aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06101 | 1.73 | 305.33 | C15H13N8 | CNc1nc(-c2cn(Cc3ccccc3)nn2)nc2c1N=C[N]2 |
|
AD06102 | 0.18 | 207.25 | C7H13O4NS | COS(=O)(=O)NC(=O)C1CCCC1 |
|
AD06103 | -0.02 | 523.45 | C26H21O11N | COC(=O)c1c(C)cc2c(c1O)C1(O)C(=O)c3cc4c(c(O)c3C(=O)C1(OC)C(O)C2)C(=O)C=C(N)C4=O |
|
AD06104 | 2.26 | 330.36 | C17H14O5S | CS(=O)(=O)c1ccc(C2=C(c3ccc(O)cc3)C(=O)OC2)cc1 |
|
AD06105 | 1.85 | 246.78 | C13H23ON2Cl | CCCCC1CN(C)C1C(=O)NCC(C)Cl |
|
AD06106 | 0.43 | 128.16 | C4H4ON2S | O=c1[nH]ccc(=S)[nH]1 |
|
AD06107 | 0.7 | 223.29 | C13H19O3 | O=C([O-])C(O)CC12CC3CC(CC(C3)C1)C2 |
|
AD06108 | -1.17 | 228.2 | C10H12O6 | O=C(O)C1=COC(O)C2C(CO)=CC(O)C12 |
|
AD06109 | -1.47 | 2251.87 | C111H136O29N21Cl | CCc1ccccc1CC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD06110 | 0.97 | 193.2 | C10H11O3N | CNC(=O)c1ccc(OC(C)=O)cc1 |