smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000216804060 571598253 /nfs/dbraw/zinc/59/82/53/571598253.db2.gz HMMDWGMBPNJZDU-UHFFFAOYSA-N 0 3 514.873 3.504 40 70 KHIBHN CN1CCC(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000216806512 571598275 /nfs/dbraw/zinc/59/82/75/571598275.db2.gz MNWWYXVYTRFVRS-UHFFFAOYSA-N 0 3 514.873 3.504 40 70 KHIBHN CN1CCC(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000216807838 571598451 /nfs/dbraw/zinc/59/84/51/571598451.db2.gz MHZGJAHPCZKNHN-UHFFFAOYSA-N 0 3 514.873 3.504 40 70 KHIBHN