smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)[N+]12CCC(CC1)[C@@H](OC(=O)[C@](C)(c1ccccc1)[NH+]1CCCCC1)C2 ZINC000073160017 717133560 /nfs/dbraw/zinc/13/35/60/717133560.db2.gz RHTDCYORTDFEFL-WILGIRNMSA-N 2 2 413.626 4.729 1 5 HJBFLP