smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000216796550 557155556 /nfs/dbraw/zinc/15/55/56/557155556.db2.gz RZPKEUMIPFYPEN-UHFFFAOYSA-N 0 2 437.949 2.927 40 70 IFIBLN