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-])c1cc([N+](=O)[O-])c(C(=O)[O-])cc1Oc1ccc(Cl)cc1Cl ZINC000000813275 203952589 /nfs/dbraw/zinc/95/25/89/203952589.db2.gz FPGLOEFBBNEWMN-UHFFFAOYSA-N -2 0 372.116 4.090 50 5 FIBARL O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2ccc([O-])c([N+](=O)[O-])c2)ccc1[O-] ZINC000037246177 571082274 /nfs/dbraw/zinc/08/22/74/571082274.db2.gz XYTIHPHDAUABSN-UHFFFAOYSA-N -2 0 371.132 4.109 50 5 FIBARL