Entry,SMILES,% of BAM15 OCRa,"EC50, µM"
 7a,OC1=C(NC2=CC=CC=C2)C=NC3=NON=C13,40,59 ± 3.4
7b,OC1=C(NC2=CC=C(C)C=C2)C=NC3=NON=C13,38,49
7c,OC1=C(NC2=CC=C(CC)C=C2)C=NC3=NON=C13,50,14 ± 1.7
7d,OC1=C(NC2=CC=C(CCCC)C=C2)C=NC3=NON=C13,19,1 .0 ± 0.1
7e,OC1=C(NC2=CC=C(C(C)(C)C)C=C2)C=NC3=NON=C13,7,2 ± 0.4
 7f,OC1=C(NC2=CC=C(OCCCC)C=C2)C=NC3=NON=C13,20,6  ±
7g,OC1=C(NC2=CC=C(C(C)(C#N)C)C=C2)C=NC3=NON=C13,10,>100
7h,OC1=C(NC2=CC=C(SC(F)(F)F)C=C2)C=NC3=NON=C13,38,6 ± 0.4
7i,OC1=C(NC2=CC=C(C#N)C=C2)C=NC3=NON=C13,NA,NA
7j,OC1=C(NC2=CC=C(C(C)=O)C=C2)C=NC3=NON=C13,NA,NA
7k,OC1=C(NC2=CN=C(F)C=C2)C=NC3=NON=C13,NA,NA
7l,OC1=C(C2=CN=C(C(F)(F)F)C=C2)C=NC3=NON=C13,NA,NA
 7m,OC1=C(NC2=C(F)C=CC=C2)C=NC3=NON=C13,69,32 ± 1.8
7n,OC1=C(NC2=CC(F)=CC=C2)C=NC3=NON=C13,55,51 ± 2.6
7o,OC1=C(NC2=CC=C(F)C=C2)C=NC3=NON=C13,32,>100 
7p,OC1=C(NC2=C(Cl)C=CC=C2)C=NC3=NON=C13,69,27 ± 1.9
7q,OC1=C(NC2=CC=CC=C2C(F)(F)F)C=NC3=NON=C13,57,34 ±4.0
7r,OC1=C(NC2=CC=CC(C(F)(F)F)=C2)C=NC3=NON=C13,48,22 ± 1.8
7s,OC1=C(NC2=CC=C(C(F)(F)F)C=C2)C=NC3=NON=C13,43,35 ± 1.7
7t,OC1=C(NC2=C(F)C(F)=CC=C2)C=NC3=NON=C13,60,64 ± 3.3
7u,OC1=C(NC2=C(F)C=C(F)C=C2)C=NC3=NON=C13,83,40 ± 1.9
7v,OC1=C(NC2=CC(F)=CC=C2F)C=NC3=NON=C13,69,64 ± 5.3
7w,OC1=C(NC2=C(F)C=CC=C2F)C=NC3=NON=C13,54,52 ± 8.8
7x,OC1=C(NC2=CC=C(F)C(F)=C2)C=NC3=NON=C13,55,63 ± 3.7
7y,OC1=C(NC2=C(F)C(F)=C(F)C=C2)C=NC3=NON=C13,68,44 ± 3.6
7z,OC1=C(NC2=C(F)C(F)=C(F)C(F)=C2F)C=NC3=NON=C13,50,18 ± 2.4
7aa,OC1=C(NC2=CC=CC(Cl)=C2F)C=NC3=NON=C13,68,32 ± 1.9
7ab,OC1=C(NC2=CC=CC(C(F)(F)F)=C2F)C=NC3=NON=C13,71,43 ± 5.2
7ac,OC1=C(NC2=CC(C(F)(F)F)=CC=C2F)C=NC3=NON=C13,55,11 ± 6.7
7ad,OC1=C(NC2=C(F)C=CC=C2C(F)(F)F)C=NC3=NON=C13,55,28 ± 3.9
7ae,OC1=C(NC2=C(F)C=C(F)C(C(F)(F)F)=C2)C=NC3=NON=C13,48,40 ± 4.5
7af,OC1=C(NC2=CC(F)=CC=C2C(F)(F)F)C=NC3=NON=C13,54,25 ± 12
7ag,OC1=C(NC2=CC(F)=CC(C(F)(F)F)=C2)C=NC3=NON=C13,38,40 ± 0.9
 7ah,OC1=C(NC(C(F)=C2)=CC=C2C3=CC=CC=C3)C=NC4=NON=C14,10,2.0 ± 0.5
7ai,OC1=C(NC2=CC=CC(C3=CC=CC=C3)=C2)C=NC4=NON=C14,NA,NA
7aj,OC1=C(NC2=CC=CC=C2C3=CC=CC=C3)C=NC4=NON=C14,20,6.0 ± 1.2
 7ak,OC1=C(NC(C=C2)=CC=C2C3=CC=CC=C3F)C=NC4=NON=C14,NA,NA
7al,OC1=C(NC(C=C2)=CC=C2C3=CC=CC(F)=C3)C=NC4=NON=C14,36,1.2 ± 0.1
SHO1122147,OC1=C(NC(C=C2)=CC=C2C3=CC=CC(Cl)=C3)C=NC4=NON=C14,55,3.6 ± 0.1
7an,OC1=C(NC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)C=C2)C=NC4=NON=C14,25,0.5 ± 0.1
 7ao,OC1=C(NC2=CC=C(C3=CC=C(F)C=C3)C=C2)C=NC4=NON=C14,60,1.7 ± 0.2
7ap,OC1=C(NC(C=C2)=CC=C2C3=CC=C(Cl)C=C3)C=NC4=NON=C14,57,0.9 ± 0.1
7aq,OC1=C(NC2=CC=C(C3=CC=C(C(F)(F)F)C=C3)C=C2)C=NC4=NON=C14,NA,NA
 7ar,OC1=C(NC2=CC=C(C3=CN=C(C(F)(F)F)C=C3)C=C2)C=NC4=NON=C14,17,7.0 ± 1.9
 7as,OC1=C(NC(C=C2)=CC=C2C3=C(F)C(F)=CC=C3)C=NC4=NON=C14,NA,NA
7at,OC1=C(NC(C=C2)=CC=C2C3=CC=CC(Cl)=C3Cl)C=NC4=NON=C14,NA,NA
7au,OC1=C(NC(C=C2)=CC=C2C3=CC(F)=C(F)C=C3)C=NC4=NON=C14,NA,NA
 7av,OC1=C(NC(C=C2)=CC=C2C3=C(F)C=CC(F)=C3)C=NC4=NON=C14,NA,NA
 7aw,OC1=C(NC2=CC=C(C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C=C2)C=NC4=NON=C14,20,41 ± 4.9
7ax,OC1=C(NC2=CC(C=CC=C3)=C3C=C2)C=NC4=NON=C14,48,13 ± 1.2
 7ay,OC1=C(NC2=CC(C(C)(C)C3=C4C=CC=C3)=C4C=C2)C=NC5=NON=C15,NA,NA  
 9a ,OC1=C(C2=CC=CC=C2F)C=NC3=NON=C13,69,27 ± 2.8
 9b,OC1=C(C2=C(Cl)C=CC=C2)C=NC3=NON=C13,49,85 ± 16.4
 9c,OC1=C(C2=CC(Cl)=CC=C2)C=NC3=NON=C13,61,25 ± 3.1
 9d,OC1=C(C2=CC(C(F)(F)F)=CC=C2)C=NC3=NON=C13,59,26 ± 4.5
 9e,OC1=C(C2=CC=C(Cl)C=C2)C=NC3=NON=C13,52,12 ± 0.6
 9f,OC1=C(C2=CC=CC(OC(F)(F)F)=C2)C=NC3=NON=C13,37,15 ± 2.5
 9g,OC1=C(C2=CC=CS2)C=NC3=NON=C13,36,40 ± 0.3
9h,OC1=C(C2=CC=C(C3=CC=C(F)C=C3)C=C2)C=NC4=NON=C14,NA,NA
,,,