smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC[NH2+]CCCNc1c2ccccc2[nH+]c2cccc([N+](=O)[O-])c21 ZINC000027435449 494868267 /nfs/dbraw/zinc/86/82/67/494868267.db2.gz NTEFHWSDYCVUDW-UHFFFAOYSA-N 3 2 367.453 3.249 40 10 FGCBLP