Browse Molecules

Molecule ID SMILES Charge States Microspecies
mol5201 CN1CCC[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 2 2
mol5202 c1cncc(C2=NCCC2)c1 2 2
mol5203 COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C 2 2
mol5204 CN1CCCC1c1ccc[n+]([O-])c1 2 2
mol5205 Cn1cccc1-c1cccnc1 2 2
mol5206 O=C(OC1C[C@@H]2CC[C@@H](C1)N2)[C@H](CO)c1ccccc1 2 0
mol5207 c1cncc(-c2ccc[nH]2)c1 2 2
mol5208 CCCCCN1C[C@@H](C)C[C@@H](O)[C@@H]1[C@@H](C)c1ccc2c(c1C)C[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 0 0
mol5209 O=c1[nH]ccc2c1cnc1ccccc12 3 3
mol5210 COc1ccc(-[n+]2cc3c(=O)[nH]ccc3c3ccccc32)cc1OC 2 2
mol5211 CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C 3 4
mol5212 CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C 2 2
mol5213 O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 0 0
mol5214 OCC1CCN2CCC(O)C12 2 2
mol5215 CCCN1C[C@@H](C)C[C@@H](O)[C@@H]1[C@@H](C)c1ccc2c(c1C)C[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C 0 0
mol5216 CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3 2 2
mol5217 CN1C2CCC1[C@H](C(=O)O)[C@@H](O)C2 2 2
mol5218 COC(=O)C12CCC(CC(O)C1)N2C 2 2
mol5219 CN1[C@@H]2CC[C@H]1C[C@H](O)C2 2 2
mol5220 C[C@H]1CCN2CC[C@@H](O)[C@@H]12 2 2