smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccnc1[N-]c1ncnc([N-]c2cccnc2Cl)c1[N+](=O)[O-] ZINC000040626102 205074317 /nfs/dbraw/zinc/07/43/17/205074317.db2.gz QERSYKWVGZVGEN-UHFFFAOYSA-N -2 1 357.761 3.624 10 5 FHBEML O=[N+]([O-])c1c([N-]c2nc3ccccc3s2)ncnc1[N-]c1ccccn1 ZINC000040645316 208262037 /nfs/dbraw/zinc/26/20/37/208262037.db2.gz GXBBNGFUJICHLH-UHFFFAOYSA-N -2 1 365.378 3.877 10 5 FHBEML N=c1ccc2c(-c3ccc(C(=O)[O-])cc3C(=O)[O-])c3ccc(N)cc3oc-2c1 ZINC000036294262 208152082 /nfs/dbraw/zinc/15/20/82/208152082.db2.gz ONTCUDVUGYVDSS-UHFFFAOYSA-N -2 1 374.352 3.663 10 5 in-vitro FHBEML