smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCNCc1ccc(C)cc1Cl 161075061 486978703 /nfs/dbraw/zinc/97/87/03/486978703.db2.gz OLMQGKYIVJDWRG-UHFFFAOYSA-N 0 3 197.709 3.148 20 70 AGIDHN