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(Nc1cccc(O)c1Br)c1ccc([N+](=O)[O-])[nH]1 ZINC001298220438 1323460601 /nfs/dbraw/zinc/46/06/01/1323460601.db2.gz YWBMRRDVGWFQIM-UHFFFAOYSA-N -2 2 326.106 2.643 10 5 EFBELL