smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C(=O)c2ccccc2)OCCO3)cc1 ZINC000004244695 569071120 /nfs/dbraw/zinc/07/11/20/569071120.db2.gz ATXWKJYQISBOKO-UHFFFAOYSA-N -1 0 409.463 3.798 30 10 HHCCRM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(C)o2)cc1OC ZINC000004244696 569071157 /nfs/dbraw/zinc/07/11/57/569071157.db2.gz ZVQHGCVNKJIQBL-UHFFFAOYSA-N -1 0 415.467 3.945 30 10 HHCCRM Cc1ccc(C(=O)c2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)cc2)OCCO3)o1 ZINC000004244693 569071113 /nfs/dbraw/zinc/07/11/13/569071113.db2.gz WGGBZCOOSYXGSB-UHFFFAOYSA-N -1 0 413.451 3.699 30 10 HHCCRM