smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)[O-])cc1 ZINC000100297082 563591713 /nfs/dbraw/zinc/59/17/13/563591713.db2.gz VTKKMMCSJXRIKE-VHEBQXMUSA-N -2 0 322.324 4.000 50 10 DHCARL O=c1nc(-c2sc3ccccc3c2[O-])[n-]c2ccsc21 ZINC000006585800 181357619 /nfs/dbraw/zinc/35/76/19/181357619.db2.gz BWDWYDWFUNGWCQ-UHFFFAOYSA-N -2 0 300.364 3.572 50 10 DHCARL