Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol31241 CN(C)CC1=C(O)C(=O)c2ccccc2C1=O 2 2
mol31242 OC(O)(C(F)(F)Cl)C(F)(Cl)Cl 2 2
mol31243 O=C1O[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)C(O)=C1O 5 25
mol31244 O=[N+]([O-])c1cccc(C(O)(O)C(F)(F)F)c1 2 2
mol31245 N#CC(C#N)=C1C(=O)C(=C(C#N)C#N)C(O)=C1O 2 2
mol31246 Cc1ccc(/C=C/c2cccc(=O)c(O)c2)cc1 0 0
mol31247 O=S(=O)(O)c1cccc2c1C=CC2=C(O)O 2 2
mol31248 O=S(=O)(O)C1=CC(=C(O)O)c2ccccc21 2 2
mol31249 COC(S)=C1c2ccccc2-c2ccccc21 2 2
mol31250 CN(C)c1cc[n+](/C=C(\O)c2ccccc2)cc1 2 2
mol31251 CCCC(O)C(F)(F)C(F)(F)C(F)(F)F 0 0
mol31252 COC(=O)C(O)(c1ccccc1)c1ccccc1 2 2
mol31253 OC(c1ccccc1)(C(F)(F)F)C(F)(F)F 2 2
mol31254 CC(O)(O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2 2
mol31255 O=NC(F)(F)C(O)(C(F)(F)F)C(F)(F)F 2 2
mol31256 OC(O)(C(F)(Cl)Cl)C(F)(Cl)Cl 2 2
mol31257 OC(C(F)=C(F)F)(C(F)(F)F)C(F)(F)F 2 2
mol31258 CC(O)CCCCCCCCCc1ccccc1 0 0
mol31259 OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 0 0
mol31260 C/C(=C\C(C)=N\c1ccccc1)Nc1ccccc1 2 3