aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11611 | 1.47 | 135.17 | C8H9ON | CC(=O)c1ccc(N)cc1 |
|
AD11612 | 3.09 | 187.63 | C8H3NFClS | Fc1cc(Cl)cc2scnc12 |
|
AD11613 | 2.0 | 232.31 | C12H18N5 | CC(C)N(Cc1ncnc2c1N=C[N]2)C(C)C |
|
AD11614 | 4.69 | 366.87 | C21H15ON2ClS | CC(=O)C1=C(c2ccccc2)NC(S)=C(C#N)C1c1ccc(Cl)cc1 |
|
AD11615 | 3.01 | 587.65 | C28H33O9N3S | CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)CCCS(N)(=O)=O)c1O |
|
AD11616 | 1.94 | 309.4 | C17H21N6 | CC1(C)NC(C)(C)c2cc(NC3NC=NC4=C3N=C[N]4)ccc21 |
|
AD11617 | 0.78 | 163.16 | C7H7ON4 | CCOc1ncnc2c1N=C[N]2 |
|
AD11618 | 4.56 | 264.78 | C15H13OClS | C=CCOc1ccc(Cc2ccsc2Cl)cc1 |
|
AD11619 | 10.57 | 567.98 | C36H73O3N | CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC |
|
AD11620 | -3.82 | 345.4 | C14H27O5N5 | NCC(=O)NCC1=CCC(N)C(OC2C(N)CC(N)C(O)C2O)O1 |