smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000012735658 527405891 /nfs/dbraw/zinc/40/58/91/527405891.db2.gz YJIPIFLHNBTVIL-UHFFFAOYSA-N -1 3 435.771 2.788 20 5 IFBDHM