smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)Cc1cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c1 ZINC000000056833 355882131 /nfs/dbraw/zinc/88/21/31/355882131.db2.gz AHDSRXYHVZECER-UHFFFAOYSA-N 1 3 265.401 1.577 50 10 CDCAHO CON=[N+](O)C(Cc1ccccc1F)N([O-])N=[O+]C ZINC000019324960 374717233 /nfs/dbraw/zinc/71/72/33/374717233.db2.gz UQPGDHMPKMVQPF-PMJBJKLVSA-N 1 3 272.236 1.742 50 10 CDCAHO CON=[N+](O)C(Cc1ccccc1F)N([O-])N=[O+]C ZINC000225397390 373040902 /nfs/dbraw/zinc/04/09/02/373040902.db2.gz OORZNQHPRHSLIG-UHFFFAOYSA-N 1 3 274.252 1.525 50 10 CDCAHO