smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Nc2c3c([nH+]c4ccc(Cl)cc42)CCC3)cccc1[N+](=O)[O-] ZINC000004924224 204176926 /nfs/dbraw/zinc/17/69/26/204176926.db2.gz RVVQPXCJDZEUSG-UHFFFAOYSA-N 1 1 353.809 5.337 10 5 FKBEMO Cc1cc(Nc2cccc([N+](=O)[O-])c2C)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570850 205072622 /nfs/dbraw/zinc/07/26/22/205072622.db2.gz WNULWONEVZVAMJ-UHFFFAOYSA-N 1 1 361.323 5.522 10 5 FKBEMO Cc1cc(Nc2ccc([N+](=O)[O-])cc2C)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570915 205072703 /nfs/dbraw/zinc/07/27/03/205072703.db2.gz QZHYOEBGHGOWEA-UHFFFAOYSA-N 1 1 361.323 5.522 10 5 FKBEMO Cc1cc(Nc2ccc(F)c([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570918 208257071 /nfs/dbraw/zinc/25/70/71/208257071.db2.gz IOBAYJTVMDCPEK-UHFFFAOYSA-N 1 1 365.286 5.353 10 5 FKBEMO Cc1ccc(Nc2cc(C)[nH+]c3cc(C(F)(F)F)ccc23)c([N+](=O)[O-])c1 ZINC000040570924 205073026 /nfs/dbraw/zinc/07/30/26/205073026.db2.gz AQJBOJGNLUSPBO-UHFFFAOYSA-N 1 1 361.323 5.522 10 5 FKBEMO O=[N+]([O-])c1ccc(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)c(Cl)c1 ZINC000041054671 205087552 /nfs/dbraw/zinc/08/75/52/205087552.db2.gz LXAYGWOPHDNTAD-UHFFFAOYSA-N 1 1 367.714 5.559 10 5 FKBEMO