Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol36982 O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCSCCNC(=O)CCC(=O)N(O)CCSCCN1 2 13
mol36983 O=C1CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1 2 2
mol36984 O=C1CCC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCNC(=O)CCC(=O)N(O)CCOCCN1 2 2
mol36985 O=C1CCC(=O)N(O)CCSCCNC(=O)CCC(=O)N(O)CCSCCNC(=O)CCC(=O)N(O)CCSCCN1 2 2
mol36986 ON=C(O)C(=NO)c1ccccc1 2 4
mol36987 O=C1C=Cc2nsnc2C1=NO 2 2
mol36988 O=[N+]([O-])C1=CC(=NO)C=C([N+](=O)[O-])C12OCCO2 2 2
mol36989 [CH2]CCC[S+]([O-])O 0 0
mol36990 CN(CCSCCN(C)CC(=O)O)CC(=O)O 2 2
mol36991 O=C(O)[C@@]1(O)CCCC[C@]1(O)C(=O)O 2 2
mol36992 C1=Cc2nc1c(CCCCCCC[n+]1ccccc1)c1ccc([nH]1)c(CCCCCCC[n+]1ccccc1)c1nc(c(CCCCCCC[n+]3ccccc3)c3ccc([nH]3)c2CCCCCCC[n+]2ccccc2)C=C1 2 2
mol36993 C1=Cc2nc1c(CCCCC[n+]1ccccc1)c1ccc([nH]1)c(CCCCC[n+]1ccccc1)c1nc(c(CCCCC[n+]3ccccc3)c3ccc([nH]3)c2CCCCC[n+]2ccccc2)C=C1 2 2
mol36994 C1=Cc2nc1c(CCC[n+]1ccccc1)c1ccc([nH]1)c(CCC[n+]1ccccc1)c1nc(c(CCC[n+]3ccccc3)c3ccc([nH]3)c2CCC[n+]2ccccc2)C=C1 0 0
mol36995 CC(C)CNC(=O)c1ccc[n+](CC(=O)C[n+]2cccc(C=NO)c2)c1 2 2
mol36996 CC(Cn1cc[n+](C)c1)=NO 2 2
mol36997 CCCCCCCCCCCC[n+]1cc(CO)c(C=O)c(O)c1C 2 2
mol36998 CCN(CC)c1ccc(N=Nc2nn(C)c[n+]2C)cc1 2 2
mol36999 CN(C)C(=Nc1c(Cl)cccc1Cl)N1CCOCC1 2 2
mol37000 CN(C)CCC[N+](C)(C)C 2 2
mol37001 CN(C)CC[N+](C)(C)C 2 2