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-])c1cc([N+](=O)[O-])cc2c1n[n-][n+]2[O-] ZINC000003330983 371957983 /nfs/dbraw/zinc/95/79/83/371957983.db2.gz ONWVRCAVJNJDKP-UHFFFAOYSA-N -2 3 224.132 -0.197 40 5 BBBBHL Cc1[n-]c(=O)c(C(N)=O)c([O-])c1[N+](=O)[O-] ZINC000095094164 384930763 /nfs/dbraw/zinc/93/07/63/384930763.db2.gz IXCKSXJZKIBMFY-UHFFFAOYSA-N -2 3 213.149 -0.604 40 5 BBBBHL