smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC/[NH+]=C(/C)c1ccccc1O 17039953 171211211 /nfs/dbraw/zinc/21/12/11/171211211.db2.gz YVFXJXHNKBAXQW-XFXZXTDPSA-N -1 2 177.247 2.611 50 30 AFEALM