aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD31851 | 0.34 | 202.01 | C5H4ON3Br | NC(=O)c1cncc(Br)n1 |
|
AD31852 | 0.12 | 211.22 | C10H13O4N | COc1cccc(C(=O)NCCO)c1O |
|
AD31853 | 0.12 | 211.22 | C10H13O4N | COc1ccc(C(=O)NCCO)cc1O |
|
AD31854 | 1.21 | 205.13 | C8H6O2NF3 | COc1c(F)c(F)cc(C(N)=O)c1F |
|
AD31855 | -0.49 | 208.22 | C10H12O3N2 | NC(=O)c1cccc(C(=O)NCCO)c1 |
|
AD31856 | 1.51 | 189.14 | C8H6ONF3 | Cc1c(F)c(F)cc(C(N)=O)c1F |
|
AD31857 | 0.19 | 199.23 | C8H9O3NS | CS(=O)(=O)c1ccc(C(N)=O)cc1 |
|
AD31858 | -0.49 | 208.22 | C10H12O3N2 | NC(=O)c1ccccc1C(=O)NCCO |
|
AD31859 | 0.7 | 123.18 | C7H11N2 | Cc1cc(C)[nH+]c(N)c1 |
|
AD31860 | -0.38 | 219.23 | C9H11ON6 | CCn1nccc1NC1=C(C(N)=O)N=C[N]1 |