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-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=N/[O-])cc1 ZINC000409068326 564009385 /nfs/dbraw/zinc/00/93/85/564009385.db2.gz RXJNKXZIQWJBAX-CNHKJKLMSA-N -2 1 340.162 4.079 40 30 EIEBML O=C([O-])c1cccc(-n2cccc2/C=N\c2ccc(Cl)cc2[O-])c1 ZINC000409091021 564009768 /nfs/dbraw/zinc/00/97/68/564009768.db2.gz SGTDJYBSBFJRGY-JAIQZWGSSA-N -2 1 340.766 4.285 40 30 EIEBML CCCCCCCCC/C(=N\[O-])c1ccc(OCC(=O)[O-])cc1O ZINC000100925738 563982805 /nfs/dbraw/zinc/98/28/05/563982805.db2.gz HHLBHVCXGCZVID-KNTRCKAVSA-N -2 1 337.416 4.175 40 30 EIEBML O=C([O-])c1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2[O-])cc1 ZINC000409248100 564011321 /nfs/dbraw/zinc/01/13/21/564011321.db2.gz FZVXIKFZBXLVDK-JAIQZWGSSA-N -2 1 340.766 4.285 40 30 EIEBML