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+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004859554 539393676 /nfs/dbraw/zinc/39/36/76/539393676.db2.gz QCTBWXPFXULVSH-UHFFFAOYSA-N 2 0 353.423 2.213 50 5 FEBARP C(CCCCC[N+]12CCN(CC1)CC2)CCCC[N+]12CCN(CC1)CC2 ZINC000059156977 540863756 /nfs/dbraw/zinc/86/37/56/540863756.db2.gz QDZCBATTWHAOIP-UHFFFAOYSA-N 2 0 364.622 2.399 50 5 FEBARP