smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCNc1c2ccccc2[nH+]c2c1CCCC2 ZINC000021987043 257211711 /nfs/dbraw/zinc/21/17/11/257211711.db2.gz WOPFRKWPOKZFGW-UHFFFAOYSA-N 2 3 312.461 2.854 2 0 DFAFHP