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-])c1cccc(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c1 ZINC000005030626 563519380 /nfs/dbraw/zinc/51/93/80/563519380.db2.gz VZBPGKIAWCMHSA-UHFFFAOYSA-N -2 0 332.311 3.969 40 5 EHBBRL Nc1ccc(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1 ZINC000005223920 564031718 /nfs/dbraw/zinc/03/17/18/564031718.db2.gz UTUYQGGHTUQHQQ-UHFFFAOYSA-N -2 0 347.326 3.551 40 5 biogenic,in-vitro EHBBRL Nc1ccc(C(=O)[O-])c(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c1 ZINC000003861469 210080549 /nfs/dbraw/zinc/08/05/49/210080549.db2.gz YHVSFLYWEAWYQT-UHFFFAOYSA-N -2 0 347.326 3.551 40 5 EHBBRL O=C([O-])c1ccc(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)cc1 ZINC000005030632 210368724 /nfs/dbraw/zinc/36/87/24/210368724.db2.gz OZMRYYNVDYZHQC-UHFFFAOYSA-N -2 0 332.311 3.969 40 5 EHBBRL