smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC1=C/C(=C/NNC(=O)C[N+](C)(C)C)C=CC1=O ZINC000004744337 717098385 /nfs/dbraw/zinc/09/83/85/717098385.db2.gz DQPFXDREIJZUQT-UHFFFAOYSA-O 1 0 266.321 -0.134 40 50 CBGBRO C[N+](C)(C)CC(=O)NN/C=C1/C=C([N+](=O)[O-])C=CC1=O ZINC000038175375 717126346 /nfs/dbraw/zinc/12/63/46/717126346.db2.gz OQRJBONLLGPMRW-UHFFFAOYSA-O 1 0 281.292 -0.503 40 50 CBGBRO