smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNC(=O)C[NH+]1CCN(Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000160737945 392858020 /nfs/dbraw/zinc/85/80/20/392858020.db2.gz VRQSXRKJNAZXNI-UHFFFAOYSA-N -1 2 307.398 -0.002 20 70 DBIDLM