smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)P(C1=CCC=C1)C(C)C ZINC000098074338 343704954 /nfs/dbraw/zinc/70/49/54/343704954.db2.gz PVOZOEVMVWBHIV-UHFFFAOYSA-N 0 3 182.247 4.129 50 0 AIAAHN