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 566878428 /nfs/dbraw/zinc/87/84/28/566878428.db2.gz NJZGYGQHWCFDMA-UHFFFAOYSA-N 2 1 296.543 4.983 40 30 CJEBMP