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)Nc2cc3c(cc2C(=O)c2ccccc2)OCCO3)cc1 ZINC000004244695 569071121 /nfs/dbraw/zinc/07/11/21/569071121.db2.gz ATXWKJYQISBOKO-UHFFFAOYSA-N 0 1 409.463 3.798 30 10 HHCCMN COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(C)o2)cc1OC ZINC000004244696 569071158 /nfs/dbraw/zinc/07/11/58/569071158.db2.gz ZVQHGCVNKJIQBL-UHFFFAOYSA-N 0 1 415.467 3.945 30 10 HHCCMN Cc1ccc(C(=O)c2cc3c(cc2NS(=O)(=O)c2ccc(C)cc2)OCCO3)o1 ZINC000004244693 569071114 /nfs/dbraw/zinc/07/11/14/569071114.db2.gz WGGBZCOOSYXGSB-UHFFFAOYSA-N 0 1 413.451 3.699 30 10 HHCCMN