smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNc1c2ccc(Cl)cc2nc2ccc(Cl)cc21 ZINC000028012109 202163747 /nfs/dbraw/zinc/16/37/47/202163747.db2.gz DTWURDPNZFDXQI-UHFFFAOYSA-N 1 1 348.277 5.058 10 10 EKCEMO