smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[NH2+]CCNc1c2ccccc2nc2cc(Cl)ccc21 ZINC000004428561 181109101 /nfs/dbraw/zinc/10/91/01/181109101.db2.gz NECKSCNRKKDNBP-UHFFFAOYSA-N 1 3 315.804 3.035 40 10 DGCBHO COc1ccc2nc3cc(Cl)ccc3c(NCC[NH3+])c2c1 ZINC000004748021 181147759 /nfs/dbraw/zinc/14/77/59/181147759.db2.gz BBHBBFNAIGRZEZ-UHFFFAOYSA-N 1 3 301.777 3.421 40 10 DGCBHO