aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD38031 | -0.14 | 279.36 | C15H23O3N2 | COc1cccc(C(=O)N2CCC([NH2+]CCO)CC2)c1 |
|
AD38032 | -3.24 | 155.14 | C5H7O2N4 | NC=[NH+]c1c[nH]c(=O)[nH]c1=O |
|
AD38033 | 0.84 | 263.39 | C14H19ON2S | O=C(Nc1ccc(S)cc1)C1C[NH+]2CCC1CC2 |
|
AD38034 | 0.84 | 251.38 | C13H19ON2S | C[NH+](C)C1CC(C(=O)Nc2ccc(S)cc2)C1 |
|
AD38035 | 0.14 | 286.38 | C15H22N6 | C[NH+]1CCC(C2CCN(c3ncnc4c3N=C[N]4)C2)CC1 |
|
AD38036 | 0.28 | 286.38 | C15H22N6 | C[NH+]1CCC2(CCCN(c3ncnc4c3N=C[N]4)C2)CC1 |
|
AD38037 | 0.87 | 261.35 | C14H21ON4 | C[NH+](C)CCCn1cc(Nc2ccc(O)cc2)cn1 |
|
AD38038 | 0.28 | 274.37 | C14H22N6 | C[NH+](C)CCN(c1ncnc2c1N=C[N]2)C1CCCC1 |
|
AD38039 | 0.5 | 274.37 | C14H22N6 | C[NH+](C)CC1CCC(Nc2ncnc3c2N=C[N]3)CC1 |
|
AD38040 | 0.21 | 292.41 | C13H20N6S | CSC1(CNc2ncnc3c2N=C[N]3)CC[NH+](C)CC1 |