Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol15021 O=C(O)C(c1ccc(-c2ccccc2)cc1)C1(O)CCCC1 2 2
mol15022 CCN(CC)Cc1cn2nc(-c3ccccc3)cc(C)c2n1 3 4
mol15023 CCCc1c(O)n2c3cc(C)ccc3nc(N(C)C)n2c1=O 2 2
mol15024 CNc1nccn2cc(-c3ccc([S+](C)[O-])cc3OC)nc12 2 4
mol15025 Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 3 6
mol15026 Cn1nc(-c2ccccc2)ccc1=NCCN1CCOCC1 2 3
mol15027 Cc1cc(-c2ccccc2)nn(CCN2CCOCC2)c1=N 2 4
mol15028 C[n+]1nc(-c2ccccc2)ccc1NCCN1CCOCC1 2 2
mol15029 Cc1cc(-c2ccccc2)n[n+](CCN2CCOCC2)c1N 2 2
mol15030 Clc1cc(-c2ccccc2)nnc1NCCN1CCOCC1 3 5
mol15031 COc1cc(NS(C)(=O)=O)ccc1-c1cn2cccnc2n1 2 4
mol15032 Nc1ccc(-c2ccc(/N=C/c3ccc(O)cc3)cc2)cc1 3 5
mol15033 Nc1ccc(-c2ccc(/N=C/c3ccccc3O)cc2)cc1 3 5
mol15034 CCCCc1c(-c2ccccc2)nn(-c2ccccc2)c1O 2 2
mol15035 CCN(CC)CC(=O)NC1c2ccccc2-c2ccccc21 2 2
mol15036 CCOc1ccc2nc(/C=C/c3ccccc3)cc(N)c2c1 2 3
mol15037 Cc1cc2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2cc1C 2 2
mol15038 c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 2 2
mol15039 CC(C=C(c1cccs1)c1cccs1)N1CCCCCCC1 2 2
mol15040 COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)N2C 2 2