Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol30981 CC1=CC(=O)C(C(C)C)=C/C1=C(\c1ccccc1)c1cc(C(C)C)c(O)cc1C 2 3
mol30982 Cc1cc(O)c(C(C)C)cc1[C+](c1ccccc1)c1cc(C(C)C)c(O)cc1C 0 0
mol30983 CCN(CC)c1ccc(C(c2ccccc2)C2C=CC(=[N+](CC)CC)C=C2)cc1 0 0
mol30984 CCc1cc2c(cc1O)Oc1cc(O)c(CC)cc1C21OC(=O)c2ccccc21 2 2
mol30985 CC(C)(C)c1cc([N+](=O)[O-])cc(-c2cc([N+](=O)[O-])cc(C(C)(C)C)c2O)c1O 0 0
mol30986 Cc1c2c(c(O)c3c(O)cccc13)C(=O)O[C@H]2c1cc(O)c(C(N)=O)c(O)c1O 4 19
mol30987 O=[N+]([O-])c1ccc(O)c(/C=C/CCNCC/C=C/c2cc([N+](=O)[O-])ccc2O)c1 0 0
mol30988 O=C(O)c1ccccc1-[c+]1c2cc(Cl)c(O)cc2oc2cc(O)c(Cl)cc21 0 0
mol30989 O=C1OC2(c3cc(Cl)c(O)cc3Oc3cc(O)c(Cl)cc32)c2ccccc21 2 2
mol30990 Oc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 2 2
mol30991 COc1c(-c2cc([N+](=O)[O-])cc(C(C)(C)C)c2O)cc([N+](=O)[O-])cc1C(C)(C)C 0 0
mol30992 O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2c(F)c(F)c(F)c(F)c21 2 2
mol30993 O=C(O)c1c(F)c(F)c(F)c(F)c1-[c+]1c2ccc(O)cc2oc2cc(O)ccc21 0 0
mol30994 O=C1OC2(c3ccccc31)c1cc(F)c(O)c(F)c1Oc1c2cc(F)c(O)c1F 2 2
mol30995 O=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1 2 2
mol30996 Cc1c(O)ccc(C2(c3ccc(O)c(C)c3C)OS(=O)(=O)c3ccccc32)c1C 2 2
mol30997 Cc1cc(C2(c3cc(C)c(O)c(C)c3)OS(=O)(=O)c3ccccc32)cc(C)c1O 2 2
mol30998 O=[N+]([O-])c1ccc(O)c(/C=C/[C@@H]2CCCC[C@H]2/C=C/c2cc([N+](=O)[O-])ccc2O)c1 0 0
mol30999 CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 0 0
mol31000 O=C1OC(c2ccc(O)c3ccccc23)(c2ccc(O)c3ccccc23)c2ccccc21 2 2