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-])/C=C\c1ccc(N2CCC[C@@H](CC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001601881572 1350389145 /nfs/dbraw/zinc/38/91/45/1350389145.db2.gz SPDHGOZKEFWENX-RNZFLTOJSA-N -2 0 334.328 2.384 20 10 EECDRL Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c(O)c1O ZINC000803408514 1240302879 /nfs/dbraw/zinc/30/28/79/1240302879.db2.gz IZPYKPUMZSMPRF-UHFFFAOYSA-N -2 0 326.312 2.149 20 10 EECDRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c([O-])c(F)c1 ZINC001198779342 1368645035 /nfs/dbraw/zinc/64/50/35/1368645035.db2.gz NYSZKODSPHLOPZ-UHFFFAOYSA-N -3 0 329.280 2.169 20 10 EECDRL COC[C@]1(C(=O)[O-])CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001599192464 997148279 /nfs/dbraw/zinc/14/82/79/997148279.db2.gz DKURWFLKRLUAJK-AWEZNQCLSA-N -2 0 344.751 2.019 20 10 EECDRL CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001609628584 1352045415 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