smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc([O-])c(Br)c2)co1 ZINC000160328513 530550958 /nfs/dbraw/zinc/55/09/58/530550958.db2.gz JPHSVMNNAUBWIT-UHFFFAOYSA-N -2 3 389.227 1.586 20 70 GDIDHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c(F)c1 ZINC000771839012 978743843 /nfs/dbraw/zinc/74/38/43/978743843.db2.gz CISCZQPBIYYUGF-UHFFFAOYSA-N -2 3 377.346 1.983 20 70 GDIDHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)c1 ZINC000771830752 978743950 /nfs/dbraw/zinc/74/39/50/978743950.db2.gz BXWGRDPJDAHIIG-UHFFFAOYSA-N -2 3 377.346 1.983 20 70 GDIDHL