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-])CC[C@H](NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000020573743 487611316 /nfs/dbraw/zinc/61/13/16/487611316.db2.gz WJEWJEIMIJJIPN-IEHMKBBKSA-N -2 2 361.310 0.061 50 10 FCCALL O=C([O-])CC[C@@H](NC=C1C(=O)NC(=O)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000020573742 487611363 /nfs/dbraw/zinc/61/13/63/487611363.db2.gz WJEWJEIMIJJIPN-HIJJYWJESA-N -2 2 361.310 0.061 50 10 FCCALL