smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2nc3c(c(Oc4ccc(F)cc4)n2)CN(Cc2ccc([N+](=O)[O-])cc2)CC3)CC1 ZINC000034755510 569655849 /nfs/dbraw/zinc/65/58/49/569655849.db2.gz YQWMPCFVVRAZRS-UHFFFAOYSA-N 1 1 478.528 3.626 10 5 JHBEMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)ccc1Cl ZINC000004287184 194386961 /nfs/dbraw/zinc/38/69/61/194386961.db2.gz MUPDRFKGMXBSQZ-UHFFFAOYSA-N 1 1 467.334 3.961 10 5 JHBEMO