aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD37041 | -1.04 | 283.34 | C10H14N7FS | C[NH+](C)CCNC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD37042 | -1.09 | 261.34 | C12H25O4N2 | CC(C)(C)OC(=O)N1CCC(O)(C[NH2+]CCO)C1 |
|
AD37043 | -1.34 | 211.29 | C10H19ON4 | C[NH+]1CCC(c2cn(CCO)nn2)CC1 |
|
AD37044 | 0.39 | 255.36 | C12H19O2N2S | Cc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1 |
|
AD37045 | 0.4 | 243.33 | C12H23O3N2 | CC(C)(C)OC(=O)N1CC2(CC([NH3+])CCO2)C1 |
|
AD37046 | 0.28 | 244.31 | C12H22O4N | CCOC(=O)C1(C(=O)OCC)CCC([NH3+])CC1 |
|
AD37047 | -1.33 | 260.31 | C12H22O5N | COC(=O)C1CCC([NH2+]CCO)CC1C(=O)OC |
|
AD37048 | -1.7 | 268.35 | C10H22O5NS | COC(=O)CCS(=O)(=O)CCC(C)[NH2+]CCO |
|
AD37049 | -0.53 | 272.32 | C12H16N8 | C[NH+](C)CCn1cc(Nc2ncnc3c2N=C[N]3)cn1 |
|
AD37050 | 0.08 | 249.34 | C13H21ON4 | Cc1ccc(NC2COC3(CCC[NH2+]C3)C2)nn1 |