smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCc1ccc(Nc2c3ccccc3nc3ccccc32)cc1 ZINC000026845013 182454838 /nfs/dbraw/zinc/45/48/38/182454838.db2.gz NOYBATCSJVAFRM-UHFFFAOYSA-N 1 3 313.404 4.633 1 10 DJCFHO