smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([O-])c1ccc(/N=N\c2ccccc2)c2c([O-])cccc12 ZINC000100368164 219097628 /nfs/dbraw/zinc/09/76/28/219097628.db2.gz BDGXTLNETVWTNN-ZCXUNETKSA-N -2 3 328.349 4.208 40 10 EICBHL CC(C)=CCc1c([O-])ccc2c(=O)cc(-c3ccc([O-])c(O)c3)oc21 ZINC000014819385 563982967 /nfs/dbraw/zinc/98/29/67/563982967.db2.gz MXLIDQIPMAHDLB-UHFFFAOYSA-N -2 3 338.359 4.086 40 10 biogenic EICBHL O=S(=O)([O-])c1ccc(N=Nc2ccccc2)c2c([O-])cccc12 ZINC000003845154 564128926 /nfs/dbraw/zinc/12/89/26/564128926.db2.gz BDGXTLNETVWTNN-UHFFFAOYSA-N -2 3 328.349 4.208 40 10 EICBHL