smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(COCC[NH+]1CCOCCOCCOCCOCC1)OCC[NH+]1CCOCCOCCOCCOCC1 ZINC000098000037 554048081 /nfs/dbraw/zinc/04/80/81/554048081.db2.gz MVJXVBNBLJMTEI-UHFFFAOYSA-N 2 1 552.706 -0.216 50 0 KBAAMP