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](c3ccc(Cl)cc3Cl)N[C@@H](Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 ZINC000217730576 569881267 /nfs/dbraw/zinc/88/12/67/569881267.db2.gz JZNSHSOKIWJMSS-AFXVXQJMSA-N 0 3 451.353 5.055 50 70 JKIAHN