smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNS(=O)(=O)NCc1cnc[nH]1 160788797 344177741 /nfs/dbraw/zinc/17/77/41/344177741.db2.gz OOAINUJPEZEQBU-UHFFFAOYSA-N 0 1 190.228 -1.037 20 70 AAIDMN