smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCCC1)C2 ZINC000032516073 556443913 /nfs/dbraw/zinc/44/39/13/556443913.db2.gz NUPIZZUFMJEFLG-JOCHJYFZSA-N 2 1 453.675 3.941 10 30 JHEEMP C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CC1([NH+]3CCCCC3)CCCC1)C2 ZINC000032516072 556443956 /nfs/dbraw/zinc/44/39/56/556443956.db2.gz NUPIZZUFMJEFLG-QFIPXVFZSA-N 2 1 453.675 3.941 10 30 JHEEMP