smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2c[n-]nc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1Br ZINC000020663918 195197082 /nfs/dbraw/zinc/19/70/82/195197082.db2.gz FKPGKSKWKRMTGM-UHFFFAOYSA-N -1 3 458.297 4.072 10 5 JIBEHM O=c1c2cn[n-]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1Br ZINC000020663918 195197083 /nfs/dbraw/zinc/19/70/83/195197083.db2.gz FKPGKSKWKRMTGM-UHFFFAOYSA-N -1 3 458.297 4.072 10 5 JIBEHM Cc1ccc([N+](=O)[O-])c(NC(=O)C([O-])=Cc2nc3ccccc3nc2C(=O)Nc2ccccc2C)c1C ZINC000033780348 569634651 /nfs/dbraw/zinc/63/46/51/569634651.db2.gz ZGKGNCIQEBYGRQ-UHFFFAOYSA-N -1 3 497.511 4.466 10 5 JIBEHM