Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol10501 O=C(O)COc1cc(Cl)ccc1Cl 2 2
mol10502 O=C(O)COc1c(Cl)cccc1Cl 2 2
mol10503 O=C(O)COc1ccc(Cl)c(Cl)c1 2 2
mol10504 O=C1CS(=O)(=O)c2ccccc21 2 2
mol10505 Cn1cnc2nc(C(=O)O)c(=O)[nH]c2c1=O 3 3
mol10506 Cn1c(=O)[nH]c(=O)c2nc(C(=O)O)c(=O)[nH]c21 4 5
mol10507 Cn1c(=O)[nH]c2[nH]c(=O)c(C(=O)O)nc2c1=O 4 5
mol10508 Cn1c(=O)[nH]c(=O)c2[nH]c(=O)c(C(=O)O)nc21 4 5
mol10509 Cn1c(=O)[nH]c2nc(C(=O)O)c(=O)[nH]c2c1=O 4 5
mol10510 CC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2 2
mol10511 O=[N+]([O-])c1ccc(CC([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1 2 2
mol10512 COc1c(C([N+](=O)[O-])[N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 0 0
mol10513 COc1cc(C([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] 0 0
mol10514 Brc1ccc2[nH]ccc2c1 2 2
mol10515 Fc1cccc2[nH]ccc12 2 2
mol10516 Fc1ccc2[nH]ccc2c1 2 2
mol10517 S=c1[nH]c2ccccc2[nH]c1=S 3 3
mol10518 S=C1NNC(c2ccccc2)S1 2 2
mol10519 OC(c1ccccc1)C(F)(F)F 2 2
mol10520 COc1ccc(O)c(C#N)c1 2 2