smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(-c2ccccc2[O-])nc2c1cnn2-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000045291028 207652105 /nfs/dbraw/zinc/65/21/05/207652105.db2.gz LNAMSNSSJILEAG-UHFFFAOYSA-N -1 1 394.303 2.710 1 5 GFBFMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN[C@@H](C(F)F)C3)cc1 ZINC000013687054 210078977 /nfs/dbraw/zinc/07/89/77/210078977.db2.gz WIGSIWARHLYNEU-OAHLLOKOSA-N -1 1 383.376 2.675 1 5 GFBFMM