aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD30341 | 0.28 | 199.24 | C7H9O2N3S | CSc1nc(N)c(C(C)=O)c(=O)[nH]1 |
|
AD30342 | 0.14 | 217.26 | C10H13N6 | CN1CCN(c2ncnc3c2N=C[N]3)CC1 |
|
AD30343 | -2.24 | 153.15 | C5H7ON5 | NC1=NC(=O)C2N=CNC2N1 |
|
AD30344 | -1.66 | 130.04 | CH7O5P | OCO[PH](O)(O)O |
|
AD30345 | 0.4 | 200.23 | C10H16O4 | CC1=C(CO)C(C(CO)C(=O)O)CC1 |
|
AD30346 | -0.59 | 240.22 | C7H6O3N5S | Nc1nc2c(c(=O)[nH]1)N=C(SCC(=O)O)[N]2 |
|
AD30347 | 1.42 | 196.2 | C10H12O4 | COc1c(O)cccc1CCC(=O)O |
|
AD30348 | 0.75 | 235.27 | C10H9O2N3S | O=c1[nH]nc(SCc2ccccc2)c(=O)[nH]1 |
|
AD30349 | 0.2 | 196.2 | C10H12O4 | O=C(OCC(O)CO)c1ccccc1 |
|
AD30350 | 1.5 | 194.19 | C10H10O4 | COc1ccc(C=CC(=O)O)c(O)c1 |