Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol19781 O=C(Nc1cnccn1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 2 3
mol19782 O=C(Nc1ccon1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 2 2
mol19783 O=C(Nc1cc[nH]n1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 2 2
mol19784 O=C(Nc1noc2ccccc12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 2 2
mol19785 COc1ccnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 4 5
mol19786 COc1cnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c(C)c1OC 4 5
mol19787 COc1ccnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1OC 4 5
mol19788 COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1 4 5
mol19789 COc1cc2[nH]c([S+]([O-])Cc3nccc(OC)c3C)nc2cc1OC(F)F 3 4
mol19790 COc1c(C)cnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1C 3 4
mol19791 COc1cnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)cc1OC 4 5
mol19792 COc1ccnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1OC 4 5
mol19793 COc1cnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c(C)c1OC 4 5
mol19794 COc1ccnc(C[S+]([O-])c2nc3cc(F)c(OC(F)F)cc3[nH]2)c1OC 3 4
mol19795 COc1cc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)ncc1C 3 4
mol19796 COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)(F)C(F)F)ccc3[nH]2)c1OC 3 4
mol19797 COc1ccnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1C 4 5
mol19798 COc1ccnc(C[S+]([O-])c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C 3 4
mol19799 CCOc1c(Cl)cc(N2CCCCC2)cc1NC(=O)c1cc(C)c(OCCN)c(C)c1 2 3
mol19800 Cc1cccc(C)c1OC[C@@H](C)N 2 2