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)cc-3oc3cc(O)ccc32)c1 ZINC000005030626 563519385 /nfs/dbraw/zinc/51/93/85/563519385.db2.gz VZBPGKIAWCMHSA-UHFFFAOYSA-N -1 2 332.311 3.969 40 5 EHBBLM Nc1ccc(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1 ZINC000005223920 564031719 /nfs/dbraw/zinc/03/17/19/564031719.db2.gz UTUYQGGHTUQHQQ-UHFFFAOYSA-N -1 2 347.326 3.551 40 5 biogenic,in-vitro EHBBLM Nc1ccc(C(=O)[O-])c(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c1 ZINC000003861469 210080551 /nfs/dbraw/zinc/08/05/51/210080551.db2.gz YHVSFLYWEAWYQT-UHFFFAOYSA-N -1 2 347.326 3.551 40 5 EHBBLM O=C([O-])c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc32)cc1 ZINC000005030632 210368726 /nfs/dbraw/zinc/36/87/26/210368726.db2.gz OZMRYYNVDYZHQC-UHFFFAOYSA-N -1 2 332.311 3.969 40 5 EHBBLM