Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol12061 COc1cccc(C2C(=O)c3ccccc3C2=O)c1 0 0
mol12062 COc1ccc(C2C(=O)c3ccccc3C2=O)cc1 0 0
mol12063 O=C(O)C(O)C(C(=O)O)(c1ccccc1)c1ccccc1 3 4
mol12064 CCCc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12 0 0
mol12065 CC(C)CCCC(=O)C1C(=O)c2ccccc2C1=O 0 0
mol12066 C#CC#CC=C=CC(CCC(=O)O)[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 0 0
mol12067 O=C1C=CC(=Nc2ccc(O)c3ccccc23)C=C1 0 0
mol12068 O=C1CC2(C(=O)N1)c1ccccc1-c1ccccc12 0 0
mol12069 O=C1c2ccccc2C(=O)C1Cc1ccc(Cl)cc1 0 0
mol12070 O=C1c2ccccc2C(=O)C1Cc1ccc(Br)cc1 0 0
mol12071 O=C1c2ccccc2C(=O)C1Cc1ccc(I)cc1 0 0
mol12072 O=C1NC(=O)C(c2ccccc2)(c2ccccc2)C1=O 2 2
mol12073 O=C1c2ccccc2C(=O)C1Cc1ccc([N+](=O)[O-])cc1 0 0
mol12074 Oc1ccccc1N=Nc1c(O)ccc2ccccc12 3 4
mol12075 CC1(c2cccc3ccccc23)C(=O)NC(=O)C1C#N 0 0
mol12076 CC1(c2ccc3ccccc3c2)C(=O)NC(=O)C1C#N 2 3
mol12077 O=C1CC(c2ccccc2)(c2ccccc2)C(=O)N1 2 2
mol12078 O=C1NC(=O)C(c2ccccc2)(c2ccccc2)C1O 2 4
mol12079 CC1(c2cccc3ccccc23)C(=O)NC(=O)C1C(=O)O 3 3
mol12080 CC1=NN(c2ccccc2)C(=O)C1=NNc1ccccc1 2 2