aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42161 | -1.4 | 207.21 | C9H11O2N4 | [NH3+]Cc1cccn1-c1c[nH]c(=O)[nH]c1=O |
|
AD42162 | -1.77 | 147.24 | C7H19ON2 | CC[NH+](CC)CC(O)CN |
|
AD42163 | -1.33 | 147.24 | C7H19ON2 | CC(C)(C)[NH2+]CC(O)CN |
|
AD42164 | -1.92 | 234.24 | C10H12O2N5 | N=c1cc(C[NH3+])ccn1-c1c[nH]c(=O)[nH]c1=O |
|
AD42165 | -0.13 | 317.41 | C15H29O5N2 | CCOC(=O)C1CC([NH2+]CCO)CCN1C(=O)OC(C)(C)C |
|
AD42166 | 0.95 | 299.39 | C15H27O4N2 | COC(=O)C1CC2CC([NH3+])CC(C1)N2C(=O)OC(C)(C)C |
|
AD42167 | -1.62 | 230.27 | C7H12O2N5S | N=C(Nc1c[nH]c(=O)[nH]c1=O)SCC[NH3+] |
|
AD42168 | -0.6 | 342.46 | C17H32O4N3 | CC(C)(C)OC(=O)N1CCC([NH+]2CCC(C(=O)NCCO)CC2)C1 |
|
AD42169 | 0.13 | 325.42 | C13H20N7FS | CC[NH+](CC)CCCNC(=S)Nc1nc(F)nc2c1N=C[N]2 |
|
AD42170 | -1.41 | 225.27 | C10H17O2N4 | CC1(Nc2c[nH]c(=O)[nH]c2=O)CC[NH2+]CC1 |