Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol17101 O=C(c1ccc(Cl)cc1)c1ccc(OC2CN3CCC2CC3)cc1 2 2
mol17102 O=C(C1CCN(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 2 4
mol17103 O=C(C1CCN(c2ccncc2F)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 2 4
mol17104 O=C(N1CCC(c2ccncc2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2 3
mol17105 O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1 2 2
mol17106 O=C(N1CCN(c2ccncc2Cl)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 2 4
mol17107 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 6 23
mol17108 CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)N[C@]12CC[C@@H](OC)CC2 2 3
mol17109 O=C1C2=C(CCCC2)C(=O)N1c1ccc(Cl)cc1 0 0
mol17110 CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 0 0
mol17111 CC(Cl)/C=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C 2 2
mol17112 Brc1cccc(Br)c1N(Cc1ccco1)C1=NCCN1 2 2
mol17113 Cc1cccc(Cl)c1N(CC1CC1)C1=NCCN1 2 2
mol17114 C#CCN(C1=NCCN1)c1c(Br)cccc1Br 2 2
mol17115 CCCCN(C1=NCCN1)c1c(Br)cccc1Br 2 2
mol17116 Brc1cccc(Br)c1N(CC1CCCCC1)C1=NCCN1 2 2
mol17117 N=C(N)N(CC1CC1)c1c(Br)cccc1Br 2 2
mol17118 Brc1cccc(Br)c1N(C1=NCCN1)C1CCCC1 2 2
mol17119 Brc1cccc(Br)c1N(CC1CC1)C1=NCCCN1 2 2
mol17120 CC(C)CN(C1=NCCN1)c1c(Br)cccc1Br 2 2