smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2nc3ccc(/[NH+]=C/N4CCCCC4)cc3nc2N2CCN(C)CC2)CC1 ZINC000053257446 563141637 /nfs/dbraw/zinc/14/16/37/563141637.db2.gz HIYAVBQTNLXRPJ-NCELDCMTSA-N 1 3 436.608 2.279 1 30 IEEFHO