smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCn1cc([N+](=O)[O-])c(=O)[n-]c1=O ZINC000001620672 387133587 /nfs/dbraw/zinc/13/35/87/387133587.db2.gz QMGQSEXXQZFJQA-UHFFFAOYSA-N -2 0 229.148 -1.081 40 5 BABBRL O=C([O-])Cn1cc([N+](=O)[O-])c(=O)[n-]c1=O ZINC000004298487 388398694 /nfs/dbraw/zinc/39/86/94/388398694.db2.gz YTIVWMOCZYRTFQ-UHFFFAOYSA-N -2 0 215.121 -1.471 40 5 BABBRL Nc1nc(C(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1 ZINC000004878841 344751438 /nfs/dbraw/zinc/75/14/38/344751438.db2.gz BXEPGHBAZNRZHO-UHFFFAOYSA-N -2 0 200.110 -1.042 40 5 BABBRL