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-])CNC(=O)CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263993099 530077984 /nfs/dbraw/zinc/07/79/84/530077984.db2.gz IJKIDPNYPPNRCJ-UHFFFAOYSA-N -1 0 375.315 -1.155 20 5 GABDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(=O)NCC(=O)[O-] ZINC000273331180 530170241 /nfs/dbraw/zinc/17/02/41/530170241.db2.gz JSVLSZAODPJMIE-UHFFFAOYSA-N -1 0 375.315 -1.140 20 5 GABDRM NS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000273696249 530171509 /nfs/dbraw/zinc/17/15/09/530171509.db2.gz CKQSPJNUEVMRRV-UHFFFAOYSA-N -1 0 394.387 -1.197 20 5 GABDRM NC(=O)C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000274898339 530173106 /nfs/dbraw/zinc/17/31/06/530173106.db2.gz HKYRYQJYQMMOSZ-LURJTMIESA-N -1 0 375.315 -1.027 20 5 GABDRM NC(=O)C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-] ZINC000274898340 530173522 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