smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(=N/C12CC3CC(CC(C3)C1)C2)\C1CCCCC1 ZINC000005566713 166229472 /nfs/dbraw/zinc/22/94/72/166229472.db2.gz CQDPXDKIDCZYNO-LDADJPATSA-N 0 3 245.410 4.606 1 30 BJEFHN