smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[C@H]1C[N@H+](C2CCCCC2)CC[C@@H]1[NH3+] ZINC000096318672 169014224 /nfs/dbraw/zinc/01/42/24/169014224.db2.gz MOCHGBZSRBVYPK-ZFWWWQNUSA-N 2 1 238.419 3.159 1 0 BGAFMP