smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(Cc1ccccc1O)C(=O)Nc1c(C)cccc1C(C)C ZINC000078800718 217124415 /nfs/dbraw/zinc/12/44/15/217124415.db2.gz HSKNNAXZERTTQG-UHFFFAOYSA-N 0 0 340.467 5.268 20 10 EKCDRN