Browse Molecules

Molecule ID SMILES Charge States Microspecies
euroSAMPL-13 Oc1ccc(-c2nnco2)cc1 2 2
euroSAMPL-14 Cc1ncnc(O)c1Br 2 2
euroSAMPL-15 CC(=O)c1sc2ccccc2c1O 2 2
euroSAMPL-16 CC(C)CC(=O)Nc1cccc(O)c1 2 2
euroSAMPL-17 O=C(O)c1cccc(-n2cccc2)c1 2 2
euroSAMPL-18 CCc1cc2c(=O)[nH]cnc2s1 2 2
euroSAMPL-19 Cc1nc2ccccn2c1CO 2 2
euroSAMPL-20 CN1C(=O)C(C)(C)c2cc(C(=O)O)ccc21 2 2
euroSAMPL-21 CC(C)(C)c1cc2nc(C3CC3)cc(C(=O)O)n2n1 2 3
euroSAMPL-22 CN(C)C(=O)c1ccccc1O 2 2
euroSAMPL-23 CCc1ncc(C(=O)O)c(C)n1 2 4
euroSAMPL-24 Cc1cc(N2CCOCC2)c2ccccc2n1 2 3
euroSAMPL-25 Cc1cc2ncn(CCC(N)=O)c2cc1C 2 2
euroSAMPL-26 O=c1[nH]cnc2ccc(F)cc12 2 2
euroSAMPL-27 NC(=O)c1ccc(-c2ccccn2)cc1 2 2
euroSAMPL-28 Cn1ccnc1-c1cccnc1 2 3
euroSAMPL-29 Cc1ccc(-n2nnc(C(=O)O)c2C2CC2)cc1 2 2
euroSAMPL-30 O=C(NCCO)c1cc2ccccc2cc1O 2 2
euroSAMPL-31 O=C(O)CN1C(=O)COc2ccccc21 2 2
euroSAMPL-32 CN1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 2 2