aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40551 | 0.36 | 338.11 | C6H5O2N5SI | CS(=O)(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD40552 | 0.75 | 352.14 | C7H7O2N5SI | CCS(=O)(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD40553 | -0.95 | 323.31 | C12H11O5N4S | COC(=O)c1ccccc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD40554 | -0.4 | 339.4 | C14H19O4N4S | CC1(C)C2CCC1(CS(=O)(=O)NC1=C(C(N)=O)N=C[N]1)C(=O)C2 |
|
AD40555 | -0.89 | 329.34 | C10H9O5N4S2 | COC(=O)c1sccc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1 |
|
AD40556 | 0.89 | 364.15 | C8H7O2N5SI | O=S(=O)(Nc1nc(I)nc2c1N=C[N]2)C1CC1 |
|
AD40557 | -0.26 | 235.29 | C7H9O4NS2 | CS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 |
|
AD40558 | -0.63 | 351.36 | C14H15O5N4S | COC(=O)CCc1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1 |
|
AD40559 | -1.22 | 334.34 | C13H12O4N5S | CN1C(=O)Cc2cc(S(=O)(=O)NC3=C(C(N)=O)N=C[N]3)ccc21 |
|
AD40560 | -0.95 | 323.31 | C12H11O5N4S | COC(=O)c1ccc(S(=O)(=O)NC2=C(C(N)=O)N=C[N]2)cc1 |