smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[NH2+]Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O ZINC000001585700 562921500 /nfs/dbraw/zinc/92/15/00/562921500.db2.gz BCHMRNALCJISMZ-UHFFFAOYSA-N 2 2 466.412 7.546 10 10 in-man JKCELP