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(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005174239 559288390 /nfs/dbraw/zinc/28/83/90/559288390.db2.gz IDWANMCJXGCBMN-UHFFFAOYSA-N 0 1 409.785 5.014 10 5 HKBEMN C[NH+](C)[C@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-] ZINC000035575619 569045241 /nfs/dbraw/zinc/04/52/41/569045241.db2.gz RGLABPZDKNDTTA-LSQMVHIFSA-N 0 1 416.546 5.619 10 5 HKBEMN C[NH+](C)[C@H]1C(c2ccccc2)=C(c2ccccc2)S[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-] ZINC000035575626 569045278 /nfs/dbraw/zinc/04/52/78/569045278.db2.gz RGLABPZDKNDTTA-ARNLJNQMSA-N 0 1 416.546 5.619 10 5 HKBEMN