smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc2[nH]c(-c3ccccc3Cl)cc2c([O-])c1 ZINC000072114303 176318584 /nfs/dbraw/zinc/31/85/84/176318584.db2.gz MKEMNOTZGGCWJM-UHFFFAOYSA-N -1 1 288.690 4.102 1 5 CIBFMM [O-]c1c2oc3ccc(O)cc3c2cc2ccccc12 ZINC000006041749 170170815 /nfs/dbraw/zinc/17/08/15/170170815.db2.gz UFWRXRXIYVWMBV-UHFFFAOYSA-N -1 1 250.253 4.150 1 5 CIBFMM