smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(/C=C2/Oc3c(ccc(O)c3C[NH+](CC)CC)C2=O)cc1 ZINC000036065987 571079517 /nfs/dbraw/zinc/07/95/17/571079517.db2.gz FNVWYYZXEGAYQK-DEDYPNTBSA-N -1 2 367.445 4.249 50 30 FIEALM C=CCc1c([O-])c(C(=O)c2ccccc2)cc(C(=O)c2ccccc2)c1O ZINC000002389459 571124951 /nfs/dbraw/zinc/12/49/51/571124951.db2.gz FSYGSBMXRNPJAD-UHFFFAOYSA-N -1 2 358.393 4.288 50 30 FIEALM