smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(-c2ccccc2)n(/N=N/n2c3cccc[n+]3c(C)c2-c2ccccc2)c2cccc[n+]12 ZINC000003830826 562938992 /nfs/dbraw/zinc/93/89/92/562938992.db2.gz NJAGGYXZTILBMJ-QVIHXGFCSA-N 2 0 444.542 5.396 10 10 in-man IKCERP