Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol10041 O=Cc1nc2c(=O)nc[nH]c2[nH]c1=O 3 4
mol10042 O=C(O)c1nc2cnc[nH]c-2nc1=O 3 4
mol10043 O=C(O)c1cc(Cl)cc(Cl)c1O 3 3
mol10044 O=C(O)c1cc(Cl)c(O)c(Cl)c1 3 4
mol10045 O=C(O)c1cc(Br)cc(Br)c1O 3 3
mol10046 O=C(O)c1nc2c(=O)nc[nH]c2[nH]c1=O 5 7
mol10047 O=C(O)c1nc2[nH]cnc(=O)c2[nH]c1=O 0 0
mol10048 O=[N+]([O-])c1cc([N+](=O)[O-])c2cn[nH]c2c1O 2 2
mol10049 O=C(O)c1nc2c(=O)[nH]c(=O)[nH]c2[nH]c1=O 5 10
mol10050 O=C(O)c1nc2[nH]c(=O)[nH]c(=O)c2[nH]c1=O 5 10
mol10051 O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2 2
mol10052 O=[N+]([O-])c1ccc(C([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1 0 0
mol10053 O=[N+]([O-])c1cccc([N+](=O)[O-])c1C([N+](=O)[O-])[N+](=O)[O-] 0 0
mol10054 O=c1[nH]c2ccccc2o1 2 2
mol10055 O=[N+]([O-])c1cccc2[nH]ncc12 3 3
mol10056 O=[N+]([O-])c1ccc2[nH]ncc2c1 3 3
mol10057 O=[N+]([O-])c1ccc2cn[nH]c2c1 3 3
mol10058 O=[N+]([O-])c1cccc2cn[nH]c12 3 3
mol10059 O=Cc1ccc(O)cc1Cl 2 2
mol10060 O=Cc1c(O)cccc1Cl 2 2