aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42041 | 0.73 | 310.17 | C9H12O4NSBr | COc1cc(Br)ccc1S(=O)(=O)NCCO |
|
AD42042 | 2.03 | 308.38 | C13H12O3N2S2 | CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S)cc2)nc1 |
|
AD42043 | 2.45 | 296.92 | C7H4ONFBr2 | NC(=O)c1c(Br)ccc(Br)c1F |
|
AD42044 | 2.06 | 303.41 | C12H17O4NS2 | COC(=O)CCCCS(=O)(=O)Nc1ccc(S)cc1 |
|
AD42045 | 2.34 | 293.34 | C14H15O4NS | COc1cccc(CS(=O)(=O)Nc2ccc(O)cc2)c1 |
|
AD42046 | 1.43 | 305.36 | C14H15O3N3S | COCCn1cc(C(=O)Nc2ccc(S)cc2)cnc1=O |
|
AD42047 | 2.19 | 301.37 | C15H15O2N3S | O=C(Nc1ccc(S)cc1)c1cnc(=O)n(CC2CC2)c1 |
|
AD42048 | 1.04 | 330.19 | C9H10ON6SBr | COCCNC(=S)Nc1ncnc2c1N=C(Br)[N]2 |
|
AD42049 | 2.2 | 297.34 | C14H11ON5S | O=C(Nc1ccc(S)cc1)c1cnn(-c2ncccn2)c1 |
|
AD42050 | -0.53 | 134.2 | C4H10ON2S | COCCNC(N)=S |