Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol31221 O=C1c2ccccc2C2(O)OCCCN12 2 2
mol31222 O=C1C(O)=C(O)C(=O)C(O)(O)C1(O)O 2 2
mol31223 O=C1O[C@@H]([C@@H](O)[C@H](O)CO)C(O)=C1O 4 19
mol31224 O=C1O[C@@H]([C@H](O)[C@H](O)CO)C(O)=C1O 4 18
mol31225 Cc1ccc(C(O)(O)C(F)(F)F)cc1 2 2
mol31226 CN1c2ccccc2C=C([N+](=O)[O-])C1O 2 2
mol31227 CN1C=C([N+](=O)[O-])c2ccccc2C1O 2 2
mol31228 CCOC(=O)C(O)C(O)C(=O)OCC 0 0
mol31229 OCCCCCCCCc1ccccc1 0 0
mol31230 CN(C)C(=O)/C=C(\O)c1cc[n+](C)cc1 2 2
mol31231 N#CC(O)(c1ccccc1)c1ccccc1 2 2
mol31232 CC(O)C(F)(F)C(F)(F)C(F)(F)F 0 0
mol31233 OC(O)(C(F)(F)Cl)C(F)(F)Cl 2 2
mol31234 COc1ccc(C(O)(O)C(F)(F)F)cc1 2 2
mol31235 CC1(C)OC(O)(c2ccccc2)OC1(C)C 2 2
mol31236 COC(=O)c1cccc(=O)c(O)c1C(=O)O 3 4
mol31237 O=c1cccc(/C=C/c2ccccc2)cc1O 0 0
mol31238 CCC(O)C(F)(F)C(F)(F)C(F)(F)F 0 0
mol31239 O=C1C(O)=C([N+](=O)[O-])C(=O)C([N+](=O)[O-])=C1O 2 2
mol31240 CC(=O)CC1=C(O)C(=O)c2ccccc2C1=O 2 2