Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol17701 CCOc1ccc(CC2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 2 3
mol17702 c1c(N2CCCCCC2)nc(C2CC2)nc1N1CCC1 2 5
mol17703 Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(C#N)C1 2 5
mol17704 CC1CN(c2cc(N3CCCCCC3)nc(C3CC3)n2)C1 2 5
mol17705 Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(F)C1 2 5
mol17706 FC1CN(c2cc(N3CCCCCC3)nc(C3CC3)n2)C1 2 5
mol17707 Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(=O)C1 2 5
mol17708 COC1CN(c2nc(C3CC3)nc(N3CCCCCC3)c2C)C1 2 5
mol17709 Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(Br)C1 2 5
mol17710 Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(O)C1 2 5
mol17711 Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(C)(C)C1 2 5
mol17712 Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(C)C1 2 5
mol17713 Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CCC1 2 5
mol17714 CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 2 2
mol17715 NC1(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC3(CCc4ccccc43)CC2)CC1 2 2
mol17716 Nc1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 2 2
mol17717 CN1CC=CC=C1/C=N/O 0 0
mol17718 O=C(O)c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)cc1 2 2
mol17719 OC[C@H]1O[C@H](Oc2ccc(-c3cc(F)c(O)c(F)c3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 2 2
mol17720 OC[C@H]1O[C@H](Oc2ccc(-c3ccc(-c4nnn[nH]4)cc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O 2 2