Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol15101 NNC(=O)C(Cc1c[nH]cn1)NC(=O)OCc1ccccc1 3 3
mol15102 CCCCN(CCCC)c1nnc(-c2ccccc2)cc1C 2 4
mol15103 Cc1ccccc1C(=NCCCN(C)C)c1ccccc1N 4 8
mol15104 CCNC(=CC(=O)c1cccc(S(=O)(=O)O)c1)n1ccnc1 2 4
mol15105 CN(C)CCNS(=O)(=O)c1cccc2c(N(C)C)cccc12 4 5
mol15106 Cc1[nH]cnc1CSCCNC(=N)NCCCc1c[nH]cn1 4 7
mol15107 Oc1cccc2c1-c1cccc(O)c1-2 2 2
mol15108 Oc1cccc2c1-c1c(O)cccc1-2 2 2
mol15109 O=C(O)C12CC3CC(CC(F)(C3)C1)C2 2 2
mol15110 Oc1ccc2c(c1)Cc1ccccc1-2 2 2
mol15111 Cn1ccc2ccc3cccnc3c21 2 2
mol15112 Cc1nccc2c1[nH]c1ccccc12 3 3
mol15113 CC1=NCCc2c1[nH]c1ccccc21 3 3
mol15114 c1cc[n+]2c(c1)C[n+]1ccccc1C2 0 0
mol15115 C[n+]1cccc2c3ccccc3[nH]c21 2 2
mol15116 OC1(c2ccco2)CN2CCC1CC2 2 2
mol15117 O=S1(=O)Nc2cccc3cccc1c23 2 2
mol15118 CN1CCn2c(nc3ccccc32)C1 2 3
mol15119 O=C1OC2C3CC4C2C4(C(=O)O)C13Br 2 2
mol15120 CC(C)=CCC1C(=O)C(C(=O)CC(C)C)C(=O)C(CC=C(C)C)(CC=C(C)C)C1=O 2 3