aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41501 | -0.9 | 238.25 | C10H14O3N4 | O=C(CNc1c[nH]c(=O)[nH]c1=O)N1CCCC1 |
|
AD41502 | -0.29 | 231.24 | C10H11ON6 | O=C1CN(c2ncnc3c2N=C[N]3)CCCN1 |
|
AD41503 | -0.75 | 199.21 | C8H13O3N3 | CC(CCO)Nc1c[nH]c(=O)[nH]c1=O |
|
AD41504 | 1.48 | 328.09 | C9H7ON5I | Ic1nc2c(c(N=C3CCOC3)n1)N=C[N]2 |
|
AD41505 | -0.29 | 231.24 | C10H11ON6 | CC1C(=O)NCCN1c1ncnc2c1N=C[N]2 |
|
AD41506 | 0.14 | 232.22 | C10H10O2N5 | CC(=O)OC1CN(c2ncnc3c2N=C[N]3)C1 |
|
AD41507 | 0.2 | 218.24 | C10H12ON5 | OCC1CCN(c2ncnc3c2N=C[N]3)C1 |
|
AD41508 | 0.09 | 233.26 | C10H13ON6 | CCN(CCC(N)=O)c1ncnc2c1N=C[N]2 |
|
AD41509 | 2.39 | 292.36 | C14H16O3N2S | CN(C)S(=O)(=O)c1cccc(Nc2ccc(O)cc2)c1 |
|
AD41510 | -1.08 | 222.2 | C9H10O3N4 | O=c1[nH]cc(-c2cnn(CCO)c2)c(=O)[nH]1 |