smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)Cc1cn(Cc2ccc([N+](C)(C)C)cc2)c2ccccc12 ZINC000103300520 219287515 /nfs/dbraw/zinc/28/75/15/219287515.db2.gz BUJVJHUFYAPFIY-UHFFFAOYSA-N 2 0 337.511 4.093 1 10 EICFRP