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-])c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc32)c(C(=O)[O-])c1 ZINC000005030658 204105143 /nfs/dbraw/zinc/10/51/43/204105143.db2.gz VPMWLNJETPKSSC-UHFFFAOYSA-N -2 2 376.320 3.667 50 5 GHBALL O=C([O-])c1ccc(C(=O)[O-])c(-c2c3ccc(=O)cc-3oc3cc(O)ccc32)c1 ZINC000005248684 204121796 /nfs/dbraw/zinc/12/17/96/204121796.db2.gz YILMHDCPZJTMGI-UHFFFAOYSA-N -2 2 376.320 3.667 50 5 GHBALL