smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N+](CCCC)(CCCC)CCC[NH3+] ZINC000034263442 717123827 /nfs/dbraw/zinc/12/38/27/717123827.db2.gz XHEGOOVFKQGTHM-UHFFFAOYSA-N 2 0 243.459 3.552 10 5 BHBERP