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-])c1cc(-c2ccc(/C=N/[O-])o2)ccc1Cl ZINC000069593502 260261737 /nfs/dbraw/zinc/26/17/37/260261737.db2.gz WUJPRVSWGPIOFV-MKMNVTDBSA-N -2 1 265.652 3.106 10 30 CGEEML