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)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000217014267 395837520 /nfs/dbraw/zinc/83/75/20/395837520.db2.gz SGUYIBQCCYWIPA-OKILXGFUSA-N 0 3 319.405 0.538 40 70 DCIBHN