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([O-])CC1=NC(C(=O)[O-])C(O)=C1 575435702 352202153 /nfs/dbraw/zinc/20/21/53/352202153.db2.gz HVQUPBWZOYIDAT-UHFFFAOYSA-N -2 2 185.135 0.046 40 0 ACABLL