Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol37022 C[N+](C)(C)c1ccccc1C(=NO)C(F)(F)F 2 2
mol37023 C[N+]1(C)CC(=O)CC(=O)C1 2 3
mol37024 Cc1ccc(C(=O)N[S+](C)C)cc1 2 2
mol37025 C[S+](C)NC(=O)c1ccc(Cl)cc1 0 0
mol37026 C[S+](C)NC(=O)c1ccccc1 2 2
mol37027 Cc1[nH]c2ccccc2c1C=CC1=[N+](C)c2ccccc2C1 0 0
mol37028 Cc1c(O)c(C=O)c(CO)c[n+]1C 2 2
mol37029 Cc1cc[n+](CC(=NO)c2ccccc2)c2ccccc12 2 2
mol37030 Cc1ccc2c(ccc[n+]2CC(=NO)c2ccccc2)c1 2 2
mol37031 Cn1cc[n+](CCCC(=O)O)c1 2 2
mol37032 NC(=O)c1ccc[n+](CC(=O)C[n+]2cccc(C=NO)c2)c1 2 2
mol37033 O=C(CC[n+]1ccccc1)c1ccccc1 0 0
mol37034 O=C(O)CCCn1cc[n+](CCCC(=O)O)c1 2 3
mol37035 O=C(O)CSc1nn(-c2ccccc2)[n+](-c2ccccc2)n1 2 2
mol37036 O=C(O)Cn1cc[n+](CC(=O)O)c1 2 3
mol37037 OC[C@H]1O[C@@H](Oc2cc(O)cc3[o+]c(-c4ccc(O)c(O)c4)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc23)[C@H](O)[C@@H](O)[C@@H]1O 2 4
mol37038 OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 2 4
mol37039 OC[C@H]1O[C@@H](Oc2cc3ccc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 2 3
mol37040 ON=C(C[n+]1ccc2ccccc2c1)c1ccccc1 2 2
mol37041 ON=C(C[n+]1cccc2ccccc21)c1ccccc1 2 2