smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2)n1 ZINC000000683130 555538659 /nfs/dbraw/zinc/53/86/59/555538659.db2.gz MFLULDOMSOCTLS-UHFFFAOYSA-N -2 1 432.527 3.003 50 0 IGAAML O=C([O-])COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000006576814 562947322 /nfs/dbraw/zinc/94/73/22/562947322.db2.gz QRDNEVXKPVQSKQ-YTFSRNRJSA-N -2 1 444.443 3.201 50 0 IGAAML Cc1c(CC(=O)NC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(=O)oc2cc(O)cc([O-])c12 ZINC000008877909 569481280 /nfs/dbraw/zinc/48/12/80/569481280.db2.gz VWAVXMJQGMVOMG-CYBMUJFWSA-N -2 1 445.855 3.083 50 0 IGAAML COc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c(C(=O)[O-])cc1OC ZINC000012541911 522752669 /nfs/dbraw/zinc/75/26/69/522752669.db2.gz GQBSXHPXFJPXSG-UHFFFAOYSA-N -2 1 430.276 3.274 50 0 IGAAML COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCC(C)CC3)c(C(=O)[O-])c2)cc1Cl ZINC000035397335 525090606 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