aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40751 | -1.97 | 222.23 | C9H12O2N5 | [NH3+]CCc1ccn(-c2c[nH]c(=O)[nH]c2=O)n1 |
|
AD40752 | -2.01 | 208.2 | C8H10O2N5 | [NH3+]Cc1cnn(-c2c[nH]c(=O)[nH]c2=O)c1 |
|
AD40753 | -2.26 | 237.24 | C9H13O2N6 | Cc1nc(CC[NH3+])nn1-c1c[nH]c(=O)[nH]c1=O |
|
AD40754 | -1.97 | 222.23 | C9H12O2N5 | [NH3+]CCc1cnn(-c2c[nH]c(=O)[nH]c2=O)c1 |
|
AD40755 | -1.45 | 324.41 | C15H26O3N5 | CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]CCO |
|
AD40756 | -2.61 | 209.19 | C7H9O2N6 | [NH3+]Cc1cnnn1-c1c[nH]c(=O)[nH]c1=O |
|
AD40757 | -2.35 | 228.28 | C9H18O2N5 | CN(CC[NH3+])CCNc1c[nH]c(=O)[nH]c1=O |
|
AD40758 | -2.97 | 227.24 | C9H15O3N4 | O=c1[nH]cc(NC2C[NH2+]CC2CO)c(=O)[nH]1 |
|
AD40759 | 1.05 | 317.46 | C18H29ON4 | CC(C)CNc1nc2c(cc1C(=O)N1CCCC1)CC[NH2+]CC2 |
|
AD40760 | 1.15 | 278.41 | C13H20N5S | CC(C)n1nc(CNc2nccs2)c2c1C[NH2+]CC2 |