smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCCCCCC[n+]1cccc([C@@H]2CCC[N@@H+]2C)c1 ZINC000043068052 183333964 /nfs/dbraw/zinc/33/39/64/183333964.db2.gz BGANPLIPWUHOGW-FQEVSTJZSA-N 2 1 301.498 4.658 1 30 DJEFMP