smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(cc1Cl)SC(=C([O-])c1cccc([N+](=O)[O-])c1)[N-]S2(=O)=O ZINC000040862925 207611621 /nfs/dbraw/zinc/61/16/21/207611621.db2.gz TYMWKAVAHAYVMM-HNNXBMFYSA-N -2 3 398.849 3.150 1 5 GGBFHL CCNC(=O)c1cc(-c2c([O-])cc([O-])cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000095921246 222360830 /nfs/dbraw/zinc/36/08/30/222360830.db2.gz DAESMMVDEWYEKZ-UHFFFAOYSA-N -2 3 385.332 3.203 1 5 in-vitro GGBFHL