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-])c1cnc(COc2ccc(S(=O)(=O)N3CCCC3)cc2)[n-]c1=O ZINC000226105142 570641568 /nfs/dbraw/zinc/64/15/68/570641568.db2.gz KQNNARLGUACETO-UHFFFAOYSA-N -2 1 379.394 0.832 40 0 GCABML O=C([O-])Cc1cnc(NS(=O)(=O)c2ccc(Br)cc2)[n-]c1=O ZINC000217389798 534507177 /nfs/dbraw/zinc/50/71/77/534507177.db2.gz AZHBHGYLBLTSMW-UHFFFAOYSA-N -2 1 388.199 0.960 40 0 GCABML O=C([O-])c1cnc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)[n-]c1=O ZINC000226105170 570641592 /nfs/dbraw/zinc/64/15/92/570641592.db2.gz IMLGDJWJIAJWAZ-UHFFFAOYSA-N -2 1 395.393 0.068 40 0 GCABML COc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000047948976 530453023 /nfs/dbraw/zinc/45/30/23/530453023.db2.gz PHUJFPZMUNOXCG-UHFFFAOYSA-N -2 1 386.407 0.842 40 0 GCABML