smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=O)c2ccc(-c3cccs3)nc2C)c([O-])c1 ZINC000216875798 340485977 /nfs/dbraw/zinc/48/59/77/340485977.db2.gz XXTRTFXNFOVRCS-UHFFFAOYSA-N -1 3 324.405 4.385 20 70 DIIDHM Cc1ccc(NC(=O)c2cc(C)ccc2Br)c([O-])c1 ZINC000159568625 518189372 /nfs/dbraw/zinc/18/93/72/518189372.db2.gz JEWHMEUWZNBKGL-UHFFFAOYSA-N -1 3 320.186 4.024 20 70 DIIDHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000161047079 333789480 /nfs/dbraw/zinc/78/94/80/333789480.db2.gz YCWWLVMLWSHDCR-UHFFFAOYSA-N -1 3 316.209 4.103 20 70 DIIDHM Cc1ccc(-c2ccsc2C(=O)Nc2ncccc2[O-])cc1 ZINC000216836447 337233199 /nfs/dbraw/zinc/23/31/99/337233199.db2.gz FLKYDMFAUNAYIR-UHFFFAOYSA-N -1 3 310.378 4.076 20 70 DIIDHM