smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH2+][C@H](c1ccccc1O)[C@H]([NH2+]CCCC)c1ccccc1O ZINC000027896699 538548342 /nfs/dbraw/zinc/54/83/42/538548342.db2.gz NFHRPZIDRGLOPP-FGZHOGPDSA-N 2 2 356.510 4.660 1 10 FJCFLP