smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(-c2ccc(/C=N/c3cc([N+](=O)[O-])ccc3O)o2)ccc1Cl ZINC000035189345 570550691 /nfs/dbraw/zinc/55/06/91/570550691.db2.gz HCUGWDNECMELQK-AWQFTUOYSA-N -1 2 386.747 4.663 40 30 GJEBLM CCCCCCCCCCCCCCCCOC[C@H](O)CO[P@@](=O)([O-])O ZINC000059303553 520000561 /nfs/dbraw/zinc/00/05/61/520000561.db2.gz XLVRFPVHQPHXAA-IBGZPJMESA-N -1 2 396.505 4.955 40 30 in-vitro GJEBLM CCCCCCCCCCCCCCCCOC[C@H](O)CO[P@](=O)([O-])O ZINC000059303553 520000569 /nfs/dbraw/zinc/00/05/69/520000569.db2.gz XLVRFPVHQPHXAA-IBGZPJMESA-N -1 2 396.505 4.955 40 30 in-vitro GJEBLM O=[N+]([O-])c1cccc(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1[O-] ZINC000006864994 570497392 /nfs/dbraw/zinc/49/73/92/570497392.db2.gz ZCGKDSCSYPXRNW-SRZZPIQSSA-N -1 2 375.340 4.565 40 30 GJEBLM Cc1ccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4[O-])ccc3O)nc2c1 ZINC000013476654 524086112 /nfs/dbraw/zinc/08/61/12/524086112.db2.gz OHGNYEIAULVSHW-SSDVNMTOSA-N -1 2 389.367 4.873 40 30 GJEBLM