aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD30751 | 0.42 | 200.22 | C7H8O3N2S | CCOC(=O)c1nc(C(N)=O)cs1 |
|
AD30752 | 0.42 | 189.26 | C5H7ON3S2 | Cc1nnc(SCC(N)=O)s1 |
|
AD30753 | 0.61 | 193.17 | C6H5O2NF2S | NS(=O)(=O)c1ccc(F)cc1F |
|
AD30754 | 0.13 | 204.03 | C5H6ON3Br | NC(=O)Cn1cc(Br)cn1 |
|
AD30755 | 0.07 | 211.26 | C10H17O2N3 | Cc1n[nH]c(C)c1CCC(=O)NCCO |
|
AD30756 | 0.61 | 189.16 | C7H9ON3F2 | Cc1cc(C(F)F)n(CC(N)=O)n1 |
|
AD30757 | 0.99 | 191.64 | C7H6O2NClS | NS(=O)(=O)c1ccccc1Cl |
|
AD30758 | 1.13 | 204.15 | C8H7ON2F3 | NC(=O)Cc1ccc(C(F)(F)F)cn1 |
|
AD30759 | -0.22 | 215.64 | C9H10O2N3Cl | O=C(Cc1cncc(Cl)n1)NCCO |
|
AD30760 | -0.02 | 211.25 | C8H9O2N3S | NC(=O)C1CC(=O)N(c2nccs2)C1 |