smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS(=O)(=O)NCc1ccc(C(=O)NNC(=O)NCCNC(=O)[O-])o1 ZINC000829687448 603922096 /nfs/dbraw/zinc/92/20/96/603922096.db2.gz LGTRYINVHORAOA-UHFFFAOYSA-N -1 2 363.352 -1.460 20 50 FAGDLM