Compare #259 — BiometalDB

{"N": 6}

Ground Truth

0.833

Single-lig

0.333

Sequential

-0.500

Δ Sequential

Single-ligand (v1) — 393 candidates

Pred: {"N": 5}

#2 c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]34(<-[n]5cccc6c5c5ncccc5c5c6[n]->3c3ccccc3[... 0.151

#2 c1ccc2nc3c4ccc[n]5->[Ru+2]<-[n]6cccc(c3nc2c1)c6c45 0.990

#2 c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2c1)c9c45)<-[n]1cccc2c1c1c(ccc[n]->... 0.350

#2 c1ccc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2c1)c%10c45)(<-[n]1cccc2c1c1c(cc... 0.540

#3 c1ccc2nc3c4ccc[n](->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10nc9c9cccnc9c87)<-[n]7cccc... 0.060

#3 c1cnc2c(c1)c1c(c3cccnc32)[n]2->[Ru+2]<-[n]1c1ccccc12 0.500

#3 c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2c1)c9c45)[CH]1c2nc3c4cccnc4c4ncccc... 0.220

#3 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10%11(<-[n]%12cccc(c3nc2c1)c%12c45)(<-[n]1cccc2c1... 0.460

#4 c1ccc2nc3c4ccc[n](->[Ru+2]567<-[n]8cccc9c8c8c(ccc[n]->58)c5c9[n]->6c6ccccc6[n]->... 0.053

#4 c1ccc2c(c1)[n]1->[Ru+2]34<-[n]5cccc6c5c5c(ccc[n]->35)c(c61)[n]->42 0.210

#4 c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1c2ccccc2[n]->6c2c3ccc... 0.170

#4 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[n]%11cccc%12c%11c%11ncccc%11c%11c%12[n]->6c... 0.430

#5 c1ccc2c(c1)nc1c3cccnc3c3ncccc3c1[n]2->[Ru+2]1(<-[n]2cccc3c2c2ncccc2c2nc4ccccc4[n... 0.039

#5 [Ru+2]<-[n]1cccc2c3nc4ccccc4nc3c3cccnc3c21 0.040

#5 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc9c8c8ncccc8c8c9[n]->6c6ccccc6[n]->78)<-[n... 0.130

#5 c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[n]9cccc(c3nc2c1)c9c45)(<-[n]1cccc2c1c1c(ccc[n]-... 0.410

#6 [Ru+2]<-[n]1cccc2c3nc4ccccc4nc3c3cccnc3c21 0.029

#6 c1cnc2c(c1)c1c3c4ccc[n](->[Ru+2]5<-[n]1c1ccccc1[n]->53)c42 0.030

#6 c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc(c3nc2c1)c7c45)<-[n]1cccc2c3nc4ccccc4nc3c3... 0.130

#6 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[n]%11cccc(c3nc2c1)c%11c45)(<-[n]1cccc2c3nc4... 0.330

#7 c1ccc2nc3c4ccc[n](->[Ru+2]5(<-[n]6cccc7c6c6ncccc6c6nc8ccccc8[n]->5c76)<-[n]5c6cc... 0.022

#7 [Ru+2]<-[n]1c2ccccc2nc2c3cccnc3c3ncccc3c21 0.020

#7 C1=Nc2c(c3nc4ccccc4nc3c3cccnc23)[CH]2[CH]1[Ru+2]21<-[n]2cccc3c4nc5ccccc5nc4c4ccc... 0.130

#7 c1ccc2nc3c4ccc[n](->[Ru+2]5678(<-[n]9cccc%10c%11nc%12ccccc%12nc%11c%11ccc[n]->5c... 0.290

#8 c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8c7c7ncccc7c7nc9ccccc9[n]->6c87)<-[n]6cccc... 0.020

#8 c1ccc2c(c1)nc1c3ccc[n]4->[Ru+2]5<-[n]6cccc(c6c34)c1[n]->52 0.010

#8 c1ccc2nc3c4ccc[n](->[Ru+2]5<-[n]6cccc7c8nc9ccccc9nc8c8ccc[n]->5c8c76)c4c4ncccc4c... 0.060

#8 c1ccc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc%11c%12nc%13ccccc%13[n]->6c%12c6cccnc... 0.280

#9 c1ccc2nc3c4ccc[n](->[Ru+2]56<-[n]7cccc8c7c7ncccc7c7c8[n]->5c5ccccc5[n]->67)c4c4n... 0.016

#9 c1ccc2c(c1)nc1c3cccnc3c3c4ccc[n]3->[Ru+2]<-[n]2c41 0.010

#9 C1=C[CH]2[CH](c3nc4c5cccnc5c5ncccc5c4nc31)[Ru+2]21<-[n]2cccc3c4nc5ccccc5nc4c4ccc... 0.030

#9 c1ccc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc%11c%10c%10ncccc%10c%10nc%12ccccc%12[... 0.270

#10 [Ru+2]<-[n]1c2ccccc2nc2c3cccnc3c3ncccc3c21 0.006

#10 c1ccc2c(c1)nc1c3ccc[n]4->[Ru+2]<-[n]2c1c1cccnc1c34 0.000

#10 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[n]8cccc(c3nc2c1)c8c45)<-[n]1cccc2c3nc4ccccc4[n]-... 0.030

#10 c1ccc2nc3c4ccc[n]5->[Ru+2]6789(<-[n]%10cccc(c3nc2c1)c%10c45)(<-[n]1cccc2c3nc4ccc... 0.230

#11 c1ccc2c(c1)nc1c3cccnc3c3c4ccc[n]3->[Ru+2]3(<-[n]5cccc6c5c5ncccc5c5nc7ccccc7[n]->... 0.003

#11 C1=C[CH]2[Ru+2][CH]2c2nc3c4cccnc4c4ncccc4c3nc21 0.000

#11 c1ccc2nc3c4ccc[n]5->[Ru+2](<-[n]6cccc(c3nc2c1)c6c45)<-[n]1c2ccccc2nc2c3cccnc3c3n... 0.020

#11 C1=Nc2c(c3nc4ccccc4nc3c3cccnc23)[CH]2[CH]1[Ru+2]21345(<-[n]2cccc6c7nc8ccccc8nc7c... 0.220

#12 c1ccc2c(c1)nc1c3ccc[n]4->[Ru+2]56(<-[n]7cccc8c9nc%10ccccc%10[n]->5c9c5ccc[n]->6c... 0.002

#12 C1=Nc2c(c3nc4ccccc4nc3c3cccnc23)[CH]2[Ru+2][CH]12 0.000

#12 c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8c7c7ncccc7c7nc9ccccc9[n]->6c87)<-[n]6cccc... 0.010

#12 c1ccc2nc3c4ccc[n]5->[Ru+]6789%10(<-[cH]%11cc%12nc%13c%14cccnc%14c%14ncccc%14c%13... 0.200

#13 c1ccc2c(c1)nc1c3ccc[n]4->[Ru+2]5(<-[n]6cccc7c6c6ncccc6c6nc8ccccc8[n]->5c76)<-[n]... 0.002

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

#13 c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[n]7cccc8c9nc%10ccccc%10[n]->6c9c6cccnc6c87)<-[n]6... 0.000

#13 C1=C[CH]2[CH](c3nc4c5cccnc5c5ncccc5c4nc31)[Ru+2]21345(<-[n]2cccc6c7nc8ccccc8nc7c... 0.070

#14 c1ccc2c(c1)nc1c3cccnc3c3ncccc3c1[n]2->[Ru+2]<-[n]1c2ccccc2nc2c3cccnc3c3ncccc3c21 0.000

#14 c1cnc2c(c1)c1nc3c4cc[cH]5->[Ru+2](<-[cH]35)<-[n]3cccc(c1n4)c23 0.000

#14 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c(c%10nc%11ccccc%11nc%10c%10ccc[n]->6c%1... 0.000

#14 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10%11(<-[n]%12cccc(c3nc2c1)c%12c45)(<-[n]1cccc2c1... 0.050

#15 c1cnc2c(c1)c1nc3cc[cH]4->[Ru+2]<-[cH]4c3nc1c1cccnc12 0.000

#15 c1cnc2c(c1)c1nc3cc[cH]4->[Ru+2]5<-[cH]4c3nc1c1ccc[n]->5c12 0.000

#15 c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[cH]9c%10nc%11c%12cccnc%12c%12ncccc%12c%11nc%10[... 0.000

#15 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c%13ncccc%13c%13nc%14ccccc%14[n... 0.030

#16 c1ccc2c(c1)nc1c3cccnc3c3nc[cH]4->[Ru+2]5<-[cH]4c3c1[n]->52 0.000

#16 c1cnc2c(c1)c1nc3cc[cH]4->[Ru+2]<-[cH]4c3nc1c1cccnc12 0.000

#16 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccc9nc%10c%11ccc[n]->6c%11c6ncccc6c%10nc9[cH... 0.000

#16 c1ccc2nc3c4ccc[n]5->[Ru+2]6789(<-[cH]%10cnc%11c%12ncccc%12c%12nc%13ccccc%13nc%12... 0.010

#17 c1ccc2nc3c4ccc[n](->[Ru+2]5<-[cH]6cnc7c8ncccc8c8nc9ccccc9nc8c7[cH]->56)c4c4ncccc... 0.000

#17 c1ccc2c(c1)nc1c3cccnc3c3nc[cH]4->[Ru+2]5<-[cH]4c3c1[n]->52 0.000

#17 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccc9nc%10c%11cccnc%11c%11c(ccc[n]->6%11)c%10... 0.000

#17 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccc%12c(nc%13c%14cccnc%14c%14ncccc%14... 0.010

#18 c1ccc2nc3c4ccc[n](->[Ru+2]5<-[cH]6cc7nc8c9cccnc9c9ncccc9c8nc7c[cH]->56)c4c4ncccc... 0.000

#18 c1ccc2nc3c(nc2c1)c1cccnc1c1nc[cH]2->[Ru+2]<-[cH]2c13 0.000

#18 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c%10ncccc%10c%10nc%11ccccc%11[n]->6c%10c... 0.000

#18 c1ccc2nc3c4ccc[n]5->[Ru+2]6789(<-[cH]%10ccc%11nc%12c%13cccnc%13c%13ncccc%13c%12n... 0.010

#19 c1cnc2c(c1)c1nc3c[cH]4->[Ru+2]<-[cH]4cc3nc1c1cccnc12 0.000

#19 c1cnc2c(c1)c1nc3c[cH]4->[Ru+2]5<-[cH]4cc3nc1c1ccc[n]->5c12 0.000

#19 c1ccc2nc3c4ccc[n]5->[Ru+]67(<-[cH]8cc9nc%10c%11cccnc%11c%11ncccc%11c%10nc9[cH]->... 0.000

#19 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c%13ncccc%13c%13c(nc%14ccccc%14... 0.010

#20 c1cnc2c(c1)c1nc3c(nc1c1cccnc12)[cH]1->[Ru+2]24<-[cH]3[cH]->2[cH]->41 0.000

#20 c1cnc2c(c1)c1nc3c4cc[cH]5->[Ru+2](<-[cH]35)<-[n]4c1c1cccnc12 0.000

#20 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c%10ncccc%10c%10c(nc%11ccccc%11[n]->6%10... 0.000

#20 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c(c%13nc%14ccccc%14nc%13c%13ccc... 0.000

#21 c1cnc2c(c1)c1nc3cc[cH]4->[Ru+2]5<-[cH]6ccnc2c6c1nc3[cH]->54 0.000

#21 c1ccc2c(c1)nc1c3c4nc[cH]5->[Ru+2](<-[cH]35)<-[n]2c1c1cccnc14 0.000

#21 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccc9c(nc%10c%11cccnc%11c%11ncccc%11c%10[n]->... 0.000

#21 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccc%12nc%13c%14cccnc%14c%14c(ccc[n]->... 0.000

#22 c1cnc2c(c1)c1nc3c4cc[cH]5->[Ru+2](<-[cH]6ccnc2c6c1n4)<-[cH]35 0.000

#22 c1cnc2c(c1)c1nc3c[cH]4->[Ru+2]<-[cH]4cc3nc1c1cccnc12 0.000

#22 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cc9nc%10c%11cccnc%11c%11c(ccc[n]->6%11)c%10n... 0.000

#22 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccc%12nc%13c%14ccc[n]->6c%14c6ncccc6c... 0.000

#23 c1cnc2c(c1)c1nc3ccc[cH]4->[Ru+2]5<-[cH]6cnc2c(c1nc34)[cH]->56 0.000

#23 c1cnc2c(c1)c1nc3c[cH]4->[Ru+]5<-[cH](c3nc1c1cccnc12)[cH]->54 0.000

#23 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cc9nc%10c%11cccnc%11c%11ncccc%11c%10[n]->6c9... 0.000

#23 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10%11(<-[cH]%12c%13nc%14c%15cccnc%15c%15ncccc%15c... 0.000

#24 c1cnc2c(c1)c1nc3c4ccc[cH]3->[Ru+2]3<-[cH]5cnc2c(c1n4)[cH]->35 0.000

#24 c1cnc2c(c1)c1nc3c[cH]4->[Ru+2]5<-[cH]4cc3[n]->5c1c1cccnc12 0.000

#24 c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[cH]7cnc8c9ncccc9c9nc%10ccccc%10nc9c8[cH]->67)<-[n... 0.000

#24 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cc%12nc%13c%14cccnc%14c%14ncccc%14c%1... 0.000

#25 c1cnc2c(c1)c1nc3c4cc[cH]5->[Ru+2](<-[cH]6cnc2c(c6)c1n4)<-[cH]35 0.000

#25 c1cnc2c(c1)c1nc3c(nc1c1cccnc12)[CH]1[CH]2[CH]4[CH]3[Ru+2]142 0.000

#25 c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[cH]7ccc8nc9c%10cccnc%10c%10ncccc%10c9nc8[cH]->67)... 0.000

#25 c1ccc2nc3c4ccc[n]5->[Ru+2]6789(<-[cH]%10cc%11nc%12c%13cccnc%13c%13ncccc%13c%12nc... 0.000

#26 c1ccc2nc3c(nc2c1)c1c[cH]2->[Ru+2]4<-[cH]5cnc(c1nc2)c3[cH]->45 0.000

#26 c1cnc2c(c1)c1nc3c(nc1c1cccnc12)[cH]1->[Ru+2]24<-[cH]3[cH]->2[cH]->41 0.000

#26 c1ccc2nc3c4ccc[n]5->[Ru+2]6(<-[cH]7cc8nc9c%10cccnc%10c%10ncccc%10c9nc8c[cH]->67)... 0.000

#26 c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[cH]9cccc%10nc%11c%12cccnc%12c%12ncccc%12c%11nc%... 0.000

#27 c1cnc2c(c1)c1nc3cc[cH]4->[Ru+2]5<-[cH]6cnc2c(c1nc3c4)[cH]->56 0.000

#27 c1ccc2nc3c(nc2c1)c1c2ncc[cH]1->[Ru+2]1<-[cH]4cnc2c3[cH]->14 0.000

#27 c1ccc2nc3c4c[cH](->[Ru+2]5<-[n]6cccc7c8nc9ccccc9nc8c8ccc[n]->5c8c76)cnc4c4ncccc4... 0.000

#27 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cc%12nc%13c%14cccnc%14c%14c(ccc[n]->6... 0.000

#28 c1ccc2nc3c(nc2c1)c1cccnc1c1ncc[cH](->[Ru+2]2<-[cH]4ccc5nc6c7cccnc7c7ncccc7c6nc5[... 0.000

#28 c1cnc2c(c1)c1nc3cc[cH]4->[Ru+2]5<-[cH]6ccnc2c6c1nc3[cH]->54 0.000

#28 c1ccc2nc3c4ccc[n]5->[Ru+2](<-[cH]6cccc7nc8c9cccnc9c9ncccc9c8nc76)<-[n]6cccc(c3nc... 0.000

#28 c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[cH]9ccnc%10c%11ncccc%11c%11nc%12ccccc%12nc%11c%... 0.000

#29 c1ccc2nc3c(nc2c1)c1cccnc1c1nc[cH]2->[Ru+2](<-[cH]4cccc5nc6c7cccnc7c7ncccc7c6nc54... 0.000

#29 c1cnc2c(c1)c1nc3c4cc[cH]5->[Ru+2](<-[cH]6ccnc2c6c1n4)<-[cH]35 0.000

#29 c1ccc2nc3c4ccc[n]5->[Ru+2](<-[cH]6ccnc7c8ncccc8c8nc9ccccc9nc8c76)<-[n]6cccc(c3nc... 0.000

#29 c1ccc2nc3c4c[cH](->[Ru+2]5678(<-[n]9cccc%10c%11nc%12ccccc%12nc%11c%11ccc[n]->5c%... 0.000

#30 c1ccc2nc3c(nc2c1)c1cccnc1c1nc[cH]2->[Ru+2](<-[cH]4ccc5nc6c7cccnc7c7ncccc7c6nc5c4... 0.000

#30 c1cnc2c(c1)c1nc3ccc[cH]4->[Ru+2]5<-[cH]6cnc2c(c1nc34)[cH]->56 0.000

#30 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccnc9c%10nc[cH]->6[cH]->7c%10c6nc7ccccc7nc6c... 0.000

#30 c1ccc2nc3c4ccc[n]5->[Ru+2]678(<-[cH]9ccc%10nc%11c%12cccnc%12c%12ncccc%12c%11nc%1... 0.000

#31 c1cnc2c(c1)c1nc3cc[cH](->[Ru+2]4<-[cH]5cc6nc7c8cccnc8c8ncccc8c7nc6c[cH]->45)cc3n... 0.000

#31 c1cnc2c(c1)c1nc3c4ccc[cH]3->[Ru+2]3<-[cH]5cnc2c(c1n4)[cH]->35 0.000

#31 c1ccc2nc3c4ccc[n]5->[Ru+2](<-[cH]6ccc7nc8c9cccnc9c9ncccc9c8nc7c6)<-[n]6cccc(c3nc... 0.000

#31 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cccc%12nc%13c%14cccnc%14c%14nc[cH]->6... 0.000

#32 c1cnc2c(c1)c1nc3cc[cH]4->[Ru+2]5<-[cH]6cnc2c(c6)c1nc3[cH]->54 0.000

#32 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cccc9nc%10c%11cccnc%11c%11nc[cH]->6[cH]->7c%... 0.000

#32 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cccc%12nc%13c(nc%12%11)c%11cccnc%11c%... 0.000

#33 c1cnc2c(c1)c1nc3c4cc[cH]5->[Ru+2](<-[cH]6cnc2c(c6)c1n4)<-[cH]35 0.000

#33 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cccc9nc%10c(nc98)c8cccnc8c8nc[cH]->6[cH]->7c... 0.000

#33 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccnc%12c%13nc[cH]->6[cH]->7c%13c6nc7c... 0.000

#34 c1ccc2nc3c(nc2c1)c1c[cH]2->[Ru+2]4<-[cH]5cnc(c1nc2)c3[cH]->45 0.000

#34 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccnc9c%10ncccc%10c%10nc%11cc[cH]->6[cH]->7c%... 0.000

#34 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccnc%12c%13ncccc%13c%13nc%14cc[cH]->6... 0.000

#35 [Ru+2]<-[cH]1cnc2c(c1)c1nc3ccccc3nc1c1cccnc12 0.000

#35 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccnc9c%10ncccc%10c%10nc%11c(cc[cH]->6[cH]->7... 0.000

#35 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccnc%12c%13ncccc%13c%13nc%14c(cc[cH]-... 0.000

#36 c1cnc2c(c1)c1nc3c[cH]4->[Ru+2]5<-[cH]6cnc2c(c1nc3cc4)[cH]->56 0.000

#36 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccnc9c%10ncccc%10c%10nc%11c[cH]->6[cH]->7cc%... 0.000

#36 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c(c%11)c%11nc%13c(cc[cH]->6[cH]... 0.000

#37 c1cnc2c(c1)c1nc3cc[cH]4->[Ru+2]5<-[cH]6cnc2c(c1nc3c4)[cH]->56 0.000

#37 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c(c8)c8nc%10cc[cH]->6[cH]->7c%10nc8c6ccc... 0.000

#37 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c(c%11)c%11nc%13cc[cH]->6[cH]->... 0.000

#38 c1cnc2c(c1)c1nc3c[cH]4->[Ru+2]5<-[cH]6ccnc2c6c1nc3c[cH]->54 0.000

#38 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c(c8)c8nc%10c(cc[cH]->6[cH]->7%10)nc8c6c... 0.000

#38 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c(c%11)c%11nc%13ccccc%13nc%11c%... 0.000

#39 c1cnc2c(c1)c1nc3c[cH]4->[Ru+2]5<-[cH]6cnc2c(c6)c1nc3c[cH]->54 0.000

#39 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c(c8)c8nc%10ccccc%10nc8c8c9nc[cH]->6[cH]... 0.000

#39 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccnc%12c%13ncccc%13c%13nc%14c[cH]->6[... 0.000

#40 [Ru+2]<-[cH]1ccnc2c3ncccc3c3nc4ccccc4nc3c21 0.000

#40 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccc9nc%10c(nc9c8)c8cccnc8c8nc[cH]->6[cH]->7c... 0.000

#40 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccc%12nc%13c(nc%12c%11)c%11cccnc%11c%... 0.000

#41 [Ru+2]<-[cH]1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 0.000

#41 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8ccc9nc%10c%11cccnc%11c%11nc[cH]->6[cH]->7c%1... 0.000

#41 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11ccc%12nc%13c%14cccnc%14c%14nc[cH]->6[... 0.000

#42 [Ru+2]<-[cH]1cccc2nc3c4cccnc4c4ncccc4c3nc21 0.000

#42 c1ccc2nc3c4ccc[n]5->[Ru+2]67(<-[cH]8cnc9c(c8)c8nc%10c[cH]->6[cH]->7cc%10nc8c6ccc... 0.000

#42 c1ccc2nc3c4ccc[n]5->[Ru+2]6789%10(<-[cH]%11cnc%12c(c%11)c%11nc%13c[cH]->6[cH]->7... 0.000

Sequential multi-lig (v2) — 393 candidates

Pred: {"N": 18}