smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1Br ZINC000323010236 972707522 /nfs/dbraw/zinc/70/75/22/972707522.db2.gz GCVNAGYFHAPFRO-UHFFFAOYSA-N -2 0 420.668 3.616 20 10 HHCDRL CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1C(=O)[O-] ZINC000392884742 972858579 /nfs/dbraw/zinc/85/85/79/972858579.db2.gz KMDYHTOGJFETHI-UHFFFAOYSA-N -2 0 406.243 3.597 20 10 HHCDRL O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000318012324 972659213 /nfs/dbraw/zinc/65/92/13/972659213.db2.gz WSDJMMDGVSQPCB-UHFFFAOYSA-N -2 0 407.629 3.517 20 10 HHCDRL COc1cc(OC)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c(OC)c1 ZINC000137612561 969980277 /nfs/dbraw/zinc/98/02/77/969980277.db2.gz CTMVLSSTTZSTBK-UHFFFAOYSA-N -2 0 408.259 3.526 20 10 HHCDRL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1C ZINC000393078451 972860163 /nfs/dbraw/zinc/86/01/63/972860163.db2.gz KPWLGYRVTYQNQQ-UHFFFAOYSA-N -2 0 407.275 3.621 20 10 HHCDRL