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 183287523 /nfs/dbraw/zinc/28/75/23/183287523.db2.gz KONUTRXTUUBGKS-BUHFOSPRSA-N -2 3 214.224 3.513 40 10 BHCBHL