smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1c2[nH]c3ccc(Br)cc3c2nc2ccccc21 ZINC000004298593 201595786 /nfs/dbraw/zinc/59/57/86/201595786.db2.gz NBNHXTSBMBIUDS-UHFFFAOYSA-N -1 0 341.164 4.330 30 5 EIBCRM