Paper no,SMILES,EGFR pIC50,Cellular pEGFR pIC50,pGI50
11,FC1=CC=C(OC(/C=C/N2C(NC=C(F)C2=O)=O)=O)C=C1,,,
12,ClC1=CC=C(OC(/C=C/N2C(NC=C(F)C2=O)=O)=O)C=C1,,,
13,COC1=CC=C(OC(/C=C/N2C(NC=C(F)C2=O)=O)=O)C=C1,,,
14,N#CC1=CC=C(OC(/C=C/N2C(NC=C(F)C2=O)=O)=O)C=C1,,,
17,COCCOCCOC1=CC=C(NC(/C=C/N2C(NC=C(F)C2=O)=O)=O)C=C1,,,
21,COCCOCCOC1=CC=C(NC(/C=C/N2C(NC=C(F)C2=O)=O)=O)C=C1,,,
24,O=C(/C=C/N1C(NC=C(F)C1=O)=O)CC2=CC=CC=C2,,,
30,ClC1=CN=C(NC2=C(OC)C=CC(NC(/C=C/N3C(C(F)=CNC3=O)=O)=O)=C2)N=C1C4=C5N(C=CC=C5)N=C4,,,
35,COC1=C(NC2=NC(C3=CN(C)C4=C3C=CC=C4)=CC=N2)C=C(OC(/C=C/N5C(C(F)=CNC5=O)=O)=O)C(F)=C1,,,
39,CN(C1=C2C=CC=C1)C=C2C3=CC=NC(NC4=CC(OC(/C=C/N5C(C(F)=CNC5=O)=O)=O)=CC=C4[N+]([O-])=O)=N3,,,
48,FC(C=C1)=C(Cl)C=C1NC2=NC=NC3=CC(OC)=C(OC4CN(C(/C=C/N5C(C(F)=CNC5=O)=O)=O)C4)C=C32,,,
49,FC(C=C1)=C(Cl)C=C1NC2=NC=NC3=CC(OC)=C(O[C@@H]4CCN(C4)C(/C=C/N5C(C(F)=CNC5=O)=O)=O)C=C32,,,
50,FC(C=C1)=C(Cl)C=C1NC2=NC=NC3=CC(OC)=C(O[C@H]4CCN(C4)C(/C=C/N5C(C(F)=CNC5=O)=O)=O)C=C32,,,
51,FC(C=C1)=C(Cl)C=C1NC2=NC=NC3=CC(OC)=C(OC4CCN(CC4)C(/C=C/N5C(C(F)=CNC5=O)=O)=O)C=C32,,,
53,[O]C1=C(OC(/C=C/N2C(C(F)=CNC2=O)=O)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1,6.8 +/- 0.065,7.8,6.4
56,FC(C=C1)=C(Cl)C=C1NC2=NC=NC3=CC(OC)=C(OC(/C=C/CN4CCCCC4)=O)C=C32,8.1 +/- 0.82,5.3,<5.0
57,FC(C(Cl)=C1)=CC=C1NC2=NC=NC3=CC(OC)=C(NC(/C=C/N4C(NC=C(F)C4=O)=O)=O)C=C32,7.3 +/- 0.19,5.6,<5.0