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+](CC)(CC)CCCCCCCC[N+](CC)(CC)CC ZINC000005063741 181199399 /nfs/dbraw/zinc/19/93/99/181199399.db2.gz UVBQZPGBZPPXGK-UHFFFAOYSA-N 2 0 314.602 5.080 40 5 DKBBRP