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-])N1CCC[C@H]1CC(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000831340209 603514210 /nfs/dbraw/zinc/51/42/10/603514210.db2.gz SZEYAQCMJGDQIP-VIFPVBQESA-N -2 1 343.742 1.773 20 50 EDGDML C[C@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cc(F)ccc1Br ZINC000827303701 602147715 /nfs/dbraw/zinc/14/77/15/602147715.db2.gz IKIRPFXSQBSEBI-ZCFIWIBFSA-N -2 1 347.140 1.460 20 50 EDGDML CC(C)[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccc(Cl)cc1F ZINC000824137702 603513273 /nfs/dbraw/zinc/51/32/73/603513273.db2.gz ULXKUXJOXVUNDM-SNVBAGLBSA-N -2 1 331.731 1.532 20 50 EDGDML COc1cc(C)[n-]c(=NNC(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC000831972748 601108213 /nfs/dbraw/zinc/10/82/13/601108213.db2.gz QCAFPSHGIKUSKB-UHFFFAOYSA-N -2 1 332.316 1.014 20 50 EDGDML O=C([O-])N1CC[C@H](NC(=O)N[N-]C(=O)c2ccc(Cl)cc2F)C1 ZINC000831742591 603531428 /nfs/dbraw/zinc/53/14/28/603531428.db2.gz 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