Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol21001 N#C/C(=N\O)C(=O)Nc1ccc(-c2ccccc2)cc1 2 2
mol21002 COC(=O)N(C)CC(=O)Oc1ccc(N(C)C)cc1 2 2
mol21003 COC(=O)N(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C 0 0
mol21004 COC(=O)N(C)CSc1[nH]cnc2ncnc1-2 2 2
mol21005 COC(=O)N(C)COc1ccc([N+](=O)[O-])cc1 0 0
mol21006 COC(=O)c1ccc(OCN(C)C(=O)OC)cc1 0 0
mol21007 COC(=O)N(C)COc1ccc(C(C)=O)cc1 0 0
mol21008 COC(=O)N(C)COc1ccccc1C=O 0 0
mol21009 COC(=O)N(C)COc1ccc(C=O)cc1 0 0
mol21010 COC(=O)N(C)COc1ccc(C#N)cc1 0 0
mol21011 COC(=O)N(C)COc1ccc(NC(C)=O)cc1 2 2
mol21012 O=C(Nc1ccc(Cl)cc1O)Nc1ccccc1Br 2 2
mol21013 O=C(Nc1ccccc1Br)Nc1ccc(Cl)c(Cl)c1O 2 2
mol21014 NC(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O 2 2
mol21015 NCc1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O 2 3
mol21016 NS(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O 2 3
mol21017 CN(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O 2 2
mol21018 CC(C)NC1=NS(=O)(=O)c2cc(F)ccc2N1 2 2
mol21019 CC(C)NC1=NS(=O)(=O)c2cc(Br)ccc2N1 2 2
mol21020 CC(C)NC1=NS(=O)(=O)c2cc(I)ccc2N1 2 2