smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1ccc(NC(P(=O)([O-])O)[P@@](=O)([O-])O)cc1 ZINC000005838558 181288595 /nfs/dbraw/zinc/28/85/95/181288595.db2.gz KMYNACROKQZKCW-UHFFFAOYSA-N -2 2 323.222 2.080 1 0 DEAFLL CCCCc1ccc(NC(P(=O)([O-])O)[P@](=O)([O-])O)cc1 ZINC000005838558 181288598 /nfs/dbraw/zinc/28/85/98/181288598.db2.gz KMYNACROKQZKCW-UHFFFAOYSA-N -2 2 323.222 2.080 1 0 DEAFLL