smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)c1n[nH]c2c1CCCC2 ZINC000012547943 956903764 /nfs/dbraw/zinc/90/37/64/956903764.db2.gz HSFWLJLYSYGELN-UHFFFAOYSA-N -2 0 378.410 0.918 50 50 GCGARL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@@H]1COc2ccccc2O1 ZINC000012761727 956904243 /nfs/dbraw/zinc/90/42/43/956904243.db2.gz DGNZKMGVRAVRMU-AWEZNQCLSA-N -2 0 392.389 0.843 50 50 GCGARL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]NC(=O)[C@H]1COc2ccccc2O1 ZINC000012761730 956903547 /nfs/dbraw/zinc/90/35/47/956903547.db2.gz DGNZKMGVRAVRMU-CQSZACIVSA-N -2 0 392.389 0.843 50 50 GCGARL