smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NC(=O)C(=O)C(Cc2c([O-])[nH]c(=S)[n-]c2=O)=C([O-])c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000102977452 555186571 /nfs/dbraw/zinc/18/65/71/555186571.db2.gz FOOGIACKRONMOH-KRWDZBQOSA-N -3 3 548.533 2.301 40 5 KEBBHL COc1ccc(NC(=O)C([O-])=C(Cc2c([O-])[nH]c(=S)[n-]c2=O)C(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000102977452 555186570 /nfs/dbraw/zinc/18/65/70/555186570.db2.gz FOOGIACKRONMOH-KRWDZBQOSA-N -3 3 548.533 2.301 40 5 KEBBHL COc1ccc(NC(=O)C(=O)C(Cc2c([O-])[nH]c(=S)[n-]c2=O)=C([O-])c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000102977454 555186826 /nfs/dbraw/zinc/18/68/26/555186826.db2.gz FOOGIACKRONMOH-QGZVFWFLSA-N -3 3 548.533 2.301 40 5 KEBBHL COc1ccc(NC(=O)C([O-])=C(Cc2c([O-])[nH]c(=S)[n-]c2=O)C(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000102977454 555186822 /nfs/dbraw/zinc/18/68/22/555186822.db2.gz FOOGIACKRONMOH-QGZVFWFLSA-N -3 3 548.533 2.301 40 5 KEBBHL