smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(CC(=O)OCCCS(=O)(=O)[O-])C(=O)OCCCS(=O)(=O)[O-] ZINC000025723477 206749721 /nfs/dbraw/zinc/74/97/21/206749721.db2.gz BYLRZCIZXYKLQL-UHFFFAOYSA-N -2 0 374.389 -0.425 10 30 FBEERL