Compound,SMILES,DC18:1PC ddG_drug sim. (kcal/mol),DC22:1PC ddG_drug exp. (kcal/mol),DC22:1PC ddG_drug exp. (kcal/mol)
Capsaicin,COC1=CC(=CC=C1O)CNC(=O)CCCC\C=C\C(C)C,0.3,-1.4,-0.5
Resveratrol,OC1=CC=C(C=C1)\C=C\C2=CC(=CC(=C2)O)O,0.3,-1.0,-1.7
Octanol,CCCCCCCCO,0.0,-1.0,-0.4
C12E6,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO,0.1,-1.2,-1.4
FC12,CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C,-0.2,-1.9,-0.5
Triton X-100,CCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1,0.4,-2.7,-1.5
Cyclohexane,C1CCCCC1,0.5,0.1,0.0
Cholesterol,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,0.4,0.8,2.5