smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CC[NH+](C3CCCC3)CC2)nc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000095446215 569367390 /nfs/dbraw/zinc/36/73/90/569367390.db2.gz NRGJFMPHIQCLKX-UHFFFAOYSA-N 2 0 443.596 2.822 50 5 IFBARP