smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[P@H]([O-])c1cc2ccccc2c2ccccc21 ZINC000006576388 342779587 /nfs/dbraw/zinc/77/95/87/342779587.db2.gz QYXLEOICNCANHI-UHFFFAOYSA-N -1 1 242.214 3.085 40 5 BGBBMM O=[N+]([O-])c1ccc([O-])c(C2CCCCC2)c1 ZINC000031308446 343217043 /nfs/dbraw/zinc/21/70/43/343217043.db2.gz JXGVRKOUPGWANZ-UHFFFAOYSA-N -1 1 221.256 3.348 40 5 BGBBMM