aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD14111 | 0.99 | 202.12 | C6H3N5F3 | Nc1nc(C(F)(F)F)nc2c1N=C[N]2 |
|
AD14112 | 0.08 | 244.03 | C6H4O2N4Br | COc1nc2c(c(=O)[nH]1)C(Br)=N[N]2 |
|
AD14113 | 4.94 | 383.26 | C21H14N5Cl2 | Clc1cccc(Cl)c1C(CNc1ncnc2c1N=C[N]2)c1ccccc1 |
|
AD14114 | 11.35 | 596.04 | C38H77O3N | CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC |
|
AD14115 | 1.73 | 399.49 | C22H29O4N3 | CCn1cc(C(=O)O)c(=O)c2cc(C=CCN3CCN(CCCO)CC3)ccc21 |
|
AD14116 | 10.17 | 566.91 | C35H66O5 | CCCCCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCC |
|
AD14117 | 2.75 | 428.54 | C23H37O6F | CCC1OC(=O)CC(O)C(C)C(O)C(CCF)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD14118 | 0.91 | 138.12 | C7H6O3 | O=Cc1cc(O)cc(O)c1 |
|
AD14119 | 1.12 | 135.12 | C7H5O2N | O=c1[nH]ccc2occc12 |
|
AD14120 | 1.28 | 240.27 | C12H12N6 | Cn1cc(-c2ccc(-c3cn(C)nn3)cc2)nn1 |