smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1ccc(Oc2ccnc(-c3ncc(C(F)(F)F)[nH]3)c2)cc1[N+](=O)[O-] ZINC000089229012 208104630 /nfs/dbraw/zinc/10/46/30/208104630.db2.gz CQGJWPNMUUWFGQ-UHFFFAOYSA-N 0 1 379.298 4.233 10 5 GIBEMN CCC(=O)N(c1ccc(C)cc1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037587937 571034928 /nfs/dbraw/zinc/03/49/28/571034928.db2.gz HKJZRGCFUQHTSC-UHFFFAOYSA-N 0 1 381.476 4.311 10 5 GIBEMN