smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc(/N=N/c2cccc(O)c2)c1 ZINC000013403691 183287519 /nfs/dbraw/zinc/28/75/19/183287519.db2.gz KONUTRXTUUBGKS-BUHFOSPRSA-N -2 1 214.224 3.513 40 10 BHCBML