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)N2CCN(C)CC2)cc1 ZINC000216796550 557155551 /nfs/dbraw/zinc/15/55/51/557155551.db2.gz RZPKEUMIPFYPEN-UHFFFAOYSA-N -1 0 437.949 2.927 40 70 IFIBRM