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-])c1[nH]c2ccccc2c1C(c1c2ccccc2[nH]c1C(=O)[O-])c1cc(Cl)cc([N+](=O)[O-])c1O ZINC000013153065 553456885 /nfs/dbraw/zinc/45/68/85/553456885.db2.gz SHGNRLBRVBRCMJ-UHFFFAOYSA-N -2 2 505.870 5.493 50 5 KKBALL COc1cc2c3c(ccc4c5ccc6c7c(cc(OC)c(c1c43)c57)-c1ccccc1C6OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])c1ccccc1-2 ZINC000004551894 552465887 /nfs/dbraw/zinc/46/58/87/552465887.db2.gz MORBSYVEZNOKEH-LQFQNGICSA-N -2 2 680.712 7.533 50 5 KKBALL