smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2oc3ccccc3c2Br)CC1 ZINC001474941585 1069312553 /nfs/dbraw/zinc/31/25/53/1069312553.db2.gz APGBARSHZWCBLV-UHFFFAOYSA-N -1 0 458.334 1.554 20 0 JDADRM Cn1[n-]c(Br)c2c(=NCCNS(=O)(=O)c3cc4ccccc4o3)ncnc1-2 ZINC001474942290 1069313270 /nfs/dbraw/zinc/31/32/70/1069313270.db2.gz BKALFQJFHJTEAK-UHFFFAOYSA-N -1 0 451.306 1.636 20 0 JDADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001474943769 1069314334 /nfs/dbraw/zinc/31/43/34/1069314334.db2.gz HBSBJKOEMJUHBW-KSSFIOAISA-N -1 0 454.524 1.629 20 0 JDADRM CCOC(=O)[C@@H]([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC001474943768 1069314824 /nfs/dbraw/zinc/31/48/24/1069314824.db2.gz HBSBJKOEMJUHBW-KDOFPFPSSA-N -1 0 454.524 1.629 20 0 JDADRM CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC001474970005 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