aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD02111 | 1.31 | 260.32 | C13H18ON5 | Nc1nc(CC2CCC(CO)CC2)nc2c1N=C[N]2 |
|
AD02112 | 5.05 | 463.56 | C25H25O4N3S | CCOc1nn(Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)cc1CCC(=O)O |
|
AD02113 | 0.97 | 255.32 | C9H9O2N3S2 | CC(=O)c1sc2nc(S)n(N)c(=O)c2c1C |
|
AD02114 | 2.36 | 343.45 | C19H21O3NS | CC(=O)Oc1ccc2c3c1OC1C(S)C=CC4C(C2)N(C)CCC341 |
|
AD02115 | 2.47 | 211.27 | C13H13N3 | CC1=NN(c2ccccc2)C2N=CC=CC12 |
|
AD02116 | -0.67 | 164.15 | C6H6ON5 | CC1=N[N]c2nc(N)[nH]c(=O)c21 |
|
AD02117 | 4.03 | 302.45 | C17H28N5 | CCCCCCN(CCCCCC)c1ncnc2c1C=N[N]2 |
|
AD02118 | 2.48 | 415.5 | C24H25O2N5 | CNC(=O)C(CCCN=C(N)N)NC(=O)c1ccc2ccc3cccc4ccc1c2c34 |
|
AD02119 | 2.34 | 277.69 | C14H9ON3FCl | O=c1n(Cc2ccccc2Cl)nc2ccc(F)cn12 |
|
AD02120 | 1.85 | 598.8 | C32H56O9N | C#CC[N+](C)(C)C1CC(C)OC(OC2C(C)C(O)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C3OC2(C)CC3C)C1O |