smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(NC(=[NH2+])NCCCCCCNC(=[NH2+])NC(=N)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000014768621 553520746 /nfs/dbraw/zinc/52/07/46/553520746.db2.gz GHXZTYHSJHQHIJ-UHFFFAOYSA-N 2 3 505.458 3.337 50 30 aggregator,fda KGEAHP