smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1ccccc1C(=O)C(=O)c1ccccc1C[NH+](C)C ZINC000090502413 185299542 /nfs/dbraw/zinc/29/95/42/185299542.db2.gz QYERLAOMDOKVDL-UHFFFAOYSA-N 2 2 324.424 2.875 40 10 DFCBLP