smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CCC[NH3+])c2c1 ZINC000027073758 204858331 /nfs/dbraw/zinc/85/83/31/204858331.db2.gz CRJJDBAWNQENQC-UHFFFAOYSA-N 3 0 372.900 3.790 10 10 FHCERP