Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol12021 O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1 0 0
mol12022 O=C1c2ccccc2C(=O)C1c1ccc(Br)cc1 2 2
mol12023 O=C1c2ccccc2C(=O)C1c1ccc([N+](=O)[O-])cc1 0 0
mol12024 O=C1c2ccccc2C(=O)C1c1ccc(S(=O)(=O)O)cc1 0 0
mol12025 O=C1c2cccc(S(=O)(=O)O)c2C(=O)C1c1ccccc1 0 0
mol12026 Oc1ccc(N=Nc2ccccn2)c2ccccc12 3 5
mol12027 Oc1ccc2ccccc2c1N=Nc1ccccn1 3 5
mol12028 O=c1[nH]c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1 0 0
mol12029 O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1 4 5
mol12030 O=C(CC(=O)c1cccc(S(=O)(=O)O)c1)c1ccccc1 2 2
mol12031 O=C(CC(=O)c1ccc(S(=O)(=O)O)cc1)c1ccccc1 2 2
mol12032 O=C(CC(=O)c1ccccc1)Nc1ccccc1 2 3
mol12033 O=C(C=Cc1ccccc1)N(O)c1ccccc1 2 2
mol12034 CC1(c2ccc3ccccc3c2)CC(=O)NC1=O 2 2
mol12035 O=C1C2=C(CCCC2)C(=O)C1c1ccc([N+](=O)[O-])cc1 0 0
mol12036 Cc1ccc(OS(=O)(=O)CS(=O)(=O)Oc2ccc(C)cc2)cc1 0 0
mol12037 CC(=O)NC(C(=O)CCC(=O)O)C(=O)OCc1ccccc1 3 5
mol12038 CC1=Nc2nccnc2C(C2C(=O)CC(C)(C)CC2=O)N1 3 6
mol12039 CCCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O 2 2
mol12040 O=C(NCC(=O)C1(C(=O)O)CCCCN1)c1ccccc1 2 2