smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cccc(C(=O)N[C@H](C)c3[nH]cc(C)[nH+]3)c2)cc1 ZINC000218779994 564160916 /nfs/dbraw/zinc/16/09/16/564160916.db2.gz UQXKTGFMPMZKKN-CQSZACIVSA-N 1 2 335.407 3.885 10 70 EHIELO COc1ccc(-c2cccc(C(=O)N[C@@H](C)c3[nH]cc(C)[nH+]3)c2)cc1 ZINC000218779915 564160922 /nfs/dbraw/zinc/16/09/22/564160922.db2.gz UQXKTGFMPMZKKN-AWEZNQCLSA-N 1 2 335.407 3.885 10 70 EHIELO