Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol29701 O=C1CCC[C@@H]2[C@H]3CCC[N+]4(O)CCC[C@@H](CN12)[C@@H]34 2 2
mol29702 CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O 3 6
mol29703 Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 2 5
mol29704 Nc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 2 5
mol29705 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O 2 0
mol29706 CC(=O)Nc1nc2c(ncn2COCCO)c(=O)[nH]1 2 3
mol29707 Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 3 5
mol29708 COCCNCCn1cnc2c1c(=O)[nH]c(=O)n2C 2 2
mol29709 OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O 4 9
mol29710 O=S(=O)(O)CC(O)CN1CCN(CCO)CC1 2 3
mol29711 CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 2 2
mol29712 CCCCN1C(=O)N(CCCC)C(=O)C(C)(C)C1=O 0 0
mol29713 O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 3 7
mol29714 O=c1c(O)c(-c2ccccc2)oc2cc(O)cc(O)c12 4 6
mol29715 Nc1ncccc1C(=O)Nc1nc2ccccc2s1 3 5
mol29716 O=C(O)[C@H]1OC(Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O 2 2
mol29717 COc1cccc(C2Nc3ccccc3C(=O)N2O)c1 2 2
mol29718 CN1CC[C@H](C(=O)O)C2c3cccc4[nH]cc(c34)C[C@H]21 3 3
mol29719 CN1[C@@H]2Cc3c[nH]c4cccc(c34)C2CC[C@H]1C(=O)O 3 3
mol29720 COc1ccc2c(c1)[C@]13CCCC[C@H]1[C@H](C2)N(C)CC3 2 2