Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol36362 O=C(O)/C=C/C(=O)c1ccc(Br)cc1 2 2
mol36363 O=C(O)/C=C/C(=O)c1ccc(Cl)cc1 2 2
mol36364 O=C(O)/C=C/C(=O)c1ccc(F)cc1 2 2
mol36365 O=C(O)/C=C/C(=O)c1ccc(O)cc1 2 2
mol36366 O=C1OC(c2c(C(=O)O)[nH]c3c(Cl)cccc23)(c2c(C(=O)O)[nH]c3c(Cl)cccc23)c2ccccc21 2 2
mol36367 O=C1OC(c2c[nH]c3ccccc23)(c2c(C(=O)O)[nH]c3c(Cl)cccc23)c2ccccc21 2 2
mol36368 O=C(O)c1c2cccc1COCCOCc1cccc(n1)COCCOC2 2 3
mol36369 O=C(O)c1cc(Br)c(Br)o1 2 2
mol36370 O=Cc1cc(C(=O)O)c2cccccc1-2 2 2
mol36371 O=C(O)c1cc(Cl)cs1 2 2
mol36372 O=C(O)c1cc(NC(=O)C(F)(F)F)ccc1[N+](=O)[O-] 2 2
mol36373 O=C(O)c1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F 2 2
mol36374 O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccc(Cl)cc1 2 2
mol36375 O=C(O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)c1ccccc1 2 2
mol36376 O=C(O)c1cc([N+](=O)[O-])ccc1S 2 3
mol36377 O=C(O)c1cc([N+](=O)[O-])ccc1SSc1ccc([N+](=O)[O-])cc1C(=O)O 2 2
mol36378 O=C(O)c1cc2ccc1CCc1ccc(cc1Br)CC2 0 0
mol36379 O=C(O)c1cc2ccc1CCc1ccc(cc1)CC2 2 2
mol36380 O=C(O)c1cc2ccc1CCc1ccc(c(Br)c1)CC2 2 2
mol36381 O=C(O)c1ccc(Br)cc1C(=O)Nc1ccccc1 2 2