smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(O)c(/C(CCCCC(=O)[O-])=N/[O-])c1 ZINC000005541886 170110942 /nfs/dbraw/zinc/11/09/42/170110942.db2.gz PGRLWGRKOAGOHO-SDNWHVSQSA-N -2 1 251.282 2.524 40 30 CFEBML O=C([O-])c1ccc(COc2ccccc2C=N[O-])cc1 ZINC000254709000 383470528 /nfs/dbraw/zinc/47/05/28/383470528.db2.gz YKKLUCYHSGZYCQ-UHFFFAOYSA-N -2 1 271.272 2.772 40 30 CFEBML [O-]/N=C(/C=N/N=C/C(=N\[O-])c1ccccc1)c1ccccc1 ZINC000225620951 382819343 /nfs/dbraw/zinc/81/93/43/382819343.db2.gz GXVYEOGDFWASBX-UNJCYEQISA-N -2 1 294.314 2.800 40 30 CFEBML