smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(C)cc(NCCC[NH+](C)C)[nH+]c2c1 ZINC000045298468 175354352 /nfs/dbraw/zinc/35/43/52/175354352.db2.gz GWIONPZEXLHRRV-UHFFFAOYSA-N 2 1 273.380 2.915 1 0 CFAFMP