← сравнение complex #6095 3D Viewer

Complex #6095 — Ir(3)

GT: {"N": 2} · Δ = +0.00
{"N": 2}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 198 candidates
Pred: C:6(eta)
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
Sequential multi-lig (v2) — 198 candidates
Pred: {"N": 1}
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#2 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ir+2]2345 0.964
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#3 Cc1[c-](C)[c]2(C)->[Ir+2]3<-[c]1(C)[c]->32C 0.013
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#4 Clc1ccccc1[S](->[Ir+3])CCn1cccn1 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#5 Clc1ccccc1SCCn1ccc[n]1->[Ir+3] 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#6 Clc1c[cH]2->[Ir+2]3<-[cH](c1SCCn1cccn1)[cH]->32 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#7 Clc1ccccc1[S]1CCn2ccc[n]2->[Ir+3]<-1 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#8 Clc1c(SCCn2cccn2)c[cH]2->[Ir+2]3<-[cH]1[cH]->32 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#9 Clc1ccccc1SCCn1c[cH](->[Ir+3])cn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#10 Clc1cc[cH]2->[Ir+3]<-[cH]2c1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#11 Clc1cc[cH](->[Ir+3])cc1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#12 Clc1ccc[cH](->[Ir+3])c1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#13 Clc1c[cH](->[Ir+3])ccc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#14 Clc1c[cH]2->[Ir+3]<-[cH]2cc1SCCn1cccn1 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#15 Clc1c(SCCn2cccn2)cc[cH]2->[Ir+3]<-[cH]12 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#16 Clc1c(SCCn2cccn2)ccc[cH]1->[Ir+3] 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#17 Clc1cc[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1[cH]->32)c4 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#18 ClC1=C(SCCn2cccn2)[CH]2[Ir+3][CH]2C=C1 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#19 Clc1c[cH]2->[Ir+3]3<-[cH]4cnn(CCSc1c[cH]->32)c4 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#20 ClC1=C(SCCn2cccn2)C=C[CH]2[Ir+3][CH]12 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#21 Clc1c2SCCn3c[cH](->[Ir+3]4<-[cH](cc2)[cH]->41)cn3 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#22 Clc1c(SCCn2cccn2)[cH]2->[Ir+3]34<-[cH]1[cH]->3[cH]->42 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000
#23 ClC1=C(SCCn2cccn2)[CH]2[CH]3[CH]4[CH]1[Ir+3]243 0.000