aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43891 | 0.53 | 241.25 | C13H11O2N3 | O=c1[nH]cc(NCC#Cc2ccccc2)c(=O)[nH]1 |
|
AD43892 | 1.82 | 348.4 | C21H20O3N2 | O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCO |
|
AD43893 | 3.15 | 342.47 | C13H20O2N5S2 | CCCCCCCCS(=O)(=O)Nc1[nH]c(=S)nc2c1N=C[N]2 |
|
AD43894 | 0.74 | 163.18 | C8H9ON3 | COc1ccc(N)nc1CC#N |
|
AD43895 | 0.83 | 235.2 | C9H8ON6F | C=CCNC(=O)Nc1nc(F)nc2c1N=C[N]2 |
|
AD43896 | 0.41 | 159.15 | C7H5N5 | N#Cc1nc(N)cc2nc[nH]c12 |
|
AD43897 | 1.02 | 159.19 | C9H9N3 | N#Cc1c(N)ncc2c1CCC2 |
|
AD43898 | 1.02 | 158.16 | C8H6N4 | N#Cc1c[nH]c2ncc(N)cc12 |
|
AD43899 | 2.72 | 360.14 | C13H7N5I | C#Cc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1 |
|
AD43900 | 0.78 | 168.59 | C7H5N4Cl | N#CCc1nc(N)cc(Cl)n1 |