smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1CCCCN1[C@@]21c2ccccc2N(Cc2ccc(F)cc2)C1=O ZINC000217695650 569881067 /nfs/dbraw/zinc/88/10/67/569881067.db2.gz XBBKJXQYCRFCCP-TUAOVVRQSA-N 0 3 495.554 4.242 50 70 JIIAHN