aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04281 | 2.73 | 304.29 | C12H7O2N5FS | O=[N+]([O-])c1ccc(CSc2nc(F)nc3c2N=C[N]3)cc1 |
|
AD04282 | 2.0 | 332.26 | C16H12O8 | COc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 |
|
AD04283 | 0.36 | 169.58 | C6H4N5Cl | Nc1cnn2cnnc2c1Cl |
|
AD04284 | 4.84 | 412.62 | C23H44O4N2 | CCCCCCCCCCCCCCCC(=O)N1C(CCCN)OCC1C(=O)O |
|
AD04285 | 1.81 | 337.32 | C16H13O3N6 | CCNc1nc(C#CC(O)c2ccccc2[N+](=O)[O-])nc2c1N=C[N]2 |
|
AD04286 | 6.28 | 452.64 | C24H44O4N4 | CCCCCCCCCCCCCCCC(=O)N1C(CCCN=[N+]=[N-])OCC1C(=O)OC |
|
AD04287 | 3.49 | 354.38 | C15H31O7P | CCCCCCCCCCCCOC(COP(=O)(O)O)C(=O)O |
|
AD04288 | -2.22 | 188.23 | C2H8O4N2S2 | CNS(=O)(=O)CS(N)(=O)=O |
|
AD04289 | 2.61 | 276.32 | C16H14N5 | CC(C)Nc1nc(C#Cc2ccccc2)nc2c1N=C[N]2 |
|
AD04290 | 1.98 | 371.45 | C21H21N7 | C1=NC2NC=NC2C(NCCc2cn(Cc3ccccn3)c3ccccc23)=N1 |