smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC000068606279 569303796 /nfs/dbraw/zinc/30/37/96/569303796.db2.gz GEFVPPCIDGNGSE-UHFFFAOYSA-N 2 0 441.532 1.536 40 5 IDBBRP