smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCCCCCCCC[n+]1cccc([C@@H]2CCC[N@@H+]2C)c1 ZINC000038496835 183000147 /nfs/dbraw/zinc/00/01/47/183000147.db2.gz VELNRUQKTBZUOH-NRFANRHFSA-N 2 1 315.525 5.048 1 30 DKEFMP