aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42081 | 1.67 | 289.38 | C11H15O4NS2 | COC(=O)CCCS(=O)(=O)Nc1ccc(S)cc1 |
|
AD42082 | 1.91 | 359.15 | C10H12ON6I | CC(C)(C)NC(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD42083 | -0.41 | 199.23 | C7H9O2N3S | O=c1[nH]cc(NC2CSC2)c(=O)[nH]1 |
|
AD42084 | 1.52 | 345.12 | C9H10ON6I | CC(C)NC(=O)Nc1nc(I)nc2c1N=C[N]2 |
|
AD42085 | 0.15 | 299.4 | C17H23ON4 | NC(=O)c1ccc2ccc(N3CC[NH+](CC4CC4)CC3)n2c1 |
|
AD42086 | -0.84 | 218.26 | C10H14N6 | CC1CN(c2ncnc3c2N=C[N]3)CC[NH2+]1 |
|
AD42087 | -0.15 | 318.4 | C17H24O3N3 | O=C(NCCO)C(c1cc2ccccc2o1)N1CCC[NH2+]CC1 |
|
AD42088 | -0.17 | 314.2 | C13H18O2N2Br | O=C(NCCO)C1C[NH2+]CC1c1ccc(Br)cc1 |
|
AD42089 | -0.52 | 343.25 | C14H21O2N3Br | O=C(NCCO)C(c1cccc(Br)c1)N1CC[NH2+]CC1 |
|
AD42090 | -0.45 | 335.17 | C11H16O2N2I | [NH3+]C(Cc1ccc(I)cc1)C(=O)NCCO |