smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(COc2ccc(C=NNC3=NCCCN3)cc2)c[n+]2cc(C(F)(F)F)ccc12 ZINC000026819672 563036789 /nfs/dbraw/zinc/03/67/89/563036789.db2.gz UCUSOWRUPKNQFZ-LUOAPIJWSA-N 1 3 431.442 2.634 1 30 IFEFHO CN(C)c1ccc(CN(CCC[NH2+]CCCC[NH3+])C(=O)CCCCCCC(=O)N[O-])cc1 ZINC000029052472 563073113 /nfs/dbraw/zinc/07/31/13/563073113.db2.gz QAUFUBUHMOIWCR-UHFFFAOYSA-N 1 3 449.640 2.646 1 30 IFEFHO