smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C(=O)[O-])C(=O)c1ccc([O-])cc1 71611123 166111477 /nfs/dbraw/zinc/11/14/77/166111477.db2.gz YASXTZFENFJJKU-UHFFFAOYSA-N -2 1 192.170 1.216 40 30 ADEBML O=[N+]([O-])c1ccc([O-])c(C=N[O-])c1 254871427 371737536 /nfs/dbraw/zinc/73/75/36/371737536.db2.gz DVBKBUGAIYQNOE-UHFFFAOYSA-N -2 1 182.135 1.109 40 30 ADEBML