smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccccc1NC(=O)CSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1 ZINC000005737971 570913167 /nfs/dbraw/zinc/91/31/67/570913167.db2.gz IQXCNMDGUZOPMX-UHFFFAOYSA-N -2 2 378.413 2.026 10 30 GEEELL