smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000004144116 204028821 /nfs/dbraw/zinc/02/88/21/204028821.db2.gz OENGFIWDYGDZHV-UHFFFAOYSA-N 2 0 381.480 2.327 50 5 GEBARP COc1cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000004989170 209554303 /nfs/dbraw/zinc/55/43/03/209554303.db2.gz GAZYDYLMCNNMDN-UHFFFAOYSA-N 2 0 382.505 2.317 50 5 GEBARP