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(=N/OCC(=O)OCc1nc2ccsc2c(=O)[n-]1)c1ccc2c(c1)OCO2 ZINC000038596582 518454864 /nfs/dbraw/zinc/45/48/64/518454864.db2.gz AWABEWIDRPRIQH-FBHDLOMBSA-N -1 3 401.400 2.197 10 30 HEEEHM