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-])C(=O)C=C(O)c1ccc2ncc(C(=O)C=C(O)C(=O)[O-])c(O)c2c1 ZINC000103220539 222326657 /nfs/dbraw/zinc/32/66/57/222326657.db2.gz APIOKBMGYJFPOL-JWZUQALGSA-N -2 2 373.273 0.947 1 30 FCEFLL