smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCCNC(=O)CSc1nc(O)cc(=O)[nH]1 ZINC000100999695 557281052 /nfs/dbraw/zinc/28/10/52/557281052.db2.gz NFIZYHWJWIPVKY-UHFFFAOYSA-N -2 2 425.639 4.720 40 30 IJEBLL