smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000443526735 1075885224 /nfs/dbraw/zinc/88/52/24/1075885224.db2.gz ABBRMWTUKYBYCR-UHFFFAOYSA-N -2 3 422.419 0.885 20 5 HCBDHL O=C1NC(=O)[C@@H](Cc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)N1 ZINC000539853270 1075494276 /nfs/dbraw/zinc/49/42/76/1075494276.db2.gz KRXSBWCHYSCHAX-GFCCVEGCSA-N -2 3 406.376 0.852 20 5 HCBDHL O=C1NC(=O)[C@H](Cc2ccc([N-]S(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2)N1 ZINC000539853271 1075494592 /nfs/dbraw/zinc/49/45/92/1075494592.db2.gz KRXSBWCHYSCHAX-LBPRGKRZSA-N -2 3 406.376 0.852 20 5 HCBDHL COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000603977062 1073674238 /nfs/dbraw/zinc/67/42/38/1073674238.db2.gz FOASDACNOSIFPJ-UHFFFAOYSA-N -2 3 423.403 0.933 20 5 HCBDHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000761402689 1075389343 /nfs/dbraw/zinc/38/93/43/1075389343.db2.gz VUPZEACTKTXOMZ-UHFFFAOYSA-N -2 3 420.201 0.626 20 5 HCBDHL