aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43111 | 2.47 | 309.35 | C15H11ON5S | O=C(Nc1ccc(S)cc1)c1cnc(-c2ncccn2)nc1 |
|
AD43112 | 1.9 | 312.37 | C18H20O3N2 | CC(NC(=O)c1ccccc1C(=O)NCCO)c1ccccc1 |
|
AD43113 | 2.86 | 308.38 | C13H12O3N2S2 | CCOC(=O)c1nc(C(=O)Nc2ccc(S)cc2)cs1 |
|
AD43114 | 2.02 | 281.3 | C14H13ON6 | Cc1cccc(CNC(=O)Nc2ncnc3c2N=C[N]3)c1 |
|
AD43115 | 2.74 | 360.19 | C14H12ON6Br | Cc1cccc(CNC(=O)Nc2ncnc3c2N=C(Br)[N]3)c1 |
|
AD43116 | 2.87 | 297.43 | C11H11ON3S3 | Cc1nnc(SCC(=O)Nc2ccc(S)cc2)s1 |
|
AD43117 | 2.09 | 217.12 | C12H12NCl2 | [NH3+]C1CCc2cc(Cl)cc(Cl)c2C1 |
|
AD43118 | 3.23 | 313.43 | C17H19ON3S | O=C(Nc1ccc(S)cc1)C1CCCN(c2ccccn2)C1 |
|
AD43119 | 1.16 | 164.21 | C9H12ON2 | Cc1cccc(CNC(N)=O)c1 |
|
AD43120 | 2.57 | 312.19 | C11H10ON3SBr | O=C(Cn1cc(Br)cn1)Nc1ccc(S)cc1 |