Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol19961 CN[C@@H]1CCN(c2cc(CC(F)(F)F)nc(N)n2)C1 2 6
mol19962 CN[C@@H]1CCN(c2cc(CCC(F)(F)F)nc(N)n2)C1 2 6
mol19963 Cc1[nH]c2ccccc2c1C1CCCN(Cc2ccc(/C=C/C(=O)NO)cc2)C1 2 3
mol19964 O=C(/C=C/c1ccc(CN2CCCC(c3c[nH]c4ccccc34)C2)cc1)NO 2 3
mol19965 O=C(/C=C/c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)cc1)NO 2 3
mol19966 CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(/C=C/C(=O)NO)cc2)C1 2 3
mol19967 O=C(/C=C/c1ccc(CN2CCCC(c3c(-c4ccccc4)[nH]c4ccccc34)C2)c(F)c1)NO 2 3
mol19968 CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(/C=C/C(=O)NO)cc2F)C1 2 3
mol19969 CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(/C=C/C(=O)NO)cc2Cl)C1 2 3
mol19970 Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(NC(C)(C)C)OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O 2 0
mol19971 CCCCN(CCCC)P(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] 2 0
mol19972 Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)N3CCCCC3)O2)c(=O)[nH]c1=O 2 0
mol19973 Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(Nc3ccccc3)OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O 0 0
mol19974 CCCCNP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-] 2 0
mol19975 Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(NC(C)C)OCCSC(=O)C(C)(C)C)O2)c(=O)[nH]c1=O 2 0
mol19976 Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)N3CCOCC3)O2)c(=O)[nH]c1=O 2 0
mol19977 CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1 2 2
mol19978 CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C)cc2)c1 2 2
mol19979 CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1 2 2
mol19980 CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2ccc(C)cc2)c1 2 2