aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD43811 | -0.11 | 149.22 | C9H13N2 | Nc1cccc2c1C[NH2+]CC2 |
|
AD43812 | -0.59 | 124.17 | C6H10N3 | Nc1cccc(C[NH3+])n1 |
|
AD43813 | 1.59 | 289.43 | C15H21N4S | Sc1ccc(Nc2cnn(CC[NH+]3CCCC3)c2)cc1 |
|
AD43814 | 0.47 | 240.7 | C10H13N6Cl | CC(C)([NH3+])CNc1nc(Cl)nc2c1N=C[N]2 |
|
AD43815 | 1.83 | 321.49 | C19H33O2N2 | CC[NH+](CC)CCNC(C(=O)OCCC(C)C)c1ccccc1 |
|
AD43816 | 2.3 | 307.46 | C18H31O2N2 | CCCC[NH+](CCCC)CCCOC(=O)c1ccc(N)cc1 |
|
AD43817 | 0.4 | 311.41 | C19H23O2N2 | O=C(NCCO)C1C[NH+](C(c2ccccc2)c2ccccc2)C1 |
|
AD43818 | 1.84 | 328.46 | C18H22ON3S | O=C(Nc1ccc(S)cc1)c1ccc(CC[NH+]2CCCC2)nc1 |
|
AD43819 | 0.64 | 341.87 | C14H20N7ClS | CC[NH+](CC)CCCNC(=S)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD43820 | 0.6 | 324.43 | C14H21N6FS | CC[NH+](CC)CCCNC(=S)Nc1ncnc2c1C(F)=C[N]2 |