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-])c1ccccc1C(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000027825471 957164453 /nfs/dbraw/zinc/16/44/53/957164453.db2.gz NUXOZUFQIXZFBG-UHFFFAOYSA-N -1 0 335.319 2.008 40 50 EEGBRM N#C/C(=C\c1ccc(OCC(=O)[O-])cc1)C(=O)NCc1ccccc1 ZINC000002854877 956866451 /nfs/dbraw/zinc/86/64/51/956866451.db2.gz FOGUZHURLBRQHK-MHWRWJLKSA-N -1 0 336.347 2.373 40 50 EEGBRM COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)[O-])o1 ZINC000005006527 956871305 /nfs/dbraw/zinc/87/13/05/956871305.db2.gz NGPPXVPSSLIMTF-ZRDIBKRKSA-N -1 0 340.335 2.314 40 50 EEGBRM