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-])c1c(F)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000328594288 569415705 /nfs/dbraw/zinc/41/57/05/569415705.db2.gz QOBSMHUQKOMLID-UHFFFAOYSA-N -1 2 409.178 3.540 50 5 HHBALM O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)ccc1F ZINC000328596038 569416074 /nfs/dbraw/zinc/41/60/74/569416074.db2.gz OXVJEFUBCWETGC-UHFFFAOYSA-N -1 2 409.178 3.540 50 5 HHBALM CCCCCn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c([O-])c2ccccc21 ZINC000100469616 559203262 /nfs/dbraw/zinc/20/32/62/559203262.db2.gz VAUDCLVMJCRQQU-UHFFFAOYSA-N -1 2 411.414 3.763 50 5 HHBALM