smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCOc1ccc(/C=N/CCCCCC/[NH+]=C/c2ccc(OCCCC)cc2)cc1 ZINC000012410700 520854451 /nfs/dbraw/zinc/85/44/51/520854451.db2.gz YVCZIWWQPNEJPY-HCTXVGCHSA-N 1 3 436.640 7.143 40 30 IKEBHO