aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD36521 | 1.02 | 238.24 | C11H14O4N2 | CCOC(=O)c1cnc(N)cc1C(=O)OCC |
|
AD36522 | 1.2 | 249.1 | C10H10ON4Cl2 | Nc1c(Cl)nnc(Cl)c1N1CCOCC1 |
|
AD36523 | -0.47 | 255.3 | C10H13O3N3S | Nc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 |
|
AD36524 | 0.99 | 240.65 | C10H9O2N4Cl | COC(=O)c1cc2c(N)nc(Cl)nc2n1C |
|
AD36525 | 1.35 | 259.35 | C10H13O3NS2 | CS(=O)(=O)CCC(=O)Nc1ccc(S)cc1 |
|
AD36526 | -0.6 | 274.3 | C13H16O2N5 | NC(=O)C1=C(NC2=CCN(C(=O)C3CC3)CC2)[N]C=N1 |
|
AD36527 | 0.03 | 288.29 | C13H14O3N5 | CON(C)C(=O)c1cccc(NC2=C(C(N)=O)N=C[N]2)c1 |
|
AD36528 | 1.51 | 239.3 | C11H13O3NS | O=S1(=O)CC=C(Nc2ccc(O)cc2)CC1 |
|
AD36529 | -0.03 | 274.26 | C12H12O3N5 | CCOC(=O)c1ccc(NC2=C(C(N)=O)N=C[N]2)cn1 |
|
AD36530 | 0.63 | 271.3 | C13H15ON6 | O=C1CN(c2ncnc3c2N=C[N]3)C2CCCCC2N1 |