aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12881 | 3.96 | 433.28 | C17H18N6I | Ic1cccc(CNc2nc(NC3CCCC3)nc3c2N=C[N]3)c1 |
|
AD12882 | 1.89 | 150.24 | C10H16N | C[N+](C)(C)Cc1ccccc1 |
|
AD12883 | 1.78 | 316.36 | C11H12O5N2S2 | COc1cccc2[nH]cc(CC(S)=NOS(=O)(=O)O)c12 |
|
AD12884 | 0.91 | 227.22 | C12H9O2N3 | Cc1ccc(-c2[nH]c(=O)[nH]c(=O)c2C#N)cc1 |
|
AD12885 | -3.37 | 233.27 | C9H19O4N3 | CC(N)C(=O)NC1CC(N)C(O)C(O)C1O |
|
AD12886 | 2.66 | 405.24 | C20H14O3N4Cl2 | OCC(O)C(O)c1nn(-c2ccc(Cl)cc2)c2nc3cc(Cl)ccc3nc12 |
|
AD12887 | 3.99 | 364.53 | C22H36O4 | CC12CCC(O)CC1CCC1C2CCC2(C)C(CCC(=O)O)CCC12O |
|
AD12888 | 1.88 | 284.34 | C15H18ON5 | OC12CC3CC(C1)CC(Nc1ncnc4c1N=C[N]4)(C3)C2 |
|
AD12889 | 1.63 | 163.18 | C8H9ON3 | CCc1conc1-c1ncc[nH]1 |
|
AD12890 | 5.59 | 416.65 | C27H44O3 | CC1CCC2(CO1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C |