smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCCN(Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)CC1 ZINC000217344882 568471732 /nfs/dbraw/zinc/47/17/32/568471732.db2.gz IHZGDZQWYPFHOW-QHCPKHFHSA-N 2 0 403.611 3.218 50 70 HGIARP