Browse Molecules

Molecule ID SMILES Charge States Microspecies
SM40 CN(C)S(=O)(=O)NC1(CCc2ccccc2)CS(=O)(=O)C1 2 2
SM41 CS(=O)(=O)Nc1cc(-c2ccccc2)on1 2 2
SM42 O=S(=O)(Nc1cc(-c2ccccc2)on1)c1ccccc1 2 2
SM43 CN(C)S(=O)(=O)Nc1cc(-c2ccccc2)on1 2 2
SM44 CS(=O)(=O)Nc1cn(-c2ccccc2)nn1 2 2
SM45 O=S(=O)(Nc1cn(-c2ccccc2)nn1)c1ccccc1 2 2
SM46 CN(C)S(=O)(=O)Nc1cn(-c2ccccc2)nn1 2 2
SAMPL8-1 O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1 2 2
SAMPL8-2 CS(=O)(=O)c1ccc(CCC(=O)O)cc1 2 2
SAMPL8-3 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl 2 2
SAMPL8-4 Br.Cc1sc(Nc2ccc(C#N)c(Cl)c2)nc1C(=O)O 2 2
SAMPL8-5 O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+] 2 2
SAMPL8-6 Cc1ccc(Cl)cc1NCc1ccc(C(=O)O)s1 2 3
SAMPL8-7 Nc1nc2ccc(Br)cc2n1CC1(O)CCOCC1 2 3
SAMPL8-8 COC(=O)c1cn2cccc(C(F)(F)F)c2n1 2 2
SAMPL8-9 Nc1nc2ccc(Br)cc2n1CC1(O)CCCCC1 2 3
SAMPL8-10 CS(=O)(=O)c1cccc(-c2ccc(CNCc3c(F)cccc3Cl)cc2)c1.Cl 2 2
SAMPL8-12 Cc1ccc(Cc2cnc(N)nc2N2CCOCC2)cc1 2 5
SAMPL8-14 Cc1cc(Cc2cnc(N)nc2N)cc(C(C)(C)C)c1O.Cl 2 5
SAMPL8-15 Cc1ccccc1Nc1nc(Cl)nc2ccccc12 2 4