aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD39391 | 2.14 | 282.37 | C13H18O3N2S | CC(C)(C)OC(=O)N1CCc2cc(C(N)=O)sc2C1 |
|
AD39392 | 0.82 | 284.11 | C10H10O2N3Br | O=C(NCCO)c1cc(Br)cn2ccnc12 |
|
AD39393 | 2.27 | 270.32 | C13H10ON4S | O=C(Nc1ccc(S)cc1)c1ccc2nncn2c1 |
|
AD39394 | 2.27 | 270.32 | C13H10ON4S | O=C(Nc1ccc(S)cc1)c1ccc2nccn2n1 |
|
AD39395 | 0.44 | 285.1 | C9H9O2N4Br | O=C(NCCO)c1[nH]nc2ncc(Br)cc12 |
|
AD39396 | 1.16 | 208.28 | C12H18O2N | COc1ccc(C2CC([NH3+])CCO2)cc1 |
|
AD39397 | 1.67 | 271.31 | C12H9ON5S | O=C(Nc1ccc(S)cc1)c1nnc2cnccn12 |
|
AD39398 | 0.28 | 291.13 | C7H7O2N4SBr | O=C(NCCO)c1cn2nc(Br)sc2n1 |
|
AD39399 | 2.27 | 270.32 | C13H10ON4S | O=C(Nc1ccc(S)cc1)c1cccn2cnnc12 |
|
AD39400 | 1.11 | 286.13 | C11H12O3NBr | O=C(NCCO)c1cc(Br)cc2c1OCC2 |