidates

Pred: {"N": 3}

#2 c1cc[n]2->[Ru+2](<-[n]3ccccc3-c2c1)<-[n]1nc2c3cccc4ccc5cccc(c2nc1-c1cnccn1)c5c43 0.097

#2 [C-]1=C(c2ccccn2)C=C[CH]2[Ru+2][CH]12 0.000

#2 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[n]2ccncc2-c2n[n]->1c1c4cccc5ccc6cccc(c... 0.000

#2 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2134(<-[n]2ccccc2-c2cccc[n]->12)<-[n]1ccncc1... 0.000

#3 c1cc[n]2->[Ru+2]3(<-[n]4cc[n]->3c(-c3nnc5c6cccc7ccc8cccc(c5n3)c8c76)c4)<-[n]3ccc... 0.001

#3 [C-]1=C(c2ccccn2)[CH]2[CH]3[CH]4[CH]1[Ru+2]243 0.000

#3 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2134[CH]2[CH]1[N]3C(c1nnc3c5cccc6ccc7cccc(c3... 0.000

#3 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+]21345(<-[cH]2cnc(-c6ccccn6)[cH]->1[cH]->32)<-... 0.000

#4 c1ccc(-c2cccc[n]2->[Ru+2]<-[n]2nc3c4cccc5ccc6cccc(c3nc2-c2cnccn2)c6c54)nc1 0.000

#4 [c-]1c(-c2ccccn2)c[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#4 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2ccncc2-c2nc3c4cccc5ccc6cccc(c3n[n]->... 0.000

#4 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2134(<-[n]2ccncc2-c2n[n]->1c1c5cccc6ccc7cccc... 0.000

#5 c1ccc(-c2cccc[n]2->[Ru+2]<-[n]2c(-c3cnccn3)nnc3c4cccc5ccc6cccc(c6c54)c32)nc1 0.000

#5 [c-]1c2-c3cccc[n]3->[Ru+2]3<-[cH]1[cH]->3cc2 0.000

#5 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[n]2cc[n]->1c(-c1nc4c5cccc6ccc7cccc(c4n... 0.000

#5 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213(<-[n]2ccccc2-c2ccccn2)<-[n]2ccncc2-c2n[n... 0.000

#6 c1ccc(-c2cccc[n]2->[Ru+2]2<-[cH]3cc4c5nc(-c6cnccn6)nnc5c5cccc6ccc(c4c65)[cH]->23... 0.000

#6 [c-]1c(-c2ccccn2)[cH]2->[Ru+2]34<-[cH]1[cH]->3[cH]->42 0.000

#6 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2ccncc2-c2nnc3c4cccc5ccc6cccc(c6c54)c... 0.000

#6 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21345(<-[cH]2ccnc(-c6cccc[n]->16)[cH]->32)<-... 0.000

#7 [Ru+2]<-[cH]1ccc2ccc3cccc4c5nnc(-c6cnccn6)nc5c1c2c34 0.000

#7 [c-]1c(-c2ccccn2)cc[cH]2->[Ru+2]<-[cH]12 0.000

#7 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2ccncc2-c2nc3c4cccc5ccc6cccc(c6c54)c3... 0.000

#7 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213(<-[cH]2ccc(-c4ccccn4)nc2)<-[n]2ccncc2-c2... 0.000

#8 c1cnc(-c2nnc3c4c[cH]5->[Ru+2]6<-[cH]7cc(c3n2)c2c4c(ccc2[cH]->67)c5)cn1 0.000

#8 [Ru+2]<-[n]1ccccc1-c1[c-]cccc1 0.000

#8 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2nc(-c3cnccn3)[n]->1c1c3cccc4ccc5cccc... 0.000

#8 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2134(<-[cH]2cnc(-c5ccccn5)c[cH]->12)<-[n]1cc... 0.000

#9 [Ru+2]<-[cH]1ccc(-c2ccccn2)nc1 0.000

#9 [C-]1=C(c2ccccn2)[CH]2[Ru+2][CH]2C=C1 0.000

#9 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[n]2cc[n]->1c(-c1nnc4c5cccc6ccc7cccc(c7... 0.000

#9 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21345(<-[cH]2cccnc2-c2ncc[cH]->1[cH]->32)<-[... 0.000

#10 [c-]1c(-c2ccccn2)c[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#10 [c-]1ccccc1-c1nc[cH]2->[Ru+]3<-[cH]1[cH]->32 0.000

#10 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[n]1nc(-c2cnccn2)nc2c3cccc4ccc5cccc(c5c43... 0.000

#10 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2134(<-[cH]2ccnc(-c5ccccn5)[cH]->12)<-[n]1cc... 0.000

#11 c1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1nc2)c[cH]->34 0.000

#11 [Ru+2]<-[cH]1[c-]c(-c2ccccn2)ccc1 0.000

#11 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2ccnc(-c3nc4c5cccc6ccc7cccc(c7c65)c4[... 0.000

#11 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213(<-[cH]2ccnc(-c4ccccn4)c2)<-[n]2ccncc2-c2... 0.000

#12 c1ccc(-c2c[cH]3->[Ru+2](<-[cH]4ccc5ccc6cccc7c8nnc(-c9cnccn9)nc8c4c5c67)<-[cH]3cn... 0.000

#12 [c-]1ccccc1-c1ncc[cH]2->[Ru+2]<-[cH]12 0.000

#12 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[n]1ccnc(-c2nnc3c4cccc5ccc6cccc(c3n2)c6c5... 0.000

#12 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21345(<-[cH]2cnc(-c6cccc[n]->16)c[cH]->32)<-... 0.000

#13 c1ccc(-c2nccc[cH]2->[Ru+2]2<-[cH]3c4cccc5c6nnc(-c7cnccn7)nc6c6cccc(c6c54)[cH]->2... 0.000

#13 [c-]1c[cH]2->[Ru+]3<-[cH](c1-c1ccccn1)[cH]->32 0.000

#13 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2c(-c3cnccn3)nc3c4cccc5ccc6cccc(c6c54... 0.000

#13 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213(<-[cH]2cccnc2-c2ccccn2)<-[n]2ccncc2-c2n[... 0.000

#14 c1ccc(-c2ncc[cH]3->[Ru+2](<-[cH]4ccc5c6nc(-c7cnccn7)nnc6c6cccc7ccc4c5c76)<-[cH]2... 0.000

#14 [c-]1cc[cH]2->[Ru+2]3<-[cH]2c1-c1cccc[n]->31 0.000

#14 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2cc[n]->1c(-c1nnc3c4cccc5ccc6cccc(c3n... 0.000

#14 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21345(<-[cH]2ccc(-c6ncc[cH]->1[cH]->36)nc2)<... 0.000

#15 c1ccc(-c2c[cH](->[Ru+2]3<-[cH]4cc5ccc6cccc7c8nnc(-c9cnccn9)nc8c(c5c67)[cH]->34)c... 0.000

#15 [c-]1c2-c3ncc[cH]4->[Ru+2](<-[cH]1ccc2)<-[cH]34 0.000

#15 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213456<-[cH]2[cH]->1[c]->31cccc3c7nc(-c8cncc... 0.000

#15 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21345(<-[cH]2ccc(-c6c[cH]->1[cH]->3cn6)nc2)<... 0.000

#16 [c-]1c2-c3cccc[n]3->[Ru+2]3<-[cH]1[cH]->3cc2 0.000

#16 [c-]1ccccc1-c1c[cH]2->[Ru+2]<-[cH]2cn1 0.000

#16 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2c4cccc5c6nnc(-c7c[n]->1ccn7)nc6c1c... 0.000

#16 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21345(<-[cH]2ccnc(-c6c[cH]->1[cH]->3cn6)c2)<... 0.000

#17 c1ccc(-c2c[cH](->[Ru+2]3<-[cH]4cc5c6nc(-c7cnccn7)nnc6c6cccc7ccc(c5c76)[cH]->34)c... 0.000

#17 [c-]1ccccc1C1=C[CH]2[Ru+2][CH]2C=N1 0.000

#17 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[c]23c4cccc2c2nnc(-c5cnccn5)nc2c2cccc(cc... 0.000

#17 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21345(<-[cH]2ccnc(-c6ncc[cH]->1[cH]->36)c2)<... 0.000

#18 [c-]1c2-c3ncc[cH]4->[Ru+2](<-[cH]1ccc2)<-[cH]34 0.000

#18 [c-]1c2-c3c[cH]4->[Ru+2](<-[cH]1ccc2)<-[cH]4cn3 0.000

#18 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2ccnc(-c3nc4c5cccc6ccc7cccc(c4n[n]->1... 0.000

#18 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21345(<-[cH]2cccnc2-c2c[cH]->1[cH]->3cn2)<-[... 0.000

#19 [c-]1ccccc1-c1cccc[n]1->[Ru+2]1<-[cH]2cc3c4nc(-c5cnccn5)nnc4c4cccc5ccc(c3c54)[cH... 0.000

#19 [c-]1c2-c3cc[cH](->[Ru+2]4<-[cH]1[cH]->4cc2)cn3 0.000

#19 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[n]1nc2c3cccc4ccc5cccc(c2nc1-c1cnccn1)c5c... 0.000

#20 [c-]1c(-c2ccccn2)cc[cH]2->[Ru+2](<-[cH]3ccc(-c4ccccn4)nc3)<-[cH]12 0.000

#20 [c-]1cc[cH]2->[Ru+2]<-[cH]2c1-c1ccccn1 0.000

#20 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5nnc(-c6c[n]->1ccn6)nc5c1cccc5... 0.000

#21 [c-]1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1cc2)c[cH]->34 0.000

#21 [c-]1c[cH]2->[Ru+2]3<-[cH]2cc1-c1cccc[n]->31 0.000

#21 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[cH]2c3cccc4c5nnc(-c6cnccn6)nc5c5cccc(c5... 0.000

#22 [c-]1ccccc1-c1cc[cH](->[Ru+2]2<-[cH]3cc4c5nnc(-c6cnccn6)nc5c5cccc6ccc(c4c65)[cH]... 0.000

#22 [c-]1c[cH]2->[Ru+2]<-[cH]2cc1-c1ccccn1 0.000

#22 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[c]23cccc4ccc5cccc(c6nnc(-c7cnccn7)nc62)... 0.000

#23 [c-]1cc[cH](->[Ru+2]2<-[cH]3cnc(-c4ccccn4)c[cH]->23)cc1-c1ccccn1 0.000

#23 [c-]1c2-c3nccc[cH]3->[Ru+2]3<-[cH]1[cH]->3cc2 0.000

#23 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5nc(-c6c[n]->1ccn6)nnc5c1cccc5... 0.000

#24 [c-]1c[cH]2->[Ru+2](<-[cH]2cc1-c1ccccn1)<-[n]1ccccc1-c1ccccn1 0.000

#24 [c-]1cc[cH]2->[Ru+2]3<-[cH]4ccnc(-c1c2)[cH]->34 0.000

#24 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5cccc6c7nnc(-c8c[n]->1ccn8)n... 0.000

#25 [c-]1ccccc1-c1c[cH]2->[Ru+2](<-[cH]2cn1)<-[n]1ccncc1-c1nnc2c3cccc4ccc5cccc(c2n1)... 0.000

#25 [c-]1c[cH]2->[Ru+2]3<-[cH]4ccnc(-c1cc2)[cH]->34 0.000

#25 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5cccc6c7nc(-c8c[n]->1ccn8)nn... 0.000

#26 [c-]1cc[cH]2->[Ru+2](<-[cH]2c1-c1ccccn1)<-[n]1ccncc1-c1nnc2c3cccc4ccc5cccc(c2n1)... 0.000

#26 [c-]1c[cH]2->[Ru+2]3<-[cH]4cnc(-c1cc2)c[cH]->34 0.000

#26 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[c]23cccc4ccc5cccc(c6nc(-c7cnccn7)nnc62)... 0.000

#27 [c-]1cc[cH]2->[Ru+2]3<-[cH]4ccc(-c1[cH]->32)nc4 0.000

#27 [Ru+2]<-[cH]1ccc(-c2[c-]cccc2)nc1 0.000

#27 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[n]2ccnc(-c3nnc4c5cccc6ccc7cccc(c7c65)c4... 0.000

#28 [c-]1ccccc1-c1ncc[cH]2->[Ru+2](<-[cH]3ccnc(-c4ccccn4)c3)<-[cH]12 0.000

#28 [c-]1c2-c3c[cH](->[Ru+2]4<-[cH]1[cH]->4cc2)ccn3 0.000

#28 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2c4cccc5c6nnc(-c7cncc[n]->17)nc6c1c... 0.000

#29 [c-]1c[cH]2->[Ru+2](<-[cH]2cc1-c1ccccn1)<-[n]1c(-c2cnccn2)nnc2c3cccc4ccc5cccc(c5... 0.000

#29 [c-]1cc[cH]2->[Ru+2]3<-[cH]4cnc(-c1c2)c[cH]->34 0.000

#29 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21[CH]2c3cccc4c5nnc(-c6cnccn6)nc5c5cccc(c5c3... 0.000

#30 [c-]1c[cH]2->[Ru+2](<-[cH]3cc4ccc5cccc6c7nnc(-c8cnccn8)nc7c(c3)c4c56)<-[cH]2cc1-... 0.000

#30 [Ru+2]<-[cH]1cc[c-]c(-c2ccccn2)c1 0.000

#30 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[c]23cccc4c5nc(-c6cnccn6)nnc5c5cccc(cc2)... 0.000

#31 [c-]1cc[cH]2->[Ru+2](<-[cH]3ccc4ccc5cccc6c7nc(-c8cnccn8)nnc7c3c4c56)<-[cH]2c1-c1... 0.000

#31 [Ru+2]<-[cH]1c[c-]c(-c2ccccn2)cc1 0.000

#31 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[c]23cccc4c5nnc(-c6cnccn6)nc5c5cccc(cc2)... 0.000

#32 [Ru+2]<-[cH]1ccnc(-c2[c-]cccc2)c1 0.000

#32 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+]213<-[cH]2c4ccc5cccc6c7nnc(-c8cnccn8)nc7c(c4c... 0.000

#33 [Ru+2]<-[cH]1cccnc1-c1[c-]cccc1 0.000

#33 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[cH]2cc3c4nc(-c5cnccn5)nnc4c4cccc5ccc(c3... 0.000

#34 [c-]1cc[cH]2->[Ru+2]3<-[cH]4ccc(-c1[cH]->32)nc4 0.000

#34 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[cH]2cc3c4nnc(-c5cnccn5)nc4c4cccc5ccc(c3... 0.000

#35 [c-]1ccc[cH]2->[Ru+2]3<-[cH]4ccnc(-c12)[cH]->34 0.000

#35 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[n]1ccncc1-c1nnc2c3cccc4ccc5cccc(c2n1)c5c... 0.000

#36 [c-]1c[cH]2->[Ru+2]3<-[cH]4ccc(-c1c[cH]->32)nc4 0.000

#36 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+]213<-[cH]2c4ccc5cccc6c7nc(-c8cnccn8)nnc7c(c4c... 0.000

#37 [c-]1cc[cH]2->[Ru+2]3<-[cH]4cccnc4-c1[cH]->32 0.000

#37 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[cH]2cc3ccc4cccc5c6nnc(-c7cnccn7)nc6c(c3... 0.000

#38 [Ru+2]<-[cH]1ccc[c-]c1-c1ccccn1 0.000

#38 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21<-[cH]2cc3ccc4cccc5c6nc(-c7cnccn7)nnc6c(c3... 0.000

#39 [c-]1c[cH]2->[Ru+2]3<-[cH]4cccnc4-c1c[cH]->32 0.000

#39 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21[CH]2C=c3c4nc(-c5cnccn5)nnc4c4cccc5ccc(c3c... 0.000

#40 [c-]1cc[cH]2->[Ru+2]3<-[cH]4ccnc(-c1[cH]->32)c4 0.000

#40 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21[CH]2C=c3c4nnc(-c5cnccn5)nc4c4cccc5ccc(c3c... 0.000

#41 [c-]1c[cH]2->[Ru+2]3<-[cH]4ccnc(-c1c[cH]->32)c4 0.000

#41 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2c4cccc5c6nnc(-c7cnccn7)[n]->1c6c1c... 0.000

#42 [c-]1ccc[cH]2->[Ru+2]3<-[cH]4cnc(-c12)c[cH]->34 0.000

#42 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5nnc(-c6cncc[n]->16)nc5c1cccc5... 0.000

#43 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5nc(-c6cncc[n]->16)nnc5c1cccc5... 0.000

#44 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5cccc6c7nnc(-c8cncc[n]->18)n... 0.000

#45 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5cccc6c7nc(-c8cncc[n]->18)nn... 0.000

#46 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21[CH]2C=c3ccc4cccc5c6nnc(-c7cnccn7)nc6c(c3c... 0.000

#47 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]21[CH]2C=c3ccc4cccc5c6nc(-c7cnccn7)nnc6c(c3c... 0.000

#48 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[n]1c(-c2cnccn2)nnc2c3cccc4ccc5cccc(c5c43... 0.000

#49 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5nc(-c6cnccn6)nnc5c5cccc6c5c4c... 0.000

#50 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5nnc(-c6cnccn6)nc5c5cccc6c5c4c... 0.000

#51 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5cccc6c7nnc(-c8cnccn8)[n]->1... 0.000

#52 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[cH]1ccc2c3nc(-c4cnccn4)nnc3c3cccc4ccc1c2... 0.000

#53 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[cH]1ccc2c3nnc(-c4cnccn4)nc3c3cccc4ccc1c2... 0.000

#54 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[cH]1cc2cccc3c4nc(-c5cnccn5)nnc4c4cccc1c4... 0.000

#55 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[cH]1cc2cccc3c4nnc(-c5cnccn5)nc4c4cccc1c4... 0.000

#56 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5c6c(cccc6c6nnc(-c7cnccn7)[n]-... 0.000

#57 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5cccc6c5c4c(c4nnc(-c5cnccn5)... 0.000

#58 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5nnc(-c6cnccn6)[n]->1c5c1cccc5... 0.000

#59 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4c5nc(-c6cnccn6)nnc5c5c[cH]->1[... 0.000

#60 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4c5nnc(-c6cnccn6)nc5c5c[cH]->1[... 0.000

#61 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4c5nnc(-c6cnccn6)nc5c5c6c(ccc2c... 0.000

#62 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5c(c[cH]->1[cH]->34)c1nnc(-c3c... 0.000

#63 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c5c(c[cH]->1[cH]->34)c1nc(-c3cn... 0.000

#64 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4c5nc(-c6cnccn6)nnc5c5c6c(ccc2c... 0.000

#65 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[cH]1cc2ccc3cccc4c5nc(-c6cnccn6)nnc5c(c1)... 0.000

#66 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[cH]1ccc2ccc3cccc4c5nnc(-c6cnccn6)nc5c1c2... 0.000

#67 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[cH]1cc2ccc3cccc4c5nnc(-c6cnccn6)nc5c(c1)... 0.000

#68 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c[cH]->1[cH]->3c1c3nc(-c5cnccn5... 0.000

#69 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5c6c(c[cH]->1[cH]->35)c1nc(-... 0.000

#70 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5c6c(c[cH]->1[cH]->35)c1nnc(... 0.000

#71 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4c[cH]->1[cH]->3c1c3nnc(-c5cnccn... 0.000

#72 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4c5c6c(cccc6[cH]->1[cH]->34)c1n... 0.000

#73 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5c[cH]->1[cH]->3c1c3nc(-c6cn... 0.000

#74 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]2<-[cH]1ccc2ccc3cccc4c5nc(-c6cnccn6)nnc5c1c2... 0.000

#75 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4c5c6c(cccc6[cH]->1[cH]->34)c1n... 0.000

#76 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4ccc5c[cH]->1[cH]->3c1c3nnc(-c6c... 0.000

#77 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4ccc5c6c(c[cH]->1[cH]->35)c1nnc... 0.000

#78 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4cccc5c6nnc(-c7cnccn7)nc6c6c(c45... 0.000

#79 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4ccc5c[cH]->1[cH]->3c1c3nc(-c6c... 0.000

#80 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4ccc5c[cH]->1[cH]->3c1c3nnc(-c6... 0.000

#81 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2cc4cccc5c6nc(-c7cnccn7)nnc6c6c(c45... 0.000

#82 [C-]1=C(c2ccccn2)C=C[CH]2[CH]1[Ru+2]213<-[cH]2ccc4ccc5c6c(c[cH]->1[cH]->35)c1nc(... 0.000

Sequential multi-lig (v2) — 409 candidates

Pred: {"N": 6}