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-])CN(CCN(CC(=O)[O-])CC(=O)NCCc1ccc(O)c(O)c1)CC(=O)[O-] ZINC000023255784 557079241 /nfs/dbraw/zinc/07/92/41/557079241.db2.gz ALYDDNGHSMKTPS-UHFFFAOYSA-N -3 0 427.410 -1.386 40 10 IACBRL