aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22541 | -0.07 | 173.16 | C7H5N6 | N#CCC1=N[N]c2ncnc(N)c21 |
|
AD22542 | 3.96 | 211.29 | C13H9NS | c1ccc2cc(-c3cscn3)ccc2c1 |
|
AD22543 | 2.55 | 273.29 | C15H15O4N | Cc1c(O)ccc2cc(NC(=O)C3CCC3)c(=O)oc12 |
|
AD22544 | 2.2 | 183.26 | C6H5N3S2 | S=c1[nH]nc(-c2cccs2)[nH]1 |
|
AD22545 | 0.79 | 256.28 | C14H14O2N3 | CCc1cc(C(=O)c2cc[nH+]cc2C(N)=O)ccn1 |
|
AD22546 | 3.12 | 383.35 | C17H12O4NF3S | CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1C(O)C(F)(F)C2 |
|
AD22547 | 1.47 | 219.27 | C10H9ON3S | O=C(NCc1ccncc1)c1cscn1 |
|
AD22548 | 10.35 | 700.14 | C42H85O6N | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCCCOCCCCCCOCCC |
|
AD22549 | 0.69 | 123.16 | C6H9N3 | Cn1cc(C2CC2)nn1 |
|
AD22550 | 2.82 | 458.41 | C22H25O3N3Cl2S | CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCN)c2)C1 |