smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)Nc1cc([N+](C)(C)C)ccc1OCCOc1ccc([N+](C)(C)C)cc1 ZINC000001559980 557272319 /nfs/dbraw/zinc/27/23/19/557272319.db2.gz PLOLMITXLKZIGB-UHFFFAOYSA-O 2 0 417.550 4.106 40 10 HICBRP