smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[N@@H+]1CCC[NH2+]CC1 ZINC000100413846 566878425 /nfs/dbraw/zinc/87/84/25/566878425.db2.gz NJZGYGQHWCFDMA-UHFFFAOYSA-N 2 0 296.543 4.983 40 30 CJEBRP CCCCCCCC[NH2+]CC[NH2+]CCCCCCCC ZINC000100924963 567914178 /nfs/dbraw/zinc/91/41/78/567914178.db2.gz NUJYLAZPRJJAHR-UHFFFAOYSA-N 2 0 284.532 4.887 40 30 CJEBRP