smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC#CP(CC)CC ZINC000584601734 346721104 /nfs/dbraw/zinc/72/11/04/346721104.db2.gz BLQZQUITRGPHBU-UHFFFAOYSA-N 0 1 198.290 4.439 10 30 AIEEMN CCCCCCC#CP(C)C(C)C ZINC000584606129 346722924 /nfs/dbraw/zinc/72/29/24/346722924.db2.gz FEHZPSOFTFGDTC-UHFFFAOYSA-N 0 1 198.290 4.438 10 30 AIEEMN