Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol16241 CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)nc2C)c1C 2 3
mol16242 Cc1ccc(-c2cc3c(NCP(=O)(O)O)ncnc3s2)cc1 2 4
mol16243 Cc1ccc(-c2cc3c(CCP(=O)(O)O)ncnc3s2)cc1 2 3
mol16244 CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NCCN)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 2 5
mol16245 CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NCCN(C)C)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 2 4
mol16246 NC1CCN(OCc2ccccc2)C1=O 2 2
mol16247 C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1 2 4
mol16248 CC(C)=CCOC[n+]1ccn(C)c1/C=N/O 2 2
mol16249 CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)C2CCCCC2NS(=O)(=O)C(F)(F)F)cc1 2 2
mol16250 O=C(Nc1ccc(C2CCN(C(=O)[C@H]3CC[C@H](C(=O)O)CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F 2 2
mol16251 Cc1cc(OCCN2CCOCC2)nn1-c1ccc2ccccc2c1 2 2
mol16252 NC(=O)CCN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 2 2
mol16253 O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)C(O)[C@H](F)C2O)cc1F 2 2
mol16254 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C 2 2
mol16255 Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1 2 5
mol16256 C1CC2CCC1CN2 2 2
mol16257 Cc1c(CC(=O)O)c(-c2ccccc2)nn1Cc1ccccc1S(=O)(=O)c1ccccc1 2 2
mol16258 Cc1nn(-c2cccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2)c(C)c1CC(=O)O 2 2
mol16259 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1 2 6
mol16260 NCC1C2c3ccccc3C(c3ccccc32)C1CN 2 2