smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)c1ccc(/N=N/c2ccc([N+](C)(C)C)cc2)cc1 ZINC000004533331 560198490 /nfs/dbraw/zinc/19/84/90/560198490.db2.gz KSOCVFUBQIXVDC-FMQUCBEESA-N 2 0 298.434 4.495 10 10 in-vitro CICERP