smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC#C[C@H]1CCC[NH2+]1 34353353 343117203 /nfs/dbraw/zinc/11/72/03/343117203.db2.gz ZPVLKRWFLXAUJC-SECBINFHSA-N 2 0 152.241 0.303 30 30 ACECRP