smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCC1CCOCC1)c1c[nH]c2ccc(F)cc2c1=O ZINC000218121513 402295070 /nfs/dbraw/zinc/29/50/70/402295070.db2.gz ULVRKSQXDVZOFL-UHFFFAOYSA-N -1 2 304.321 2.236 50 70 DEIALM