aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37331 | 2.03 | 261.31 | C12H11O2N3S | COc1cnc(C(=O)Nc2ccc(S)cc2)nc1 |
|
AD37332 | 1.27 | 275.29 | C11H9O2N5S | Cc1ccsc1C(=O)Nc1ncnc2[nH]c(=O)[nH]c12 |
|
AD37333 | 0.91 | 273.3 | C11H9ON6S | Cc1ccsc1C(=O)n1c(N)c2c(nc1=N)[N]C=N2 |
|
AD37334 | 2.27 | 247.32 | C12H13ON3S | Cc1c(C(=O)Nc2ccc(S)cc2)cnn1C |
|
AD37335 | 2.18 | 247.28 | C12H9O3NS | O=C(Nc1ccc(S)cc1)c1ccc(=O)oc1 |
|
AD37336 | 2.18 | 247.28 | C12H9O3NS | O=C(Nc1ccc(S)cc1)c1cc(=O)cco1 |
|
AD37337 | 1.71 | 270.27 | C13H12O2N5 | COc1cc(CNc2ncnc3c2N=C[N]3)ccc1O |
|
AD37338 | 1.89 | 178.3 | C12H20N | CC(C)CC([NH3+])Cc1ccccc1 |
|
AD37339 | 1.84 | 282.28 | C14H12O2N5 | COC(=O)Cc1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD37340 | 0.71 | 263.07 | C8H8O2N2FBr | O=C(NCCO)c1ccnc(Br)c1F |